A0A096LNY5_HUMAN Loading...

Adenylosuccinate lyase

AlphaFold DB , UniProt , Accession A0A096LNY5, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 381 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
1M32Very low60.3Low240 Ų240103.7 Ų103.7100%1.18268%0.675SS**  0110.40-68.4-176.6-162.700106.3A3M1-A3 PolarHBondContact O-N 2.99Å
2A31.7Very low63.3Low92 Ų92102.3 Ų102.376%0.7667%0.669SS**  trans-63.7116.4-179.900000108.7G4A2-G4 PolarHBondContact O-N 2.85Å
3A36.7Very low65.8Low86 Ų86109.1 Ų109.171%0.71168%0.675SS**  trans-65.8102175.100000108.1M1 G5M1-A3 PolarHBondContact O-N 2.99Å; A3-G5 VanDerWaalsContact C-N 3.29Å; A3-G5 PolarHBondContact O-N 3.11Å
4G38.4Very low67.9Low75 Ų75107.9 Ų107.977%0.77365%0.652SS**  trans-6591.916800000108.7A2A2-G4 PolarHBondContact O-N 2.85Å
5G49.8Very low69.8Low41 Ų41103.7 Ų103.742%0.42363%0.629SS.*  trans-70146.6164.500000109.1A3 H7A3-G5 VanDerWaalsContact C-N 3.29Å; A3-G5 PolarHBondContact O-N 3.11Å; G5-H7 VanDerWaalsContact C-N 3.28Å; G5-H7 PolarHBondContact O-CD2 3.19Å; G5-H7 PolarHBondContact O-N 3.4Å
6D56.4Low71.4Confident159 Ų159100.9 Ų100.985%0.8561%0.614SS**  trans-62.195166.2-179.49000108.1G8D6-G8 PolarHBondContact O-N 2.98Å; D6-G8 PolarHBondContact OD1-N 2.77Å
7H63.1Low72.9Confident99 Ų99101.6 Ų101.646%0.45861%0.613SS.*  trans-77.68.9179.7-65.5-61.7000111.6G5 R14G5-H7 VanDerWaalsContact C-N 3.28Å; G5-H7 PolarHBondContact O-CD2 3.19Å; G5-H7 PolarHBondContact O-N 3.4Å; H7-R14 WeakPolarHBondContact O-CD 3.33Å; H7-R14 PolarHBondContact O-NH1 2.89Å
8G78.3Confident74Confident38 Ų3899.2 Ų99.239%0.39261%0.605SS.*  trans67.6171.9-173.900000113D6 R14D6-G8 PolarHBondContact O-N 2.98Å; D6-G8 PolarHBondContact OD1-N 2.77Å; G8-R14 PolarHBondContact O-NH1 2.98Å
9S89.6Confident75Confident62 Ų6295.9 Ų95.943%0.43459%0.587SS.*  trans-63.8136.5-179.4175.60000112.1D11 R14S9-D11 PolarHBondContact O-N 3.19Å; S9-D11 WeakPolarHBondContact OG-CB 3.49Å; S9-D11 PolarHBondContact OG-N 3.24Å; S9-D11 VanDerWaalsContact OG-N 3.13Å; S9-D11 PolarHBondContact OG-OD2 3.04Å; S9-R14 VanDerWaalsContact O-CD 3.32Å; S9-R14 WeakPolarHBondContact O-CD 3.47Å; S9-R14 PolarHBondContact O-NE 2.78Å
10P91.7Very high75.9Confident98 Ų9897.5 Ų97.564%0.63658%0.581SS**THydrogen-bonded Turntrans-69.2-12.7172.132-36.3000113.6S12P10-S12 PolarHBondContact O-N 3.2Å
11D95.9Very high76.8Confident151 Ų15199.9 Ų99.981%0.80758%0.581SS**THydrogen-bonded Turntrans-78.2-8.3-176.1-54.2-27.9000113.2S9S9-D11 PolarHBondContact O-N 3.19Å; S9-D11 WeakPolarHBondContact OG-CB 3.49Å; S9-D11 PolarHBondContact OG-N 3.24Å; S9-D11 VanDerWaalsContact OG-N 3.13Å; S9-D11 PolarHBondContact OG-OD2 3.04Å
12S96.3Very high79.9Confident86 Ų8690.5 Ų90.560%0.60154%0.542SS*.SBendtrans-121.9158.9177.1-171.50000111.3P10 R14P10-S12 PolarHBondContact O-N 3.2Å; S12-R14 PolarHBondContact O-N 3.17Å
13Y95.3Very high83Confident191 Ų19187.5 Ų87.575%0.74952%0.515SS*.  trans-57.8135.4173165.5-99000110.5
14R94.7Very high85.8Confident93 Ų9387.5 Ų87.535%0.35151%0.508SS..  trans-134.1136.9175.3-64.4179.8-71.3160.43.1109.6H7 G8 S9 S12H7-R14 WeakPolarHBondContact O-CD 3.33Å; H7-R14 PolarHBondContact O-NH1 2.89Å; G8-R14 PolarHBondContact O-NH1 2.98Å; S9-R14 VanDerWaalsContact O-CD 3.32Å; S9-R14 WeakPolarHBondContact O-CD 3.47Å; S9-R14 PolarHBondContact O-NE 2.78Å; S12-R14 PolarHBondContact O-N 3.17Å
15S96.4Very high88.6Confident44 Ų4488.9 Ų88.931%0.30849%0.494SS..  trans-63.7126.9175.1177.90000110.1L17 A18 S19S15-L17 PolarHBondContact O-N 2.84Å; S15-L17 PolarHBondContact OG-N 2.75Å; S15-A18 PolarHBondContact O-N 3.4Å; S15-A18 VanDerWaalsContact O-N 3.08Å; S15-S19 PolarHBondContact O-N 3.33Å; S15-S19 PolarHBondContact O-OG 3.43Å
16P96.4Very high91Very high59 Ų5988.3 Ų88.338%0.38348%0.481SS..Hα-helixtrans-66.4-20.4176.829.5-35.9000112A18 R20 Y21P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.24Å; P16-R20 WeakPolarHBondContact O-CA 3.42Å; P16-R20 VanDerWaalsContact O-CB 3.26Å; P16-R20 WeakPolarHBondContact O-CB 3.28Å; P16-R20 PolarHBondContact O-N 2.93Å; P16-Y21 HydrophobicContact CB-CD2 4.12Å; P16-Y21 HydrophobicContact CB-CE2 3.81Å; P16-Y21 HydrophobicContact CG-CE2 4.49Å; P16-Y21 WeakPolarHBondContact O-CD2 3.48Å; P16-Y21 PolarHBondContact O-N 3.2Å; P16-Y21 VanDerWaalsContact O-N 3.1Å
17L95.9Very high92.9Very high114 Ų11482.8 Ų82.860%0.59746%0.455SS*.Iπ-helixtrans-58.8-44.8171.2-62176.8000110.5S15 A22S15-L17 PolarHBondContact O-N 2.84Å; S15-L17 PolarHBondContact OG-N 2.75Å; L17-A22 WeakPolarHBondContact O-CB 3.26Å; L17-A22 PolarHBondContact O-N 3.06Å
18A93.5Very high94.6Very high57 Ų5782.9 Ų82.947%0.47145%0.454SS..Iπ-helixtrans-82.5-41-17900000113.1S15 P16S15-A18 PolarHBondContact O-N 3.4Å; S15-A18 VanDerWaalsContact O-N 3.08Å; P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.24Å
19S92.5Very high95.6Very high37 Ų3781.7 Ų81.726%0.25944%0.439SS..Iπ-helixtrans-85.1-13.5-173.1650000114.4S15S15-S19 PolarHBondContact O-N 3.33Å; S15-S19 PolarHBondContact O-OG 3.43Å
20R93.2Very high96Very high128 Ų12884.3 Ų84.348%0.48344%0.443SS..Iπ-helixtrans-136.3-43.8-170.5-165.9175174.680.22.7114.7P16 L381P16-R20 WeakPolarHBondContact O-CA 3.42Å; P16-R20 VanDerWaalsContact O-CB 3.26Å; P16-R20 WeakPolarHBondContact O-CB 3.28Å; P16-R20 PolarHBondContact O-N 2.93Å; R20-L381 HydrophobicContact CG-CD2 3.38Å; R20-L381 VanDerWaalsContact O-CD2 3.31Å; R20-L381 WeakPolarHBondContact O-CD2 3.44Å
21Y95.1Very high96.3Very high147 Ų14781.2 Ų81.258%0.57642%0.423SS*.Iπ-helixtrans-109.2-47.1-162.2-59.5-57.9000115.9P16P16-Y21 HydrophobicContact CB-CD2 4.12Å; P16-Y21 HydrophobicContact CB-CE2 3.81Å; P16-Y21 HydrophobicContact CG-CE2 4.49Å; P16-Y21 WeakPolarHBondContact O-CD2 3.48Å; P16-Y21 PolarHBondContact O-N 3.2Å; P16-Y21 VanDerWaalsContact O-N 3.1Å
22A95.9Very high96.5Very high44 Ų4478.7 Ų78.736%0.36441%0.41SS..SBendtrans-75.7151.3-17200000111.3L17L17-A22 WeakPolarHBondContact O-CB 3.26Å; L17-A22 PolarHBondContact O-N 3.06Å
23S96.9Very high96.6Very high28 Ų2879.7 Ų79.720%0.19640%0.4CS..  trans-74.3150.7179.279.20000111.1E25 M26 C27 K134S23-E25 WeakPolarHBondContact CB-OE2 3.37Å; S23-E25 PolarHBondContact O-N 3.27Å; S23-E25 VanDerWaalsContact O-N 3.13Å; S23-E25 PolarHBondContact OG-OE2 3.47Å; S23-M26 PolarHBondContact O-N 3.01Å; S23-C27 PolarHBondContact O-N 3.07Å; S23-K134 PolarHBondContact OG-NZ 2.97Å
24P96.6Very high96.7Very high87 Ų8772 Ų7257%0.56537%0.37SS*.Hα-helixtrans-54.1-35.8-178.2-27.435.5000113.7C27 F28P24-C27 PolarHBondContact O-N 2.86Å; P24-F28 WeakPolarHBondContact O-CB 3.35Å; P24-F28 PolarHBondContact O-N 2.72Å
25E97.9Very high96.9Very high103 Ų10370 Ų7048%0.48136%0.364SS..Hα-helixtrans-66.9-39.7-179.6-4876.8-167.600111.5S23 F28 V29 L130S23-E25 WeakPolarHBondContact CB-OE2 3.37Å; S23-E25 PolarHBondContact O-N 3.27Å; S23-E25 VanDerWaalsContact O-N 3.13Å; S23-E25 PolarHBondContact OG-OE2 3.47Å; E25-F28 PolarHBondContact O-N 3.21Å; E25-V29 WeakPolarHBondContact O-CG2 3.5Å; E25-V29 PolarHBondContact O-N 3.38Å; E25-V29 VanDerWaalsContact O-N 3.11Å; E25-L130 HydrophobicContact CB-CD1 4.18Å; E25-L130 HydrophobicContact CB-CD2 4.22Å
26M98.5Very high97Very high29 Ų2968.6 Ų68.614%0.14335%0.353CS..Hα-helixtrans-70.2-43.4176.7-170.663.273.400110.7S23 F28 V29 F30 A127 L130 L131S23-M26 PolarHBondContact O-N 3.01Å; M26-F28 VanDerWaalsContact C-N 3.27Å; M26-F28 PolarHBondContact O-N 3.21Å; M26-V29 PolarHBondContact O-N 3.35Å; M26-F30 HydrophobicContact CG-CD2 4.39Å; M26-F30 HydrophobicContact CG-CE2 4.46Å; M26-F30 WeakPolarHBondContact O-CD2 3.25Å; M26-F30 PolarHBondContact O-N 2.97Å; M26-F30 HydrophobicContact SD-CD2 4.09Å; M26-F30 HydrophobicContact SD-CE2 3.71Å; M26-A127 HydrophobicContact CE-CB 4.27Å; M26-A127 HydrophobicContact SD-CB 3.81Å; M26-L130 HydrophobicContact CE-CB 3.71Å; M26-L130 HydrophobicContact CE-CD1 4.04Å; M26-L130 HydrophobicContact SD-CD1 4.18Å; M26-L131 HydrophobicContact CE-CD2 3.97Å; M26-L131 HydrophobicContact CE-CG 3.96Å
27C98Very high97.1Very high43 Ų4369.1 Ų69.129%0.29135%0.347SS..Hα-helixtrans-58.5-40.6174.3-67.40000111.8S23 P24 F30 S31S23-C27 PolarHBondContact O-N 3.07Å; P24-C27 PolarHBondContact O-N 2.86Å; C27-F30 CarbonylContact O-C 3.53Å; C27-F30 PolarHBondContact O-N 3.48Å; C27-S31 PolarHBondContact O-N 2.85Å; C27-S31 VanDerWaalsContact O-N 3.1Å
28F98.4Very high97.3Very high102 Ų10263.9 Ų63.945%0.44732%0.32SS..Hα-helixtrans-65.3-43.1178.1179.7-106000112.5P24 E25 M26 F30 S31 Y34P24-F28 WeakPolarHBondContact O-CB 3.35Å; P24-F28 PolarHBondContact O-N 2.72Å; E25-F28 PolarHBondContact O-N 3.21Å; M26-F28 VanDerWaalsContact C-N 3.27Å; M26-F28 PolarHBondContact O-N 3.21Å; F28-F30 PolarHBondContact O-N 3.38Å; F28-S31 VanDerWaalsContact O-CB 3.27Å; F28-S31 WeakPolarHBondContact O-CB 3.42Å; F28-S31 PolarHBondContact O-N 3.33Å; F28-S31 PolarHBondContact O-OG 2.9Å; F28-Y34 HydrophobicContact CD1-CD2 4.19Å; F28-Y34 AromaticContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CE2 4.2Å; F28-Y34 HydrophobicContact CE1-CG 4.33Å; F28-Y34 AromaticContact CZ-CD2 3.96Å; F28-Y34 HydrophobicContact CZ-CD2 3.96Å; F28-Y34 WeakPolarHBondContact O-CB 3.3Å
29V98.6Very high97.5Very high13 Ų1361.4 Ų61.48%0.07930%0.298CS..Hα-helixtrans-58-34177.21650000112.1E25 M26 Y34 I123 N126 L130E25-V29 WeakPolarHBondContact O-CG2 3.5Å; E25-V29 PolarHBondContact O-N 3.38Å; E25-V29 VanDerWaalsContact O-N 3.11Å; M26-V29 PolarHBondContact O-N 3.35Å; V29-Y34 WeakPolarHBondContact O-CD1 3.15Å; V29-I123 HydrophobicContact CG1-CB 4.41Å; V29-I123 HydrophobicContact CG1-CG2 3.92Å; V29-N126 HydrophobicContact CG1-CB 4.31Å; V29-N126 HydrophobicContact CG2-CB 4.46Å; V29-L130 HydrophobicContact CG2-CD1 3.86Å
30F98.6Very high97.8Very high117 Ų11759.7 Ų59.751%0.51329%0.286SS..THydrogen-bonded Turntrans-9610.7176-72-83.1000114M26 C27 F28 I123 A127M26-F30 HydrophobicContact CG-CD2 4.39Å; M26-F30 HydrophobicContact CG-CE2 4.46Å; M26-F30 WeakPolarHBondContact O-CD2 3.25Å; M26-F30 PolarHBondContact O-N 2.97Å; M26-F30 HydrophobicContact SD-CD2 4.09Å; M26-F30 HydrophobicContact SD-CE2 3.71Å; C27-F30 CarbonylContact O-C 3.53Å; C27-F30 PolarHBondContact O-N 3.48Å; F28-F30 PolarHBondContact O-N 3.38Å; F30-I123 HydrophobicContact CD1-CG2 3.58Å; F30-I123 HydrophobicContact CE1-CG2 3.27Å; F30-I123 HydrophobicContact CE2-CG2 4.26Å; F30-I123 HydrophobicContact CG-CG2 4.21Å; F30-I123 HydrophobicContact CZ-CG2 3.65Å; F30-A127 HydrophobicContact CE2-CB 3.8Å; F30-A127 HydrophobicContact CZ-CB 4Å
31S98.5Very high98.1Very high32 Ų3255.3 Ų55.322%0.22427%0.271CS..SBendtrans-78.4150.4179.371.50000112.1C27 F28 R33 Y34 K35C27-S31 PolarHBondContact O-N 2.85Å; C27-S31 VanDerWaalsContact O-N 3.1Å; F28-S31 VanDerWaalsContact O-CB 3.27Å; F28-S31 WeakPolarHBondContact O-CB 3.42Å; F28-S31 PolarHBondContact O-N 3.33Å; F28-S31 PolarHBondContact O-OG 2.9Å; S31-R33 PolarHBondContact O-N 3.21Å; S31-Y34 PolarHBondContact O-N 3.16Å; S31-Y34 WeakPolarHBondContact OG-CB 3.45Å; S31-Y34 PolarHBondContact OG-N 3.34Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; S31-K35 PolarHBondContact O-N 3.09Å
32D98.4Very high98.3Very high98 Ų9848.3 Ų48.352%0.52424%0.244SC..Hα-helixtrans-58.7-36.8172.9-75-42.8000112.2Y34 K35 F36 F74D32-Y34 VanDerWaalsContact C-N 3.33Å; D32-Y34 PolarHBondContact O-N 3.37Å; D32-K35 PolarHBondContact O-N 3.16Å; D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.78Å; D32-F36 WeakPolarHBondContact O-CD2 3.29Å; D32-F36 PolarHBondContact O-N 3.28Å; D32-F74 HydrophobicContact CB-CE1 4.15Å
33R98.4Very high98.4Very high107 Ų10746.4 Ų46.440%0.40423%0.227SC..Hα-helixtrans-56.2-48.4173.5177.4161.1-73.3-78.9-0.2111.1S31 R37 E70 F74S31-R33 PolarHBondContact O-N 3.21Å; R33-R37 WeakPolarHBondContact O-CB 3.35Å; R33-R37 WeakPolarHBondContact O-CG 3.34Å; R33-R37 PolarHBondContact O-N 3.44Å; R33-R37 VanDerWaalsContact O-N 3.12Å; R33-E70 PolarHBondContact NH1-O 3Å; R33-E70 VanDerWaalsContact NH1-O 3.17Å; R33-F74 HydrophobicContact CB-CZ 4.46Å
34Y98.8Very high98.5Very high29 Ų2945.1 Ų45.111%0.11422%0.218CC..Hα-helixtrans-67.8-38.2178-169.3-100000112.8F28 V29 S31 D32 R37 T38 I123 N126F28-Y34 HydrophobicContact CD1-CD2 4.19Å; F28-Y34 AromaticContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CE2 4.2Å; F28-Y34 HydrophobicContact CE1-CG 4.33Å; F28-Y34 AromaticContact CZ-CD2 3.96Å; F28-Y34 HydrophobicContact CZ-CD2 3.96Å; F28-Y34 WeakPolarHBondContact O-CB 3.3Å; V29-Y34 WeakPolarHBondContact O-CD1 3.15Å; S31-Y34 PolarHBondContact O-N 3.16Å; S31-Y34 WeakPolarHBondContact OG-CB 3.45Å; S31-Y34 PolarHBondContact OG-N 3.34Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; D32-Y34 VanDerWaalsContact C-N 3.33Å; D32-Y34 PolarHBondContact O-N 3.37Å; Y34-R37 WeakPolarHBondContact O-CG 3.39Å; Y34-T38 VanDerWaalsContact O-CB 3.25Å; Y34-T38 WeakPolarHBondContact O-CB 3.3Å; Y34-T38 PolarHBondContact O-N 2.83Å; Y34-T38 VanDerWaalsContact O-N 3.16Å; Y34-T38 PolarHBondContact O-OG1 2.93Å; Y34-I123 HydrophobicContact CD1-CD1 4.49Å; Y34-I123 HydrophobicContact CD1-CG1 4.05Å; Y34-I123 HydrophobicContact CE1-CG1 4.03Å; Y34-N126 PolarHBondContact OH-ND2 3.26Å
35K98.8Very high98.6Very high51 Ų5143.2 Ų43.222%0.22220%0.2CC..Hα-helixtrans-58.8-57.5174.8178.3-173.7172.3-171.80111.4S31 D32 T38 W39 T119S31-K35 PolarHBondContact O-N 3.09Å; D32-K35 PolarHBondContact O-N 3.16Å; K35-T38 WeakPolarHBondContact O-CA 3.47Å; K35-T38 WeakPolarHBondContact O-CB 3.4Å; K35-T38 PolarHBondContact O-N 3.15Å; K35-T38 VanDerWaalsContact O-N 3.1Å; K35-W39 VanDerWaalsContact O-CD1 3.23Å; K35-W39 PolarHBondContact O-N 2.85Å; K35-T119 HydrophobicContact CG-CG2 4.27Å
36F98.8Very high98.7Very high16 Ų1638.4 Ų38.47%0.0718%0.177CC..Hα-helixtrans-76.1-29.7-170.9-63.1-59.7000113.7D32 T38 W39 R40 I72 F74 H91D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.78Å; D32-F36 WeakPolarHBondContact O-CD2 3.29Å; D32-F36 PolarHBondContact O-N 3.28Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-T38 PolarHBondContact O-N 3.46Å; F36-W39 AromaticContact CD1-CD2 3.96Å; F36-W39 HydrophobicContact CD1-CD2 3.96Å; F36-W39 AromaticContact CD1-CE3 3.63Å; F36-W39 HydrophobicContact CD1-CE3 3.63Å; F36-W39 HydrophobicContact CD1-CH2 4.38Å; F36-W39 AromaticContact CD1-CZ3 3.82Å; F36-W39 HydrophobicContact CD1-CZ3 3.82Å; F36-W39 HydrophobicContact CE1-CD2 4.41Å; F36-W39 AromaticContact CE1-CE3 3.93Å; F36-W39 HydrophobicContact CE1-CE3 3.93Å; F36-W39 AromaticContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CZ2 4.41Å; F36-W39 AromaticContact CE1-CZ3 3.6Å; F36-W39 HydrophobicContact CE1-CZ3 3.6Å; F36-W39 WeakPolarHBondContact O-CB 3.36Å; F36-W39 PolarHBondContact O-N 2.91Å; F36-R40 PolarHBondContact O-N 3.47Å; F36-R40 VanDerWaalsContact O-N 3.15Å; F36-I72 HydrophobicContact CB-CD1 3.92Å; F36-F74 HydrophobicContact CD2-CD1 4.47Å; F36-F74 AromaticContact CD2-CE1 3.55Å; F36-F74 HydrophobicContact CD2-CE1 3.55Å; F36-F74 HydrophobicContact CD2-CZ 4.18Å; F36-F74 AromaticContact CE2-CE1 3.98Å; F36-F74 HydrophobicContact CE2-CE1 3.98Å; F36-H91 AromaticContact CD1-CD2 3.72Å; F36-H91 AromaticContact CD1-CE1 3.36Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.22Å; F36-H91 AromaticContact CD1-CG 3.81Å; F36-H91 AromaticContact CD1-ND1 3.6Å; F36-H91 AromaticContact CD1-NE2 3.43Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.38Å; F36-H91 AromaticContact CD2-CE1 3.71Å; F36-H91 AromaticContact CD2-NE2 3.94Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 VanDerWaalsContact CE1-CD2 3.5Å; F36-H91 WeakPolarHBondContact CE1-CD2 3.46Å; F36-H91 AromaticContact CE1-CE1 3.71Å; F36-H91 AromaticContact CE1-NE2 3.25Å; F36-H91 VanDerWaalsContact CE1-NE2 3.25Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.35Å; F36-H91 AromaticContact CE2-NE2 3.78Å; F36-H91 AromaticContact CG-CE1 3.35Å; F36-H91 WeakPolarHBondContact CG-CE1 2.9Å; F36-H91 AromaticContact CG-ND1 3.83Å; F36-H91 AromaticContact CG-NE2 3.77Å; F36-H91 AromaticContact CZ-NE2 3.43Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.48Å
37R98.7Very high98.7Very high70 Ų7037.1 Ų37.126%0.26417%0.171SC..Hα-helixtrans-65.6-32.7167.365.888.479177.91.9111.5R33 Y34 R40 Q41 E70 I72R33-R37 WeakPolarHBondContact O-CB 3.35Å; R33-R37 WeakPolarHBondContact O-CG 3.34Å; R33-R37 PolarHBondContact O-N 3.44Å; R33-R37 VanDerWaalsContact O-N 3.12Å; Y34-R37 WeakPolarHBondContact O-CG 3.39Å; R37-R40 PolarHBondContact O-N 2.84Å; R37-Q41 WeakPolarHBondContact O-CB 3.29Å; R37-Q41 PolarHBondContact O-N 3.47Å; R37-E70 IonicContact CZ-OE1 3.06Å; R37-E70 IonicContact NE-OE1 3.3Å; R37-E70 PolarHBondContact NE-OE1 3.5Å; R37-E70 IonicContact NE-OE2 3.62Å; R37-E70 IonicContact NH2-OE1 3.05Å; R37-E70 PolarHBondContact NH2-OE1 2.91Å; R37-I72 HydrophobicContact CB-CD1 4.01Å
38T98.9Very high98.8Very high4 Ų436.4 Ų36.43%0.02516%0.164CC..Hα-helixtrans-72.5-34.8176.6-57.50000111.4Y34 K35 F36 R40 Q41 L42 T119 I122Y34-T38 VanDerWaalsContact O-CB 3.25Å; Y34-T38 WeakPolarHBondContact O-CB 3.3Å; Y34-T38 PolarHBondContact O-N 2.83Å; Y34-T38 VanDerWaalsContact O-N 3.16Å; Y34-T38 PolarHBondContact O-OG1 2.93Å; K35-T38 WeakPolarHBondContact O-CA 3.47Å; K35-T38 WeakPolarHBondContact O-CB 3.4Å; K35-T38 PolarHBondContact O-N 3.15Å; K35-T38 VanDerWaalsContact O-N 3.1Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-T38 PolarHBondContact O-N 3.46Å; T38-R40 PolarHBondContact O-N 3.07Å; T38-Q41 WeakPolarHBondContact O-CB 3.35Å; T38-Q41 PolarHBondContact O-N 2.74Å; T38-L42 HydrophobicContact CG2-CD1 4.32Å; T38-L42 WeakPolarHBondContact O-CG 3.42Å; T38-L42 PolarHBondContact O-N 2.93Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; T38-I122 HydrophobicContact CG2-CD1 3.89Å
39W98.9Very high98.8Very high4 Ų431.6 Ų31.62%0.01514%0.142CC..Hα-helixtrans-58.1-48.1169.6-72.716.2000111.5K35 F36 Q41 L42 W43 D87 V88 H91 V115K35-W39 VanDerWaalsContact O-CD1 3.23Å; K35-W39 PolarHBondContact O-N 2.85Å; F36-W39 AromaticContact CD1-CD2 3.96Å; F36-W39 HydrophobicContact CD1-CD2 3.96Å; F36-W39 AromaticContact CD1-CE3 3.63Å; F36-W39 HydrophobicContact CD1-CE3 3.63Å; F36-W39 HydrophobicContact CD1-CH2 4.38Å; F36-W39 AromaticContact CD1-CZ3 3.82Å; F36-W39 HydrophobicContact CD1-CZ3 3.82Å; F36-W39 HydrophobicContact CE1-CD2 4.41Å; F36-W39 AromaticContact CE1-CE3 3.93Å; F36-W39 HydrophobicContact CE1-CE3 3.93Å; F36-W39 AromaticContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CZ2 4.41Å; F36-W39 AromaticContact CE1-CZ3 3.6Å; F36-W39 HydrophobicContact CE1-CZ3 3.6Å; F36-W39 WeakPolarHBondContact O-CB 3.36Å; F36-W39 PolarHBondContact O-N 2.91Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.49Å; W39-L42 PolarHBondContact O-N 3.38Å; W39-W43 HydrophobicContact CB-CE3 4.39Å; W39-W43 HydrophobicContact CB-CH2 4.2Å; W39-W43 HydrophobicContact CB-CZ3 3.98Å; W39-W43 HydrophobicContact CE3-CH2 4.09Å; W39-W43 PolarHBondContact O-N 3.07Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.32Å; W39-V88 HydrophobicContact CE3-CG2 4.43Å; W39-V88 HydrophobicContact CH2-CB 4.36Å; W39-V88 HydrophobicContact CH2-CG2 3.42Å; W39-V88 VanDerWaalsContact CH2-CG2 3.42Å; W39-V88 HydrophobicContact CZ2-CG2 4.05Å; W39-V88 HydrophobicContact CZ3-CB 4.14Å; W39-V88 HydrophobicContact CZ3-CG2 3.66Å; W39-H91 HydrophobicContact CE3-CB 4.07Å; W39-H91 HydrophobicContact CZ3-CB 4.19Å; W39-V115 HydrophobicContact CB-CB 4.03Å; W39-V115 HydrophobicContact CB-CG1 4.29Å; W39-V115 HydrophobicContact CD2-CB 3.97Å; W39-V115 HydrophobicContact CD2-CG2 3.7Å; W39-V115 HydrophobicContact CE3-CG2 4.03Å; W39-V115 HydrophobicContact CG-CB 3.68Å; W39-V115 HydrophobicContact CG-CG1 4.46Å; W39-V115 HydrophobicContact CG-CG2 3.97Å; W39-V115 HydrophobicContact CZ2-CG2 4.38Å; W39-V115 PolarHBondContact NE1-O 3.38Å
40R98.9Very high98.8Very high1 Ų131 Ų310%0.00414%0.139CC..Hα-helixtrans-60.9-40.3175.2-67.5-177175.2-162.52.9112.6F36 R37 T38 L42 W43 L44 N68 L69 N71 F95F36-R40 PolarHBondContact O-N 3.47Å; F36-R40 VanDerWaalsContact O-N 3.15Å; R37-R40 PolarHBondContact O-N 2.84Å; T38-R40 PolarHBondContact O-N 3.07Å; R40-L42 PolarHBondContact O-N 3.49Å; R40-W43 HydrophobicContact CG-CE3 4.21Å; R40-W43 HydrophobicContact CG-CZ3 4.29Å; R40-W43 PolarHBondContact O-N 3.35Å; R40-L44 WeakPolarHBondContact O-CB 3.43Å; R40-L44 PolarHBondContact O-N 2.96Å; R40-N68 PolarHBondContact NH1-O 3.1Å; R40-L69 HydrophobicContact CB-CD2 3.78Å; R40-L69 WeakPolarHBondContact CD-O 3.38Å; R40-N71 VanDerWaalsContact NH1-C 3.3Å; R40-N71 PolarHBondContact NH1-O 2.94Å; R40-N71 PolarHBondContact NH2-O 3.23Å; R40-F95 HydrophobicContact CB-CD1 4.4Å; R40-F95 HydrophobicContact CB-CE1 3.91Å; R40-F95 HydrophobicContact CB-CE2 4.35Å; R40-F95 HydrophobicContact CB-CZ 3.88Å; R40-F95 HydrophobicContact CG-CD1 3.83Å; R40-F95 HydrophobicContact CG-CD2 3.99Å; R40-F95 HydrophobicContact CG-CE1 3.83Å; R40-F95 HydrophobicContact CG-CE2 3.99Å; R40-F95 HydrophobicContact CG-CG 3.91Å; R40-F95 HydrophobicContact CG-CZ 3.91Å; R40-F95 VanDerWaalsContact NE-CD2 3.34Å
41Q98.9Very high98.8Very high37 Ų3728 Ų2817%0.17313%0.126CC..Hα-helixtrans-63-40.6175.6-175.861.680.900112.4R37 T38 W39 L44 W45R37-Q41 WeakPolarHBondContact O-CB 3.29Å; R37-Q41 PolarHBondContact O-N 3.47Å; T38-Q41 WeakPolarHBondContact O-CB 3.35Å; T38-Q41 PolarHBondContact O-N 2.74Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.49Å; Q41-L44 PolarHBondContact O-N 3.41Å; Q41-W45 HydrophobicContact CG-CD2 4.06Å; Q41-W45 HydrophobicContact CG-CE3 4.3Å; Q41-W45 HydrophobicContact CG-CH2 3.67Å; Q41-W45 HydrophobicContact CG-CZ2 3.41Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.41Å; Q41-W45 HydrophobicContact CG-CZ3 4.11Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.32Å; Q41-W45 PolarHBondContact O-N 2.73Å
42L98.9Very high98.8Very high0 Ų031 Ų310%014%0.143CC..Hα-helixtrans-66.8-41.1176-74.3163.7000111.7T38 W39 R40 L44 W45 L46 Y114 V115 N118 T119 I122 F195T38-L42 HydrophobicContact CG2-CD1 4.32Å; T38-L42 WeakPolarHBondContact O-CG 3.42Å; T38-L42 PolarHBondContact O-N 2.93Å; W39-L42 PolarHBondContact O-N 3.38Å; R40-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-W45 HydrophobicContact CD2-CE3 3.88Å; L42-W45 HydrophobicContact CD2-CZ3 4Å; L42-W45 HydrophobicContact CG-CE3 4.48Å; L42-W45 PolarHBondContact O-N 3.01Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 2.88Å; L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 WeakPolarHBondContact O-CE1 3.33Å; L42-Y114 PolarHBondContact O-OH 3.06Å; L42-V115 HydrophobicContact CB-CG1 4.17Å; L42-V115 HydrophobicContact CD1-CB 4.49Å; L42-N118 HydrophobicContact CD1-CB 3.89Å; L42-N118 HydrophobicContact CD2-CB 4.03Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.47Å; L42-I122 HydrophobicContact CD2-CD1 4.35Å; L42-F195 HydrophobicContact CD2-CZ 3.87Å
43W98.9Very high98.8Very high3 Ų327 Ų271%0.01112%0.122CC..Hα-helixtrans-63.1-39.9172.8-73.1-48.6000112.1W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115W39-W43 HydrophobicContact CB-CE3 4.39Å; W39-W43 HydrophobicContact CB-CH2 4.2Å; W39-W43 HydrophobicContact CB-CZ3 3.98Å; W39-W43 HydrophobicContact CE3-CH2 4.09Å; W39-W43 PolarHBondContact O-N 3.07Å; R40-W43 HydrophobicContact CG-CE3 4.21Å; R40-W43 HydrophobicContact CG-CZ3 4.29Å; R40-W43 PolarHBondContact O-N 3.35Å; W43-L46 WeakPolarHBondContact O-CB 3.49Å; W43-L46 PolarHBondContact O-N 3.04Å; W43-A47 PolarHBondContact O-N 3.37Å; W43-M65 VanDerWaalsContact C-CE 3.46Å; W43-M65 HydrophobicContact CB-CE 3.8Å; W43-M65 WeakPolarHBondContact O-CE 3.46Å; W43-V88 HydrophobicContact CZ2-CG1 3.92Å; W43-H91 HydrophobicContact CH2-CB 4.03Å; W43-H91 HydrophobicContact CZ3-CB 4.43Å; W43-V92 HydrophobicContact CH2-CG2 3.82Å; W43-V92 HydrophobicContact CZ2-CG2 3.36Å; W43-F95 AromaticContact CE3-CD1 3.76Å; W43-F95 HydrophobicContact CE3-CD1 3.76Å; W43-F95 HydrophobicContact CE3-CE1 4.28Å; W43-F95 HydrophobicContact CZ3-CD1 4.33Å; W43-I106 HydrophobicContact CB-CG2 4.5Å; W43-I106 HydrophobicContact CD2-CG2 3.93Å; W43-I106 HydrophobicContact CE3-CG2 4.3Å; W43-I106 HydrophobicContact CG-CG2 4Å; W43-H107 AromaticContact CD1-ND1 3.89Å; W43-H107 AromaticContact NE1-CG 3.56Å; W43-H107 AromaticContact NE1-ND1 3.06Å; W43-H107 PolarHBondContact NE1-ND1 3.5Å; W43-V115 HydrophobicContact CD2-CG1 4.02Å; W43-V115 HydrophobicContact CG-CG1 4.26Å; W43-V115 HydrophobicContact CZ2-CB 4.48Å; W43-V115 HydrophobicContact CZ2-CG1 3.87Å; W43-V115 HydrophobicContact CZ2-CG2 3.98Å
44L98.9Very high98.8Very high2 Ų224.8 Ų24.81%0.0113%0.132CC..Hα-helixtrans-61.2-46.7174.517563.1000111.5R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69R40-L44 WeakPolarHBondContact O-CB 3.43Å; R40-L44 PolarHBondContact O-N 2.96Å; Q41-L44 PolarHBondContact O-N 3.41Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.46Å; L44-A47 PolarHBondContact O-N 3.37Å; L44-E48 HydrophobicContact CD1-CG 4.18Å; L44-E48 HydrophobicContact CG-CG 4.49Å; L44-E48 WeakPolarHBondContact O-CB 3.25Å; L44-E48 WeakPolarHBondContact O-CG 3.49Å; L44-E48 PolarHBondContact O-N 2.97Å; L44-I62 HydrophobicContact CD1-CG2 3.81Å; L44-M65 HydrophobicContact CB-CE 4.4Å; L44-M65 HydrophobicContact CD1-CB 4.08Å; L44-K66 HydrophobicContact CD1-CB 4.29Å; L44-K66 HydrophobicContact CD2-CB 4Å; L44-K66 HydrophobicContact CD2-CG 4.14Å; L44-L69 HydrophobicContact CB-CD2 4.23Å; L44-L69 HydrophobicContact CD2-CD1 3.88Å; L44-L69 HydrophobicContact CD2-CD2 4.06Å; L44-L69 HydrophobicContact CD2-CG 4.34Å
45W98.9Very high98.8Very high47 Ų4724.2 Ų24.218%0.17813%0.131CC..Hα-helixtrans-64.5-34.2177.1-68.8-24.9000113.2Q41 L42 A49 I122 K229 A230Q41-W45 HydrophobicContact CG-CD2 4.06Å; Q41-W45 HydrophobicContact CG-CE3 4.3Å; Q41-W45 HydrophobicContact CG-CH2 3.67Å; Q41-W45 HydrophobicContact CG-CZ2 3.41Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.41Å; Q41-W45 HydrophobicContact CG-CZ3 4.11Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.32Å; Q41-W45 PolarHBondContact O-N 2.73Å; L42-W45 HydrophobicContact CD2-CE3 3.88Å; L42-W45 HydrophobicContact CD2-CZ3 4Å; L42-W45 HydrophobicContact CG-CE3 4.48Å; L42-W45 PolarHBondContact O-N 3.01Å; W45-A49 WeakPolarHBondContact O-CB 3.36Å; W45-A49 PolarHBondContact O-N 3.5Å; W45-A49 VanDerWaalsContact O-N 3.07Å; W45-I122 HydrophobicContact CZ3-CD1 4.4Å; W45-K229 HydrophobicContact CB-CB 4.34Å; W45-K229 HydrophobicContact CB-CD 3.84Å; W45-K229 HydrophobicContact CD2-CB 3.84Å; W45-K229 HydrophobicContact CE3-CB 4.36Å; W45-K229 HydrophobicContact CG-CB 3.83Å; W45-K229 HydrophobicContact CG-CD 3.87Å; W45-K229 HydrophobicContact CG-CG 4.39Å; W45-K229 WeakPolarHBondContact CZ2-O 3.14Å; W45-A230 HydrophobicContact CE3-CB 4.27Å; W45-A230 HydrophobicContact CH2-CB 4.36Å; W45-A230 HydrophobicContact CZ3-CB 3.7Å
46L98.9Very high98.8Very high1 Ų127.5 Ų27.51%0.00516%0.158CC..Hα-helixtrans-62.1-53.8173.9-175.663.7000110L42 W43 L44 E48 A49 E50 A110 Y114 V198 F208 L222L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 2.88Å; W43-L46 WeakPolarHBondContact O-CB 3.49Å; W43-L46 PolarHBondContact O-N 3.04Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.46Å; L46-E48 PolarHBondContact O-N 3.15Å; L46-A49 PolarHBondContact O-N 3.39Å; L46-A49 VanDerWaalsContact O-N 3.15Å; L46-E50 HydrophobicContact CD1-CG 4.23Å; L46-E50 HydrophobicContact CG-CG 4.37Å; L46-E50 WeakPolarHBondContact O-CB 3.42Å; L46-E50 WeakPolarHBondContact O-CG 3.42Å; L46-E50 PolarHBondContact O-N 3.49Å; L46-A110 HydrophobicContact CD2-CB 4.1Å; L46-Y114 HydrophobicContact CB-CE1 3.91Å; L46-Y114 HydrophobicContact CD2-CD1 4.19Å; L46-Y114 HydrophobicContact CD2-CE1 3.87Å; L46-Y114 HydrophobicContact CG-CE1 4.35Å; L46-V198 HydrophobicContact CD1-CG2 4.22Å; L46-F208 HydrophobicContact CD1-CE1 4.27Å; L46-L222 HydrophobicContact CD1-CD1 4.22Å; L46-L222 HydrophobicContact CD1-CD2 4.39Å
47A98.9Very high98.8Very high2 Ų227.2 Ų27.22%0.01716%0.157CC..Hα-helixtrans-60.6-42.5-179.800000112.5W43 L44 A49 Q51 I57 I62 M65 I105W43-A47 PolarHBondContact O-N 3.37Å; L44-A47 PolarHBondContact O-N 3.37Å; A47-A49 VanDerWaalsContact C-N 3.35Å; A47-A49 PolarHBondContact O-N 2.98Å; A47-Q51 VanDerWaalsContact O-CB 3.26Å; A47-Q51 WeakPolarHBondContact O-CB 3.31Å; A47-Q51 PolarHBondContact O-N 2.95Å; A47-I57 HydrophobicContact CB-CD1 4.31Å; A47-I57 HydrophobicContact CB-CG2 4.4Å; A47-I62 HydrophobicContact CB-CG1 4.25Å; A47-M65 HydrophobicContact CB-CE 4.27Å; A47-M65 HydrophobicContact CB-SD 4.07Å; A47-I105 HydrophobicContact CB-CD1 4.17Å
48E98.9Very high98.8Very high29 Ų2927.3 Ų27.314%0.13617%0.166CC..Hα-helixtrans-60.7-41.8175.3-74.8178.5164.200112.2L44 L46 T52 I62 K66 K229L44-E48 HydrophobicContact CD1-CG 4.18Å; L44-E48 HydrophobicContact CG-CG 4.49Å; L44-E48 WeakPolarHBondContact O-CB 3.25Å; L44-E48 WeakPolarHBondContact O-CG 3.49Å; L44-E48 PolarHBondContact O-N 2.97Å; L46-E48 PolarHBondContact O-N 3.15Å; E48-T52 PolarHBondContact O-N 2.95Å; E48-T52 VanDerWaalsContact O-N 3.17Å; E48-T52 PolarHBondContact O-OG1 3.48Å; E48-I62 HydrophobicContact CG-CD1 4.18Å; E48-I62 HydrophobicContact CG-CG1 4.47Å; E48-I62 HydrophobicContact CG-CG2 3.77Å; E48-K66 WeakPolarHBondContact OE1-CE 3.47Å; E48-K66 IonicContact OE1-NZ 2.91Å; E48-K66 PolarHBondContact OE1-NZ 3.04Å; E48-K229 IonicContact OE2-NZ 2.74Å; E48-K229 PolarHBondContact OE2-NZ 2.82Å
49A98.9Very high98.8Very high0 Ų032.7 Ų32.70%019%0.194CC..Hα-helixtrans-73.8-43.4179.900000111.9W45 L46 A47 Q51 T52 L53 L222 M225 V226W45-A49 WeakPolarHBondContact O-CB 3.36Å; W45-A49 PolarHBondContact O-N 3.5Å; W45-A49 VanDerWaalsContact O-N 3.07Å; L46-A49 PolarHBondContact O-N 3.39Å; L46-A49 VanDerWaalsContact O-N 3.15Å; A47-A49 VanDerWaalsContact C-N 3.35Å; A47-A49 PolarHBondContact O-N 2.98Å; A49-Q51 PolarHBondContact O-N 3.13Å; A49-T52 WeakPolarHBondContact O-CB 3.48Å; A49-T52 PolarHBondContact O-N 3.2Å; A49-L53 VanDerWaalsContact O-CG 3.29Å; A49-L53 WeakPolarHBondContact O-CG 3.45Å; A49-L53 PolarHBondContact O-N 3.44Å; A49-L222 HydrophobicContact CB-CD1 3.51Å; A49-M225 HydrophobicContact CB-CB 4.11Å; A49-M225 HydrophobicContact CB-CE 4.09Å; A49-M225 HydrophobicContact CB-SD 4.45Å; A49-V226 HydrophobicContact CB-CG1 4.09Å
50E98.9Very high98.8Very high1 Ų138.1 Ų38.11%0.00522%0.22CC..Hα-helixtrans-59.9-43175.3-78.7178.615800112.2L46 L53 G54 L55 I57 L222L46-E50 HydrophobicContact CD1-CG 4.23Å; L46-E50 HydrophobicContact CG-CG 4.37Å; L46-E50 WeakPolarHBondContact O-CB 3.42Å; L46-E50 WeakPolarHBondContact O-CG 3.42Å; L46-E50 PolarHBondContact O-N 3.49Å; E50-L53 CarbonylContact O-C 3.12Å; E50-L53 PolarHBondContact O-N 2.68Å; E50-G54 PolarHBondContact O-N 3.12Å; E50-L55 HydrophobicContact CB-CB 4.23Å; E50-L55 HydrophobicContact CB-CD1 3.89Å; E50-L55 HydrophobicContact CB-CG 4.25Å; E50-L55 HydrophobicContact CG-CD1 3.87Å; E50-L55 WeakPolarHBondContact O-CB 3.4Å; E50-L55 PolarHBondContact O-N 3.48Å; E50-I57 HydrophobicContact CB-CD1 3.59Å; E50-L222 HydrophobicContact CG-CD1 4.03Å; E50-L222 HydrophobicContact CG-CD2 4.22Å
51Q98.8Very high98.8Very high53 Ų5339.4 Ų39.425%0.24823%0.226CC..Hα-helixtrans-58.4-49.5172.8-178.4-172.45600111.2A47 A49 L53 G54 I57 D59 I62A47-Q51 VanDerWaalsContact O-CB 3.26Å; A47-Q51 WeakPolarHBondContact O-CB 3.31Å; A47-Q51 PolarHBondContact O-N 2.95Å; A49-Q51 PolarHBondContact O-N 3.13Å; Q51-L53 PolarHBondContact O-N 3.18Å; Q51-G54 PolarHBondContact O-N 3.34Å; Q51-I57 HydrophobicContact CB-CB 3.99Å; Q51-I57 HydrophobicContact CB-CG2 4.29Å; Q51-I57 HydrophobicContact CG-CB 4.41Å; Q51-I57 WeakPolarHBondContact CG-O 3.36Å; Q51-I57 PolarHBondContact NE2-O 3.36Å; Q51-D59 PolarHBondContact NE2-OD1 3.41Å; Q51-D59 PolarHBondContact OE1-OD1 2.93Å; Q51-I62 HydrophobicContact CB-CD1 3.97Å; Q51-I62 VanDerWaalsContact CD-CD1 3.41Å; Q51-I62 HydrophobicContact CG-CD1 4.27Å
52T98.8Very high98.8Very high96 Ų9638.1 Ų38.159%0.58922%0.22SC*.Hα-helixtrans-59.1-31.6-179.6-57.40000111.7E48 A49 G54 M225E48-T52 PolarHBondContact O-N 2.95Å; E48-T52 VanDerWaalsContact O-N 3.17Å; E48-T52 PolarHBondContact O-OG1 3.48Å; A49-T52 WeakPolarHBondContact O-CB 3.48Å; A49-T52 PolarHBondContact O-N 3.2Å; T52-G54 VanDerWaalsContact C-N 3.32Å; T52-M225 HydrophobicContact CG2-CE 3.82Å
53L98.8Very high98.8Very high13 Ų1343 Ų437%0.06824%0.243CC..THydrogen-bonded Turntrans-88.11.5179.6-64.2170.6000113.8A49 E50 Q51 F212 K218 Q221 L222 M225A49-L53 VanDerWaalsContact O-CG 3.29Å; A49-L53 WeakPolarHBondContact O-CG 3.45Å; A49-L53 PolarHBondContact O-N 3.44Å; E50-L53 CarbonylContact O-C 3.12Å; E50-L53 PolarHBondContact O-N 2.68Å; Q51-L53 PolarHBondContact O-N 3.18Å; L53-F212 HydrophobicContact CB-CE1 3.71Å; L53-F212 HydrophobicContact CB-CZ 3.94Å; L53-F212 HydrophobicContact CD1-CZ 4.04Å; L53-K218 HydrophobicContact CD2-CG 4.44Å; L53-K218 WeakPolarHBondContact O-CE 3.46Å; L53-K218 PolarHBondContact O-NZ 2.92Å; L53-Q221 HydrophobicContact CD1-CB 4.43Å; L53-Q221 HydrophobicContact CD2-CB 3.93Å; L53-L222 HydrophobicContact CD1-CB 3.56Å; L53-L222 HydrophobicContact CD1-CD1 4.14Å; L53-L222 HydrophobicContact CD1-CG 4.41Å; L53-M225 HydrophobicContact CD1-SD 4.36Å; L53-M225 HydrophobicContact CD2-SD 4.32Å; L53-M225 HydrophobicContact CG-SD 4.29Å
54G98.4Very high98.8Very high61 Ų6144.6 Ų44.663%0.62925%0.25SS*.THydrogen-bonded Turntrans10012.3169.300000115.6E50 Q51 T52E50-G54 PolarHBondContact O-N 3.12Å; Q51-G54 PolarHBondContact O-N 3.34Å; T52-G54 VanDerWaalsContact C-N 3.32Å
55L98.6Very high98.8Very high17 Ų1744.6 Ų44.69%0.08925%0.25CS..  trans-70.3149.7168.9-64.7-165.4000110.7E50 I57 L108 L211 F212E50-L55 HydrophobicContact CB-CB 4.23Å; E50-L55 HydrophobicContact CB-CD1 3.89Å; E50-L55 HydrophobicContact CB-CG 4.25Å; E50-L55 HydrophobicContact CG-CD1 3.87Å; E50-L55 WeakPolarHBondContact O-CB 3.4Å; E50-L55 PolarHBondContact O-N 3.48Å; L55-I57 HydrophobicContact CB-CD1 4.41Å; L55-I57 HydrophobicContact CB-CG1 4.43Å; L55-I57 PolarHBondContact O-N 2.97Å; L55-L108 HydrophobicContact CD1-CD2 3.93Å; L55-L211 HydrophobicContact CD1-CB 4.23Å; L55-L211 HydrophobicContact CD1-CD1 4.28Å; L55-L211 HydrophobicContact CD2-CB 4.35Å; L55-L211 WeakPolarHBondContact CD2-O 3.4Å; L55-F212 HydrophobicContact CD1-CE1 4.17Å; L55-F212 HydrophobicContact CD1-CZ 4.2Å; L55-F212 HydrophobicContact CD2-CD1 3.93Å; L55-F212 HydrophobicContact CD2-CE1 3.73Å; L55-F212 HydrophobicContact CG-CD1 4.34Å; L55-F212 HydrophobicContact CG-CE1 3.63Å; L55-F212 HydrophobicContact CG-CZ 4.12Å
56P98.3Very high98.7Very high121 Ų12146.7 Ų46.779%0.78626%0.261SS*.SBendtrans-75.470.5-174.332.3-37.6000112.3
57I98.8Very high98.7Very high10 Ų1050.5 Ų50.55%0.05129%0.287CS..  trans-117.3130178.4-58.8176.4000108.1A47 E50 Q51 L55 I62 I105A47-I57 HydrophobicContact CB-CD1 4.31Å; A47-I57 HydrophobicContact CB-CG2 4.4Å; E50-I57 HydrophobicContact CB-CD1 3.59Å; Q51-I57 HydrophobicContact CB-CB 3.99Å; Q51-I57 HydrophobicContact CB-CG2 4.29Å; Q51-I57 HydrophobicContact CG-CB 4.41Å; Q51-I57 WeakPolarHBondContact CG-O 3.36Å; Q51-I57 PolarHBondContact NE2-O 3.36Å; L55-I57 HydrophobicContact CB-CD1 4.41Å; L55-I57 HydrophobicContact CB-CG1 4.43Å; L55-I57 PolarHBondContact O-N 2.97Å; I57-I62 HydrophobicContact CG2-CD1 4.01Å; I57-I62 HydrophobicContact CG2-CG1 3.98Å; I57-I105 HydrophobicContact CG1-CB 4.38Å; I57-I105 HydrophobicContact CG1-CG2 4.29Å; I57-I105 HydrophobicContact CG2-CG1 4.43Å
58T98.8Very high98.7Very high72 Ų7251.7 Ų51.744%0.44229%0.294SS..  trans-94.6153.8-17773.40000112.3E60 Q61 I62T58-E60 PolarHBondContact O-N 3.42Å; T58-Q61 WeakPolarHBondContact O-CB 3.37Å; T58-Q61 PolarHBondContact O-N 3.31Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.42Å; T58-Q61 PolarHBondContact OG1-N 3.42Å; T58-I62 PolarHBondContact O-N 2.91Å
59D98.8Very high98.7Very high116 Ų11651.5 Ų51.562%0.6229%0.293SS*.Hα-helixtrans-59.1-32.4174.9-69.4-13.4000111.9Q51 I62 Q63Q51-D59 PolarHBondContact NE2-OD1 3.41Å; Q51-D59 PolarHBondContact OE1-OD1 2.93Å; D59-I62 PolarHBondContact O-N 3.45Å; D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.47Å; D59-Q63 PolarHBondContact O-N 3Å
60E98.6Very high98.7Very high118 Ų11855.6 Ų55.655%0.55131%0.312SS*.Hα-helixtrans-63.2-41175.5-64.6-171-171.100112.1T58 Q63 E64 K101T58-E60 PolarHBondContact O-N 3.42Å; E60-Q63 PolarHBondContact O-N 2.91Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 3.32Å; E60-K101 HydrophobicContact CB-CD 4.47Å; E60-K101 IonicContact OE2-NZ 2.72Å; E60-K101 PolarHBondContact OE2-NZ 2.76Å
61Q98.8Very high98.6Very high28 Ų2860 Ų6013%0.13134%0.336CS..Hα-helixtrans-63.8-46.5176.4-69172.8-47.300110.9T58 Q63 E64 M65 K101 A102 I105T58-Q61 WeakPolarHBondContact O-CB 3.37Å; T58-Q61 PolarHBondContact O-N 3.31Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.42Å; T58-Q61 PolarHBondContact OG1-N 3.42Å; Q61-Q63 PolarHBondContact O-N 3.36Å; Q61-E64 PolarHBondContact O-N 3.33Å; Q61-M65 WeakPolarHBondContact O-CG 3.39Å; Q61-M65 PolarHBondContact O-N 3.41Å; Q61-K101 HydrophobicContact CG-CB 4.19Å; Q61-K101 WeakPolarHBondContact CG-O 3.45Å; Q61-K101 PolarHBondContact NE2-O 2.95Å; Q61-A102 HydrophobicContact CB-CB 4.02Å; Q61-A102 HydrophobicContact CG-CB 4.48Å; Q61-I105 HydrophobicContact CB-CG1 4.38Å
62I98.8Very high98.6Very high11 Ų1158.1 Ų58.16%0.05633%0.328CS..Hα-helixtrans-62.8-43.3177.8-73.7169000111.2L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66L44-I62 HydrophobicContact CD1-CG2 3.81Å; A47-I62 HydrophobicContact CB-CG1 4.25Å; E48-I62 HydrophobicContact CG-CD1 4.18Å; E48-I62 HydrophobicContact CG-CG1 4.47Å; E48-I62 HydrophobicContact CG-CG2 3.77Å; Q51-I62 HydrophobicContact CB-CD1 3.97Å; Q51-I62 VanDerWaalsContact CD-CD1 3.41Å; Q51-I62 HydrophobicContact CG-CD1 4.27Å; I57-I62 HydrophobicContact CG2-CD1 4.01Å; I57-I62 HydrophobicContact CG2-CG1 3.98Å; T58-I62 PolarHBondContact O-N 2.91Å; D59-I62 PolarHBondContact O-N 3.45Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.38Å; I62-M65 PolarHBondContact O-N 3.34Å; I62-K66 WeakPolarHBondContact O-CB 3.47Å; I62-K66 PolarHBondContact O-N 2.97Å
63Q98.8Very high98.6Very high102 Ų10257.6 Ų57.648%0.47732%0.321SS..Hα-helixtrans-66.6-37.2179.7-172.355.647.500111.7D59 E60 Q61 K66 S67D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.47Å; D59-Q63 PolarHBondContact O-N 3Å; E60-Q63 PolarHBondContact O-N 2.91Å; Q61-Q63 PolarHBondContact O-N 3.36Å; Q63-K66 PolarHBondContact O-N 3.5Å; Q63-S67 PolarHBondContact NE2-OG 3.07Å; Q63-S67 WeakPolarHBondContact O-CB 3.44Å; Q63-S67 PolarHBondContact O-N 3.32Å; Q63-S67 PolarHBondContact O-OG 2.86Å
64E98.7Very high98.6Very high37 Ų3760.4 Ų60.417%0.17333%0.333CS..Hα-helixtrans-63-45.8175-168.2179.7-11700111.4E60 Q61 I62 K66 S67 N68 C99 P100 K101 A102E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 3.32Å; Q61-E64 PolarHBondContact O-N 3.33Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.38Å; E64-K66 PolarHBondContact O-N 2.91Å; E64-S67 PolarHBondContact O-N 3.39Å; E64-N68 PolarHBondContact O-N 3.06Å; E64-N68 PolarHBondContact O-ND2 3.36Å; E64-C99 VanDerWaalsContact CD-CA 3.45Å; E64-C99 HydrophobicContact CG-CB 3.89Å; E64-C99 WeakPolarHBondContact OE2-CA 3.47Å; E64-C99 WeakPolarHBondContact OE2-CB 3.22Å; E64-P100 WeakPolarHBondContact OE1-CD 3.41Å; E64-K101 WeakPolarHBondContact OE2-CA 3.49Å; E64-K101 VanDerWaalsContact OE2-CB 3.29Å; E64-K101 WeakPolarHBondContact OE2-CB 3.34Å; E64-K101 PolarHBondContact OE2-N 3.23Å; E64-A102 PolarHBondContact OE2-N 2.82Å
65M98.8Very high98.6Very high1 Ų164.6 Ų64.61%0.00533%0.334CS..Hα-helixtrans-59.9-46.4173.9-68.1171.573.600111.9W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106W43-M65 VanDerWaalsContact C-CE 3.46Å; W43-M65 HydrophobicContact CB-CE 3.8Å; W43-M65 WeakPolarHBondContact O-CE 3.46Å; L44-M65 HydrophobicContact CB-CE 4.4Å; L44-M65 HydrophobicContact CD1-CB 4.08Å; A47-M65 HydrophobicContact CB-CE 4.27Å; A47-M65 HydrophobicContact CB-SD 4.07Å; Q61-M65 WeakPolarHBondContact O-CG 3.39Å; Q61-M65 PolarHBondContact O-N 3.41Å; I62-M65 PolarHBondContact O-N 3.34Å; M65-S67 VanDerWaalsContact C-N 3.28Å; M65-S67 PolarHBondContact O-N 3.5Å; M65-N68 PolarHBondContact O-N 3.26Å; M65-N68 VanDerWaalsContact O-N 3.1Å; M65-L69 PolarHBondContact O-N 3.2Å; M65-F95 HydrophobicContact CB-CE1 4.31Å; M65-F95 HydrophobicContact CB-CZ 3.87Å; M65-F95 HydrophobicContact CE-CE1 3.86Å; M65-F95 HydrophobicContact CG-CE1 4.2Å; M65-F95 HydrophobicContact CG-CZ 4.13Å; M65-A102 HydrophobicContact CG-CB 3.53Å; M65-A102 HydrophobicContact SD-CB 3.91Å; M65-I105 HydrophobicContact SD-CD1 3.69Å; M65-I106 HydrophobicContact CE-CG1 4.12Å; M65-I106 HydrophobicContact SD-CG1 4.38Å
66K98.6Very high98.5Very high91 Ų9165.5 Ų65.540%0.39634%0.338SS..Hα-helixtrans-60.1-38-179.8-171.6168.7-72.1168.30112.4L44 E48 I62 Q63 E64 N68L44-K66 HydrophobicContact CD1-CB 4.29Å; L44-K66 HydrophobicContact CD2-CB 4Å; L44-K66 HydrophobicContact CD2-CG 4.14Å; E48-K66 WeakPolarHBondContact OE1-CE 3.47Å; E48-K66 IonicContact OE1-NZ 2.91Å; E48-K66 PolarHBondContact OE1-NZ 3.04Å; I62-K66 WeakPolarHBondContact O-CB 3.47Å; I62-K66 PolarHBondContact O-N 2.97Å; Q63-K66 PolarHBondContact O-N 3.5Å; E64-K66 PolarHBondContact O-N 2.91Å; K66-N68 PolarHBondContact O-N 3.34Å
67S98.6Very high98.6Very high81 Ų8159.8 Ų59.857%0.56630%0.301SS*.Hα-helixtrans-71.9-17.3180-52.90000112.8Q63 E64 M65Q63-S67 PolarHBondContact NE2-OG 3.07Å; Q63-S67 WeakPolarHBondContact O-CB 3.44Å; Q63-S67 PolarHBondContact O-N 3.32Å; Q63-S67 PolarHBondContact O-OG 2.86Å; E64-S67 PolarHBondContact O-N 3.39Å; M65-S67 VanDerWaalsContact C-N 3.28Å; M65-S67 PolarHBondContact O-N 3.5Å
68N98.8Very high98.5Very high28 Ų2862 Ų6215%0.1532%0.321CS..THydrogen-bonded Turntrans-116.715.6-173.8-74.1-74.4000114.1R40 E64 M65 K66 E70 N71 F95R40-N68 PolarHBondContact NH1-O 3.1Å; E64-N68 PolarHBondContact O-N 3.06Å; E64-N68 PolarHBondContact O-ND2 3.36Å; M65-N68 PolarHBondContact O-N 3.26Å; M65-N68 VanDerWaalsContact O-N 3.1Å; K66-N68 PolarHBondContact O-N 3.34Å; N68-E70 VanDerWaalsContact C-N 3.3Å; N68-E70 PolarHBondContact O-N 3.35Å; N68-N71 HydrophobicContact CB-CB 4.39Å; N68-N71 PolarHBondContact O-N 3.42Å; N68-N71 PolarHBondContact OD1-ND2 3.36Å; N68-F95 HydrophobicContact CB-CE2 3.94Å
69L98.6Very high98.5Very high24 Ų2464 Ų6413%0.12633%0.326CS..SBendtrans-58-39.6-178.4-67.1179.5000113.5R40 L44 M65 F95R40-L69 HydrophobicContact CB-CD2 3.78Å; R40-L69 WeakPolarHBondContact CD-O 3.38Å; L44-L69 HydrophobicContact CB-CD2 4.23Å; L44-L69 HydrophobicContact CD2-CD1 3.88Å; L44-L69 HydrophobicContact CD2-CD2 4.06Å; L44-L69 HydrophobicContact CD2-CG 4.34Å; M65-L69 PolarHBondContact O-N 3.2Å; L69-F95 HydrophobicContact CD2-CZ 4.46Å
70E98.1Very high98.5Very high86 Ų8660 Ų6040%0.40230%0.303SS..SBendtrans-96.3-11.6-176.8-59.8-65.5164.700113.3R33 R37 N68 I72R33-E70 PolarHBondContact NH1-O 3Å; R33-E70 VanDerWaalsContact NH1-O 3.17Å; R37-E70 IonicContact CZ-OE1 3.06Å; R37-E70 IonicContact NE-OE1 3.3Å; R37-E70 PolarHBondContact NE-OE1 3.5Å; R37-E70 IonicContact NE-OE2 3.62Å; R37-E70 IonicContact NH2-OE1 3.05Å; R37-E70 PolarHBondContact NH2-OE1 2.91Å; N68-E70 VanDerWaalsContact C-N 3.3Å; N68-E70 PolarHBondContact O-N 3.35Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 2.94Å
71N98.1Very high98.5Very high95 Ų9558.3 Ų58.351%0.50830%0.295SS..  trans-81.967.9-176.3-177.125.8000112.1R40 N68R40-N71 VanDerWaalsContact NH1-C 3.3Å; R40-N71 PolarHBondContact NH1-O 2.94Å; R40-N71 PolarHBondContact NH2-O 3.23Å; N68-N71 HydrophobicContact CB-CB 4.39Å; N68-N71 PolarHBondContact O-N 3.42Å; N68-N71 PolarHBondContact OD1-ND2 3.36Å
72I98.6Very high98.4Very high13 Ų1364.9 Ų64.97%0.06732%0.323CS..  trans-99112.7-173-54.8166.2000110.4F36 R37 E70 F74F36-I72 HydrophobicContact CB-CD1 3.92Å; R37-I72 HydrophobicContact CB-CD1 4.01Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 2.94Å; I72-F74 HydrophobicContact CB-CD2 4.29Å; I72-F74 HydrophobicContact CB-CE2 3.89Å; I72-F74 HydrophobicContact CB-CZ 4.39Å; I72-F74 HydrophobicContact CG2-CD1 4.46Å; I72-F74 HydrophobicContact CG2-CD2 3.95Å; I72-F74 HydrophobicContact CG2-CE1 4.31Å; I72-F74 HydrophobicContact CG2-CE2 3.74Å; I72-F74 HydrophobicContact CG2-CG 4.3Å; I72-F74 HydrophobicContact CG2-CZ 3.93Å; I72-F74 WeakPolarHBondContact O-CD2 3.44Å; I72-F74 PolarHBondContact O-N 2.88Å
73D98.4Very high98.4Very high84 Ų8471.6 Ų71.645%0.44935%0.348SS..  trans-81.591.9168.7-170.6-19.8000110.3K75 M76 A77 T94D73-K75 PolarHBondContact O-N 2.97Å; D73-K75 WeakPolarHBondContact OD1-CB 3.4Å; D73-K75 PolarHBondContact OD1-N 2.84Å; D73-M76 HydrophobicContact CB-CB 4.07Å; D73-M76 PolarHBondContact OD1-N 3.05Å; D73-A77 PolarHBondContact O-N 3.02Å; D73-A77 VanDerWaalsContact O-N 3.09Å; D73-T94 HydrophobicContact CB-CG2 4.25Å
74F97.9Very high98.3Very high73 Ų7369.3 Ų69.332%0.3234%0.339SS..Hα-helixtrans-64.1-29.2178.2-77.3-84.9000113.4D32 R33 F36 I72 A78D32-F74 HydrophobicContact CB-CE1 4.15Å; R33-F74 HydrophobicContact CB-CZ 4.46Å; F36-F74 HydrophobicContact CD2-CD1 4.47Å; F36-F74 AromaticContact CD2-CE1 3.55Å; F36-F74 HydrophobicContact CD2-CE1 3.55Å; F36-F74 HydrophobicContact CD2-CZ 4.18Å; F36-F74 AromaticContact CE2-CE1 3.98Å; F36-F74 HydrophobicContact CE2-CE1 3.98Å; I72-F74 HydrophobicContact CB-CD2 4.29Å; I72-F74 HydrophobicContact CB-CE2 3.89Å; I72-F74 HydrophobicContact CB-CZ 4.39Å; I72-F74 HydrophobicContact CG2-CD1 4.46Å; I72-F74 HydrophobicContact CG2-CD2 3.95Å; I72-F74 HydrophobicContact CG2-CE1 4.31Å; I72-F74 HydrophobicContact CG2-CE2 3.74Å; I72-F74 HydrophobicContact CG2-CG 4.3Å; I72-F74 HydrophobicContact CG2-CZ 3.93Å; I72-F74 WeakPolarHBondContact O-CD2 3.44Å; I72-F74 PolarHBondContact O-N 2.88Å; F74-A78 WeakPolarHBondContact O-CB 3.38Å; F74-A78 PolarHBondContact O-N 2.65Å
75K98.5Very high98.2Very high149 Ų14977.5 Ų77.565%0.64837%0.368SS*.Hα-helixtrans-70.4-48.8-179.2-175.7-172.6172.5-167.90109.6D73 A77 A78 E79D73-K75 PolarHBondContact O-N 2.97Å; D73-K75 WeakPolarHBondContact OD1-CB 3.4Å; D73-K75 PolarHBondContact OD1-N 2.84Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.3Å; K75-A78 PolarHBondContact O-N 2.64Å; K75-E79 VanDerWaalsContact CE-OE1 3.26Å; K75-E79 WeakPolarHBondContact CE-OE1 3.46Å; K75-E79 WeakPolarHBondContact O-CG 3.13Å; K75-E79 PolarHBondContact O-N 2.76Å
76M98.4Very high98.1Very high35 Ų3580.5 Ų80.517%0.17238%0.382CS..Hα-helixtrans-59.3-44.8174.9-175.8-172-179.500111.3D73 A78 E79 E80 T94 H97D73-M76 HydrophobicContact CB-CB 4.07Å; D73-M76 PolarHBondContact OD1-N 3.05Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 3Å; M76-E79 PolarHBondContact O-N 3.06Å; M76-E80 HydrophobicContact CE-CG 4.45Å; M76-E80 HydrophobicContact CG-CG 4.47Å; M76-E80 WeakPolarHBondContact O-CB 2.9Å; M76-E80 PolarHBondContact O-N 2.83Å; M76-T94 HydrophobicContact CB-CG2 4.26Å; M76-T94 HydrophobicContact CG-CG2 4.36Å; M76-T94 HydrophobicContact SD-CG2 4.01Å; M76-H97 HydrophobicContact CE-CB 3.66Å; M76-H97 HydrophobicContact SD-CB 3.96Å
77A98.5Very high98.1Very high2 Ų278.6 Ų78.62%0.01738%0.376CS..Hα-helixtrans-59.7-41.6178.600000112.3D73 K75 E80 E81 T94D73-A77 PolarHBondContact O-N 3.02Å; D73-A77 VanDerWaalsContact O-N 3.09Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.3Å; A77-E80 PolarHBondContact O-N 3.03Å; A77-E81 WeakPolarHBondContact O-CB 3.16Å; A77-E81 PolarHBondContact O-N 2.99Å; A77-T94 VanDerWaalsContact CA-OG1 3.31Å; A77-T94 WeakPolarHBondContact CA-OG1 3.37Å; A77-T94 HydrophobicContact CB-CG2 4.32Å; A77-T94 PolarHBondContact N-OG1 3.29Å
78A97.6Very high98Very high57 Ų5775 Ų7547%0.47135%0.35SS..Hα-helixtrans-66.5-38.2176.800000112.9F74 K75 M76 K82F74-A78 WeakPolarHBondContact O-CB 3.38Å; F74-A78 PolarHBondContact O-N 2.65Å; K75-A78 PolarHBondContact O-N 2.64Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 3Å; A78-K82 WeakPolarHBondContact O-CB 3.36Å; A78-K82 PolarHBondContact O-N 3.34Å
79E98.5Very high98Very high114 Ų11476.7 Ų76.753%0.53336%0.358SS..Hα-helixtrans-64.2-43.4174.2-71.3171.4-173.400111.2K75 M76 K82 R83K75-E79 VanDerWaalsContact CE-OE1 3.26Å; K75-E79 WeakPolarHBondContact CE-OE1 3.46Å; K75-E79 WeakPolarHBondContact O-CG 3.13Å; K75-E79 PolarHBondContact O-N 2.76Å; M76-E79 PolarHBondContact O-N 3.06Å; E79-K82 PolarHBondContact O-N 2.9Å; E79-R83 PolarHBondContact O-N 3.14Å; E79-R83 VanDerWaalsContact O-N 3.16Å
80E98.3Very high98Very high31 Ų3175.6 Ų75.615%0.14535%0.352CS..Hα-helixtrans-65.1-43.1176-82.1-63.5159.100112.4M76 A77 K82 R83 L84 A90 H93M76-E80 HydrophobicContact CE-CG 4.45Å; M76-E80 HydrophobicContact CG-CG 4.47Å; M76-E80 WeakPolarHBondContact O-CB 2.9Å; M76-E80 PolarHBondContact O-N 2.83Å; A77-E80 PolarHBondContact O-N 3.03Å; E80-K82 VanDerWaalsContact C-N 3.34Å; E80-K82 PolarHBondContact O-N 2.89Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 3.49Å; E80-R83 VanDerWaalsContact O-N 3.12Å; E80-R83 IonicContact OE1-CZ 2.84Å; E80-R83 IonicContact OE1-NE 3.93Å; E80-R83 PolarHBondContact OE1-NE 3.07Å; E80-R83 IonicContact OE1-NH2 2.89Å; E80-R83 PolarHBondContact OE1-NH2 3.18Å; E80-R83 IonicContact OE2-CZ 3.44Å; E80-R83 IonicContact OE2-NE 3.49Å; E80-R83 PolarHBondContact OE2-NE 2.93Å; E80-R83 VanDerWaalsContact OE2-NE 3.15Å; E80-R83 IonicContact OE2-NH2 3.19Å; E80-R83 PolarHBondContact OE2-NH2 3.32Å; E80-L84 WeakPolarHBondContact O-CB 3.35Å; E80-L84 WeakPolarHBondContact O-CG 3.15Å; E80-L84 PolarHBondContact O-N 2.69Å; E80-L84 VanDerWaalsContact OE2-CD1 3.31Å; E80-L84 WeakPolarHBondContact OE2-CD1 3.31Å; E80-A90 HydrophobicContact CB-CB 3.68Å; E80-H93 HydrophobicContact CG-CB 4.48Å
81E98.3Very high98Very high82 Ų8271.7 Ų71.738%0.38333%0.334SS..Hα-helixtrans-64.3-40.8177.6-173.9177.8173.100111.3A77 R83 L84 R85 D87 A90A77-E81 WeakPolarHBondContact O-CB 3.16Å; A77-E81 PolarHBondContact O-N 2.99Å; E81-R83 PolarHBondContact O-N 3.34Å; E81-L84 PolarHBondContact O-N 3.06Å; E81-R85 VanDerWaalsContact O-CA 3.26Å; E81-R85 WeakPolarHBondContact O-CA 3.42Å; E81-R85 PolarHBondContact O-N 3.5Å; E81-D87 HydrophobicContact CG-CB 4.4Å; E81-A90 HydrophobicContact CB-CB 3.77Å; E81-A90 VanDerWaalsContact N-CB 3.31Å
82K97.8Very high98.1Very high167 Ų16767.9 Ų67.973%0.72631%0.314SS*.Hα-helixtrans-59.4-36.8174.1-175.6179.1180-179.30112.1A78 E79 E80 R85A78-K82 WeakPolarHBondContact O-CB 3.36Å; A78-K82 PolarHBondContact O-N 3.34Å; E79-K82 PolarHBondContact O-N 2.9Å; E80-K82 VanDerWaalsContact C-N 3.34Å; E80-K82 PolarHBondContact O-N 2.89Å; K82-R85 WeakPolarHBondContact O-CD 3.43Å; K82-R85 PolarHBondContact O-NE 3.2Å
83R97.9Very high98.1Very high151 Ų15171.1 Ų71.157%0.5733%0.329SS*.Hα-helixtrans-75.9-48.1180-175.1175.968.785.9-8.9112.3E79 E80 E81E79-R83 PolarHBondContact O-N 3.14Å; E79-R83 VanDerWaalsContact O-N 3.16Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 3.49Å; E80-R83 VanDerWaalsContact O-N 3.12Å; E80-R83 IonicContact OE1-CZ 2.84Å; E80-R83 IonicContact OE1-NE 3.93Å; E80-R83 PolarHBondContact OE1-NE 3.07Å; E80-R83 IonicContact OE1-NH2 2.89Å; E80-R83 PolarHBondContact OE1-NH2 3.18Å; E80-R83 IonicContact OE2-CZ 3.44Å; E80-R83 IonicContact OE2-NE 3.49Å; E80-R83 PolarHBondContact OE2-NE 2.93Å; E80-R83 VanDerWaalsContact OE2-NE 3.15Å; E80-R83 IonicContact OE2-NH2 3.19Å; E80-R83 PolarHBondContact OE2-NH2 3.32Å; E81-R83 PolarHBondContact O-N 3.34Å
84L96.8Very high98.1Very high55 Ų5567.3 Ų67.329%0.28831%0.309SS..Hα-helixtrans-90.4-19.2-171.2-63.1175.3000113.7E80 E81 H86 M89 H93E80-L84 WeakPolarHBondContact O-CB 3.35Å; E80-L84 WeakPolarHBondContact O-CG 3.15Å; E80-L84 PolarHBondContact O-N 2.69Å; E80-L84 VanDerWaalsContact OE2-CD1 3.31Å; E80-L84 WeakPolarHBondContact OE2-CD1 3.31Å; E81-L84 PolarHBondContact O-N 3.06Å; L84-H86 PolarHBondContact O-N 2.88Å; L84-M89 HydrophobicContact CD1-CB 4.28Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.45Å
85R97.5Very high98.1Very high209 Ų20963.8 Ų63.879%0.78929%0.293SS*.SBendtrans57.430.8-172.9-49.7-58.9179.6763.7113E81 K82E81-R85 VanDerWaalsContact O-CA 3.26Å; E81-R85 WeakPolarHBondContact O-CA 3.42Å; E81-R85 PolarHBondContact O-N 3.5Å; K82-R85 WeakPolarHBondContact O-CD 3.43Å; K82-R85 PolarHBondContact O-NE 3.2Å
86H97.6Very high98.1Very high64 Ų6457.1 Ų57.130%0.29627%0.267SS..  trans-149.1112.9-179.3-167.6-28.9000110.3L84 V88 M89 A90 S112L84-H86 PolarHBondContact O-N 2.88Å; H86-V88 PolarHBondContact ND1-N 2.96Å; H86-M89 HydrophobicContact CB-CB 4.13Å; H86-M89 HydrophobicContact CB-CG 4.37Å; H86-M89 PolarHBondContact O-N 2.85Å; H86-A90 WeakPolarHBondContact O-CB 3.22Å; H86-A90 PolarHBondContact O-N 2.83Å; H86-S112 PolarHBondContact CE1-OG 3.25Å; H86-S112 PolarHBondContact NE2-OG 2.64Å
87D96.9Very high98.1Very high51 Ų5162.1 Ų62.127%0.27329%0.289SS..Hα-helixtrans-61.8-48.9-177.263.2-19.9000113.6W39 E81 M89 A90 H91W39-D87 WeakPolarHBondContact CH2-OD2 3.32Å; E81-D87 HydrophobicContact CG-CB 4.4Å; D87-M89 PolarHBondContact O-N 3.4Å; D87-A90 WeakPolarHBondContact O-CB 3.16Å; D87-A90 PolarHBondContact O-N 3.36Å; D87-H91 PolarHBondContact O-CD2 2.93Å; D87-H91 PolarHBondContact O-N 3.43Å
88V98.3Very high98.1Very high4 Ų463.6 Ų63.62%0.02430%0.3CS..Hα-helixtrans-59.2-49.5177.7179.40000110.8W39 W43 H86 A90 H91 V92 V115W39-V88 HydrophobicContact CE3-CG2 4.43Å; W39-V88 HydrophobicContact CH2-CB 4.36Å; W39-V88 HydrophobicContact CH2-CG2 3.42Å; W39-V88 VanDerWaalsContact CH2-CG2 3.42Å; W39-V88 HydrophobicContact CZ2-CG2 4.05Å; W39-V88 HydrophobicContact CZ3-CB 4.14Å; W39-V88 HydrophobicContact CZ3-CG2 3.66Å; W43-V88 HydrophobicContact CZ2-CG1 3.92Å; H86-V88 PolarHBondContact ND1-N 2.96Å; V88-A90 VanDerWaalsContact C-N 3.32Å; V88-A90 PolarHBondContact O-N 3.41Å; V88-H91 CarbonylContact O-C 3.6Å; V88-H91 PolarHBondContact O-N 3.15Å; V88-H91 VanDerWaalsContact O-N 3.15Å; V88-V92 HydrophobicContact CG1-CG2 4.33Å; V88-V92 WeakPolarHBondContact O-CG2 3.42Å; V88-V92 PolarHBondContact O-N 3.33Å; V88-V115 HydrophobicContact CB-CG2 4.48Å; V88-V115 HydrophobicContact CG1-CG2 3.69Å; V88-V115 HydrophobicContact CG2-CG2 3.92Å
89M98Very high98.2Very high65 Ų6560.9 Ų60.932%0.3228%0.277SS..Hα-helixtrans-64.6-37.9-179.9-69-53.3-55.400112.1L84 H86 D87 H91 V92 H93L84-M89 HydrophobicContact CD1-CB 4.28Å; H86-M89 HydrophobicContact CB-CB 4.13Å; H86-M89 HydrophobicContact CB-CG 4.37Å; H86-M89 PolarHBondContact O-N 2.85Å; D87-M89 PolarHBondContact O-N 3.4Å; M89-H91 VanDerWaalsContact C-N 3.31Å; M89-H91 PolarHBondContact O-N 3.36Å; M89-V92 HydrophobicContact CE-CB 4.48Å; M89-V92 HydrophobicContact CE-CG1 4.41Å; M89-V92 WeakPolarHBondContact O-CB 3.1Å; M89-V92 PolarHBondContact O-N 2.87Å; M89-H93 PolarHBondContact O-CD2 2.79Å; M89-H93 PolarHBondContact O-N 2.86Å
90A98.6Very high98.2Very high0 Ų059.8 Ų59.80%028%0.28CS..Hα-helixtrans-56.3-47.5172.300000111.5E80 E81 H86 D87 V88 V92 H93 T94E80-A90 HydrophobicContact CB-CB 3.68Å; E81-A90 HydrophobicContact CB-CB 3.77Å; E81-A90 VanDerWaalsContact N-CB 3.31Å; H86-A90 WeakPolarHBondContact O-CB 3.22Å; H86-A90 PolarHBondContact O-N 2.83Å; D87-A90 WeakPolarHBondContact O-CB 3.16Å; D87-A90 PolarHBondContact O-N 3.36Å; V88-A90 VanDerWaalsContact C-N 3.32Å; V88-A90 PolarHBondContact O-N 3.41Å; A90-V92 PolarHBondContact O-N 3.33Å; A90-H93 PolarHBondContact O-N 2.7Å; A90-T94 PolarHBondContact O-N 3.41Å; A90-T94 PolarHBondContact O-OG1 3.27Å
91H98.7Very high98.2Very high5 Ų563.8 Ų63.82%0.02330%0.297CS..Hα-helixtrans-69.6-29.5177-85.2-91.5000114.2F36 W39 W43 D87 V88 M89 F95F36-H91 AromaticContact CD1-CD2 3.72Å; F36-H91 AromaticContact CD1-CE1 3.36Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.22Å; F36-H91 AromaticContact CD1-CG 3.81Å; F36-H91 AromaticContact CD1-ND1 3.6Å; F36-H91 AromaticContact CD1-NE2 3.43Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.38Å; F36-H91 AromaticContact CD2-CE1 3.71Å; F36-H91 AromaticContact CD2-NE2 3.94Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 VanDerWaalsContact CE1-CD2 3.5Å; F36-H91 WeakPolarHBondContact CE1-CD2 3.46Å; F36-H91 AromaticContact CE1-CE1 3.71Å; F36-H91 AromaticContact CE1-NE2 3.25Å; F36-H91 VanDerWaalsContact CE1-NE2 3.25Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.35Å; F36-H91 AromaticContact CE2-NE2 3.78Å; F36-H91 AromaticContact CG-CE1 3.35Å; F36-H91 WeakPolarHBondContact CG-CE1 2.9Å; F36-H91 AromaticContact CG-ND1 3.83Å; F36-H91 AromaticContact CG-NE2 3.77Å; F36-H91 AromaticContact CZ-NE2 3.43Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.48Å; W39-H91 HydrophobicContact CE3-CB 4.07Å; W39-H91 HydrophobicContact CZ3-CB 4.19Å; W43-H91 HydrophobicContact CH2-CB 4.03Å; W43-H91 HydrophobicContact CZ3-CB 4.43Å; D87-H91 PolarHBondContact O-CD2 2.93Å; D87-H91 PolarHBondContact O-N 3.43Å; V88-H91 CarbonylContact O-C 3.6Å; V88-H91 PolarHBondContact O-N 3.15Å; V88-H91 VanDerWaalsContact O-N 3.15Å; M89-H91 VanDerWaalsContact C-N 3.31Å; M89-H91 PolarHBondContact O-N 3.36Å; H91-F95 VanDerWaalsContact O-CB 3.22Å; H91-F95 WeakPolarHBondContact O-CB 3.46Å; H91-F95 PolarHBondContact O-N 3.36Å
92V98.6Very high98.2Very high14 Ų1459.9 Ų59.99%0.08528%0.278CS..Hα-helixtrans-61.5-48.2169.81690000109.8W43 V88 M89 A90 F95 G96 I106 H107W43-V92 HydrophobicContact CH2-CG2 3.82Å; W43-V92 HydrophobicContact CZ2-CG2 3.36Å; V88-V92 HydrophobicContact CG1-CG2 4.33Å; V88-V92 WeakPolarHBondContact O-CG2 3.42Å; V88-V92 PolarHBondContact O-N 3.33Å; M89-V92 HydrophobicContact CE-CB 4.48Å; M89-V92 HydrophobicContact CE-CG1 4.41Å; M89-V92 WeakPolarHBondContact O-CB 3.1Å; M89-V92 PolarHBondContact O-N 2.87Å; A90-V92 PolarHBondContact O-N 3.33Å; V92-F95 PolarHBondContact O-N 2.68Å; V92-G96 PolarHBondContact O-N 3.25Å; V92-I106 HydrophobicContact CB-CG2 4.47Å; V92-I106 HydrophobicContact CG1-CG2 3.99Å; V92-I106 HydrophobicContact CG2-CG2 4.25Å; V92-H107 HydrophobicContact CG2-CB 3.99Å
93H98.4Very high98.2Very high82 Ų8254 Ų5438%0.3826%0.261SS..Hα-helixtrans-64.5-45.4177.4-73.9-68.1000112.4E80 L84 M89 A90 F95 G96 H97E80-H93 HydrophobicContact CG-CB 4.48Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.45Å; M89-H93 PolarHBondContact O-CD2 2.79Å; M89-H93 PolarHBondContact O-N 2.86Å; A90-H93 PolarHBondContact O-N 2.7Å; H93-F95 VanDerWaalsContact C-N 3.3Å; H93-F95 PolarHBondContact O-N 3.42Å; H93-G96 PolarHBondContact O-N 2.86Å; H93-H97 WeakPolarHBondContact O-CB 3.47Å; H93-H97 PolarHBondContact O-N 3.18Å
94T98.7Very high98.2Very high3 Ų350.1 Ų50.12%0.01827%0.268CS..Hα-helixtrans-62.1-38.2176.7-56.60000111.9D73 M76 A77 A90 C98D73-T94 HydrophobicContact CB-CG2 4.25Å; M76-T94 HydrophobicContact CB-CG2 4.26Å; M76-T94 HydrophobicContact CG-CG2 4.36Å; M76-T94 HydrophobicContact SD-CG2 4.01Å; A77-T94 VanDerWaalsContact CA-OG1 3.31Å; A77-T94 WeakPolarHBondContact CA-OG1 3.37Å; A77-T94 HydrophobicContact CB-CG2 4.32Å; A77-T94 PolarHBondContact N-OG1 3.29Å; A90-T94 PolarHBondContact O-N 3.41Å; A90-T94 PolarHBondContact O-OG1 3.27Å; T94-C98 PolarHBondContact O-N 3.25Å; T94-C98 PolarHBondContact O-SG 2.97Å; T94-C98 VanDerWaalsContact O-SG 3.41Å
95F98.8Very high98.3Very high0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-72.4-41.5177.1-166.2-150.3000111.8R40 W43 M65 N68 L69 H91 V92 H93 H97 C98 C99 I106R40-F95 HydrophobicContact CB-CD1 4.4Å; R40-F95 HydrophobicContact CB-CE1 3.91Å; R40-F95 HydrophobicContact CB-CE2 4.35Å; R40-F95 HydrophobicContact CB-CZ 3.88Å; R40-F95 HydrophobicContact CG-CD1 3.83Å; R40-F95 HydrophobicContact CG-CD2 3.99Å; R40-F95 HydrophobicContact CG-CE1 3.83Å; R40-F95 HydrophobicContact CG-CE2 3.99Å; R40-F95 HydrophobicContact CG-CG 3.91Å; R40-F95 HydrophobicContact CG-CZ 3.91Å; R40-F95 VanDerWaalsContact NE-CD2 3.34Å; W43-F95 AromaticContact CE3-CD1 3.76Å; W43-F95 HydrophobicContact CE3-CD1 3.76Å; W43-F95 HydrophobicContact CE3-CE1 4.28Å; W43-F95 HydrophobicContact CZ3-CD1 4.33Å; M65-F95 HydrophobicContact CB-CE1 4.31Å; M65-F95 HydrophobicContact CB-CZ 3.87Å; M65-F95 HydrophobicContact CE-CE1 3.86Å; M65-F95 HydrophobicContact CG-CE1 4.2Å; M65-F95 HydrophobicContact CG-CZ 4.13Å; N68-F95 HydrophobicContact CB-CE2 3.94Å; L69-F95 HydrophobicContact CD2-CZ 4.46Å; H91-F95 VanDerWaalsContact O-CB 3.22Å; H91-F95 WeakPolarHBondContact O-CB 3.46Å; H91-F95 PolarHBondContact O-N 3.36Å; V92-F95 PolarHBondContact O-N 2.68Å; H93-F95 VanDerWaalsContact C-N 3.3Å; H93-F95 PolarHBondContact O-N 3.42Å; F95-H97 VanDerWaalsContact C-N 3.27Å; F95-H97 PolarHBondContact O-N 3.47Å; F95-C98 PolarHBondContact O-N 3.32Å; F95-C98 PolarHBondContact O-SG 2.67Å; F95-C99 WeakPolarHBondContact CE2-SG 3.4Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 2.9Å; F95-C99 PolarHBondContact O-SG 3.12Å; F95-I106 HydrophobicContact CB-CD1 4.23Å; F95-I106 HydrophobicContact CD1-CD1 3.68Å; F95-I106 HydrophobicContact CD1-CG1 4.27Å; F95-I106 HydrophobicContact CD1-CG2 4.36Å; F95-I106 HydrophobicContact CE1-CD1 4.32Å; F95-I106 HydrophobicContact CG-CD1 4.04Å
96G98.7Very high98.4Very high9 Ų939.1 Ų39.19%0.09323%0.225CC..Hα-helixtrans-61.7-32.2172.800000113.4V92 H93 C99 P100V92-G96 PolarHBondContact O-N 3.25Å; H93-G96 PolarHBondContact O-N 2.86Å; G96-C99 CarbonylContact O-C 3.47Å; G96-C99 PolarHBondContact O-N 3.22Å; G96-C99 VanDerWaalsContact O-O 3.09Å; G96-P100 WeakPolarHBondContact O-CA 3.45Å
97H98.6Very high98.4Very high139 Ų13937.3 Ų37.364%0.64422%0.217SC*.Hα-helixtrans-65.3-40.8176.5-175.9-85000112.8M76 H93 F95 C99M76-H97 HydrophobicContact CE-CB 3.66Å; M76-H97 HydrophobicContact SD-CB 3.96Å; H93-H97 WeakPolarHBondContact O-CB 3.47Å; H93-H97 PolarHBondContact O-N 3.18Å; F95-H97 VanDerWaalsContact C-N 3.27Å; F95-H97 PolarHBondContact O-N 3.47Å; H97-C99 VanDerWaalsContact C-N 3.34Å
98C98.1Very high98.5Very high34 Ų3437.3 Ų37.323%0.2322%0.216CC..Hα-helixtrans-84.6-8.7174.259.10000113.7T94 F95T94-C98 PolarHBondContact O-N 3.25Å; T94-C98 PolarHBondContact O-SG 2.97Å; T94-C98 VanDerWaalsContact O-SG 3.41Å; F95-C98 PolarHBondContact O-N 3.32Å; F95-C98 PolarHBondContact O-SG 2.67Å
99C98.6Very high98.4Very high0 Ų038 Ų380%023%0.225CC..  trans-129.467.2175.7-52.30000110.6E64 F95 G96 H97 K101 A102 A103E64-C99 VanDerWaalsContact CD-CA 3.45Å; E64-C99 HydrophobicContact CG-CB 3.89Å; E64-C99 WeakPolarHBondContact OE2-CA 3.47Å; E64-C99 WeakPolarHBondContact OE2-CB 3.22Å; F95-C99 WeakPolarHBondContact CE2-SG 3.4Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 2.9Å; F95-C99 PolarHBondContact O-SG 3.12Å; G96-C99 CarbonylContact O-C 3.47Å; G96-C99 PolarHBondContact O-N 3.22Å; G96-C99 VanDerWaalsContact O-O 3.09Å; H97-C99 VanDerWaalsContact C-N 3.34Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 2.93Å; C99-A102 HydrophobicContact CB-CB 3.96Å; C99-A102 CarbonylContact O-C 3.53Å; C99-A102 PolarHBondContact O-N 2.89Å; C99-A103 PolarHBondContact O-N 3.19Å
100P98.6Very high98.4Very high91 Ų9135.9 Ų35.959%0.59122%0.218SC*.THydrogen-bonded Turntrans-62.6-30.2-171.524.9-35.5000113.6E64 G96E64-P100 WeakPolarHBondContact OE1-CD 3.41Å; G96-P100 WeakPolarHBondContact O-CA 3.45Å
101K98.4Very high98.4Very high114 Ų11436.6 Ų36.650%0.49622%0.222SC..THydrogen-bonded Turntrans-71-38.8175.6-60.1179.8174.8-172.30110.6E60 Q61 E64 C99E60-K101 HydrophobicContact CB-CD 4.47Å; E60-K101 IonicContact OE2-NZ 2.72Å; E60-K101 PolarHBondContact OE2-NZ 2.76Å; Q61-K101 HydrophobicContact CG-CB 4.19Å; Q61-K101 WeakPolarHBondContact CG-O 3.45Å; Q61-K101 PolarHBondContact NE2-O 2.95Å; E64-K101 WeakPolarHBondContact OE2-CA 3.49Å; E64-K101 VanDerWaalsContact OE2-CB 3.29Å; E64-K101 WeakPolarHBondContact OE2-CB 3.34Å; E64-K101 PolarHBondContact OE2-N 3.23Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 2.93Å
102A98.6Very high98.3Very high0 Ų037.7 Ų37.70%023%0.23CC..THydrogen-bonded Turntrans-83.3-13.8-179.400000114.1Q61 E64 M65 C99 G104 I105 I106Q61-A102 HydrophobicContact CB-CB 4.02Å; Q61-A102 HydrophobicContact CG-CB 4.48Å; E64-A102 PolarHBondContact OE2-N 2.82Å; M65-A102 HydrophobicContact CG-CB 3.53Å; M65-A102 HydrophobicContact SD-CB 3.91Å; C99-A102 HydrophobicContact CB-CB 3.96Å; C99-A102 CarbonylContact O-C 3.53Å; C99-A102 PolarHBondContact O-N 2.89Å; A102-G104 PolarHBondContact O-N 3.49Å; A102-I105 HydrophobicContact CB-CD1 4.02Å; A102-I105 HydrophobicContact CB-CG1 4.45Å; A102-I105 WeakPolarHBondContact O-CD1 3.46Å; A102-I105 VanDerWaalsContact O-CG1 3.3Å; A102-I105 WeakPolarHBondContact O-CG1 3.2Å; A102-I105 PolarHBondContact O-N 2.68Å; A102-I106 HydrophobicContact CB-CD1 4.45Å; A102-I106 HydrophobicContact CB-CG1 4.46Å; A102-I106 WeakPolarHBondContact O-CG1 3.06Å; A102-I106 PolarHBondContact O-N 3.05Å
103A98.4Very high98.3Very high43 Ų4338 Ų3836%0.35523%0.232SC..THydrogen-bonded Turntrans-49.8-39.7-171.500000114.3C99 I105C99-A103 PolarHBondContact O-N 3.19Å; A103-I105 PolarHBondContact O-N 3.43Å
104G98.1Very high98.4Very high71 Ų7134.1 Ų34.173%0.73221%0.214SC*.THydrogen-bonded Turntrans-75.7-15.8-179.500000115.6A102A102-G104 PolarHBondContact O-N 3.49Å
105I98.6Very high98.4Very high20 Ų2034 Ų3410%0.10321%0.214CC..THydrogen-bonded Turntrans-108.3-8.9-178.661.569000113.1A47 I57 Q61 M65 A102 A103 H107 L108A47-I105 HydrophobicContact CB-CD1 4.17Å; I57-I105 HydrophobicContact CG1-CB 4.38Å; I57-I105 HydrophobicContact CG1-CG2 4.29Å; I57-I105 HydrophobicContact CG2-CG1 4.43Å; Q61-I105 HydrophobicContact CB-CG1 4.38Å; M65-I105 HydrophobicContact SD-CD1 3.69Å; A102-I105 HydrophobicContact CB-CD1 4.02Å; A102-I105 HydrophobicContact CB-CG1 4.45Å; A102-I105 WeakPolarHBondContact O-CD1 3.46Å; A102-I105 VanDerWaalsContact O-CG1 3.3Å; A102-I105 WeakPolarHBondContact O-CG1 3.2Å; A102-I105 PolarHBondContact O-N 2.68Å; A103-I105 PolarHBondContact O-N 3.43Å; I105-H107 PolarHBondContact O-N 3.14Å; I105-L108 WeakPolarHBondContact O-CB 3.14Å; I105-L108 PolarHBondContact O-N 3.18Å
106I98.7Very high98.4Very high13 Ų1334.7 Ų34.77%0.06722%0.221CC..THydrogen-bonded Turntrans-64.9129.3176.3-67.8165.8000108.7W43 M65 V92 F95 A102 L108W43-I106 HydrophobicContact CB-CG2 4.5Å; W43-I106 HydrophobicContact CD2-CG2 3.93Å; W43-I106 HydrophobicContact CE3-CG2 4.3Å; W43-I106 HydrophobicContact CG-CG2 4Å; M65-I106 HydrophobicContact CE-CG1 4.12Å; M65-I106 HydrophobicContact SD-CG1 4.38Å; V92-I106 HydrophobicContact CB-CG2 4.47Å; V92-I106 HydrophobicContact CG1-CG2 3.99Å; V92-I106 HydrophobicContact CG2-CG2 4.25Å; F95-I106 HydrophobicContact CB-CD1 4.23Å; F95-I106 HydrophobicContact CD1-CD1 3.68Å; F95-I106 HydrophobicContact CD1-CG1 4.27Å; F95-I106 HydrophobicContact CD1-CG2 4.36Å; F95-I106 HydrophobicContact CE1-CD1 4.32Å; F95-I106 HydrophobicContact CG-CD1 4.04Å; A102-I106 HydrophobicContact CB-CD1 4.45Å; A102-I106 HydrophobicContact CB-CG1 4.46Å; A102-I106 WeakPolarHBondContact O-CG1 3.06Å; A102-I106 PolarHBondContact O-N 3.05Å; I106-L108 VanDerWaalsContact C-N 3.27Å; I106-L108 PolarHBondContact O-N 3.16Å
107H98.6Very high98.4Very high25 Ų2534.5 Ų34.512%0.11622%0.218CC..THydrogen-bonded Turntrans69.517.1178.1-154.251.4000115.4W43 V92 I105 G109 A110 T111W43-H107 AromaticContact CD1-ND1 3.89Å; W43-H107 AromaticContact NE1-CG 3.56Å; W43-H107 AromaticContact NE1-ND1 3.06Å; W43-H107 PolarHBondContact NE1-ND1 3.5Å; V92-H107 HydrophobicContact CG2-CB 3.99Å; I105-H107 PolarHBondContact O-N 3.14Å; H107-G109 PolarHBondContact O-N 2.78Å; H107-A110 WeakPolarHBondContact ND1-CB 3.25Å; H107-A110 PolarHBondContact O-N 3.48Å; H107-A110 VanDerWaalsContact O-N 3.14Å; H107-T111 PolarHBondContact CE1-O 3.03Å; H107-T111 VanDerWaalsContact NE2-C 3.34Å
108L98.4Very high98.4Very high51 Ų5127.9 Ų27.927%0.26719%0.187SC..THydrogen-bonded Turntrans-52.7129.6178.9-174.661.8000111.6L55 I105 I106 A110 L211L55-L108 HydrophobicContact CD1-CD2 3.93Å; I105-L108 WeakPolarHBondContact O-CB 3.14Å; I105-L108 PolarHBondContact O-N 3.18Å; I106-L108 VanDerWaalsContact C-N 3.27Å; I106-L108 PolarHBondContact O-N 3.16Å; L108-A110 PolarHBondContact O-N 3.39Å; L108-L211 HydrophobicContact CD1-CD1 4.42Å; L108-L211 HydrophobicContact CD1-CD2 4.16Å; L108-L211 HydrophobicContact CG-CD1 3.95Å; L108-L211 HydrophobicContact CG-CD2 4.32Å
109G97.1Very high98.4Very high20 Ų2026.2 Ų26.221%0.20618%0.176CC..THydrogen-bonded Turntrans68.5-13.2179.900000116.5H107 S207 F208H107-G109 PolarHBondContact O-N 2.78Å; G109-S207 VanDerWaalsContact O-CB 3.31Å; G109-S207 WeakPolarHBondContact O-CB 3.42Å; G109-S207 PolarHBondContact O-OG 3.37Å; G109-F208 WeakPolarHBondContact O-CE2 3.33Å; G109-F208 WeakPolarHBondContact O-CZ 3.34Å
110A98.1Very high98.4Very high20 Ų2029.1 Ų29.117%0.16519%0.191CC..  trans-86.6172.6-171.600000113.7L46 H107 L108 Y114 F208L46-A110 HydrophobicContact CD2-CB 4.1Å; H107-A110 WeakPolarHBondContact ND1-CB 3.25Å; H107-A110 PolarHBondContact O-N 3.48Å; H107-A110 VanDerWaalsContact O-N 3.14Å; L108-A110 PolarHBondContact O-N 3.39Å; A110-Y114 HydrophobicContact CB-CD1 4.22Å; A110-Y114 HydrophobicContact CB-CG 4.15Å; A110-F208 HydrophobicContact CB-CZ 3.96Å
111T97.4Very high98.5Very high14 Ų1424.8 Ų24.89%0.08616%0.163CC..  trans-123.4163.4170.5-174.30000108.7H107 C113 Y114 G200H107-T111 PolarHBondContact CE1-O 3.03Å; H107-T111 VanDerWaalsContact NE2-C 3.34Å; T111-C113 HydrophobicContact CG2-CB 4.25Å; T111-C113 PolarHBondContact O-N 3.17Å; T111-Y114 VanDerWaalsContact O-CB 3.22Å; T111-Y114 WeakPolarHBondContact O-CB 3.42Å; T111-Y114 PolarHBondContact O-N 2.76Å; T111-G200 VanDerWaalsContact CG2-O 3.27Å; T111-G200 WeakPolarHBondContact CG2-O 3.42Å
112S97.8Very high98.5Very high29 Ų2919.8 Ų19.820%0.20314%0.142CC..G310 helixtrans-48.1-38.7-179.2-52.20000114H86 Y114 V115 G116H86-S112 PolarHBondContact CE1-OG 3.25Å; H86-S112 PolarHBondContact NE2-OG 2.64Å; S112-Y114 PolarHBondContact O-N 3.25Å; S112-V115 WeakPolarHBondContact O-CG2 3.27Å; S112-V115 PolarHBondContact O-N 3.13Å; S112-V115 VanDerWaalsContact O-N 3.17Å; S112-G116 PolarHBondContact O-N 2.93Å
113C98.6Very high98.5Very high19 Ų1920.2 Ų20.213%0.12814%0.144CC..G310 helixtrans-66.9-12.6175.9-68.50000114.4T111 V115 D117 Q241T111-C113 HydrophobicContact CG2-CB 4.25Å; T111-C113 PolarHBondContact O-N 3.17Å; C113-V115 VanDerWaalsContact C-N 3.32Å; C113-D117 HydrophobicContact CB-CB 4.38Å; C113-D117 WeakPolarHBondContact O-CB 3.28Å; C113-D117 PolarHBondContact O-N 3.19Å; C113-Q241 HydrophobicContact CB-CG 4.28Å; C113-Q241 WeakPolarHBondContact CB-O 3.5Å
114Y98.9Very high98.5Very high1 Ų119.6 Ų19.60%0.00414%0.135CC..G310 helixtrans-61.3-43169.2173.9-109.4000111.2L42 L46 A110 T111 S112 N118 V198L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 WeakPolarHBondContact O-CE1 3.33Å; L42-Y114 PolarHBondContact O-OH 3.06Å; L46-Y114 HydrophobicContact CB-CE1 3.91Å; L46-Y114 HydrophobicContact CD2-CD1 4.19Å; L46-Y114 HydrophobicContact CD2-CE1 3.87Å; L46-Y114 HydrophobicContact CG-CE1 4.35Å; A110-Y114 HydrophobicContact CB-CD1 4.22Å; A110-Y114 HydrophobicContact CB-CG 4.15Å; T111-Y114 VanDerWaalsContact O-CB 3.22Å; T111-Y114 WeakPolarHBondContact O-CB 3.42Å; T111-Y114 PolarHBondContact O-N 2.76Å; S112-Y114 PolarHBondContact O-N 3.25Å; Y114-N118 WeakPolarHBondContact CD2-ND2 3.45Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.48Å; Y114-N118 PolarHBondContact O-ND2 3.23Å; Y114-V198 HydrophobicContact CD2-CG2 4.26Å; Y114-V198 HydrophobicContact CE2-CG2 3.88Å
115V98.8Very high98.6Very high0 Ų018 Ų180%011%0.107CC..THydrogen-bonded Turntrans-91.6-39.3178.2-65.40000112.5W39 L42 W43 V88 S112 C113 T119W39-V115 HydrophobicContact CB-CB 4.03Å; W39-V115 HydrophobicContact CB-CG1 4.29Å; W39-V115 HydrophobicContact CD2-CB 3.97Å; W39-V115 HydrophobicContact CD2-CG2 3.7Å; W39-V115 HydrophobicContact CE3-CG2 4.03Å; W39-V115 HydrophobicContact CG-CB 3.68Å; W39-V115 HydrophobicContact CG-CG1 4.46Å; W39-V115 HydrophobicContact CG-CG2 3.97Å; W39-V115 HydrophobicContact CZ2-CG2 4.38Å; W39-V115 PolarHBondContact NE1-O 3.38Å; L42-V115 HydrophobicContact CB-CG1 4.17Å; L42-V115 HydrophobicContact CD1-CB 4.49Å; W43-V115 HydrophobicContact CD2-CG1 4.02Å; W43-V115 HydrophobicContact CG-CG1 4.26Å; W43-V115 HydrophobicContact CZ2-CB 4.48Å; W43-V115 HydrophobicContact CZ2-CG1 3.87Å; W43-V115 HydrophobicContact CZ2-CG2 3.98Å; V88-V115 HydrophobicContact CB-CG2 4.48Å; V88-V115 HydrophobicContact CG1-CG2 3.69Å; V88-V115 HydrophobicContact CG2-CG2 3.92Å; S112-V115 WeakPolarHBondContact O-CG2 3.27Å; S112-V115 PolarHBondContact O-N 3.13Å; S112-V115 VanDerWaalsContact O-N 3.17Å; C113-V115 VanDerWaalsContact C-N 3.32Å; V115-T119 WeakPolarHBondContact O-CB 3.2Å; V115-T119 PolarHBondContact O-N 3.49Å; V115-T119 VanDerWaalsContact O-N 3.16Å; V115-T119 PolarHBondContact O-OG1 3.12Å
116G98.7Very high98.6Very high15 Ų1518.7 Ų18.716%0.15511%0.11CC..Hα-helixtrans-60.1-68.9179.100000112.1S112 N118 T119 D120S112-G116 PolarHBondContact O-N 2.93Å; G116-N118 PolarHBondContact O-N 3.44Å; G116-T119 WeakPolarHBondContact O-CB 3.26Å; G116-T119 PolarHBondContact O-N 3.38Å; G116-D120 PolarHBondContact O-N 3.42Å
117D98.9Very high98.6Very high5 Ų518.5 Ų18.53%0.02711%0.111CC..Hα-helixtrans-64.5-39.7-172.8-88.427.6000113.6C113 T119 D120 L121 T242 Y243 R245C113-D117 HydrophobicContact CB-CB 4.38Å; C113-D117 WeakPolarHBondContact O-CB 3.28Å; C113-D117 PolarHBondContact O-N 3.19Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 2.96Å; D117-D120 PolarHBondContact O-N 2.83Å; D117-L121 VanDerWaalsContact O-CG 3.31Å; D117-L121 WeakPolarHBondContact O-CG 3.49Å; D117-L121 PolarHBondContact O-N 3.19Å; D117-T242 WeakPolarHBondContact OD2-CA 3.46Å; D117-T242 WeakPolarHBondContact OD2-CB 3.43Å; D117-Y243 HydrophobicContact CB-CD1 3.65Å; D117-Y243 HydrophobicContact CB-CE1 3.88Å; D117-Y243 VanDerWaalsContact CG-CD1 3.48Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.38Å; D117-Y243 PolarHBondContact OD2-N 2.92Å; D117-R245 IonicContact OD1-CZ 2.68Å; D117-R245 IonicContact OD1-NH1 2.83Å; D117-R245 IonicContact OD1-NH2 3.55Å; D117-R245 PolarHBondContact OD1-NH2 3.37Å; D117-R245 IonicContact OD2-NH2 3.45Å
118N98.9Very high98.6Very high0 Ų017.5 Ų17.50%011%0.106CC..Hα-helixtrans-67.3-35.3177.8-76.4-45.3000111.7L42 Y114 G116 L121 I122 F195 R196 G197L42-N118 HydrophobicContact CD1-CB 3.89Å; L42-N118 HydrophobicContact CD2-CB 4.03Å; Y114-N118 WeakPolarHBondContact CD2-ND2 3.45Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.48Å; Y114-N118 PolarHBondContact O-ND2 3.23Å; G116-N118 PolarHBondContact O-N 3.44Å; N118-L121 PolarHBondContact O-N 2.8Å; N118-I122 WeakPolarHBondContact O-CD1 3.27Å; N118-I122 VanDerWaalsContact O-CG1 3.27Å; N118-I122 WeakPolarHBondContact O-CG1 3.47Å; N118-I122 PolarHBondContact O-N 3.09Å; N118-F195 HydrophobicContact CB-CD2 4.43Å; N118-F195 HydrophobicContact CB-CE1 4.19Å; N118-F195 HydrophobicContact CB-CE2 3.52Å; N118-F195 HydrophobicContact CB-CZ 3.39Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.24Å; N118-F195 VanDerWaalsContact OD1-CE1 3.26Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.08Å; N118-F195 VanDerWaalsContact OD1-CE2 3.28Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.22Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.43Å; N118-R196 WeakPolarHBondContact OD1-CB 3.35Å; N118-R196 PolarHBondContact OD1-N 3.4Å; N118-G197 PolarHBondContact ND2-O 2.87Å; N118-G197 PolarHBondContact OD1-N 2.87Å
119T98.9Very high98.6Very high0 Ų017.7 Ų17.70%011%0.108CC..Hα-helixtrans-66.4-43.5173.6-62.90000110.9K35 T38 L42 V115 G116 D117 L121 I122 I123K35-T119 HydrophobicContact CG-CG2 4.27Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.47Å; V115-T119 WeakPolarHBondContact O-CB 3.2Å; V115-T119 PolarHBondContact O-N 3.49Å; V115-T119 VanDerWaalsContact O-N 3.16Å; V115-T119 PolarHBondContact O-OG1 3.12Å; G116-T119 WeakPolarHBondContact O-CB 3.26Å; G116-T119 PolarHBondContact O-N 3.38Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 2.96Å; T119-L121 VanDerWaalsContact C-N 3.31Å; T119-L121 PolarHBondContact O-N 3.42Å; T119-I122 WeakPolarHBondContact O-CB 3.39Å; T119-I122 PolarHBondContact O-N 3.47Å; T119-I122 VanDerWaalsContact O-N 3.14Å; T119-I123 HydrophobicContact CG2-CD1 3.81Å; T119-I123 HydrophobicContact CG2-CG1 4.29Å; T119-I123 WeakPolarHBondContact O-CB 3.49Å; T119-I123 WeakPolarHBondContact O-CG1 3.4Å; T119-I123 PolarHBondContact O-N 3.22Å
120D98.9Very high98.7Very high60 Ų6018.9 Ų18.932%0.32111%0.109SC..Hα-helixtrans-58.4-44.7176.4-67.4-18.2000111G116 D117 I122 I123 L124G116-D120 PolarHBondContact O-N 3.42Å; D117-D120 PolarHBondContact O-N 2.83Å; D120-I122 VanDerWaalsContact C-N 3.35Å; D120-I122 PolarHBondContact O-N 3.46Å; D120-I123 WeakPolarHBondContact O-CB 3.15Å; D120-I123 PolarHBondContact O-N 3.15Å; D120-L124 WeakPolarHBondContact O-CB 3.25Å; D120-L124 VanDerWaalsContact O-CG 3.27Å; D120-L124 WeakPolarHBondContact O-CG 3.47Å; D120-L124 PolarHBondContact O-N 2.97Å
121L98.9Very high98.7Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-63.3-38.6176.7-68.6165.5000112.5D117 N118 T119 R125 L193 R196 F232 Y243 V247D117-L121 VanDerWaalsContact O-CG 3.31Å; D117-L121 WeakPolarHBondContact O-CG 3.49Å; D117-L121 PolarHBondContact O-N 3.19Å; N118-L121 PolarHBondContact O-N 2.8Å; T119-L121 VanDerWaalsContact C-N 3.31Å; T119-L121 PolarHBondContact O-N 3.42Å; L121-R125 WeakPolarHBondContact O-CB 3.48Å; L121-R125 PolarHBondContact O-N 2.65Å; L121-L193 HydrophobicContact CD2-CD1 3.92Å; L121-L193 HydrophobicContact CD2-CD2 4.49Å; L121-L193 HydrophobicContact CD2-CG 4.24Å; L121-R196 HydrophobicContact CD1-CB 4.07Å; L121-F232 HydrophobicContact CB-CZ 4.22Å; L121-Y243 HydrophobicContact CD1-CD1 3.75Å; L121-Y243 HydrophobicContact CD1-CE1 4.31Å; L121-Y243 HydrophobicContact CD1-CG 4.19Å; L121-Y243 HydrophobicContact CD2-CD1 4.12Å; L121-Y243 HydrophobicContact CD2-CD2 4.41Å; L121-Y243 HydrophobicContact CD2-CE1 4.16Å; L121-Y243 HydrophobicContact CD2-CE2 4.47Å; L121-Y243 HydrophobicContact CD2-CG 4.27Å; L121-Y243 HydrophobicContact CG-CD1 3.88Å; L121-Y243 HydrophobicContact CG-CE1 3.93Å; L121-Y243 HydrophobicContact CG-CG 4.45Å; L121-V247 HydrophobicContact CD2-CG1 4.42Å
122I98.9Very high98.8Very high9 Ų920 Ų205%0.04611%0.111CC..Hα-helixtrans-62.9-45.8173.1-70.5162.8000110.5T38 L42 W45 N118 T119 D120 R125 N126 F195 A230 F232T38-I122 HydrophobicContact CG2-CD1 3.89Å; L42-I122 HydrophobicContact CD2-CD1 4.35Å; W45-I122 HydrophobicContact CZ3-CD1 4.4Å; N118-I122 WeakPolarHBondContact O-CD1 3.27Å; N118-I122 VanDerWaalsContact O-CG1 3.27Å; N118-I122 WeakPolarHBondContact O-CG1 3.47Å; N118-I122 PolarHBondContact O-N 3.09Å; T119-I122 WeakPolarHBondContact O-CB 3.39Å; T119-I122 PolarHBondContact O-N 3.47Å; T119-I122 VanDerWaalsContact O-N 3.14Å; D120-I122 VanDerWaalsContact C-N 3.35Å; D120-I122 PolarHBondContact O-N 3.46Å; I122-R125 PolarHBondContact O-N 3.1Å; I122-N126 WeakPolarHBondContact O-CB 3.34Å; I122-N126 PolarHBondContact O-N 3.12Å; I122-N126 PolarHBondContact O-ND2 3.49Å; I122-N126 PolarHBondContact O-OD1 3Å; I122-F195 HydrophobicContact CD1-CE2 4.15Å; I122-F195 HydrophobicContact CG1-CE2 4.13Å; I122-A230 HydrophobicContact CD1-CB 4.46Å; I122-F232 HydrophobicContact CG1-CE2 3.87Å
123I98.9Very high98.9Very high10 Ų1019.7 Ų19.75%0.05111%0.109CC..Hα-helixtrans-59.6-48.6177.4-74.3174.2000110.3V29 F30 Y34 T119 D120 R125 N126 A127V29-I123 HydrophobicContact CG1-CB 4.41Å; V29-I123 HydrophobicContact CG1-CG2 3.92Å; F30-I123 HydrophobicContact CD1-CG2 3.58Å; F30-I123 HydrophobicContact CE1-CG2 3.27Å; F30-I123 HydrophobicContact CE2-CG2 4.26Å; F30-I123 HydrophobicContact CG-CG2 4.21Å; F30-I123 HydrophobicContact CZ-CG2 3.65Å; Y34-I123 HydrophobicContact CD1-CD1 4.49Å; Y34-I123 HydrophobicContact CD1-CG1 4.05Å; Y34-I123 HydrophobicContact CE1-CG1 4.03Å; T119-I123 HydrophobicContact CG2-CD1 3.81Å; T119-I123 HydrophobicContact CG2-CG1 4.29Å; T119-I123 WeakPolarHBondContact O-CB 3.49Å; T119-I123 WeakPolarHBondContact O-CG1 3.4Å; T119-I123 PolarHBondContact O-N 3.22Å; D120-I123 WeakPolarHBondContact O-CB 3.15Å; D120-I123 PolarHBondContact O-N 3.15Å; I123-R125 PolarHBondContact O-N 3.16Å; I123-N126 PolarHBondContact O-N 2.88Å; I123-A127 VanDerWaalsContact O-CB 3.3Å; I123-A127 WeakPolarHBondContact O-CB 3.37Å; I123-A127 PolarHBondContact O-N 2.89Å
124L98.9Very high98.9Very high29 Ų2922.2 Ų22.215%0.15212%0.118CC..Hα-helixtrans-60.1-46.3178.8-70.2176.5000111.8D120 N126 A127 L128 L193 V251D120-L124 WeakPolarHBondContact O-CB 3.25Å; D120-L124 VanDerWaalsContact O-CG 3.27Å; D120-L124 WeakPolarHBondContact O-CG 3.47Å; D120-L124 PolarHBondContact O-N 2.97Å; L124-N126 PolarHBondContact O-N 3.3Å; L124-A127 PolarHBondContact O-N 3.16Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.05Å; L124-L193 HydrophobicContact CB-CD2 4.22Å; L124-V251 HydrophobicContact CD2-CG1 4.32Å
125R98.9Very high98.9Very high38 Ų3822.9 Ų22.914%0.14312%0.121CC..Hα-helixtrans-59.8-47.2176.4-169.9-173.765.9-162.2-5.1111.4L121 I122 I123 L128 D129 L193 A230 G231 F232L121-R125 WeakPolarHBondContact O-CB 3.48Å; L121-R125 PolarHBondContact O-N 2.65Å; I122-R125 PolarHBondContact O-N 3.1Å; I123-R125 PolarHBondContact O-N 3.16Å; R125-L128 PolarHBondContact O-N 2.58Å; R125-D129 PolarHBondContact O-N 3.44Å; R125-L193 HydrophobicContact CB-CD2 4.02Å; R125-A230 PolarHBondContact NH1-O 3.48Å; R125-A230 PolarHBondContact NH2-O 3.32Å; R125-G231 PolarHBondContact NH1-O 3.16Å; R125-F232 HydrophobicContact CB-CZ 4.13Å
126N98.9Very high98.9Very high34 Ų3422.9 Ų22.918%0.18212%0.121CC..Hα-helixtrans-68.2-37-178.1-66.1-6.5000111.7V29 Y34 I122 I123 L124 D129 L130V29-N126 HydrophobicContact CG1-CB 4.31Å; V29-N126 HydrophobicContact CG2-CB 4.46Å; Y34-N126 PolarHBondContact OH-ND2 3.26Å; I122-N126 WeakPolarHBondContact O-CB 3.34Å; I122-N126 PolarHBondContact O-N 3.12Å; I122-N126 PolarHBondContact O-ND2 3.49Å; I122-N126 PolarHBondContact O-OD1 3Å; I123-N126 PolarHBondContact O-N 2.88Å; L124-N126 PolarHBondContact O-N 3.3Å; N126-D129 PolarHBondContact O-N 3.17Å; N126-L130 WeakPolarHBondContact O-CG 2.96Å; N126-L130 PolarHBondContact O-N 2.91Å
127A98.9Very high98.9Very high9 Ų924.2 Ų24.27%0.07412%0.122CC..Hα-helixtrans-62.6-43.8173.400000111.4M26 F30 I123 L124 D129 L130 L131M26-A127 HydrophobicContact CE-CB 4.27Å; M26-A127 HydrophobicContact SD-CB 3.81Å; F30-A127 HydrophobicContact CE2-CB 3.8Å; F30-A127 HydrophobicContact CZ-CB 4Å; I123-A127 VanDerWaalsContact O-CB 3.3Å; I123-A127 WeakPolarHBondContact O-CB 3.37Å; I123-A127 PolarHBondContact O-N 2.89Å; L124-A127 PolarHBondContact O-N 3.16Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.32Å; A127-L130 WeakPolarHBondContact O-CB 3.43Å; A127-L130 PolarHBondContact O-N 3.32Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.44Å
128L98.8Very high98.8Very high4 Ų427.5 Ų27.52%0.02114%0.142CC..Hα-helixtrans-61.6-41.9173.6-70.5166.3000111.6L124 R125 L130 L131 L132 L186 V189 R190L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.05Å; R125-L128 PolarHBondContact O-N 2.58Å; L128-L130 PolarHBondContact O-N 3.37Å; L128-L131 PolarHBondContact O-N 3.41Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.45Å; L128-L132 PolarHBondContact O-N 3Å; L128-L186 HydrophobicContact CD2-CG 4.22Å; L128-V189 HydrophobicContact CD1-CG1 4.07Å; L128-R190 HydrophobicContact CB-CB 4.03Å; L128-R190 HydrophobicContact CB-CG 3.97Å; L128-R190 HydrophobicContact CD1-CB 3.92Å; L128-R190 HydrophobicContact CD1-CG 4.43Å
129D98.8Very high98.8Very high55 Ų5527.5 Ų27.529%0.29414%0.142SC..Hα-helixtrans-63.1-26.9176-76.5-18.2000113.1R125 N126 A127 P133 R190R125-D129 PolarHBondContact O-N 3.44Å; N126-D129 PolarHBondContact O-N 3.17Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.32Å; D129-P133 WeakPolarHBondContact O-CD 3.31Å; D129-P133 WeakPolarHBondContact O-CG 3.25Å; D129-R190 IonicContact OD1-CZ 2.83Å; D129-R190 VanDerWaalsContact OD1-CZ 3.31Å; D129-R190 IonicContact OD1-NE 3.31Å; D129-R190 PolarHBondContact OD1-NE 3.37Å; D129-R190 IonicContact OD1-NH2 2.67Å; D129-R190 PolarHBondContact OD1-NH2 2.92Å; D129-R190 IonicContact OD2-CZ 2.79Å; D129-R190 IonicContact OD2-NE 3.65Å; D129-R190 PolarHBondContact OD2-NE 2.97Å; D129-R190 IonicContact OD2-NH2 3.21Å; D129-R190 PolarHBondContact OD2-NH2 2.91Å
130L98.8Very high98.8Very high46 Ų4628.2 Ų28.224%0.24115%0.147CC..Hα-helixtrans-78.6-32.4171.5-70.6176000113.2E25 M26 V29 N126 A127 L128 K134E25-L130 HydrophobicContact CB-CD1 4.18Å; E25-L130 HydrophobicContact CB-CD2 4.22Å; M26-L130 HydrophobicContact CE-CB 3.71Å; M26-L130 HydrophobicContact CE-CD1 4.04Å; M26-L130 HydrophobicContact SD-CD1 4.18Å; V29-L130 HydrophobicContact CG2-CD1 3.86Å; N126-L130 WeakPolarHBondContact O-CG 2.96Å; N126-L130 PolarHBondContact O-N 2.91Å; A127-L130 WeakPolarHBondContact O-CB 3.43Å; A127-L130 PolarHBondContact O-N 3.32Å; L128-L130 PolarHBondContact O-N 3.37Å; L130-K134 WeakPolarHBondContact O-CD 3.03Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å
131L98.9Very high98.8Very high49 Ų4930.4 Ų30.426%0.25715%0.15SC..Hα-helixtrans-77.2-45.5-178.8-70.5177.5000112.5M26 A127 L128 K134 L135 L186 L255M26-L131 HydrophobicContact CE-CD2 3.97Å; M26-L131 HydrophobicContact CE-CG 3.96Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.44Å; L128-L131 PolarHBondContact O-N 3.41Å; L131-K134 WeakPolarHBondContact O-CA 3.3Å; L131-K134 WeakPolarHBondContact O-CB 3.38Å; L131-K134 PolarHBondContact O-N 3.31Å; L131-L135 PolarHBondContact O-N 2.83Å; L131-L186 HydrophobicContact CB-CD2 4.14Å; L131-L186 HydrophobicContact CD1-CD2 4.46Å; L131-L255 HydrophobicContact CD1-CD2 3.77Å
132L98.9Very high98.7Very high7 Ų732 Ų324%0.03716%0.159CC..Hα-helixtrans-48.8-53.3-177.1-74.8168.2000114L128 K134 L135 A136 L183 L186 K187 R190 Y369L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.45Å; L128-L132 PolarHBondContact O-N 3Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 2.85Å; L132-A136 WeakPolarHBondContact O-CB 3.33Å; L132-A136 PolarHBondContact O-N 2.94Å; L132-L183 HydrophobicContact CD2-CD1 3.75Å; L132-L186 HydrophobicContact CD2-CB 3.71Å; L132-K187 HydrophobicContact CD2-CB 4.15Å; L132-R190 HydrophobicContact CD1-CB 4.34Å; L132-R190 HydrophobicContact CD1-CG 4.21Å; L132-Y369 HydrophobicContact CB-CE1 3.89Å
133P98.7Very high98.7Very high24 Ų2431.6 Ų31.616%0.15616%0.157CC..Hα-helixtrans-68.9-27.1179.628.1-36.4000113D129 R137 Y369 V372D129-P133 WeakPolarHBondContact O-CD 3.31Å; D129-P133 WeakPolarHBondContact O-CG 3.25Å; P133-R137 WeakPolarHBondContact O-CG 3.47Å; P133-R137 PolarHBondContact O-N 3.24Å; P133-R137 VanDerWaalsContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 2.99Å; P133-Y369 HydrophobicContact CB-CD1 4.26Å; P133-V372 HydrophobicContact CB-CG2 3.81Å
134K98.8Very high98.6Very high72 Ų7235 Ų3531%0.31318%0.175SC..Hα-helixtrans-69.2-47174.6-66.9176.4-175.9-172.60110.4S23 L130 L131 L132 R137 V138S23-K134 PolarHBondContact OG-NZ 2.97Å; L130-K134 WeakPolarHBondContact O-CD 3.03Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L131-K134 WeakPolarHBondContact O-CA 3.3Å; L131-K134 WeakPolarHBondContact O-CB 3.38Å; L131-K134 PolarHBondContact O-N 3.31Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 2.96Å; K134-R137 VanDerWaalsContact CG-NH2 3.3Å; K134-R137 PolarHBondContact O-N 3.08Å; K134-V138 WeakPolarHBondContact O-CG2 3.24Å; K134-V138 PolarHBondContact O-N 3.41Å
135L98.8Very high98.4Very high14 Ų1437.4 Ų37.47%0.07318%0.184CC..Hα-helixtrans-62.2-44.4176.4179.656.1000111.6L131 L132 R137 V138 I139 L179 D182 L183 L186 L258L131-L135 PolarHBondContact O-N 2.83Å; L132-L135 PolarHBondContact O-N 2.85Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.16Å; L135-V138 WeakPolarHBondContact O-CB 2.99Å; L135-V138 PolarHBondContact O-N 3.19Å; L135-V138 VanDerWaalsContact O-N 3.1Å; L135-I139 HydrophobicContact CD1-CD1 4.22Å; L135-I139 HydrophobicContact CD1-CG1 4.44Å; L135-I139 HydrophobicContact CG-CD1 4.05Å; L135-I139 WeakPolarHBondContact O-CG1 3.47Å; L135-I139 PolarHBondContact O-N 3.37Å; L135-L179 HydrophobicContact CD1-CB 4.22Å; L135-L179 HydrophobicContact CD1-CD2 3.84Å; L135-D182 HydrophobicContact CD2-CB 4.12Å; L135-L183 HydrophobicContact CB-CD1 4.32Å; L135-L183 HydrophobicContact CD2-CB 3.88Å; L135-L183 HydrophobicContact CD2-CD1 4.05Å; L135-L183 HydrophobicContact CG-CB 4.29Å; L135-L183 HydrophobicContact CG-CD1 4.16Å; L135-L186 HydrophobicContact CD2-CD2 4.21Å; L135-L258 HydrophobicContact CD1-CD1 4.14Å
136A98.8Very high98.3Very high0 Ų035.6 Ų35.60%018%0.178CC..Hα-helixtrans-58.7-38.8175.400000112.4L132 I139 S140 L183 L366 Y369 M373L132-A136 WeakPolarHBondContact O-CB 3.33Å; L132-A136 PolarHBondContact O-N 2.94Å; A136-I139 PolarHBondContact O-N 3.48Å; A136-S140 WeakPolarHBondContact O-CB 3.47Å; A136-S140 PolarHBondContact O-N 3.48Å; A136-L183 HydrophobicContact CB-CD1 4.49Å; A136-L183 HydrophobicContact CB-CD2 4.44Å; A136-L366 HydrophobicContact CB-CD2 4Å; A136-L366 WeakPolarHBondContact O-CD2 3.31Å; A136-Y369 HydrophobicContact CB-CD1 4.3Å; A136-Y369 HydrophobicContact CB-CD2 3.65Å; A136-Y369 HydrophobicContact CB-CE2 4.25Å; A136-Y369 HydrophobicContact CB-CG 3.68Å; A136-M373 HydrophobicContact CB-CE 4Å
137R98.8Very high98.2Very high44 Ų4440.6 Ų40.617%0.16620%0.198CC..Hα-helixtrans-65.6-40.8173.1-79.7-170.4-64-85.90.1113.1P133 K134 L135 I139 S140 R141 V372 M373 V375P133-R137 WeakPolarHBondContact O-CG 3.47Å; P133-R137 PolarHBondContact O-N 3.24Å; P133-R137 VanDerWaalsContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 2.99Å; K134-R137 VanDerWaalsContact CG-NH2 3.3Å; K134-R137 PolarHBondContact O-N 3.08Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.16Å; R137-I139 VanDerWaalsContact C-N 3.33Å; R137-S140 PolarHBondContact O-N 2.98Å; R137-R141 WeakPolarHBondContact O-CG 3.38Å; R137-R141 PolarHBondContact O-N 3.2Å; R137-V372 WeakPolarHBondContact CD-O 3.48Å; R137-V372 PolarHBondContact NH1-O 3.47Å; R137-M373 HydrophobicContact CG-SD 3.8Å; R137-V375 WeakPolarHBondContact CD-O 3.23Å
138V98.4Very high98Very high74 Ų7446.3 Ų46.345%0.44822%0.223SC..Hα-helixtrans-58.9-48.8175.2173.70000109.9K134 L135 S140 R141 L142 L179K134-V138 WeakPolarHBondContact O-CG2 3.24Å; K134-V138 PolarHBondContact O-N 3.41Å; L135-V138 WeakPolarHBondContact O-CB 2.99Å; L135-V138 PolarHBondContact O-N 3.19Å; L135-V138 VanDerWaalsContact O-N 3.1Å; V138-S140 PolarHBondContact O-N 3.39Å; V138-R141 PolarHBondContact O-N 3.35Å; V138-L142 HydrophobicContact CG1-CD1 4.03Å; V138-L142 WeakPolarHBondContact O-CG 3.36Å; V138-L142 PolarHBondContact O-N 2.97Å; V138-L179 HydrophobicContact CG1-CD1 3.86Å
139I98.7Very high97.6Very high0 Ų050.6 Ų50.60%024%0.239CC..Hα-helixtrans-58.7-47.8176.8-67.3164.5000110.7L135 A136 R137 R141 L142 A143 I176 L179 L183 V362 L366L135-I139 HydrophobicContact CD1-CD1 4.22Å; L135-I139 HydrophobicContact CD1-CG1 4.44Å; L135-I139 HydrophobicContact CG-CD1 4.05Å; L135-I139 WeakPolarHBondContact O-CG1 3.47Å; L135-I139 PolarHBondContact O-N 3.37Å; A136-I139 PolarHBondContact O-N 3.48Å; R137-I139 VanDerWaalsContact C-N 3.33Å; I139-R141 PolarHBondContact O-N 3.01Å; I139-L142 PolarHBondContact O-N 3.4Å; I139-A143 WeakPolarHBondContact O-CB 3.48Å; I139-A143 PolarHBondContact O-N 3.29Å; I139-I176 HydrophobicContact CG2-CG2 4.12Å; I139-L179 HydrophobicContact CD1-CB 4.04Å; I139-L179 WeakPolarHBondContact CD1-O 3.4Å; I139-L179 HydrophobicContact CG1-CB 3.66Å; I139-L179 HydrophobicContact CG1-CD1 4.41Å; I139-L183 HydrophobicContact CD1-CB 3.92Å; I139-L183 HydrophobicContact CD1-CD2 3.9Å; I139-L183 HydrophobicContact CD1-CG 4.44Å; I139-V362 HydrophobicContact CG2-CG1 3.64Å; I139-L366 HydrophobicContact CB-CD2 4.02Å; I139-L366 HydrophobicContact CG2-CD1 4.15Å; I139-L366 HydrophobicContact CG2-CD2 3.75Å; I139-L366 HydrophobicContact CG2-CG 4.22Å
140S98.6Very high97.3Very high15 Ų1548.7 Ų48.711%0.10523%0.23CC..Hα-helixtrans-57.7-47.1177.9169.30000112.4A136 R137 V138 L142 A143 D144A136-S140 WeakPolarHBondContact O-CB 3.47Å; A136-S140 PolarHBondContact O-N 3.48Å; R137-S140 PolarHBondContact O-N 2.98Å; V138-S140 PolarHBondContact O-N 3.39Å; S140-L142 PolarHBondContact O-N 3Å; S140-A143 WeakPolarHBondContact O-CB 3.26Å; S140-A143 PolarHBondContact O-N 3.17Å; S140-D144 VanDerWaalsContact O-CG 3.31Å; S140-D144 PolarHBondContact O-N 2.82Å
141R98.1Very high96.9Very high106 Ų10650.6 Ų50.640%0.425%0.247SC..Hα-helixtrans-67.1-37.5-180-66.9-61-177.4-79.8-9112.6R137 V138 I139 A143 F145 M373R137-R141 WeakPolarHBondContact O-CG 3.38Å; R137-R141 PolarHBondContact O-N 3.2Å; V138-R141 PolarHBondContact O-N 3.35Å; I139-R141 PolarHBondContact O-N 3.01Å; R141-A143 VanDerWaalsContact C-N 3.34Å; R141-F145 WeakPolarHBondContact O-CB 3.26Å; R141-F145 PolarHBondContact O-N 3.28Å; R141-F145 VanDerWaalsContact O-N 3.09Å; R141-M373 PolarHBondContact NH1-O 3.21Å; R141-M373 PolarHBondContact NH2-O 3.03Å
142L97.1Very high96.1Very high34 Ų3451.9 Ų51.918%0.17825%0.254CS..Hα-helixtrans-67.8-36.2173.2-69.7176.2000111.4V138 I139 S140 F145 A146 C172 I176 L179V138-L142 HydrophobicContact CG1-CD1 4.03Å; V138-L142 WeakPolarHBondContact O-CG 3.36Å; V138-L142 PolarHBondContact O-N 2.97Å; I139-L142 PolarHBondContact O-N 3.4Å; S140-L142 PolarHBondContact O-N 3Å; L142-F145 PolarHBondContact O-N 2.97Å; L142-A146 VanDerWaalsContact O-CB 3.23Å; L142-A146 WeakPolarHBondContact O-CB 3.34Å; L142-A146 PolarHBondContact O-N 3.07Å; L142-C172 PolarHBondContact O-SG 3.27Å; L142-I176 HydrophobicContact CB-CD1 3.96Å; L142-I176 HydrophobicContact CB-CG1 3.63Å; L142-I176 HydrophobicContact CD1-CG1 4.43Å; L142-L179 HydrophobicContact CD1-CD1 3.63Å
143A98.5Very high95.3Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-64.7-43.2175.300000112.1I139 S140 R141 A146 K147 I176 L358 V362 Y363I139-A143 WeakPolarHBondContact O-CB 3.48Å; I139-A143 PolarHBondContact O-N 3.29Å; S140-A143 WeakPolarHBondContact O-CB 3.26Å; S140-A143 PolarHBondContact O-N 3.17Å; R141-A143 VanDerWaalsContact C-N 3.34Å; A143-A146 PolarHBondContact O-N 3.01Å; A143-K147 WeakPolarHBondContact O-CB 3.46Å; A143-K147 PolarHBondContact O-N 2.95Å; A143-I176 HydrophobicContact CB-CD1 4.38Å; A143-L358 HydrophobicContact CB-CD2 3.77Å; A143-V362 HydrophobicContact CB-CG1 4.22Å; A143-Y363 HydrophobicContact CB-CE1 4.28Å
144D97.8Very high94.2Very high82 Ų8253.4 Ų53.444%0.43926%0.264SS..Hα-helixtrans-58.1-48.8173.5-65.3-26.1000110.5S140 A146 K147 E148S140-D144 VanDerWaalsContact O-CG 3.31Å; S140-D144 PolarHBondContact O-N 2.82Å; D144-A146 PolarHBondContact O-N 3.48Å; D144-K147 PolarHBondContact O-N 3.3Å; D144-E148 WeakPolarHBondContact O-CB 3.5Å; D144-E148 PolarHBondContact O-N 2.96Å
145F95.2Very high93.1Very high79 Ų7950.3 Ų50.335%0.34625%0.251SS..Hα-helixtrans-62-42.9176.6179.1-95.9000112.6R141 L142 K147 E148 R149 V168 C172R141-F145 WeakPolarHBondContact O-CB 3.26Å; R141-F145 PolarHBondContact O-N 3.28Å; R141-F145 VanDerWaalsContact O-N 3.09Å; L142-F145 PolarHBondContact O-N 2.97Å; F145-K147 VanDerWaalsContact C-N 3.32Å; F145-K147 PolarHBondContact O-N 2.82Å; F145-E148 PolarHBondContact O-N 2.84Å; F145-R149 HydrophobicContact CD2-CG 4.26Å; F145-R149 HydrophobicContact CE1-CG 4.38Å; F145-R149 HydrophobicContact CE2-CG 3.97Å; F145-R149 HydrophobicContact CZ-CG 4.03Å; F145-R149 WeakPolarHBondContact O-CB 3.39Å; F145-R149 WeakPolarHBondContact O-CG 2.98Å; F145-R149 PolarHBondContact O-N 3.43Å; F145-V168 HydrophobicContact CE1-CG1 3.65Å; F145-V168 HydrophobicContact CZ-CG1 3.71Å; F145-C172 HydrophobicContact CD1-CB 4.18Å; F145-C172 HydrophobicContact CE1-CB 4.46Å
146A95.4Very high92Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-63.6-41179.700000111.3L142 A143 D144 R149 A150 G169 C172 I176 V354L142-A146 VanDerWaalsContact O-CB 3.23Å; L142-A146 WeakPolarHBondContact O-CB 3.34Å; L142-A146 PolarHBondContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.01Å; D144-A146 PolarHBondContact O-N 3.48Å; A146-R149 CarbonylContact O-C 3.44Å; A146-R149 PolarHBondContact O-N 2.94Å; A146-A150 VanDerWaalsContact O-CA 3.3Å; A146-A150 WeakPolarHBondContact O-CA 3.48Å; A146-A150 WeakPolarHBondContact O-CB 3.3Å; A146-A150 PolarHBondContact O-N 3.07Å; A146-G169 WeakPolarHBondContact O-CA 3.27Å; A146-C172 HydrophobicContact CB-CB 3.9Å; A146-I176 HydrophobicContact CB-CD1 3.83Å; A146-V354 HydrophobicContact CB-CG1 4.44Å
147K98.1Very high91Very high138 Ų13851.5 Ų51.560%0.626%0.258SS*.Hα-helixtrans-64.6-48.7175.6-173.7177.6-179178.70111.6A143 D144 F145 R149 A150 L358A143-K147 WeakPolarHBondContact O-CB 3.46Å; A143-K147 PolarHBondContact O-N 2.95Å; D144-K147 PolarHBondContact O-N 3.3Å; F145-K147 VanDerWaalsContact C-N 3.32Å; F145-K147 PolarHBondContact O-N 2.82Å; K147-R149 PolarHBondContact O-N 3.28Å; K147-A150 WeakPolarHBondContact O-CB 3.41Å; K147-A150 PolarHBondContact O-N 2.98Å; K147-L358 HydrophobicContact CB-CD1 3.88Å
148E94.8Very high89.9Confident129 Ų12953.2 Ų53.260%0.60327%0.274SS*.Hα-helixtrans-58.7-36.4178.2-171.5-167.6140.300111.8D144 F145D144-E148 WeakPolarHBondContact O-CB 3.5Å; D144-E148 PolarHBondContact O-N 2.96Å; F145-E148 PolarHBondContact O-N 2.84Å
149R88.8Confident89Confident95 Ų9558.5 Ų58.536%0.35829%0.293SS..THydrogen-bonded Turntrans-105.318.3-175.4-52-59.3174.7154-4.7113.4F145 A146 K147 S151 L152 V168 G169F145-R149 HydrophobicContact CD2-CG 4.26Å; F145-R149 HydrophobicContact CE1-CG 4.38Å; F145-R149 HydrophobicContact CE2-CG 3.97Å; F145-R149 HydrophobicContact CZ-CG 4.03Å; F145-R149 WeakPolarHBondContact O-CB 3.39Å; F145-R149 WeakPolarHBondContact O-CG 2.98Å; F145-R149 PolarHBondContact O-N 3.43Å; A146-R149 CarbonylContact O-C 3.44Å; A146-R149 PolarHBondContact O-N 2.94Å; K147-R149 PolarHBondContact O-N 3.28Å; R149-S151 PolarHBondContact O-N 2.94Å; R149-L152 HydrophobicContact CB-CB 4.4Å; R149-L152 PolarHBondContact O-N 3.3Å; R149-V168 HydrophobicContact CB-CB 3.94Å; R149-V168 HydrophobicContact CB-CG1 3.82Å; R149-V168 HydrophobicContact CG-CG1 4.22Å; R149-G169 WeakPolarHBondContact O-CA 3.39Å; R149-G169 PolarHBondContact O-N 3.45Å
150A93.8Very high87.5Confident14 Ų1463.2 Ų63.212%0.11631%0.314CS..THydrogen-bonded Turntrans-59.8-33.7-173.500000113.1A146 K147 T167 V354A146-A150 VanDerWaalsContact O-CA 3.3Å; A146-A150 WeakPolarHBondContact O-CA 3.48Å; A146-A150 WeakPolarHBondContact O-CB 3.3Å; A146-A150 PolarHBondContact O-N 3.07Å; K147-A150 WeakPolarHBondContact O-CB 3.41Å; K147-A150 PolarHBondContact O-N 2.98Å; A150-T167 WeakPolarHBondContact O-CB 3.39Å; A150-T167 VanDerWaalsContact O-CG2 3.28Å; A150-T167 WeakPolarHBondContact O-CG2 3.38Å; A150-T167 PolarHBondContact O-OG1 3.29Å; A150-V354 HydrophobicContact CB-CB 4.11Å; A150-V354 HydrophobicContact CB-CG1 3.86Å; A150-V354 HydrophobicContact CB-CG2 4.37Å
151S91Very high85.8Confident86 Ų8668.1 Ų68.160%0.60134%0.335SS*.THydrogen-bonded Turntrans-106.54.2-177-550000113.8R149 P153R149-S151 PolarHBondContact O-N 2.94Å; S151-P153 WeakPolarHBondContact O-CD 3.3Å
152L80.6Confident84.3Confident76 Ų7665.2 Ų65.240%0.39833%0.33SS..  trans-80.1107-179.6176.258.7000110R149 T167 V168R149-L152 HydrophobicContact CB-CB 4.4Å; R149-L152 PolarHBondContact O-N 3.3Å; L152-T167 CarbonylContact O-C 3.02Å; L152-T167 WeakPolarHBondContact O-CA 3.33Å; L152-T167 VanDerWaalsContact O-CB 3.28Å; L152-T167 WeakPolarHBondContact O-CB 3.4Å; L152-V168 HydrophobicContact CB-CB 4.39Å; L152-V168 HydrophobicContact CB-CG2 4.38Å; L152-V168 HydrophobicContact CD2-CB 4.16Å; L152-V168 HydrophobicContact CD2-CG2 3.73Å; L152-V168 HydrophobicContact CG-CB 4.39Å; L152-V168 HydrophobicContact CG-CG2 3.89Å; L152-V168 PolarHBondContact O-N 2.82Å
153P81.9Confident83.3Confident40 Ų4064.6 Ų64.626%0.2633%0.33SS..EExtended strand (participates in β ladder)trans-63.9146.4-178.5-20.135.9000111.4S151 T166 P343 T347S151-P153 WeakPolarHBondContact O-CD 3.3Å; P153-T166 CarbonylContact C-O 3.53Å; P153-T166 WeakPolarHBondContact CA-O 3.31Å; P153-P343 HydrophobicContact CB-CB 3.87Å; P153-P343 HydrophobicContact CG-CB 4.11Å; P153-T347 HydrophobicContact CB-CG2 3.61Å; P153-T347 HydrophobicContact CG-CG2 3.86Å
154T76.8Confident82.3Confident23 Ų2372.9 Ų72.914%0.14137%0.368CS..EExtended strand (participates in β ladder)trans-154.2154.8175.8-173.10000110.3G156 L165 T166 V168 R171T154-G156 PolarHBondContact O-N 3.03Å; T154-L165 VanDerWaalsContact C-CD2 3.48Å; T154-L165 VanDerWaalsContact O-CD2 3.27Å; T154-L165 WeakPolarHBondContact O-CD2 3.38Å; T154-T166 HydrophobicContact CG2-CG2 3.63Å; T154-T166 PolarHBondContact N-O 3.15Å; T154-T166 PolarHBondContact O-N 3.36Å; T154-V168 HydrophobicContact CG2-CG2 3.95Å; T154-R171 PolarHBondContact OG1-NH1 3.48Å
155L74.8Confident81.5Confident7 Ų770.3 Ų70.34%0.03736%0.355CS..EExtended strand (participates in β ladder)trans-49.6127.7175.8-169.331.2000111.6F157 P162 A163 R171 E273 L274 M277L155-F157 HydrophobicContact CB-CD2 4.29Å; L155-F157 HydrophobicContact CB-CE2 3.63Å; L155-F157 HydrophobicContact CB-CZ 3.87Å; L155-F157 HydrophobicContact CD2-CD1 4.25Å; L155-F157 HydrophobicContact CD2-CE1 3.42Å; L155-F157 VanDerWaalsContact CD2-CE1 3.42Å; L155-F157 HydrophobicContact CD2-CE2 3.91Å; L155-F157 HydrophobicContact CD2-CZ 3.21Å; L155-F157 HydrophobicContact CG-CD1 4.29Å; L155-F157 HydrophobicContact CG-CD2 4.13Å; L155-F157 HydrophobicContact CG-CE1 3.85Å; L155-F157 HydrophobicContact CG-CE2 3.64Å; L155-F157 HydrophobicContact CG-CG 4.43Å; L155-F157 HydrophobicContact CG-CZ 3.5Å; L155-F157 VanDerWaalsContact CG-CZ 3.5Å; L155-P162 HydrophobicContact CD1-CB 3.85Å; L155-P162 HydrophobicContact CD2-CB 3.91Å; L155-P162 HydrophobicContact CD2-CG 4.01Å; L155-P162 HydrophobicContact CG-CB 4.47Å; L155-A163 WeakPolarHBondContact CD1-O 3.47Å; L155-R171 PolarHBondContact O-NH2 3.43Å; L155-E273 WeakPolarHBondContact CD2-O 3.41Å; L155-L274 HydrophobicContact CB-CD1 3.32Å; L155-L274 HydrophobicContact CB-CG 4.46Å; L155-L274 HydrophobicContact CD1-CD1 3.46Å; L155-L274 VanDerWaalsContact CD1-CD1 3.46Å; L155-L274 HydrophobicContact CD1-CG 4.26Å; L155-L274 VanDerWaalsContact CD2-CA 3.5Å; L155-L274 HydrophobicContact CD2-CB 3.73Å; L155-L274 HydrophobicContact CD2-CD1 3.58Å; L155-L274 HydrophobicContact CD2-CG 3.87Å; L155-L274 HydrophobicContact CG-CD1 3.57Å; L155-L274 HydrophobicContact CG-CG 4.39Å; L155-M277 HydrophobicContact CD1-CE 3.23Å; L155-M277 HydrophobicContact CD1-SD 3.1Å; L155-M277 WeakPolarHBondContact CD1-SD 3.16Å
156G77Confident81.2Confident8 Ų868 Ų688%0.08235%0.347CS..EExtended strand (participates in β ladder)trans-73150.1158.800000111.5T154 A163 Q164T154-G156 PolarHBondContact O-N 3.03Å; G156-A163 PolarHBondContact N-O 3.29Å; G156-A163 PolarHBondContact O-N 3.3Å; G156-Q164 VanDerWaalsContact CA-O 3.22Å; G156-Q164 WeakPolarHBondContact CA-O 3.44Å; G156-Q164 PolarHBondContact N-O 3.4Å
157F76Confident80.7Confident31 Ų3168 Ų6814%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-131.1126.3175.5-72-80.3000110.5L155 F160 Q161 Q272L155-F157 HydrophobicContact CB-CD2 4.29Å; L155-F157 HydrophobicContact CB-CE2 3.63Å; L155-F157 HydrophobicContact CB-CZ 3.87Å; L155-F157 HydrophobicContact CD2-CD1 4.25Å; L155-F157 HydrophobicContact CD2-CE1 3.42Å; L155-F157 VanDerWaalsContact CD2-CE1 3.42Å; L155-F157 HydrophobicContact CD2-CE2 3.91Å; L155-F157 HydrophobicContact CD2-CZ 3.21Å; L155-F157 HydrophobicContact CG-CD1 4.29Å; L155-F157 HydrophobicContact CG-CD2 4.13Å; L155-F157 HydrophobicContact CG-CE1 3.85Å; L155-F157 HydrophobicContact CG-CE2 3.64Å; L155-F157 HydrophobicContact CG-CG 4.43Å; L155-F157 HydrophobicContact CG-CZ 3.5Å; L155-F157 VanDerWaalsContact CG-CZ 3.5Å; F157-F160 HydrophobicContact CB-CD2 4.48Å; F157-F160 AromaticContact CD1-CD2 3.96Å; F157-F160 HydrophobicContact CD1-CD2 3.96Å; F157-F160 AromaticContact CD1-CE2 3.93Å; F157-F160 HydrophobicContact CD1-CE2 3.93Å; F157-F160 HydrophobicContact CE1-CD2 4.47Å; F157-F160 AromaticContact CE1-CE2 4Å; F157-F160 HydrophobicContact CE1-CE2 4Å; F157-F160 HydrophobicContact CG-CD2 4.3Å; F157-F160 HydrophobicContact CG-CE2 4.37Å; F157-Q161 WeakPolarHBondContact CA-O 3.47Å; F157-Q272 HydrophobicContact CD2-CG 4.28Å; F157-Q272 HydrophobicContact CE2-CB 3.87Å; F157-Q272 HydrophobicContact CE2-CG 3.48Å; F157-Q272 VanDerWaalsContact CE2-CG 3.48Å; F157-Q272 HydrophobicContact CZ-CB 3.94Å; F157-Q272 HydrophobicContact CZ-CG 4.01Å
158T77.4Confident80.1Confident81 Ų8163 Ų6350%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-133.2135.6170.759.80000108.3F160 Q161 A163T158-F160 PolarHBondContact O-N 2.91Å; T158-F160 VanDerWaalsContact O-N 3.07Å; T158-Q161 PolarHBondContact N-O 3.11Å; T158-Q161 PolarHBondContact O-N 3.24Å; T158-A163 HydrophobicContact CG2-CB 4.11Å
159H78Confident80Confident184 Ų18456.9 Ų56.985%0.85230%0.299SS*.THydrogen-bonded Turntrans5423.6-166.5-45.594000112.9Q161H159-Q161 PolarHBondContact O-N 3.06Å; H159-Q161 VanDerWaalsContact O-N 3.12Å
160F66.9Low80.3Confident100 Ų10054.8 Ų54.844%0.43929%0.293SS..THydrogen-bonded Turntrans54.224.7-170.5-166-126.5000114.7F157 T158 R271F157-F160 HydrophobicContact CB-CD2 4.48Å; F157-F160 AromaticContact CD1-CD2 3.96Å; F157-F160 HydrophobicContact CD1-CD2 3.96Å; F157-F160 AromaticContact CD1-CE2 3.93Å; F157-F160 HydrophobicContact CD1-CE2 3.93Å; F157-F160 HydrophobicContact CE1-CD2 4.47Å; F157-F160 AromaticContact CE1-CE2 4Å; F157-F160 HydrophobicContact CE1-CE2 4Å; F157-F160 HydrophobicContact CG-CD2 4.3Å; F157-F160 HydrophobicContact CG-CE2 4.37Å; T158-F160 PolarHBondContact O-N 2.91Å; T158-F160 VanDerWaalsContact O-N 3.07Å; F160-R271 HydrophobicContact CE1-CB 4.02Å; F160-R271 HydrophobicContact CE1-CG 4.23Å; F160-R271 HydrophobicContact CE2-CB 3.71Å; F160-R271 WeakPolarHBondContact CE2-O 3.4Å; F160-R271 HydrophobicContact CZ-CB 3.39Å; F160-R271 HydrophobicContact CZ-CG 4.08Å; F160-R271 WeakPolarHBondContact CZ-O 3.34Å
161Q63.1Low80.3Confident117 Ų11754.7 Ų54.755%0.54729%0.289SS..EExtended strand (participates in β ladder)trans-103.8153.3170.5-65.2-60.7-56.500110.2F157 T158 H159 A163F157-Q161 WeakPolarHBondContact CA-O 3.47Å; T158-Q161 PolarHBondContact N-O 3.11Å; T158-Q161 PolarHBondContact O-N 3.24Å; H159-Q161 PolarHBondContact O-N 3.06Å; H159-Q161 VanDerWaalsContact O-N 3.12Å; Q161-A163 PolarHBondContact O-N 2.88Å
162P67.9Low80.5Confident46 Ų4650.6 Ų50.630%0.29926%0.261SS..EExtended strand (participates in β ladder)trans-50.9131174-28.936.3000112.5L155 M277L155-P162 HydrophobicContact CD1-CB 3.85Å; L155-P162 HydrophobicContact CD2-CB 3.91Å; L155-P162 HydrophobicContact CD2-CG 4.01Å; L155-P162 HydrophobicContact CG-CB 4.47Å; P162-M277 HydrophobicContact CB-SD 4.06Å
163A74.8Confident81.3Confident21 Ų2147.3 Ų47.317%0.17424%0.244CC..EExtended strand (participates in β ladder)trans-139.7174.9178.700000110.6L155 G156 T158 Q161 L165 M277L155-A163 WeakPolarHBondContact CD1-O 3.47Å; G156-A163 PolarHBondContact N-O 3.29Å; G156-A163 PolarHBondContact O-N 3.3Å; T158-A163 HydrophobicContact CG2-CB 4.11Å; Q161-A163 PolarHBondContact O-N 2.88Å; A163-L165 PolarHBondContact O-N 2.82Å; A163-M277 WeakPolarHBondContact O-CE 3.31Å; A163-M277 WeakPolarHBondContact O-CG 3.28Å
164Q78.4Confident82Confident173 Ų17348.5 Ų48.581%0.80825%0.248SC*.EExtended strand (participates in β ladder)trans-44.3141.3-178.1-72.1-176.3-22.100113.1G156G156-Q164 VanDerWaalsContact CA-O 3.22Å; G156-Q164 WeakPolarHBondContact CA-O 3.44Å; G156-Q164 PolarHBondContact N-O 3.4Å
165L80.1Confident83Confident29 Ų2948.7 Ų48.715%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-58.3145.7-177.1-71.8177.9000111.6T154 A163 L274 M277 P343 F346 T347T154-L165 VanDerWaalsContact C-CD2 3.48Å; T154-L165 VanDerWaalsContact O-CD2 3.27Å; T154-L165 WeakPolarHBondContact O-CD2 3.38Å; A163-L165 PolarHBondContact O-N 2.82Å; L165-L274 HydrophobicContact CD2-CD1 4.27Å; L165-M277 HydrophobicContact CB-CE 4.43Å; L165-M277 HydrophobicContact CD2-CE 3.23Å; L165-M277 HydrophobicContact CG-CE 3.48Å; L165-M277 VanDerWaalsContact CG-CE 3.48Å; L165-P343 HydrophobicContact CD1-CB 3.82Å; L165-F346 HydrophobicContact CB-CB 3.9Å; L165-F346 HydrophobicContact CD1-CB 3.52Å; L165-F346 HydrophobicContact CD1-CD2 4.39Å; L165-F346 HydrophobicContact CD1-CG 4.15Å; L165-F346 HydrophobicContact CG-CB 4.03Å; L165-T347 HydrophobicContact CB-CG2 4.38Å
166T89.3Confident84.1Confident29 Ų2948.4 Ų48.418%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-126.4-167168-1660000108.4P153 T154P153-T166 CarbonylContact C-O 3.53Å; P153-T166 WeakPolarHBondContact CA-O 3.31Å; T154-T166 HydrophobicContact CG2-CG2 3.63Å; T154-T166 PolarHBondContact N-O 3.15Å; T154-T166 PolarHBondContact O-N 3.36Å
167T86.1Confident85.1Confident0 Ų052.6 Ų52.60%026%0.262CS..EExtended strand (participates in β ladder)trans-117.3153.6169.561.90000110.9A150 L152 G169 K170 R171 T347 A350A150-T167 WeakPolarHBondContact O-CB 3.39Å; A150-T167 VanDerWaalsContact O-CG2 3.28Å; A150-T167 WeakPolarHBondContact O-CG2 3.38Å; A150-T167 PolarHBondContact O-OG1 3.29Å; L152-T167 CarbonylContact O-C 3.02Å; L152-T167 WeakPolarHBondContact O-CA 3.33Å; L152-T167 VanDerWaalsContact O-CB 3.28Å; L152-T167 WeakPolarHBondContact O-CB 3.4Å; T167-G169 PolarHBondContact O-N 3.16Å; T167-K170 PolarHBondContact O-N 2.73Å; T167-K170 WeakPolarHBondContact OG1-CB 3.41Å; T167-K170 PolarHBondContact OG1-N 3.27Å; T167-K170 VanDerWaalsContact OG1-N 3.12Å; T167-R171 PolarHBondContact O-N 3.46Å; T167-T347 HydrophobicContact CG2-CG2 3.77Å; T167-A350 HydrophobicContact CG2-CB 3.67Å
168V85.1Confident86.2Confident35 Ų3552.9 Ų52.921%0.21227%0.265CS..Hα-helixtrans-56.4-43175.7172.40000110.2F145 R149 L152 T154 R171 C172F145-V168 HydrophobicContact CE1-CG1 3.65Å; F145-V168 HydrophobicContact CZ-CG1 3.71Å; R149-V168 HydrophobicContact CB-CB 3.94Å; R149-V168 HydrophobicContact CB-CG1 3.82Å; R149-V168 HydrophobicContact CG-CG1 4.22Å; L152-V168 HydrophobicContact CB-CB 4.39Å; L152-V168 HydrophobicContact CB-CG2 4.38Å; L152-V168 HydrophobicContact CD2-CB 4.16Å; L152-V168 HydrophobicContact CD2-CG2 3.73Å; L152-V168 HydrophobicContact CG-CB 4.39Å; L152-V168 HydrophobicContact CG-CG2 3.89Å; L152-V168 PolarHBondContact O-N 2.82Å; T154-V168 HydrophobicContact CG2-CG2 3.95Å; V168-R171 PolarHBondContact O-N 2.68Å; V168-C172 PolarHBondContact O-N 3.12Å
169G91.3Very high87.2Confident0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-62.7-45.5175.100000113.1A146 R149 T167 R171 C172 C173A146-G169 WeakPolarHBondContact O-CA 3.27Å; R149-G169 WeakPolarHBondContact O-CA 3.39Å; R149-G169 PolarHBondContact O-N 3.45Å; T167-G169 PolarHBondContact O-N 3.16Å; G169-R171 VanDerWaalsContact C-N 3.3Å; G169-R171 PolarHBondContact O-N 3.14Å; G169-C172 WeakPolarHBondContact O-CA 3.45Å; G169-C172 VanDerWaalsContact O-CB 3.31Å; G169-C172 WeakPolarHBondContact O-CB 3.15Å; G169-C172 PolarHBondContact O-N 3.47Å; G169-C173 PolarHBondContact O-N 3.02Å; G169-C173 PolarHBondContact O-SG 3.23Å; G169-C173 VanDerWaalsContact O-SG 3.37Å
170K96.8Very high88.2Confident51 Ų5141 Ų4122%0.22221%0.205CC..Hα-helixtrans-63.1-37.8178.4177.460-164.8-63.30112.4T167 C172 C173 L174 A350 Q353 V354T167-K170 PolarHBondContact O-N 2.73Å; T167-K170 WeakPolarHBondContact OG1-CB 3.41Å; T167-K170 PolarHBondContact OG1-N 3.27Å; T167-K170 VanDerWaalsContact OG1-N 3.12Å; K170-C172 VanDerWaalsContact C-N 3.34Å; K170-C173 WeakPolarHBondContact O-CB 3.13Å; K170-C173 PolarHBondContact O-N 3.23Å; K170-L174 VanDerWaalsContact O-CD1 3.27Å; K170-L174 WeakPolarHBondContact O-CD1 3.43Å; K170-A350 HydrophobicContact CB-CB 3.93Å; K170-A350 HydrophobicContact CG-CB 4.24Å; K170-Q353 HydrophobicContact CD-CB 4.07Å; K170-V354 VanDerWaalsContact CA-CG2 3.48Å; K170-V354 HydrophobicContact CB-CG2 3.93Å; K170-V354 HydrophobicContact CD-CG2 4.46Å; K170-V354 VanDerWaalsContact N-CG2 3.35Å
171R92.5Very high89.7Confident12 Ų1241 Ų415%0.04521%0.207CC..Hα-helixtrans-62.6-42.3172.5174.7173.6-69.2149.2-8111.7T154 L155 T167 V168 G169 C173 L174 W175T154-R171 PolarHBondContact OG1-NH1 3.48Å; L155-R171 PolarHBondContact O-NH2 3.43Å; T167-R171 PolarHBondContact O-N 3.46Å; V168-R171 PolarHBondContact O-N 2.68Å; G169-R171 VanDerWaalsContact C-N 3.3Å; G169-R171 PolarHBondContact O-N 3.14Å; R171-C173 PolarHBondContact O-N 3.39Å; R171-L174 WeakPolarHBondContact O-CB 3.47Å; R171-L174 PolarHBondContact O-N 3.06Å; R171-L174 VanDerWaalsContact O-N 3.12Å; R171-W175 HydrophobicContact CG-CZ2 4.2Å
172C94.8Very high91.4Very high0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-60.2-36.9176.7-169.30000111.7L142 F145 A146 V168 G169 K170 L174 W175 I176L142-C172 PolarHBondContact O-SG 3.27Å; F145-C172 HydrophobicContact CD1-CB 4.18Å; F145-C172 HydrophobicContact CE1-CB 4.46Å; A146-C172 HydrophobicContact CB-CB 3.9Å; V168-C172 PolarHBondContact O-N 3.12Å; G169-C172 WeakPolarHBondContact O-CA 3.45Å; G169-C172 VanDerWaalsContact O-CB 3.31Å; G169-C172 WeakPolarHBondContact O-CB 3.15Å; G169-C172 PolarHBondContact O-N 3.47Å; K170-C172 VanDerWaalsContact C-N 3.34Å; C172-L174 PolarHBondContact O-N 3.4Å; C172-W175 HydrophobicContact CB-CE3 4.27Å; C172-W175 HydrophobicContact CB-CZ3 4.46Å; C172-W175 WeakPolarHBondContact O-CA 3.25Å; C172-W175 WeakPolarHBondContact O-CB 3.18Å; C172-W175 PolarHBondContact O-N 3.45Å; C172-I176 WeakPolarHBondContact O-CG1 3.05Å; C172-I176 PolarHBondContact O-N 2.91Å
173C98.2Very high92.9Very high6 Ų633.4 Ų33.44%0.04117%0.168CC..Hα-helixtrans-58.6-30.6174.8-640000113.8G169 K170 R171 W175 I176 Q177 F357G169-C173 PolarHBondContact O-N 3.02Å; G169-C173 PolarHBondContact O-SG 3.23Å; G169-C173 VanDerWaalsContact O-SG 3.37Å; K170-C173 WeakPolarHBondContact O-CB 3.13Å; K170-C173 PolarHBondContact O-N 3.23Å; R171-C173 PolarHBondContact O-N 3.39Å; C173-W175 PolarHBondContact O-N 3.09Å; C173-I176 PolarHBondContact O-N 2.99Å; C173-Q177 WeakPolarHBondContact O-CB 3.43Å; C173-Q177 PolarHBondContact O-N 3.38Å; C173-F357 HydrophobicContact CB-CD1 3.77Å; C173-F357 HydrophobicContact CB-CE1 3.93Å
174L96.8Very high94.1Very high66 Ų6637.2 Ų37.235%0.34618%0.183SC..Hα-helixtrans-64.9-26.3173.7-8466.8000112.6K170 R171 C172 K264K170-L174 VanDerWaalsContact O-CD1 3.27Å; K170-L174 WeakPolarHBondContact O-CD1 3.43Å; R171-L174 WeakPolarHBondContact O-CB 3.47Å; R171-L174 PolarHBondContact O-N 3.06Å; R171-L174 VanDerWaalsContact O-N 3.12Å; C172-L174 PolarHBondContact O-N 3.4Å; L174-K264 PolarHBondContact O-NZ 3.27Å
175W96.9Very high95Very high27 Ų2731.1 Ų31.110%0.10216%0.155CC..Hα-helixtrans-83.6-41.5175.2-54.6-34.2000111R171 C172 C173 Q177 D178 L179 V265 R268R171-W175 HydrophobicContact CG-CZ2 4.2Å; C172-W175 HydrophobicContact CB-CE3 4.27Å; C172-W175 HydrophobicContact CB-CZ3 4.46Å; C172-W175 WeakPolarHBondContact O-CA 3.25Å; C172-W175 WeakPolarHBondContact O-CB 3.18Å; C172-W175 PolarHBondContact O-N 3.45Å; C173-W175 PolarHBondContact O-N 3.09Å; W175-Q177 VanDerWaalsContact C-N 3.28Å; W175-Q177 PolarHBondContact O-N 3.12Å; W175-D178 PolarHBondContact O-N 2.93Å; W175-L179 WeakPolarHBondContact O-CG 3.5Å; W175-L179 PolarHBondContact O-N 3.45Å; W175-L179 VanDerWaalsContact O-N 3.16Å; W175-V265 HydrophobicContact CB-CG2 3.74Å; W175-V265 HydrophobicContact CD2-CG1 4.12Å; W175-V265 HydrophobicContact CD2-CG2 4.28Å; W175-V265 HydrophobicContact CE3-CG1 4.27Å; W175-V265 HydrophobicContact CG-CB 4.48Å; W175-V265 HydrophobicContact CG-CG1 4.36Å; W175-V265 HydrophobicContact CG-CG2 3.68Å; W175-R268 HydrophobicContact CZ2-CB 4.44Å
176I98.4Very high95.9Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-59.8-41.5176.9-64.2167.6000110.6I139 L142 A143 A146 C172 C173 L179 C180 F357 L358 V362I139-I176 HydrophobicContact CG2-CG2 4.12Å; L142-I176 HydrophobicContact CB-CD1 3.96Å; L142-I176 HydrophobicContact CB-CG1 3.63Å; L142-I176 HydrophobicContact CD1-CG1 4.43Å; A143-I176 HydrophobicContact CB-CD1 4.38Å; A146-I176 HydrophobicContact CB-CD1 3.83Å; C172-I176 WeakPolarHBondContact O-CG1 3.05Å; C172-I176 PolarHBondContact O-N 2.91Å; C173-I176 PolarHBondContact O-N 2.99Å; I176-L179 PolarHBondContact O-N 3.39Å; I176-C180 WeakPolarHBondContact O-CB 3.37Å; I176-C180 PolarHBondContact O-N 3.01Å; I176-C180 PolarHBondContact O-SG 3.44Å; I176-C180 VanDerWaalsContact O-SG 3.35Å; I176-F357 HydrophobicContact CB-CE1 3.87Å; I176-F357 HydrophobicContact CB-CZ 4.29Å; I176-F357 HydrophobicContact CG2-CE1 3.59Å; I176-F357 HydrophobicContact CG2-CZ 3.86Å; I176-L358 HydrophobicContact CD1-CD2 4.18Å; I176-V362 HydrophobicContact CG2-CG1 4.08Å; I176-V362 HydrophobicContact CG2-CG2 3.57Å
177Q98.8Very high96.4Very high97 Ų9732.6 Ų32.645%0.45316%0.158SC..Hα-helixtrans-58-50.6179-169.4179.8-7300112.1C173 W175 L179 C180 M181 F357C173-Q177 WeakPolarHBondContact O-CB 3.43Å; C173-Q177 PolarHBondContact O-N 3.38Å; W175-Q177 VanDerWaalsContact C-N 3.28Å; W175-Q177 PolarHBondContact O-N 3.12Å; Q177-L179 VanDerWaalsContact C-N 3.32Å; Q177-L179 PolarHBondContact O-N 2.82Å; Q177-C180 WeakPolarHBondContact O-CB 3.36Å; Q177-C180 PolarHBondContact O-N 2.9Å; Q177-M181 WeakPolarHBondContact O-CG 3.35Å; Q177-M181 PolarHBondContact O-N 3.35Å; Q177-M181 VanDerWaalsContact O-N 3.08Å; Q177-F357 HydrophobicContact CB-CE2 4.21Å; Q177-F357 HydrophobicContact CB-CZ 3.89Å; Q177-F357 HydrophobicContact CG-CE2 4.29Å; Q177-F357 HydrophobicContact CG-CZ 4.44Å
178D98.7Very high97Very high37 Ų3737.8 Ų37.820%0.19818%0.178CC..Hα-helixtrans-59.2-44.5177.8-64.7-3.3000110.7W175 C180 M181 D182 K264W175-D178 PolarHBondContact O-N 2.93Å; D178-C180 PolarHBondContact O-N 3.09Å; D178-M181 WeakPolarHBondContact O-CB 3.46Å; D178-M181 PolarHBondContact O-N 3.16Å; D178-D182 PolarHBondContact O-N 3.06Å; D178-K264 IonicContact OD2-NZ 3.23Å; D178-K264 PolarHBondContact OD2-NZ 3.26Å
179L98.8Very high97.6Very high6 Ų636.4 Ų36.43%0.03117%0.169CC..Hα-helixtrans-67.7-32.2178.9-65.3172.2000113.4L135 V138 I139 L142 W175 I176 Q177 D182 L183 L258L135-L179 HydrophobicContact CD1-CB 4.22Å; L135-L179 HydrophobicContact CD1-CD2 3.84Å; V138-L179 HydrophobicContact CG1-CD1 3.86Å; I139-L179 HydrophobicContact CD1-CB 4.04Å; I139-L179 WeakPolarHBondContact CD1-O 3.4Å; I139-L179 HydrophobicContact CG1-CB 3.66Å; I139-L179 HydrophobicContact CG1-CD1 4.41Å; L142-L179 HydrophobicContact CD1-CD1 3.63Å; W175-L179 WeakPolarHBondContact O-CG 3.5Å; W175-L179 PolarHBondContact O-N 3.45Å; W175-L179 VanDerWaalsContact O-N 3.16Å; I176-L179 PolarHBondContact O-N 3.39Å; Q177-L179 VanDerWaalsContact C-N 3.32Å; Q177-L179 PolarHBondContact O-N 2.82Å; L179-D182 PolarHBondContact O-N 3.41Å; L179-L183 PolarHBondContact O-N 3.47Å; L179-L258 HydrophobicContact CD2-CD1 3.85Å
180C98.9Very high98Very high8 Ų839.8 Ų39.85%0.05418%0.182CC..Hα-helixtrans-64.7-41.6172.7-78.90000111.1I176 Q177 D178 D182 L183 Q184 L365I176-C180 WeakPolarHBondContact O-CB 3.37Å; I176-C180 PolarHBondContact O-N 3.01Å; I176-C180 PolarHBondContact O-SG 3.44Å; I176-C180 VanDerWaalsContact O-SG 3.35Å; Q177-C180 WeakPolarHBondContact O-CB 3.36Å; Q177-C180 PolarHBondContact O-N 2.9Å; D178-C180 PolarHBondContact O-N 3.09Å; C180-D182 VanDerWaalsContact C-N 3.31Å; C180-D182 PolarHBondContact O-N 3.44Å; C180-L183 PolarHBondContact O-N 2.98Å; C180-Q184 WeakPolarHBondContact O-CG 3.35Å; C180-Q184 PolarHBondContact O-N 3.43Å; C180-Q184 PolarHBondContact O-OE1 2.99Å; C180-L365 HydrophobicContact CB-CD1 3.78Å
181M98.9Very high98.1Very high100 Ų10040.2 Ų40.249%0.49319%0.187SC..Hα-helixtrans-60.9-42172.9-63.5169.362.800111Q177 D178 Q184 N185Q177-M181 WeakPolarHBondContact O-CG 3.35Å; Q177-M181 PolarHBondContact O-N 3.35Å; Q177-M181 VanDerWaalsContact O-N 3.08Å; D178-M181 WeakPolarHBondContact O-CB 3.46Å; D178-M181 PolarHBondContact O-N 3.16Å; M181-Q184 PolarHBondContact O-N 2.99Å; M181-N185 WeakPolarHBondContact O-CB 3.42Å; M181-N185 PolarHBondContact O-N 2.89Å; M181-N185 PolarHBondContact O-ND2 3.38Å
182D98.9Very high98.4Very high1 Ų144.7 Ų44.71%0.00521%0.212CC..Hα-helixtrans-63.7-42.6175.3-65.6-44.9000111.8L135 D178 L179 C180 Q184 N185 L186 S257 L258 S261L135-D182 HydrophobicContact CD2-CB 4.12Å; D178-D182 PolarHBondContact O-N 3.06Å; L179-D182 PolarHBondContact O-N 3.41Å; C180-D182 VanDerWaalsContact C-N 3.31Å; C180-D182 PolarHBondContact O-N 3.44Å; D182-Q184 PolarHBondContact O-N 3.44Å; D182-N185 PolarHBondContact O-N 3.48Å; D182-L186 WeakPolarHBondContact O-CD1 3.41Å; D182-L186 PolarHBondContact O-N 2.85Å; D182-S257 PolarHBondContact OD1-OG 3.39Å; D182-L258 HydrophobicContact CB-CB 4.33Å; D182-L258 HydrophobicContact CB-CD1 3.92Å; D182-L258 PolarHBondContact OD1-N 3.42Å; D182-L258 WeakPolarHBondContact OD2-CD1 3.41Å; D182-S261 WeakPolarHBondContact OD2-CB 3.27Å; D182-S261 PolarHBondContact OD2-OG 3.04Å
183L98.9Very high98.6Very high4 Ų445.6 Ų45.62%0.02122%0.216CC..Hα-helixtrans-62.3-42.3177.9-175.367.4000111.7L132 L135 A136 I139 L179 C180 K187 L365 Y369L132-L183 HydrophobicContact CD2-CD1 3.75Å; L135-L183 HydrophobicContact CB-CD1 4.32Å; L135-L183 HydrophobicContact CD2-CB 3.88Å; L135-L183 HydrophobicContact CD2-CD1 4.05Å; L135-L183 HydrophobicContact CG-CB 4.29Å; L135-L183 HydrophobicContact CG-CD1 4.16Å; A136-L183 HydrophobicContact CB-CD1 4.49Å; A136-L183 HydrophobicContact CB-CD2 4.44Å; I139-L183 HydrophobicContact CD1-CB 3.92Å; I139-L183 HydrophobicContact CD1-CD2 3.9Å; I139-L183 HydrophobicContact CD1-CG 4.44Å; L179-L183 PolarHBondContact O-N 3.47Å; C180-L183 PolarHBondContact O-N 2.98Å; L183-K187 VanDerWaalsContact O-CB 3.26Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.44Å; L183-L365 HydrophobicContact CD2-CB 4.28Å; L183-Y369 HydrophobicContact CD1-CE2 4.32Å; L183-Y369 HydrophobicContact CD2-CE2 4.29Å
184Q98.9Very high98.6Very high101 Ų10150 Ų5047%0.47223%0.232SC..Hα-helixtrans-61.9-44.1174.7-71169.2-44.400111.3C180 M181 D182 K187 R188 L365C180-Q184 WeakPolarHBondContact O-CG 3.35Å; C180-Q184 PolarHBondContact O-N 3.43Å; C180-Q184 PolarHBondContact O-OE1 2.99Å; M181-Q184 PolarHBondContact O-N 2.99Å; D182-Q184 PolarHBondContact O-N 3.44Å; Q184-K187 PolarHBondContact O-N 3.21Å; Q184-R188 WeakPolarHBondContact O-CB 3.26Å; Q184-R188 PolarHBondContact O-N 2.99Å; Q184-L365 HydrophobicContact CG-CD1 4.18Å; Q184-L365 HydrophobicContact CG-CD2 3.86Å
185N98.9Very high98.7Very high45 Ų4546.9 Ų46.924%0.24122%0.216CC..Hα-helixtrans-64.6-47.7178.5-83.2-37.5000112.8M181 D182 K187 R188 V189 V254M181-N185 WeakPolarHBondContact O-CB 3.42Å; M181-N185 PolarHBondContact O-N 2.89Å; M181-N185 PolarHBondContact O-ND2 3.38Å; D182-N185 PolarHBondContact O-N 3.48Å; N185-K187 VanDerWaalsContact C-N 3.3Å; N185-K187 PolarHBondContact O-N 3.26Å; N185-R188 PolarHBondContact O-N 3.46Å; N185-R188 PolarHBondContact OD1-NH2 3.37Å; N185-V189 WeakPolarHBondContact O-CG2 3.42Å; N185-V189 PolarHBondContact O-N 3.47Å; N185-V254 HydrophobicContact CB-CB 4.15Å; N185-V254 HydrophobicContact CB-CG1 3.79Å
186L98.8Very high98.8Very high1 Ų145.6 Ų45.61%0.00521%0.211CC..Hα-helixtrans-61.2-42176.8-91.766.5000110.9L128 L131 L132 L135 D182 R190 V254L128-L186 HydrophobicContact CD2-CG 4.22Å; L131-L186 HydrophobicContact CB-CD2 4.14Å; L131-L186 HydrophobicContact CD1-CD2 4.46Å; L132-L186 HydrophobicContact CD2-CB 3.71Å; L135-L186 HydrophobicContact CD2-CD2 4.21Å; D182-L186 WeakPolarHBondContact O-CD1 3.41Å; D182-L186 PolarHBondContact O-N 2.85Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.44Å; L186-R190 PolarHBondContact O-N 3.09Å; L186-V254 HydrophobicContact CD1-CB 4.01Å; L186-V254 HydrophobicContact CD1-CG2 3.86Å; L186-V254 HydrophobicContact CG-CG2 4.42Å
187K98.8Very high98.8Very high88 Ų8845.6 Ų45.638%0.38321%0.211SC..Hα-helixtrans-64.2-44.6177.9178163.5172.251.80111.7L132 L183 Q184 N185 R190 D191L132-K187 HydrophobicContact CD2-CB 4.15Å; L183-K187 VanDerWaalsContact O-CB 3.26Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.44Å; Q184-K187 PolarHBondContact O-N 3.21Å; N185-K187 VanDerWaalsContact C-N 3.3Å; N185-K187 PolarHBondContact O-N 3.26Å; K187-R190 PolarHBondContact O-N 3.22Å; K187-D191 IonicContact NZ-OD2 3.67Å; K187-D191 PolarHBondContact NZ-OD2 3.29Å; K187-D191 WeakPolarHBondContact O-CB 3.37Å; K187-D191 PolarHBondContact O-N 3.01Å
188R98.9Very high98.8Very high108 Ų10841.1 Ų41.141%0.40819%0.19SC..Hα-helixtrans-57.7-54.4175.7177.7177.255.473.31.3111.1Q184 N185 R190 D191 D192Q184-R188 WeakPolarHBondContact O-CB 3.26Å; Q184-R188 PolarHBondContact O-N 2.99Å; N185-R188 PolarHBondContact O-N 3.46Å; N185-R188 PolarHBondContact OD1-NH2 3.37Å; R188-R190 VanDerWaalsContact C-N 3.28Å; R188-R190 PolarHBondContact O-N 3.5Å; R188-D191 PolarHBondContact O-N 3.47Å; R188-D192 VanDerWaalsContact CG-OD2 3.25Å; R188-D192 WeakPolarHBondContact CG-OD2 3.43Å; R188-D192 VanDerWaalsContact O-CB 3.3Å; R188-D192 WeakPolarHBondContact O-CB 3.24Å; R188-D192 VanDerWaalsContact O-CG 3.29Å; R188-D192 PolarHBondContact O-N 2.99Å
189V98.8Very high98.8Very high6 Ų639.5 Ų39.54%0.03618%0.181CC..Hα-helixtrans-57.7-42.9179.4171.30000111.3L128 N185 L193 V251 V254L128-V189 HydrophobicContact CD1-CG1 4.07Å; N185-V189 WeakPolarHBondContact O-CG2 3.42Å; N185-V189 PolarHBondContact O-N 3.47Å; V189-L193 WeakPolarHBondContact O-CB 3.45Å; V189-L193 PolarHBondContact O-N 3.05Å; V189-L193 VanDerWaalsContact O-N 3.12Å; V189-V251 HydrophobicContact CG1-CB 4.39Å; V189-V251 HydrophobicContact CG1-CG2 3.64Å; V189-V254 HydrophobicContact CG2-CG1 3.86Å; V189-V254 HydrophobicContact CG2-CG2 4.11Å
190R98.8Very high98.8Very high72 Ų7239.3 Ų39.327%0.27218%0.181SC..Hα-helixtrans-62-47.5178-175.6-84.5-172.6-173.6-1.9112.3L128 D129 L132 L186 K187 R188L128-R190 HydrophobicContact CB-CB 4.03Å; L128-R190 HydrophobicContact CB-CG 3.97Å; L128-R190 HydrophobicContact CD1-CB 3.92Å; L128-R190 HydrophobicContact CD1-CG 4.43Å; D129-R190 IonicContact OD1-CZ 2.83Å; D129-R190 VanDerWaalsContact OD1-CZ 3.31Å; D129-R190 IonicContact OD1-NE 3.31Å; D129-R190 PolarHBondContact OD1-NE 3.37Å; D129-R190 IonicContact OD1-NH2 2.67Å; D129-R190 PolarHBondContact OD1-NH2 2.92Å; D129-R190 IonicContact OD2-CZ 2.79Å; D129-R190 IonicContact OD2-NE 3.65Å; D129-R190 PolarHBondContact OD2-NE 2.97Å; D129-R190 IonicContact OD2-NH2 3.21Å; D129-R190 PolarHBondContact OD2-NH2 2.91Å; L132-R190 HydrophobicContact CD1-CB 4.34Å; L132-R190 HydrophobicContact CD1-CG 4.21Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.44Å; L186-R190 PolarHBondContact O-N 3.09Å; K187-R190 PolarHBondContact O-N 3.22Å; R188-R190 VanDerWaalsContact C-N 3.28Å; R188-R190 PolarHBondContact O-N 3.5Å
191D98.5Very high98.7Very high59 Ų5942.7 Ų42.732%0.31620%0.201SC..Hα-helixtrans-76.6-27.6-174.8-72.1-24.4000112.8K187 R188K187-D191 IonicContact NZ-OD2 3.67Å; K187-D191 PolarHBondContact NZ-OD2 3.29Å; K187-D191 WeakPolarHBondContact O-CB 3.37Å; K187-D191 PolarHBondContact O-N 3.01Å; R188-D191 PolarHBondContact O-N 3.47Å
192D98.7Very high98.6Very high107 Ų10742.5 Ų42.557%0.57221%0.206SC*.Hα-helixtrans-85.5-12.8177.5-67.5-20.2000113.2R188 R194R188-D192 VanDerWaalsContact CG-OD2 3.25Å; R188-D192 WeakPolarHBondContact CG-OD2 3.43Å; R188-D192 VanDerWaalsContact O-CB 3.3Å; R188-D192 WeakPolarHBondContact O-CB 3.24Å; R188-D192 VanDerWaalsContact O-CG 3.29Å; R188-D192 PolarHBondContact O-N 2.99Å; D192-R194 PolarHBondContact O-N 3.42Å
193L98.7Very high98.6Very high18 Ų1843.1 Ų43.19%0.09421%0.213CC..  trans-60.3123.4-178.9-165.667.2000110.7L121 L124 R125 V189 F232 V247L121-L193 HydrophobicContact CD2-CD1 3.92Å; L121-L193 HydrophobicContact CD2-CD2 4.49Å; L121-L193 HydrophobicContact CD2-CG 4.24Å; L124-L193 HydrophobicContact CB-CD2 4.22Å; R125-L193 HydrophobicContact CB-CD2 4.02Å; V189-L193 WeakPolarHBondContact O-CB 3.45Å; V189-L193 PolarHBondContact O-N 3.05Å; V189-L193 VanDerWaalsContact O-N 3.12Å; L193-F232 HydrophobicContact CB-CE1 4.46Å; L193-F232 HydrophobicContact CD2-CE1 4.2Å; L193-F232 HydrophobicContact CD2-CZ 4.48Å; L193-F232 HydrophobicContact CG-CE1 4.17Å; L193-F232 WeakPolarHBondContact O-CD1 3.33Å; L193-V247 HydrophobicContact CD1-CG1 3.47Å; L193-V247 VanDerWaalsContact CD1-CG1 3.47Å
194R98.9Very high98.6Very high99 Ų9947.3 Ų47.337%0.37424%0.239SC..  trans-104.8150.6-179.5-68.3-171.1-73.8176.8-8.6111.6D192 R234 F236D192-R194 PolarHBondContact O-N 3.42Å; R194-R234 WeakPolarHBondContact CA-O 3.45Å; R194-R234 HydrophobicContact CG-CB 4.19Å; R194-F236 HydrophobicContact CB-CD2 3.83Å; R194-F236 HydrophobicContact CB-CE1 4.46Å; R194-F236 HydrophobicContact CB-CE2 3.62Å; R194-F236 HydrophobicContact CB-CG 4.32Å; R194-F236 HydrophobicContact CB-CZ 3.95Å; R194-F236 VanDerWaalsContact CZ-CD1 3.44Å; R194-F236 VanDerWaalsContact CZ-CE1 3.5Å; R194-F236 WeakPolarHBondContact O-CE2 3.47Å
195F98.9Very high98.6Very high0 Ų044.5 Ų44.50%023%0.225CC..BIsolated β-bridgetrans-77.6149.8174.7-154.4-127.9000111.6L42 N118 I122 V226 T227 A230 F232 R234 A235 F236L42-F195 HydrophobicContact CD2-CZ 3.87Å; N118-F195 HydrophobicContact CB-CD2 4.43Å; N118-F195 HydrophobicContact CB-CE1 4.19Å; N118-F195 HydrophobicContact CB-CE2 3.52Å; N118-F195 HydrophobicContact CB-CZ 3.39Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.24Å; N118-F195 VanDerWaalsContact OD1-CE1 3.26Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.08Å; N118-F195 VanDerWaalsContact OD1-CE2 3.28Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.22Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.43Å; I122-F195 HydrophobicContact CD1-CE2 4.15Å; I122-F195 HydrophobicContact CG1-CE2 4.13Å; F195-V226 HydrophobicContact CE1-CG2 4.45Å; F195-T227 HydrophobicContact CB-CG2 3.99Å; F195-T227 HydrophobicContact CD1-CG2 4.36Å; F195-A230 HydrophobicContact CD2-CB 4.38Å; F195-A230 HydrophobicContact CE1-CB 3.94Å; F195-A230 HydrophobicContact CE2-CB 3.77Å; F195-A230 HydrophobicContact CZ-CB 3.5Å; F195-A230 VanDerWaalsContact CZ-CB 3.5Å; F195-F232 HydrophobicContact CB-CB 3.8Å; F195-F232 HydrophobicContact CB-CD1 4.1Å; F195-F232 HydrophobicContact CB-CD2 4.16Å; F195-F232 HydrophobicContact CB-CG 3.76Å; F195-F232 HydrophobicContact CD2-CD1 4.46Å; F195-F232 AromaticContact CD2-CD2 3.41Å; F195-F232 HydrophobicContact CD2-CD2 3.41Å; F195-F232 VanDerWaalsContact CD2-CD2 3.41Å; F195-F232 AromaticContact CD2-CE2 3.56Å; F195-F232 HydrophobicContact CD2-CE2 3.56Å; F195-F232 AromaticContact CD2-CG 3.9Å; F195-F232 HydrophobicContact CD2-CG 3.9Å; F195-F232 HydrophobicContact CD2-CZ 4.17Å; F195-F232 AromaticContact CE2-CD2 3.97Å; F195-F232 HydrophobicContact CE2-CD2 3.97Å; F195-F232 AromaticContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CG-CB 4.32Å; F195-F232 AromaticContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CG 4.11Å; F195-R234 PolarHBondContact N-O 3.45Å; F195-A235 HydrophobicContact CB-CB 4.32Å; F195-A235 CarbonylContact O-C 3.55Å; F195-A235 WeakPolarHBondContact O-CA 3.36Å; F195-A235 WeakPolarHBondContact O-CB 3.47Å; F195-F236 WeakPolarHBondContact O-CD2 3.25Å; F195-F236 PolarHBondContact O-N 3.08Å
196R98.9Very high98.6Very high1 Ų144.4 Ų44.40%0.00423%0.231CC..  trans-73-46.7169.8175.1-169.5175.6-81.42.7109.8N118 L121 K199 G200 Q241N118-R196 WeakPolarHBondContact OD1-CB 3.35Å; N118-R196 PolarHBondContact OD1-N 3.4Å; L121-R196 HydrophobicContact CD1-CB 4.07Å; R196-K199 HydrophobicContact CG-CG 4.34Å; R196-K199 WeakPolarHBondContact O-CG 3.33Å; R196-K199 PolarHBondContact O-NZ 3.45Å; R196-G200 PolarHBondContact NH2-O 3.1Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 3.24Å; R196-Q241 PolarHBondContact NH2-O 3.35Å
197G98.8Very high98.6Very high0 Ų046 Ų460%024%0.242CC..  trans73.8-146.2-177.200000112.9N118 D223N118-G197 PolarHBondContact ND2-O 2.87Å; N118-G197 PolarHBondContact OD1-N 2.87Å; G197-D223 WeakPolarHBondContact CA-OD1 3.46Å
198V98.8Very high98.6Very high2 Ų242 Ų421%0.01222%0.224CC..SBendtrans-104.4101.7-174.7-172.70000109.8L46 Y114 Q205 F208 L222 D223 V226L46-V198 HydrophobicContact CD1-CG2 4.22Å; Y114-V198 HydrophobicContact CD2-CG2 4.26Å; Y114-V198 HydrophobicContact CE2-CG2 3.88Å; V198-Q205 WeakPolarHBondContact O-CG 3.18Å; V198-Q205 PolarHBondContact O-NE2 2.92Å; V198-F208 HydrophobicContact CB-CE2 4.49Å; V198-F208 HydrophobicContact CG1-CD1 3.83Å; V198-F208 HydrophobicContact CG1-CD2 3.43Å; V198-F208 VanDerWaalsContact CG1-CD2 3.43Å; V198-F208 HydrophobicContact CG1-CE1 3.5Å; V198-F208 HydrophobicContact CG1-CE2 3.07Å; V198-F208 HydrophobicContact CG1-CG 3.78Å; V198-F208 HydrophobicContact CG1-CZ 3.09Å; V198-L222 HydrophobicContact CG1-CD2 4.01Å; V198-L222 HydrophobicContact CG1-CG 4.43Å; V198-L222 HydrophobicContact CG2-CG 4.16Å; V198-D223 PolarHBondContact N-OD1 2.85Å; V198-V226 HydrophobicContact CG2-CB 4.46Å; V198-V226 HydrophobicContact CG2-CG1 4.2Å; V198-V226 HydrophobicContact CG2-CG2 3.48Å; V198-V226 VanDerWaalsContact CG2-CG2 3.48Å
199K98.8Very high98.5Very high3 Ų339.4 Ų39.41%0.01322%0.219CC..  trans-124.8-6-169.5-63.1-63.2-169.5-64.80115.8R196 G203 T204 Q205 D223 F236 T239R196-K199 HydrophobicContact CG-CG 4.34Å; R196-K199 WeakPolarHBondContact O-CG 3.33Å; R196-K199 PolarHBondContact O-NZ 3.45Å; K199-G203 CarbonylContact O-C 3.48Å; K199-G203 WeakPolarHBondContact O-CA 3.47Å; K199-G203 PolarHBondContact O-N 3.47Å; K199-T204 PolarHBondContact O-N 3.33Å; K199-Q205 HydrophobicContact CD-CG 4.22Å; K199-Q205 PolarHBondContact O-N 3.33Å; K199-D223 IonicContact NZ-OD1 2.65Å; K199-D223 PolarHBondContact NZ-OD1 2.93Å; K199-D223 IonicContact NZ-OD2 3.55Å; K199-D223 PolarHBondContact NZ-OD2 3.47Å; K199-F236 WeakPolarHBondContact CE-O 3.28Å; K199-F236 PolarHBondContact NZ-O 3.46Å; K199-T239 WeakPolarHBondContact CB-OG1 3.47Å; K199-T239 HydrophobicContact CG-CG2 4.28Å; K199-T239 WeakPolarHBondContact CG-OG1 3.42Å
200G97.6Very high98.5Very high2 Ų246.3 Ų46.32%0.02125%0.25CS..  trans65.8-169.9-172.400000113.1T111 R196T111-G200 VanDerWaalsContact CG2-O 3.27Å; T111-G200 WeakPolarHBondContact CG2-O 3.42Å; R196-G200 PolarHBondContact NH2-O 3.1Å
201T97.3Very high98.5Very high80 Ų8045.5 Ų45.549%0.49125%0.251SS..SBendtrans-69.5-36.9-172.2-54.30000113.7Q241T201-Q241 VanDerWaalsContact O-CA 3.25Å; T201-Q241 WeakPolarHBondContact O-CA 3.15Å; T201-Q241 WeakPolarHBondContact O-CB 3.43Å; T201-Q241 WeakPolarHBondContact O-CG 3.16Å
202T98.1Very high98.5Very high96 Ų9643.2 Ų43.259%0.58924%0.239SC*.SBendtrans-118.814.3-175.250.90000113.3T204T202-T204 VanDerWaalsContact C-N 3.31Å
203G98.3Very high98.5Very high14 Ų1447.2 Ų47.214%0.14425%0.254CS..SBendtrans86.9-4.8178.100000115.2K199 T239 G240K199-G203 CarbonylContact O-C 3.48Å; K199-G203 WeakPolarHBondContact O-CA 3.47Å; K199-G203 PolarHBondContact O-N 3.47Å; G203-T239 WeakPolarHBondContact CA-O 3.14Å; G203-G240 WeakPolarHBondContact CA-O 3.34Å; G203-G240 PolarHBondContact N-O 3.36Å
204T98.6Very high98.5Very high92 Ų9248.4 Ų48.456%0.56427%0.27SS*.SBendtrans-90.7-5.3-173.464.20000114.5K199 T202 A206K199-T204 PolarHBondContact O-N 3.33Å; T202-T204 VanDerWaalsContact C-N 3.31Å; T204-A206 PolarHBondContact O-N 2.98Å
205Q98.8Very high98.5Very high42 Ų4246.7 Ų46.720%0.19627%0.268CS..  trans59.613.5-178.9-59.6166.5-53.800115.6V198 K199 S207 F208 L209 V219V198-Q205 WeakPolarHBondContact O-CG 3.18Å; V198-Q205 PolarHBondContact O-NE2 2.92Å; K199-Q205 HydrophobicContact CD-CG 4.22Å; K199-Q205 PolarHBondContact O-N 3.33Å; Q205-S207 VanDerWaalsContact C-N 3.28Å; Q205-S207 PolarHBondContact O-N 3.36Å; Q205-S207 VanDerWaalsContact O-N 3.13Å; Q205-F208 PolarHBondContact O-N 3.01Å; Q205-L209 PolarHBondContact O-N 2.96Å; Q205-V219 HydrophobicContact CB-CG1 3.7Å; Q205-V219 HydrophobicContact CG-CG1 4.11Å
206A98.6Very high98.5Very high43 Ų4351.8 Ų51.836%0.35530%0.296SS..Hα-helixtrans-54.8-38.2-17300000114.5T204 F208 L209 Q210T204-A206 PolarHBondContact O-N 2.98Å; A206-F208 PolarHBondContact O-N 3.06Å; A206-L209 PolarHBondContact O-N 2.79Å; A206-Q210 WeakPolarHBondContact O-CB 3.17Å; A206-Q210 VanDerWaalsContact O-CG 3.25Å; A206-Q210 WeakPolarHBondContact O-CG 3.39Å; A206-Q210 PolarHBondContact O-N 2.94Å
207S98.6Very high98.5Very high35 Ų3557 Ų5725%0.24532%0.32CS..Hα-helixtrans-61.6-41.9176.148.50000112.4G109 Q205 Q210 L211G109-S207 VanDerWaalsContact O-CB 3.31Å; G109-S207 WeakPolarHBondContact O-CB 3.42Å; G109-S207 PolarHBondContact O-OG 3.37Å; Q205-S207 VanDerWaalsContact C-N 3.28Å; Q205-S207 PolarHBondContact O-N 3.36Å; Q205-S207 VanDerWaalsContact O-N 3.13Å; S207-Q210 PolarHBondContact O-N 3.49Å; S207-L211 WeakPolarHBondContact O-CG 3.22Å; S207-L211 PolarHBondContact O-N 3.33Å; S207-L211 VanDerWaalsContact O-N 3.09Å
208F98.7Very high98.5Very high2 Ų260.2 Ų60.21%0.00933%0.334CS..Hα-helixtrans-72.6-38.9177.5-63-76.7000111.7L46 G109 A110 V198 Q205 A206 Q210 L211 F212 V219 L222L46-F208 HydrophobicContact CD1-CE1 4.27Å; G109-F208 WeakPolarHBondContact O-CE2 3.33Å; G109-F208 WeakPolarHBondContact O-CZ 3.34Å; A110-F208 HydrophobicContact CB-CZ 3.96Å; V198-F208 HydrophobicContact CB-CE2 4.49Å; V198-F208 HydrophobicContact CG1-CD1 3.83Å; V198-F208 HydrophobicContact CG1-CD2 3.43Å; V198-F208 VanDerWaalsContact CG1-CD2 3.43Å; V198-F208 HydrophobicContact CG1-CE1 3.5Å; V198-F208 HydrophobicContact CG1-CE2 3.07Å; V198-F208 HydrophobicContact CG1-CG 3.78Å; V198-F208 HydrophobicContact CG1-CZ 3.09Å; Q205-F208 PolarHBondContact O-N 3.01Å; A206-F208 PolarHBondContact O-N 3.06Å; F208-Q210 VanDerWaalsContact C-N 3.26Å; F208-Q210 PolarHBondContact O-N 2.93Å; F208-L211 HydrophobicContact CD1-CD1 4.29Å; F208-L211 WeakPolarHBondContact O-CB 3.44Å; F208-L211 PolarHBondContact O-N 3.07Å; F208-L211 VanDerWaalsContact O-N 3.16Å; F208-F212 WeakPolarHBondContact O-CD2 3.38Å; F208-F212 PolarHBondContact O-N 3.24Å; F208-V219 HydrophobicContact CB-CG1 4.41Å; F208-V219 HydrophobicContact CB-CG2 4.27Å; F208-L222 HydrophobicContact CD1-CD2 3.54Å; F208-L222 HydrophobicContact CE1-CD2 3.97Å; F208-L222 HydrophobicContact CG-CD2 4.21Å
209L98.7Very high98.5Very high54 Ų5460.5 Ų60.528%0.28334%0.335SS..Hα-helixtrans-60-39.6174.7-171.665.6000111.5Q205 A206 F212 E213 G214 V219Q205-L209 PolarHBondContact O-N 2.96Å; A206-L209 PolarHBondContact O-N 2.79Å; L209-F212 CarbonylContact O-C 3.58Å; L209-F212 PolarHBondContact O-N 3.11Å; L209-E213 PolarHBondContact O-N 3.37Å; L209-G214 PolarHBondContact O-N 3.36Å; L209-V219 HydrophobicContact CB-CG2 4.15Å; L209-V219 HydrophobicContact CD1-CG2 4Å
210Q98.6Very high98.5Very high151 Ų15166.7 Ų66.771%0.70636%0.364SS*.Hα-helixtrans-66-42174-72.8167.9-11.600112.5A206 S207 F208 F212 E213A206-Q210 WeakPolarHBondContact O-CB 3.17Å; A206-Q210 VanDerWaalsContact O-CG 3.25Å; A206-Q210 WeakPolarHBondContact O-CG 3.39Å; A206-Q210 PolarHBondContact O-N 2.94Å; S207-Q210 PolarHBondContact O-N 3.49Å; F208-Q210 VanDerWaalsContact C-N 3.26Å; F208-Q210 PolarHBondContact O-N 2.93Å; Q210-F212 PolarHBondContact O-N 2.85Å; Q210-E213 PolarHBondContact O-N 3.31Å; Q210-E213 VanDerWaalsContact O-N 3.16Å
211L98.5Very high98.5Very high56 Ų5670.1 Ų70.129%0.29338%0.38SS..Hα-helixtrans-61.4-31.8175.7-74.4170000112.6L55 L108 S207 F208L55-L211 HydrophobicContact CD1-CB 4.23Å; L55-L211 HydrophobicContact CD1-CD1 4.28Å; L55-L211 HydrophobicContact CD2-CB 4.35Å; L55-L211 WeakPolarHBondContact CD2-O 3.4Å; L108-L211 HydrophobicContact CD1-CD1 4.42Å; L108-L211 HydrophobicContact CD1-CD2 4.16Å; L108-L211 HydrophobicContact CG-CD1 3.95Å; L108-L211 HydrophobicContact CG-CD2 4.32Å; S207-L211 WeakPolarHBondContact O-CG 3.22Å; S207-L211 PolarHBondContact O-N 3.33Å; S207-L211 VanDerWaalsContact O-N 3.09Å; F208-L211 HydrophobicContact CD1-CD1 4.29Å; F208-L211 WeakPolarHBondContact O-CB 3.44Å; F208-L211 PolarHBondContact O-N 3.07Å; F208-L211 VanDerWaalsContact O-N 3.16Å
212F98.7Very high98.6Very high11 Ų1166.3 Ų66.35%0.04836%0.357CS..THydrogen-bonded Turntrans-99.323.1177-62.3-60.2000113.5L53 L55 F208 L209 Q210 G214 D215 K218 V219 L222L53-F212 HydrophobicContact CB-CE1 3.71Å; L53-F212 HydrophobicContact CB-CZ 3.94Å; L53-F212 HydrophobicContact CD1-CZ 4.04Å; L55-F212 HydrophobicContact CD1-CE1 4.17Å; L55-F212 HydrophobicContact CD1-CZ 4.2Å; L55-F212 HydrophobicContact CD2-CD1 3.93Å; L55-F212 HydrophobicContact CD2-CE1 3.73Å; L55-F212 HydrophobicContact CG-CD1 4.34Å; L55-F212 HydrophobicContact CG-CE1 3.63Å; L55-F212 HydrophobicContact CG-CZ 4.12Å; F208-F212 WeakPolarHBondContact O-CD2 3.38Å; F208-F212 PolarHBondContact O-N 3.24Å; L209-F212 CarbonylContact O-C 3.58Å; L209-F212 PolarHBondContact O-N 3.11Å; Q210-F212 PolarHBondContact O-N 2.85Å; F212-G214 PolarHBondContact O-N 3.24Å; F212-G214 VanDerWaalsContact O-N 3.07Å; F212-D215 HydrophobicContact CB-CB 4.27Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.4Å; F212-D215 PolarHBondContact O-N 3.1Å; F212-K218 HydrophobicContact CB-CB 4.12Å; F212-K218 HydrophobicContact CB-CD 4.27Å; F212-K218 HydrophobicContact CD1-CB 4.05Å; F212-K218 HydrophobicContact CD1-CD 3.72Å; F212-K218 HydrophobicContact CD2-CB 4.04Å; F212-K218 HydrophobicContact CE1-CB 4.47Å; F212-K218 HydrophobicContact CE1-CD 4.32Å; F212-K218 HydrophobicContact CE2-CB 4.48Å; F212-K218 HydrophobicContact CG-CB 3.82Å; F212-K218 HydrophobicContact CG-CD 4.15Å; F212-V219 HydrophobicContact CD2-CG2 3.93Å; F212-L222 HydrophobicContact CE2-CB 4.39Å; F212-L222 HydrophobicContact CE2-CD2 3.81Å; F212-L222 HydrophobicContact CZ-CD2 4.22Å
213E98.4Very high98.6Very high191 Ų19162.8 Ų62.889%0.89333%0.334SS*.THydrogen-bonded Turntrans5531.3172.2-57.1178.7-168.200114.4L209 Q210L209-E213 PolarHBondContact O-N 3.37Å; Q210-E213 PolarHBondContact O-N 3.31Å; Q210-E213 VanDerWaalsContact O-N 3.16Å
214G98.3Very high98.7Very high42 Ų4268.2 Ų68.243%0.43335%0.354SS..THydrogen-bonded Turntrans88.79.7-179.200000115.2L209 F212 D216L209-G214 PolarHBondContact O-N 3.36Å; F212-G214 PolarHBondContact O-N 3.24Å; F212-G214 VanDerWaalsContact O-N 3.07Å; G214-D216 PolarHBondContact O-N 3.03Å
215D98.7Very high98.7Very high63 Ų6366 Ų6634%0.33734%0.337SS..  trans-80.994.4176.9-170.9-23.7000111.7F212 H217 K218 V219F212-D215 HydrophobicContact CB-CB 4.27Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.4Å; F212-D215 PolarHBondContact O-N 3.1Å; D215-H217 PolarHBondContact O-N 3.04Å; D215-H217 WeakPolarHBondContact OD1-CA 3.47Å; D215-H217 WeakPolarHBondContact OD1-CB 3.41Å; D215-H217 PolarHBondContact OD1-N 2.97Å; D215-K218 HydrophobicContact CB-CB 4.29Å; D215-K218 HydrophobicContact CB-CD 4.27Å; D215-K218 HydrophobicContact CB-CG 4.3Å; D215-K218 PolarHBondContact O-N 3.18Å; D215-K218 PolarHBondContact OD1-N 3.31Å; D215-K218 VanDerWaalsContact OD1-N 3.11Å; D215-K218 WeakPolarHBondContact OD2-CG 3.47Å; D215-V219 PolarHBondContact O-N 2.95Å
216D98.6Very high98.7Very high107 Ų10764 Ų6457%0.57233%0.328SS*.Hα-helixtrans-55.7-35.7175.9-66.1-84.3000112.6G214 K218 V219 E220G214-D216 PolarHBondContact O-N 3.03Å; D216-K218 PolarHBondContact O-N 2.63Å; D216-V219 WeakPolarHBondContact O-CB 3.5Å; D216-V219 PolarHBondContact O-N 3.41Å; D216-E220 PolarHBondContact O-N 3.06Å
217H98.7Very high98.7Very high111 Ų11162.2 Ų62.251%0.51431%0.313SS..Hα-helixtrans-67.3-40.5-176.2-171.759000111.5D215 V219 E220 Q221D215-H217 PolarHBondContact O-N 3.04Å; D215-H217 WeakPolarHBondContact OD1-CA 3.47Å; D215-H217 WeakPolarHBondContact OD1-CB 3.41Å; D215-H217 PolarHBondContact OD1-N 2.97Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 3.13Å; H217-E220 PolarHBondContact O-N 2.87Å; H217-Q221 PolarHBondContact CD2-NE2 3.48Å; H217-Q221 PolarHBondContact NE2-NE2 2.95Å; H217-Q221 WeakPolarHBondContact O-CB 3.35Å; H217-Q221 VanDerWaalsContact O-CG 3.3Å; H217-Q221 WeakPolarHBondContact O-CG 3.41Å; H217-Q221 PolarHBondContact O-N 3.08Å
218K98.8Very high98.7Very high68 Ų6866 Ų6630%0.29633%0.327SS..Hα-helixtrans-64.3-36.7174.3-75.2-175.3-178.6-165.70112.4L53 F212 D215 D216 Q221 L222L53-K218 HydrophobicContact CD2-CG 4.44Å; L53-K218 WeakPolarHBondContact O-CE 3.46Å; L53-K218 PolarHBondContact O-NZ 2.92Å; F212-K218 HydrophobicContact CB-CB 4.12Å; F212-K218 HydrophobicContact CB-CD 4.27Å; F212-K218 HydrophobicContact CD1-CB 4.05Å; F212-K218 HydrophobicContact CD1-CD 3.72Å; F212-K218 HydrophobicContact CD2-CB 4.04Å; F212-K218 HydrophobicContact CE1-CB 4.47Å; F212-K218 HydrophobicContact CE1-CD 4.32Å; F212-K218 HydrophobicContact CE2-CB 4.48Å; F212-K218 HydrophobicContact CG-CB 3.82Å; F212-K218 HydrophobicContact CG-CD 4.15Å; D215-K218 HydrophobicContact CB-CB 4.29Å; D215-K218 HydrophobicContact CB-CD 4.27Å; D215-K218 HydrophobicContact CB-CG 4.3Å; D215-K218 PolarHBondContact O-N 3.18Å; D215-K218 PolarHBondContact OD1-N 3.31Å; D215-K218 VanDerWaalsContact OD1-N 3.11Å; D215-K218 WeakPolarHBondContact OD2-CG 3.47Å; D216-K218 PolarHBondContact O-N 2.63Å; K218-Q221 PolarHBondContact O-N 3.33Å; K218-L222 WeakPolarHBondContact O-CB 3.41Å; K218-L222 PolarHBondContact O-N 2.98Å
219V98.8Very high98.7Very high7 Ų769.7 Ų69.74%0.04234%0.343CS..Hα-helixtrans-63.7-45.5175.61780000110.8Q205 F208 L209 F212 D215 D216 H217 L222 D223Q205-V219 HydrophobicContact CB-CG1 3.7Å; Q205-V219 HydrophobicContact CG-CG1 4.11Å; F208-V219 HydrophobicContact CB-CG1 4.41Å; F208-V219 HydrophobicContact CB-CG2 4.27Å; L209-V219 HydrophobicContact CB-CG2 4.15Å; L209-V219 HydrophobicContact CD1-CG2 4Å; F212-V219 HydrophobicContact CD2-CG2 3.93Å; D215-V219 PolarHBondContact O-N 2.95Å; D216-V219 WeakPolarHBondContact O-CB 3.5Å; D216-V219 PolarHBondContact O-N 3.41Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 3.13Å; V219-L222 PolarHBondContact O-N 3.42Å; V219-D223 PolarHBondContact O-N 3.47Å; V219-D223 VanDerWaalsContact O-N 3.15Å
220E98.8Very high98.7Very high133 Ų13367.4 Ų67.462%0.62133%0.332SS*.Hα-helixtrans-63.1-41.3175.3-72.7-170.7-127.400112.4D216 H217 D223 K224D216-E220 PolarHBondContact O-N 3.06Å; H217-E220 PolarHBondContact O-N 2.87Å; E220-D223 PolarHBondContact O-N 3.22Å; E220-K224 WeakPolarHBondContact O-CB 3.26Å; E220-K224 PolarHBondContact O-N 3.4Å
221Q98.8Very high98.7Very high74 Ų7462.7 Ų62.735%0.34632%0.323SS..Hα-helixtrans-63.4-43.4175.8-75.2-174.9-13.600111.8L53 H217 K218 D223 K224 M225L53-Q221 HydrophobicContact CD1-CB 4.43Å; L53-Q221 HydrophobicContact CD2-CB 3.93Å; H217-Q221 PolarHBondContact CD2-NE2 3.48Å; H217-Q221 PolarHBondContact NE2-NE2 2.95Å; H217-Q221 WeakPolarHBondContact O-CB 3.35Å; H217-Q221 VanDerWaalsContact O-CG 3.3Å; H217-Q221 WeakPolarHBondContact O-CG 3.41Å; H217-Q221 PolarHBondContact O-N 3.08Å; K218-Q221 PolarHBondContact O-N 3.33Å; Q221-D223 VanDerWaalsContact C-N 3.35Å; Q221-D223 PolarHBondContact O-N 3.01Å; Q221-K224 PolarHBondContact O-N 3.2Å; Q221-M225 WeakPolarHBondContact O-CB 3.44Å; Q221-M225 WeakPolarHBondContact O-CG 3.39Å; Q221-M225 PolarHBondContact O-N 3.18Å
222L98.9Very high98.7Very high1 Ų160.5 Ų60.51%0.00531%0.312CS..Hα-helixtrans-56.7-49.9177178.158.3000110.9L46 A49 E50 L53 V198 F208 F212 K218 V219 K224 M225 V226L46-L222 HydrophobicContact CD1-CD1 4.22Å; L46-L222 HydrophobicContact CD1-CD2 4.39Å; A49-L222 HydrophobicContact CB-CD1 3.51Å; E50-L222 HydrophobicContact CG-CD1 4.03Å; E50-L222 HydrophobicContact CG-CD2 4.22Å; L53-L222 HydrophobicContact CD1-CB 3.56Å; L53-L222 HydrophobicContact CD1-CD1 4.14Å; L53-L222 HydrophobicContact CD1-CG 4.41Å; V198-L222 HydrophobicContact CG1-CD2 4.01Å; V198-L222 HydrophobicContact CG1-CG 4.43Å; V198-L222 HydrophobicContact CG2-CG 4.16Å; F208-L222 HydrophobicContact CD1-CD2 3.54Å; F208-L222 HydrophobicContact CE1-CD2 3.97Å; F208-L222 HydrophobicContact CG-CD2 4.21Å; F212-L222 HydrophobicContact CE2-CB 4.39Å; F212-L222 HydrophobicContact CE2-CD2 3.81Å; F212-L222 HydrophobicContact CZ-CD2 4.22Å; K218-L222 WeakPolarHBondContact O-CB 3.41Å; K218-L222 PolarHBondContact O-N 2.98Å; V219-L222 PolarHBondContact O-N 3.42Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 2.87Å; L222-M225 PolarHBondContact O-N 3.49Å; L222-V226 HydrophobicContact CD1-CG1 4.25Å; L222-V226 PolarHBondContact O-N 3.35Å; L222-V226 VanDerWaalsContact O-N 3.12Å
223D98.9Very high98.7Very high21 Ų2168.9 Ų68.911%0.11235%0.348CS..Hα-helixtrans-61.1-43.1179.8-170.142.8000112G197 V198 K199 V219 E220 Q221 V226 T227G197-D223 WeakPolarHBondContact CA-OD1 3.46Å; V198-D223 PolarHBondContact N-OD1 2.85Å; K199-D223 IonicContact NZ-OD1 2.65Å; K199-D223 PolarHBondContact NZ-OD1 2.93Å; K199-D223 IonicContact NZ-OD2 3.55Å; K199-D223 PolarHBondContact NZ-OD2 3.47Å; V219-D223 PolarHBondContact O-N 3.47Å; V219-D223 VanDerWaalsContact O-N 3.15Å; E220-D223 PolarHBondContact O-N 3.22Å; Q221-D223 VanDerWaalsContact C-N 3.35Å; Q221-D223 PolarHBondContact O-N 3.01Å; D223-V226 WeakPolarHBondContact O-CG2 3.12Å; D223-T227 VanDerWaalsContact O-CB 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.5Å; D223-T227 PolarHBondContact O-N 3.49Å; D223-T227 PolarHBondContact O-OG1 2.62Å
224K98.9Very high98.7Very high128 Ų12869.1 Ų69.156%0.55734%0.341SS*.Hα-helixtrans-64.4-47.4176.8-177178.3172.1-174.80112E220 Q221 L222 V226 T227 E228E220-K224 WeakPolarHBondContact O-CB 3.26Å; E220-K224 PolarHBondContact O-N 3.4Å; Q221-K224 PolarHBondContact O-N 3.2Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 2.87Å; K224-V226 PolarHBondContact O-N 3.26Å; K224-T227 WeakPolarHBondContact O-CB 3.42Å; K224-T227 PolarHBondContact O-N 3.46Å; K224-E228 WeakPolarHBondContact CE-OE1 3.4Å; K224-E228 IonicContact NZ-OE1 3.99Å; K224-E228 WeakPolarHBondContact O-CG 3.42Å; K224-E228 PolarHBondContact O-N 2.89Å
225M98.9Very high98.7Very high45 Ų4568.1 Ų68.122%0.22233%0.329CS..Hα-helixtrans-61.4-45.8-177.6-74.5175.671.200112.3A49 T52 L53 Q221 L222 T227 E228 K229A49-M225 HydrophobicContact CB-CB 4.11Å; A49-M225 HydrophobicContact CB-CE 4.09Å; A49-M225 HydrophobicContact CB-SD 4.45Å; T52-M225 HydrophobicContact CG2-CE 3.82Å; L53-M225 HydrophobicContact CD1-SD 4.36Å; L53-M225 HydrophobicContact CD2-SD 4.32Å; L53-M225 HydrophobicContact CG-SD 4.29Å; Q221-M225 WeakPolarHBondContact O-CB 3.44Å; Q221-M225 WeakPolarHBondContact O-CG 3.39Å; Q221-M225 PolarHBondContact O-N 3.18Å; L222-M225 PolarHBondContact O-N 3.49Å; M225-T227 VanDerWaalsContact C-N 3.29Å; M225-T227 PolarHBondContact O-N 3.26Å; M225-E228 PolarHBondContact O-N 3.07Å; M225-K229 WeakPolarHBondContact O-CB 3.38Å; M225-K229 WeakPolarHBondContact O-CG 3.46Å; M225-K229 PolarHBondContact O-N 3.41Å
226V98.8Very high98.7Very high0 Ų065.9 Ų65.90%032%0.316CS..Hα-helixtrans-68.5-32.2178.1-56.60000112A49 F195 V198 L222 D223 K224 K229 A230A49-V226 HydrophobicContact CB-CG1 4.09Å; F195-V226 HydrophobicContact CE1-CG2 4.45Å; V198-V226 HydrophobicContact CG2-CB 4.46Å; V198-V226 HydrophobicContact CG2-CG1 4.2Å; V198-V226 HydrophobicContact CG2-CG2 3.48Å; V198-V226 VanDerWaalsContact CG2-CG2 3.48Å; L222-V226 HydrophobicContact CD1-CG1 4.25Å; L222-V226 PolarHBondContact O-N 3.35Å; L222-V226 VanDerWaalsContact O-N 3.12Å; D223-V226 WeakPolarHBondContact O-CG2 3.12Å; K224-V226 PolarHBondContact O-N 3.26Å; V226-K229 PolarHBondContact O-N 2.9Å; V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 3.08Å
227T98.9Very high98.7Very high7 Ų767.4 Ų67.44%0.04332%0.323CS..Hα-helixtrans-64.8-45.1176.7-63.30000111F195 D223 K224 M225 A230 G231 F232 A235F195-T227 HydrophobicContact CB-CG2 3.99Å; F195-T227 HydrophobicContact CD1-CG2 4.36Å; D223-T227 VanDerWaalsContact O-CB 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.5Å; D223-T227 PolarHBondContact O-N 3.49Å; D223-T227 PolarHBondContact O-OG1 2.62Å; K224-T227 WeakPolarHBondContact O-CB 3.42Å; K224-T227 PolarHBondContact O-N 3.46Å; M225-T227 VanDerWaalsContact C-N 3.29Å; M225-T227 PolarHBondContact O-N 3.26Å; T227-A230 PolarHBondContact O-N 3.26Å; T227-G231 PolarHBondContact O-N 3.04Å; T227-F232 HydrophobicContact CG2-CB 3.83Å; T227-F232 PolarHBondContact O-N 2.67Å; T227-A235 HydrophobicContact CG2-CB 4.06Å
228E98.8Very high98.7Very high115 Ų11569.2 Ų69.254%0.53733%0.334SS..Hα-helixtrans-65.1-44.5176.2-72174.6-179.900111.6K224 M225 A230 G231K224-E228 WeakPolarHBondContact CE-OE1 3.4Å; K224-E228 IonicContact NZ-OE1 3.99Å; K224-E228 WeakPolarHBondContact O-CG 3.42Å; K224-E228 PolarHBondContact O-N 2.89Å; M225-E228 PolarHBondContact O-N 3.07Å; E228-A230 PolarHBondContact O-N 3.37Å; E228-G231 WeakPolarHBondContact O-CA 3.48Å; E228-G231 PolarHBondContact O-N 3.4Å
229K98.8Very high98.7Very high79 Ų7967 Ų6734%0.34333%0.326SS..Hα-helixtrans-58.4-35.8174.6-76.1173.5177.1-78.80112.4W45 E48 M225 V226 G231W45-K229 HydrophobicContact CB-CB 4.34Å; W45-K229 HydrophobicContact CB-CD 3.84Å; W45-K229 HydrophobicContact CD2-CB 3.84Å; W45-K229 HydrophobicContact CE3-CB 4.36Å; W45-K229 HydrophobicContact CG-CB 3.83Å; W45-K229 HydrophobicContact CG-CD 3.87Å; W45-K229 HydrophobicContact CG-CG 4.39Å; W45-K229 WeakPolarHBondContact CZ2-O 3.14Å; E48-K229 IonicContact OE2-NZ 2.74Å; E48-K229 PolarHBondContact OE2-NZ 2.82Å; M225-K229 WeakPolarHBondContact O-CB 3.38Å; M225-K229 WeakPolarHBondContact O-CG 3.46Å; M225-K229 PolarHBondContact O-N 3.41Å; V226-K229 PolarHBondContact O-N 2.9Å; K229-G231 PolarHBondContact O-N 3.42Å
230A98.7Very high98.7Very high5 Ų568.6 Ų68.64%0.04135%0.345CS..THydrogen-bonded Turntrans-76.1-2.9174.700000114.2W45 I122 R125 F195 V226 T227 E228 F232W45-A230 HydrophobicContact CE3-CB 4.27Å; W45-A230 HydrophobicContact CH2-CB 4.36Å; W45-A230 HydrophobicContact CZ3-CB 3.7Å; I122-A230 HydrophobicContact CD1-CB 4.46Å; R125-A230 PolarHBondContact NH1-O 3.48Å; R125-A230 PolarHBondContact NH2-O 3.32Å; F195-A230 HydrophobicContact CD2-CB 4.38Å; F195-A230 HydrophobicContact CE1-CB 3.94Å; F195-A230 HydrophobicContact CE2-CB 3.77Å; F195-A230 HydrophobicContact CZ-CB 3.5Å; F195-A230 VanDerWaalsContact CZ-CB 3.5Å; V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 3.08Å; T227-A230 PolarHBondContact O-N 3.26Å; E228-A230 PolarHBondContact O-N 3.37Å; A230-F232 VanDerWaalsContact C-N 3.33Å; A230-F232 HydrophobicContact CB-CD2 4.06Å; A230-F232 PolarHBondContact O-N 3.37Å
231G98.6Very high98.7Very high52 Ų5266.3 Ų66.354%0.53633%0.334SS..THydrogen-bonded Turntrans73.620.418000000114R125 T227 E228 K229R125-G231 PolarHBondContact NH1-O 3.16Å; T227-G231 PolarHBondContact O-N 3.04Å; E228-G231 WeakPolarHBondContact O-CA 3.48Å; E228-G231 PolarHBondContact O-N 3.4Å; K229-G231 PolarHBondContact O-N 3.42Å
232F98.8Very high98.7Very high10 Ų1064.7 Ų64.74%0.04433%0.33CS..  trans-92.9139.1174-80.7-96.1000110.3L121 I122 R125 L193 F195 T227 A230L121-F232 HydrophobicContact CB-CZ 4.22Å; I122-F232 HydrophobicContact CG1-CE2 3.87Å; R125-F232 HydrophobicContact CB-CZ 4.13Å; L193-F232 HydrophobicContact CB-CE1 4.46Å; L193-F232 HydrophobicContact CD2-CE1 4.2Å; L193-F232 HydrophobicContact CD2-CZ 4.48Å; L193-F232 HydrophobicContact CG-CE1 4.17Å; L193-F232 WeakPolarHBondContact O-CD1 3.33Å; F195-F232 HydrophobicContact CB-CB 3.8Å; F195-F232 HydrophobicContact CB-CD1 4.1Å; F195-F232 HydrophobicContact CB-CD2 4.16Å; F195-F232 HydrophobicContact CB-CG 3.76Å; F195-F232 HydrophobicContact CD2-CD1 4.46Å; F195-F232 AromaticContact CD2-CD2 3.41Å; F195-F232 HydrophobicContact CD2-CD2 3.41Å; F195-F232 VanDerWaalsContact CD2-CD2 3.41Å; F195-F232 AromaticContact CD2-CE2 3.56Å; F195-F232 HydrophobicContact CD2-CE2 3.56Å; F195-F232 AromaticContact CD2-CG 3.9Å; F195-F232 HydrophobicContact CD2-CG 3.9Å; F195-F232 HydrophobicContact CD2-CZ 4.17Å; F195-F232 AromaticContact CE2-CD2 3.97Å; F195-F232 HydrophobicContact CE2-CD2 3.97Å; F195-F232 AromaticContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CG-CB 4.32Å; F195-F232 AromaticContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CG 4.11Å; T227-F232 HydrophobicContact CG2-CB 3.83Å; T227-F232 PolarHBondContact O-N 2.67Å; A230-F232 VanDerWaalsContact C-N 3.33Å; A230-F232 HydrophobicContact CB-CD2 4.06Å; A230-F232 PolarHBondContact O-N 3.37Å
233K97.9Very high98.7Very high188 Ų18864.9 Ų64.982%0.81733%0.33SS*.SBendtrans-74.7-29178.5-64.6179.8-179.31750112.8
234R97.9Very high98.7Very high195 Ų19567.5 Ų67.574%0.73635%0.347SS*.  trans-148.3146.8-174.3-71.8-175.4172.5170.1-4.1111.1R194 F195R194-R234 WeakPolarHBondContact CA-O 3.45Å; R194-R234 HydrophobicContact CG-CB 4.19Å; F195-R234 PolarHBondContact N-O 3.45Å
235A98.8Very high98.7Very high22 Ų2266.4 Ų66.418%0.18234%0.339CS..BIsolated β-bridgetrans-105.3165.7167.600000111.4F195 T227F195-A235 HydrophobicContact CB-CB 4.32Å; F195-A235 CarbonylContact O-C 3.55Å; F195-A235 WeakPolarHBondContact O-CA 3.36Å; F195-A235 WeakPolarHBondContact O-CB 3.47Å; T227-A235 HydrophobicContact CG2-CB 4.06Å
236F98.9Very high98.7Very high16 Ų1670 Ų707%0.0735%0.354CS..  trans-68.9137.9164.8-72.1-82.3000110.1R194 F195 K199 T239 T244 V247R194-F236 HydrophobicContact CB-CD2 3.83Å; R194-F236 HydrophobicContact CB-CE1 4.46Å; R194-F236 HydrophobicContact CB-CE2 3.62Å; R194-F236 HydrophobicContact CB-CG 4.32Å; R194-F236 HydrophobicContact CB-CZ 3.95Å; R194-F236 VanDerWaalsContact CZ-CD1 3.44Å; R194-F236 VanDerWaalsContact CZ-CE1 3.5Å; R194-F236 WeakPolarHBondContact O-CE2 3.47Å; F195-F236 WeakPolarHBondContact O-CD2 3.25Å; F195-F236 PolarHBondContact O-N 3.08Å; K199-F236 WeakPolarHBondContact CE-O 3.28Å; K199-F236 PolarHBondContact NZ-O 3.46Å; F236-T239 HydrophobicContact CB-CG2 3.57Å; F236-T239 HydrophobicContact CG-CG2 4.3Å; F236-T244 HydrophobicContact CE1-CG2 4.29Å; F236-T244 HydrophobicContact CZ-CG2 4.47Å; F236-V247 HydrophobicContact CE2-CG2 4.44Å; F236-V247 HydrophobicContact CZ-CG2 3.77Å
237I98.8Very high98.7Very high139 Ų13970.8 Ų70.871%0.71336%0.358SS*.SBendtrans-80.6-51.9167.7-64.5161.7000108.8
238I98.7Very high98.7Very high148 Ų14872.4 Ų72.476%0.75937%0.367SS*.SBendtrans-99.4120.5-177.6-54.1-59000110.2
239T98.8Very high98.7Very high21 Ų2171.8 Ų71.813%0.12937%0.366CS..  trans-137.715917066.50000109.5K199 G203 F236 T242K199-T239 WeakPolarHBondContact CB-OG1 3.47Å; K199-T239 HydrophobicContact CG-CG2 4.28Å; K199-T239 WeakPolarHBondContact CG-OG1 3.42Å; G203-T239 WeakPolarHBondContact CA-O 3.14Å; F236-T239 HydrophobicContact CB-CG2 3.57Å; F236-T239 HydrophobicContact CG-CG2 4.3Å; T239-T242 WeakPolarHBondContact CB-O 3.48Å
240G98.3Very high98.7Very high42 Ų4272.1 Ų72.143%0.43337%0.369SS..SBendtrans-82.8-134.8154.500000109G203 T242G203-G240 WeakPolarHBondContact CA-O 3.34Å; G203-G240 PolarHBondContact N-O 3.36Å; G240-T242 VanDerWaalsContact C-N 3.32Å
241Q98.6Very high98.7Very high85 Ų8572.2 Ų72.240%0.39737%0.369SS..SBendtrans-65.1-37.7169-171171.138.600112.2C113 R196 T201C113-Q241 HydrophobicContact CB-CG 4.28Å; C113-Q241 WeakPolarHBondContact CB-O 3.5Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 3.24Å; R196-Q241 PolarHBondContact NH2-O 3.35Å; T201-Q241 VanDerWaalsContact O-CA 3.25Å; T201-Q241 WeakPolarHBondContact O-CA 3.15Å; T201-Q241 WeakPolarHBondContact O-CB 3.43Å; T201-Q241 WeakPolarHBondContact O-CG 3.16Å
242T98.9Very high98.7Very high40 Ų4074.9 Ų74.925%0.24537%0.37CS..SBendtrans-110.2167.9-173.364.40000111.7D117 T239 G240 R245D117-T242 WeakPolarHBondContact OD2-CA 3.46Å; D117-T242 WeakPolarHBondContact OD2-CB 3.43Å; T239-T242 WeakPolarHBondContact CB-O 3.48Å; G240-T242 VanDerWaalsContact C-N 3.32Å; T242-R245 VanDerWaalsContact CG2-NH2 3.26Å
243Y98.8Very high98.7Very high5 Ų577.4 Ų77.42%0.0239%0.39CS..  trans-62158155.469.1-96.8000109.8D117 L121 R245 V247 D248D117-Y243 HydrophobicContact CB-CD1 3.65Å; D117-Y243 HydrophobicContact CB-CE1 3.88Å; D117-Y243 VanDerWaalsContact CG-CD1 3.48Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.38Å; D117-Y243 PolarHBondContact OD2-N 2.92Å; L121-Y243 HydrophobicContact CD1-CD1 3.75Å; L121-Y243 HydrophobicContact CD1-CE1 4.31Å; L121-Y243 HydrophobicContact CD1-CG 4.19Å; L121-Y243 HydrophobicContact CD2-CD1 4.12Å; L121-Y243 HydrophobicContact CD2-CD2 4.41Å; L121-Y243 HydrophobicContact CD2-CE1 4.16Å; L121-Y243 HydrophobicContact CD2-CE2 4.47Å; L121-Y243 HydrophobicContact CD2-CG 4.27Å; L121-Y243 HydrophobicContact CG-CD1 3.88Å; L121-Y243 HydrophobicContact CG-CE1 3.93Å; L121-Y243 HydrophobicContact CG-CG 4.45Å; Y243-R245 PolarHBondContact O-N 2.96Å; Y243-R245 PolarHBondContact OH-NH1 3.2Å; Y243-V247 HydrophobicContact CD2-CB 4.01Å; Y243-V247 HydrophobicContact CD2-CG1 4.48Å; Y243-V247 HydrophobicContact CD2-CG2 4.24Å; Y243-V247 HydrophobicContact CE2-CB 4.11Å; Y243-V247 HydrophobicContact CE2-CG1 4.39Å; Y243-D248 VanDerWaalsContact CE2-OD1 3.24Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.33Å; Y243-D248 PolarHBondContact OH-OD1 3.28Å
244T98.8Very high98.7Very high76 Ų7669 Ų6947%0.46635%0.353SS..  trans-68.5124.3179.3178.80000110.9F236 K246 V247F236-T244 HydrophobicContact CE1-CG2 4.29Å; F236-T244 HydrophobicContact CZ-CG2 4.47Å; T244-K246 HydrophobicContact CG2-CB 4.34Å; T244-K246 PolarHBondContact O-N 2.81Å; T244-K246 PolarHBondContact OG1-N 3.48Å; T244-V247 HydrophobicContact CG2-CG2 3.99Å; T244-V247 WeakPolarHBondContact O-CB 3.3Å; T244-V247 WeakPolarHBondContact O-CG2 3.37Å; T244-V247 PolarHBondContact O-N 3.44Å
245R98.8Very high98.8Very high104 Ų10462.6 Ų62.639%0.39233%0.334SS..THydrogen-bonded Turntrans-65-5.2178.3-55.7-60.4174.2-173-4.8113.6D117 T242 Y243 V247 D248 I249D117-R245 IonicContact OD1-CZ 2.68Å; D117-R245 IonicContact OD1-NH1 2.83Å; D117-R245 IonicContact OD1-NH2 3.55Å; D117-R245 PolarHBondContact OD1-NH2 3.37Å; D117-R245 IonicContact OD2-NH2 3.45Å; T242-R245 VanDerWaalsContact CG2-NH2 3.26Å; Y243-R245 PolarHBondContact O-N 2.96Å; Y243-R245 PolarHBondContact OH-NH1 3.2Å; R245-V247 PolarHBondContact O-N 2.97Å; R245-D248 WeakPolarHBondContact CD-OD2 3.49Å; R245-D248 IonicContact NH1-OD2 2.95Å; R245-D248 WeakPolarHBondContact O-CB 3.23Å; R245-D248 PolarHBondContact O-N 3.46Å; R245-D248 VanDerWaalsContact O-N 3.16Å; R245-I249 PolarHBondContact O-N 3.31Å
246K98.8Very high98.8Very high122 Ų12264.8 Ų64.853%0.5335%0.352SS..Hα-helixtrans-59.6-30164.8-175.9175.417061.80112.2T244 D248 I249 E250T244-K246 HydrophobicContact CG2-CB 4.34Å; T244-K246 PolarHBondContact O-N 2.81Å; T244-K246 PolarHBondContact OG1-N 3.48Å; K246-D248 VanDerWaalsContact C-N 3.29Å; K246-D248 PolarHBondContact O-N 2.76Å; K246-I249 WeakPolarHBondContact O-CB 3.48Å; K246-I249 PolarHBondContact O-N 3.38Å; K246-E250 PolarHBondContact O-N 3.31Å; K246-E250 VanDerWaalsContact O-N 3.09Å
247V98.8Very high98.7Very high15 Ų1566.4 Ų66.49%0.09137%0.365CS..Hα-helixtrans-57.9-44.1173.1172.50000110.6L121 L193 F236 Y243 T244 R245 I249 E250 V251L121-V247 HydrophobicContact CD2-CG1 4.42Å; L193-V247 HydrophobicContact CD1-CG1 3.47Å; L193-V247 VanDerWaalsContact CD1-CG1 3.47Å; F236-V247 HydrophobicContact CE2-CG2 4.44Å; F236-V247 HydrophobicContact CZ-CG2 3.77Å; Y243-V247 HydrophobicContact CD2-CB 4.01Å; Y243-V247 HydrophobicContact CD2-CG1 4.48Å; Y243-V247 HydrophobicContact CD2-CG2 4.24Å; Y243-V247 HydrophobicContact CE2-CB 4.11Å; Y243-V247 HydrophobicContact CE2-CG1 4.39Å; T244-V247 HydrophobicContact CG2-CG2 3.99Å; T244-V247 WeakPolarHBondContact O-CB 3.3Å; T244-V247 WeakPolarHBondContact O-CG2 3.37Å; T244-V247 PolarHBondContact O-N 3.44Å; R245-V247 PolarHBondContact O-N 2.97Å; V247-I249 VanDerWaalsContact C-N 3.29Å; V247-I249 PolarHBondContact O-N 3.4Å; V247-E250 PolarHBondContact O-N 3.49Å; V247-E250 VanDerWaalsContact O-N 3.09Å; V247-V251 HydrophobicContact CG1-CG2 4.47Å; V247-V251 WeakPolarHBondContact O-CG2 3.11Å; V247-V251 PolarHBondContact O-N 2.79Å
248D98.9Very high98.7Very high41 Ų4161.3 Ų61.322%0.21934%0.339CS..Hα-helixtrans-63.1-39-179.6-55.8-24.9000111.1Y243 R245 K246 E250 V251 L252Y243-D248 VanDerWaalsContact CE2-OD1 3.24Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.33Å; Y243-D248 PolarHBondContact OH-OD1 3.28Å; R245-D248 WeakPolarHBondContact CD-OD2 3.49Å; R245-D248 IonicContact NH1-OD2 2.95Å; R245-D248 WeakPolarHBondContact O-CB 3.23Å; R245-D248 PolarHBondContact O-N 3.46Å; R245-D248 VanDerWaalsContact O-N 3.16Å; K246-D248 VanDerWaalsContact C-N 3.29Å; K246-D248 PolarHBondContact O-N 2.76Å; D248-E250 PolarHBondContact O-N 3.09Å; D248-V251 PolarHBondContact O-N 3.08Å; D248-L252 WeakPolarHBondContact O-CB 2.91Å; D248-L252 WeakPolarHBondContact O-CD1 3.5Å; D248-L252 PolarHBondContact O-N 3.22Å
249I98.8Very high98.7Very high103 Ų10356.2 Ų56.253%0.52832%0.323SS..Hα-helixtrans-60.6-46.1173.9-61.2173.1000110.5R245 K246 V247 V251 L252 S253R245-I249 PolarHBondContact O-N 3.31Å; K246-I249 WeakPolarHBondContact O-CB 3.48Å; K246-I249 PolarHBondContact O-N 3.38Å; V247-I249 VanDerWaalsContact C-N 3.29Å; V247-I249 PolarHBondContact O-N 3.4Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.45Å; I249-L252 PolarHBondContact O-N 3.04Å; I249-S253 WeakPolarHBondContact O-CB 3.4Å; I249-S253 PolarHBondContact O-N 2.83Å; I249-S253 PolarHBondContact O-OG 3.11Å
250E98.7Very high98.6Very high86 Ų8658.2 Ų58.240%0.40234%0.342SS..Hα-helixtrans-63-40.7179.7-72.5179.7-174.200112.2K246 V247 D248 V254K246-E250 PolarHBondContact O-N 3.31Å; K246-E250 VanDerWaalsContact O-N 3.09Å; V247-E250 PolarHBondContact O-N 3.49Å; V247-E250 VanDerWaalsContact O-N 3.09Å; D248-E250 PolarHBondContact O-N 3.09Å; E250-V254 PolarHBondContact O-N 3Å
251V98.8Very high98.5Very high6 Ų656.7 Ų56.74%0.03633%0.325CS..Hα-helixtrans-65.8-50.3176.2178.30000111.3L124 V189 V247 D248 I249 S253 V254 L255L124-V251 HydrophobicContact CD2-CG1 4.32Å; V189-V251 HydrophobicContact CG1-CB 4.39Å; V189-V251 HydrophobicContact CG1-CG2 3.64Å; V247-V251 HydrophobicContact CG1-CG2 4.47Å; V247-V251 WeakPolarHBondContact O-CG2 3.11Å; V247-V251 PolarHBondContact O-N 2.79Å; D248-V251 PolarHBondContact O-N 3.08Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.45Å; V251-S253 VanDerWaalsContact C-N 3.35Å; V251-S253 PolarHBondContact O-N 3.35Å; V251-V254 WeakPolarHBondContact O-CG2 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.16Å; V251-L255 PolarHBondContact O-N 3.31Å
252L98.8Very high98.3Very high108 Ų10855.8 Ų55.857%0.56533%0.325SS*.Hα-helixtrans-72.1-30-176.4-87.564.9000112.3D248 I249 V254 L255 A256D248-L252 WeakPolarHBondContact O-CB 2.91Å; D248-L252 WeakPolarHBondContact O-CD1 3.5Å; D248-L252 PolarHBondContact O-N 3.22Å; I249-L252 PolarHBondContact O-N 3.04Å; L252-V254 PolarHBondContact O-N 3.12Å; L252-L255 PolarHBondContact O-N 2.78Å; L252-A256 WeakPolarHBondContact O-CB 3.24Å; L252-A256 PolarHBondContact O-N 3.15Å
253S98.8Very high97.9Very high64 Ų6459 Ų5945%0.44834%0.337SS..Hα-helixtrans-64.1-40.7178.4-63.20000112I249 V251 L255 A256 S257I249-S253 WeakPolarHBondContact O-CB 3.4Å; I249-S253 PolarHBondContact O-N 2.83Å; I249-S253 PolarHBondContact O-OG 3.11Å; V251-S253 VanDerWaalsContact C-N 3.35Å; V251-S253 PolarHBondContact O-N 3.35Å; S253-L255 VanDerWaalsContact C-N 3.31Å; S253-L255 PolarHBondContact O-N 3.35Å; S253-A256 PolarHBondContact O-N 3.23Å; S253-S257 PolarHBondContact O-N 3.27Å
254V98.8Very high97.3Very high10 Ų1062.6 Ų62.66%0.06135%0.352CS..Hα-helixtrans-70.8-29.9177.8-58.80000112N185 L186 V189 E250 V251 L252 L258N185-V254 HydrophobicContact CB-CB 4.15Å; N185-V254 HydrophobicContact CB-CG1 3.79Å; L186-V254 HydrophobicContact CD1-CB 4.01Å; L186-V254 HydrophobicContact CD1-CG2 3.86Å; L186-V254 HydrophobicContact CG-CG2 4.42Å; V189-V254 HydrophobicContact CG2-CG1 3.86Å; V189-V254 HydrophobicContact CG2-CG2 4.11Å; E250-V254 PolarHBondContact O-N 3Å; V251-V254 WeakPolarHBondContact O-CG2 3.32Å; L252-V254 PolarHBondContact O-N 3.12Å; V254-L258 PolarHBondContact O-N 3.22Å; V254-L258 VanDerWaalsContact O-N 3.08Å
255L98.8Very high96.3Very high61 Ų6160.1 Ų60.132%0.31934%0.337SS..Hα-helixtrans-72.7-37.2172.8-61.8179.1000112.2L131 V251 L252 S253 L258 G259L131-L255 HydrophobicContact CD1-CD2 3.77Å; V251-L255 WeakPolarHBondContact O-CG 3.16Å; V251-L255 PolarHBondContact O-N 3.31Å; L252-L255 PolarHBondContact O-N 2.78Å; S253-L255 VanDerWaalsContact C-N 3.31Å; S253-L255 PolarHBondContact O-N 3.35Å; L255-L258 PolarHBondContact O-N 3.31Å; L255-G259 PolarHBondContact O-N 3.01Å
256A98.7Very high94.4Very high68 Ų6860.2 Ų60.256%0.56234%0.344SS*.Hα-helixtrans-64.8-42173.700000111.6L252 S253 G259 A260L252-A256 WeakPolarHBondContact O-CB 3.24Å; L252-A256 PolarHBondContact O-N 3.15Å; S253-A256 PolarHBondContact O-N 3.23Å; A256-G259 WeakPolarHBondContact O-CA 3.43Å; A256-G259 PolarHBondContact O-N 2.94Å; A256-G259 VanDerWaalsContact O-N 3.14Å; A256-A260 PolarHBondContact O-N 2.92Å; A256-A260 VanDerWaalsContact O-N 3.13Å
257S98.6Very high92.3Very high51 Ų5159.9 Ų59.936%0.35735%0.345SS..Hα-helixtrans-55.9-49.9171.6-179.90000111.4D182 S253 G259 A260 S261D182-S257 PolarHBondContact OD1-OG 3.39Å; S253-S257 PolarHBondContact O-N 3.27Å; S257-G259 VanDerWaalsContact C-N 3.25Å; S257-G259 PolarHBondContact O-N 3.36Å; S257-A260 WeakPolarHBondContact O-CB 3.22Å; S257-A260 PolarHBondContact O-N 3.45Å; S257-S261 PolarHBondContact O-N 3.38Å; S257-S261 PolarHBondContact O-OG 3.47Å
258L98.6Very high90Very high32 Ų3262.4 Ų62.417%0.16835%0.352CS..Hα-helixtrans-57.7-38.9175.6175.362.7000112.2L135 L179 D182 V254 L255 A260 S261 V262L135-L258 HydrophobicContact CD1-CD1 4.14Å; L179-L258 HydrophobicContact CD2-CD1 3.85Å; D182-L258 HydrophobicContact CB-CB 4.33Å; D182-L258 HydrophobicContact CB-CD1 3.92Å; D182-L258 PolarHBondContact OD1-N 3.42Å; D182-L258 WeakPolarHBondContact OD2-CD1 3.41Å; V254-L258 PolarHBondContact O-N 3.22Å; V254-L258 VanDerWaalsContact O-N 3.08Å; L255-L258 PolarHBondContact O-N 3.31Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.33Å; L258-S261 WeakPolarHBondContact O-CB 3.49Å; L258-S261 PolarHBondContact O-N 2.66Å; L258-V262 HydrophobicContact CD1-CG2 4.05Å; L258-V262 HydrophobicContact CG-CG2 4.41Å; L258-V262 WeakPolarHBondContact O-CG2 3.27Å; L258-V262 PolarHBondContact O-N 3.28Å
259G97.9Very high87.6Confident40 Ų4069.8 Ų69.841%0.41238%0.377SS..Hα-helixtrans-57-43.917400000112.8L255 A256 S257 V262 H263L255-G259 PolarHBondContact O-N 3.01Å; A256-G259 WeakPolarHBondContact O-CA 3.43Å; A256-G259 PolarHBondContact O-N 2.94Å; A256-G259 VanDerWaalsContact O-N 3.14Å; S257-G259 VanDerWaalsContact C-N 3.25Å; S257-G259 PolarHBondContact O-N 3.36Å; G259-V262 PolarHBondContact O-N 3.06Å; G259-H263 WeakPolarHBondContact O-CB 3.36Å; G259-H263 PolarHBondContact O-N 3.41Å
260A96.9Very high84.7Confident64 Ų6471.4 Ų71.453%0.52939%0.386SS..Hα-helixtrans-65.2-43.3176.300000112.2A256 S257 L258 V262 H263 K264A256-A260 PolarHBondContact O-N 2.92Å; A256-A260 VanDerWaalsContact O-N 3.13Å; S257-A260 WeakPolarHBondContact O-CB 3.22Å; S257-A260 PolarHBondContact O-N 3.45Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.33Å; A260-V262 PolarHBondContact O-N 3.44Å; A260-H263 PolarHBondContact O-N 3.47Å; A260-K264 PolarHBondContact O-N 3.13Å
261S96.3Very high81.9Confident10 Ų1074.8 Ų74.87%0.0740%0.395CS..Hα-helixtrans-56.6-49.6174.6-570000111.2D182 S257 L258 K264 V265D182-S261 WeakPolarHBondContact OD2-CB 3.27Å; D182-S261 PolarHBondContact OD2-OG 3.04Å; S257-S261 PolarHBondContact O-N 3.38Å; S257-S261 PolarHBondContact O-OG 3.47Å; L258-S261 WeakPolarHBondContact O-CB 3.49Å; L258-S261 PolarHBondContact O-N 2.66Å; S261-K264 PolarHBondContact O-N 3.44Å; S261-V265 WeakPolarHBondContact O-CG2 3.4Å; S261-V265 PolarHBondContact O-N 2.93Å
262V94.5Very high79.3Confident65 Ų6578 Ų7839%0.39441%0.409SS..Hα-helixtrans-65.1-41.5-179.4172.60000111.7L258 G259 A260 K264 V265 I266L258-V262 HydrophobicContact CD1-CG2 4.05Å; L258-V262 HydrophobicContact CG-CG2 4.41Å; L258-V262 WeakPolarHBondContact O-CG2 3.27Å; L258-V262 PolarHBondContact O-N 3.28Å; G259-V262 PolarHBondContact O-N 3.06Å; A260-V262 PolarHBondContact O-N 3.44Å; V262-K264 PolarHBondContact O-N 2.96Å; V262-V265 WeakPolarHBondContact O-CB 3.47Å; V262-V265 PolarHBondContact O-N 3.29Å; V262-I266 HydrophobicContact CG1-CD1 4.04Å; V262-I266 PolarHBondContact O-N 2.96Å
263H90.8Very high76.6Confident109 Ų10980.9 Ų80.951%0.50542%0.42SS..Hα-helixtrans-58.4-47.5179-167.8-88000111.9G259 A260 V265 I266 E267G259-H263 WeakPolarHBondContact O-CB 3.36Å; G259-H263 PolarHBondContact O-N 3.41Å; A260-H263 PolarHBondContact O-N 3.47Å; H263-V265 VanDerWaalsContact C-N 3.26Å; H263-V265 PolarHBondContact O-N 3.14Å; H263-I266 PolarHBondContact O-N 3.37Å; H263-I266 VanDerWaalsContact O-N 3.11Å; H263-E267 IonicContact CE1-OE1 2.71Å; H263-E267 PolarHBondContact CE1-OE1 3.24Å; H263-E267 IonicContact CE1-OE2 3.24Å; H263-E267 VanDerWaalsContact ND1-CD 3.33Å; H263-E267 IonicContact ND1-OE1 3.6Å; H263-E267 IonicContact ND1-OE2 3.66Å; H263-E267 PolarHBondContact ND1-OE2 3.22Å; H263-E267 PolarHBondContact O-N 3.03Å; H263-E267 VanDerWaalsContact O-N 3.16Å
264K85.6Confident74Confident79 Ų7981.8 Ų81.834%0.34342%0.419SS..Hα-helixtrans-59.3-32.9177.8170.6174.5165.1-103.50113.3L174 D178 A260 S261 V262L174-K264 PolarHBondContact O-NZ 3.27Å; D178-K264 IonicContact OD2-NZ 3.23Å; D178-K264 PolarHBondContact OD2-NZ 3.26Å; A260-K264 PolarHBondContact O-N 3.13Å; S261-K264 PolarHBondContact O-N 3.44Å; V262-K264 PolarHBondContact O-N 2.96Å
265V77.2Confident71.6Confident24 Ų2483.7 Ų83.715%0.14543%0.432CS..Hα-helixtrans-67.6-40.6176.8177.70000111.3W175 S261 V262 H263W175-V265 HydrophobicContact CB-CG2 3.74Å; W175-V265 HydrophobicContact CD2-CG1 4.12Å; W175-V265 HydrophobicContact CD2-CG2 4.28Å; W175-V265 HydrophobicContact CE3-CG1 4.27Å; W175-V265 HydrophobicContact CG-CB 4.48Å; W175-V265 HydrophobicContact CG-CG1 4.36Å; W175-V265 HydrophobicContact CG-CG2 3.68Å; S261-V265 WeakPolarHBondContact O-CG2 3.4Å; S261-V265 PolarHBondContact O-N 2.93Å; V262-V265 WeakPolarHBondContact O-CB 3.47Å; V262-V265 PolarHBondContact O-N 3.29Å; H263-V265 VanDerWaalsContact C-N 3.26Å; H263-V265 PolarHBondContact O-N 3.14Å
266I58.9Low69.6Low106 Ų10684 Ų8454%0.54443%0.431SS..Hα-helixtrans-72.6-47.9-175.2-64.1169.6000111.1V262 H263 R268 R269V262-I266 HydrophobicContact CG1-CD1 4.04Å; V262-I266 PolarHBondContact O-N 2.96Å; H263-I266 PolarHBondContact O-N 3.37Å; H263-I266 VanDerWaalsContact O-N 3.11Å; I266-R268 VanDerWaalsContact C-N 3.27Å; I266-R268 PolarHBondContact O-N 2.8Å; I266-R269 PolarHBondContact O-N 3.12Å
267E55.5Low67.7Low116 Ų11682.7 Ų82.754%0.54241%0.414SS..Hα-helixtrans-60.2-34.5-176.1-71.7-174.2132.400113.4H263 R269H263-E267 IonicContact CE1-OE1 2.71Å; H263-E267 PolarHBondContact CE1-OE1 3.24Å; H263-E267 IonicContact CE1-OE2 3.24Å; H263-E267 VanDerWaalsContact ND1-CD 3.33Å; H263-E267 IonicContact ND1-OE1 3.6Å; H263-E267 IonicContact ND1-OE2 3.66Å; H263-E267 PolarHBondContact ND1-OE2 3.22Å; H263-E267 PolarHBondContact O-N 3.03Å; H263-E267 VanDerWaalsContact O-N 3.16Å; E267-R269 VanDerWaalsContact C-N 3.3Å; E267-R269 PolarHBondContact O-N 3.17Å
268R49.8Very low66Low67 Ų6781.3 Ų81.325%0.25341%0.405SS..G310 helixtrans-74.6-16.3-174.4-162.8174.5-176.3174.87.3114W175 I266W175-R268 HydrophobicContact CZ2-CB 4.44Å; I266-R268 VanDerWaalsContact C-N 3.27Å; I266-R268 PolarHBondContact O-N 2.8Å
269R48.3Very low64.7Low196 Ų19681.8 Ų81.874%0.7441%0.409SS*.G310 helixtrans-75.2-25.6-179.8-173.1177.2-67.8-173.2-0.6113I266 E267 R271I266-R269 PolarHBondContact O-N 3.12Å; E267-R269 VanDerWaalsContact C-N 3.3Å; E267-R269 PolarHBondContact O-N 3.17Å; R269-R271 VanDerWaalsContact C-N 3.32Å; R269-R271 PolarHBondContact O-N 3.06Å
270I37.9Very low63.5Low137 Ų13783.6 Ų83.670%0.70341%0.407SS*.G310 helixtrans-84.2-2.8-165.8-66.4174.7000113.2
271R41.3Very low62.4Low157 Ų15782.3 Ų82.359%0.59239%0.391SS*.  trans-146.981.9-157.2-81.4-168.8-163.7-178.87.4112.9F160 R269F160-R271 HydrophobicContact CE1-CB 4.02Å; F160-R271 HydrophobicContact CE1-CG 4.23Å; F160-R271 HydrophobicContact CE2-CB 3.71Å; F160-R271 WeakPolarHBondContact CE2-O 3.4Å; F160-R271 HydrophobicContact CZ-CB 3.39Å; F160-R271 HydrophobicContact CZ-CG 4.08Å; F160-R271 WeakPolarHBondContact CZ-O 3.34Å; R269-R271 VanDerWaalsContact C-N 3.32Å; R269-R271 PolarHBondContact O-N 3.06Å
272Q42.7Very low61.7Low74 Ų7481.9 Ų81.935%0.34639%0.388SS..  trans-145.1127.9170.4-63.7-162.812.300113.5F157F157-Q272 HydrophobicContact CD2-CG 4.28Å; F157-Q272 HydrophobicContact CE2-CB 3.87Å; F157-Q272 HydrophobicContact CE2-CG 3.48Å; F157-Q272 VanDerWaalsContact CE2-CG 3.48Å; F157-Q272 HydrophobicContact CZ-CB 3.94Å; F157-Q272 HydrophobicContact CZ-CG 4.01Å
273E42.2Very low61.1Low168 Ų16879 Ų7979%0.78537%0.37SS*.  trans-150.3151.9158.9-73.6-5515800110.9L155L155-E273 WeakPolarHBondContact CD2-O 3.41Å
274L44.9Very low60.6Low84 Ų8478.6 Ų78.644%0.4437%0.37SS..  trans-119.7145-173.3-163.6120.4000110.8L155 L165 M277L155-L274 HydrophobicContact CB-CD1 3.32Å; L155-L274 HydrophobicContact CB-CG 4.46Å; L155-L274 HydrophobicContact CD1-CD1 3.46Å; L155-L274 VanDerWaalsContact CD1-CD1 3.46Å; L155-L274 HydrophobicContact CD1-CG 4.26Å; L155-L274 VanDerWaalsContact CD2-CA 3.5Å; L155-L274 HydrophobicContact CD2-CB 3.73Å; L155-L274 HydrophobicContact CD2-CD1 3.58Å; L155-L274 HydrophobicContact CD2-CG 3.87Å; L155-L274 HydrophobicContact CG-CD1 3.57Å; L155-L274 HydrophobicContact CG-CG 4.39Å; L165-L274 HydrophobicContact CD2-CD1 4.27Å; L274-M277 HydrophobicContact CD1-CE 3.9Å; L274-M277 HydrophobicContact CD1-SD 4.4Å
275P47.6Very low60.7Low50 Ų5075.2 Ų75.233%0.32536%0.357SS..  -169.7105.589.638.4-12.6000118.4N318P275-N318 HydrophobicContact CB-CB 4.44Å; P275-N318 HydrophobicContact CG-CB 3.7Å; P275-N318 PolarHBondContact O-ND2 2.83Å
276F57.2Low61.3Low66 Ų6674.3 Ų74.329%0.28935%0.351SS..  trans-151.87.3169.5-79.2-67.4000118.8A278 A308 V311 N318F276-A278 PolarHBondContact O-N 2.89Å; F276-A308 HydrophobicContact CE1-CB 4.31Å; F276-A308 HydrophobicContact CZ-CB 4.02Å; F276-V311 HydrophobicContact CZ-CG2 4.37Å; F276-N318 WeakPolarHBondContact CD1-ND2 3.49Å; F276-N318 WeakPolarHBondContact CE1-ND2 3.13Å
277M58.3Low62.7Low42 Ų4272.3 Ų72.321%0.20734%0.344CS..THydrogen-bonded Turntrans-90.45.3-163-67.9104.658.600119.3L155 P162 A163 L165 L274L155-M277 HydrophobicContact CD1-CE 3.23Å; L155-M277 HydrophobicContact CD1-SD 3.1Å; L155-M277 WeakPolarHBondContact CD1-SD 3.16Å; P162-M277 HydrophobicContact CB-SD 4.06Å; A163-M277 WeakPolarHBondContact O-CE 3.31Å; A163-M277 WeakPolarHBondContact O-CG 3.28Å; L165-M277 HydrophobicContact CB-CE 4.43Å; L165-M277 HydrophobicContact CD2-CE 3.23Å; L165-M277 HydrophobicContact CG-CE 3.48Å; L165-M277 VanDerWaalsContact CG-CE 3.48Å; L274-M277 HydrophobicContact CD1-CE 3.9Å; L274-M277 HydrophobicContact CD1-SD 4.4Å
278A63.8Low64.4Low21 Ų2176 Ų7617%0.17436%0.358CS..THydrogen-bonded Turntrans-89.8-2.9-171.300000116.1F276 E280 N281 I282 L341 F346F276-A278 PolarHBondContact O-N 2.89Å; A278-E280 PolarHBondContact O-N 3.35Å; A278-N281 PolarHBondContact O-N 3.3Å; A278-I282 WeakPolarHBondContact O-CG1 3.49Å; A278-I282 PolarHBondContact O-N 3Å; A278-L341 HydrophobicContact CB-CD2 3.22Å; A278-F346 HydrophobicContact CB-CZ 4.19Å
279T70.3Confident66.3Low42 Ų4275.2 Ų75.226%0.25837%0.366SS..Hα-helixtrans-62.5-37.6-167.449.90000114.4I282 I283 I300 L320T279-I282 PolarHBondContact O-N 3.36Å; T279-I283 WeakPolarHBondContact O-CG1 3.36Å; T279-I283 PolarHBondContact O-N 3.01Å; T279-I300 HydrophobicContact CG2-CG2 3.54Å; T279-L320 HydrophobicContact CG2-CD2 4.14Å
280E72.8Confident68.2Low79 Ų7969.4 Ų69.437%0.36937%0.367SS..Hα-helixtrans-69.1-35.7-179.3-170.264.9-163.100112.8A278 I282 I283 M284 R293A278-E280 PolarHBondContact O-N 3.35Å; E280-I282 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 3.1Å; E280-I283 PolarHBondContact O-N 3.01Å; E280-M284 WeakPolarHBondContact O-CG 3.41Å; E280-M284 PolarHBondContact O-N 3.19Å; E280-R293 IonicContact OE1-CZ 3.63Å; E280-R293 IonicContact OE1-NH2 2.85Å; E280-R293 PolarHBondContact OE1-NH2 3.11Å
281N75.8Confident70.7Confident36 Ų3664.1 Ų64.119%0.19335%0.346CS..Hα-helixtrans-66-36.7177.9-8022.7000111.8A278 M284 A285 F346A278-N281 PolarHBondContact O-N 3.3Å; N281-M284 HydrophobicContact CB-CE 4.46Å; N281-M284 PolarHBondContact O-N 3.41Å; N281-M284 VanDerWaalsContact OD1-CE 3.3Å; N281-M284 WeakPolarHBondContact OD1-CE 3.21Å; N281-A285 WeakPolarHBondContact O-CB 3.26Å; N281-A285 PolarHBondContact O-N 3.27Å; N281-F346 HydrophobicContact CB-CE1 4.01Å; N281-F346 HydrophobicContact CB-CZ 3.85Å; N281-F346 VanDerWaalsContact CG-CZ 3.46Å; N281-F346 WeakPolarHBondContact ND2-CE1 3.46Å; N281-F346 WeakPolarHBondContact ND2-CZ 3.35Å
282I80.5Confident73.1Confident1 Ų159 Ų591%0.00534%0.335CS..Hα-helixtrans-65.9-40.6176.6-60.2177.3000110.1A278 T279 E280 A285 M286 I300 I324 F330 I333A278-I282 WeakPolarHBondContact O-CG1 3.49Å; A278-I282 PolarHBondContact O-N 3Å; T279-I282 PolarHBondContact O-N 3.36Å; E280-I282 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 3.1Å; I282-A285 PolarHBondContact O-N 3.33Å; I282-M286 PolarHBondContact O-N 3.33Å; I282-I300 HydrophobicContact CB-CD1 3.88Å; I282-I300 HydrophobicContact CG2-CD1 3.53Å; I282-I300 HydrophobicContact CG2-CG1 4.45Å; I282-I324 HydrophobicContact CD1-CD1 3.65Å; I282-F330 HydrophobicContact CG2-CD1 4.2Å; I282-F330 HydrophobicContact CG2-CE1 4.22Å; I282-I333 HydrophobicContact CB-CD1 4.45Å; I282-I333 HydrophobicContact CG2-CD1 3.45Å; I282-I333 VanDerWaalsContact CG2-CD1 3.45Å
283I82.4Confident75.2Confident4 Ų462.8 Ų62.82%0.02135%0.346CS..Hα-helixtrans-61.5-48.1174.2-63.8170.6000111.1T279 E280 A285 M286 V287 R293 H297 I300T279-I283 WeakPolarHBondContact O-CG1 3.36Å; T279-I283 PolarHBondContact O-N 3.01Å; E280-I283 PolarHBondContact O-N 3.01Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.03Å; I283-M286 PolarHBondContact O-N 3.24Å; I283-V287 HydrophobicContact CG2-CG2 4.49Å; I283-V287 WeakPolarHBondContact O-CG2 3.45Å; I283-V287 PolarHBondContact O-N 3.13Å; I283-R293 HydrophobicContact CG2-CG 3.77Å; I283-H297 HydrophobicContact CD1-CB 4.04Å; I283-I300 HydrophobicContact CD1-CD1 4.43Å; I283-I300 HydrophobicContact CG1-CD1 3.56Å
284M80.9Confident77.3Confident101 Ų10161.8 Ų61.850%0.49834%0.341SS..Hα-helixtrans-61.6-40.3179.8-70.5-171-64.500112.3E280 N281 V287 K288E280-M284 WeakPolarHBondContact O-CG 3.41Å; E280-M284 PolarHBondContact O-N 3.19Å; N281-M284 HydrophobicContact CB-CE 4.46Å; N281-M284 PolarHBondContact O-N 3.41Å; N281-M284 VanDerWaalsContact OD1-CE 3.3Å; N281-M284 WeakPolarHBondContact OD1-CE 3.21Å; M284-V287 PolarHBondContact O-N 3.22Å; M284-K288 WeakPolarHBondContact O-CB 3.38Å; M284-K288 PolarHBondContact O-N 3Å
285A86.3Confident79.4Confident8 Ų862.2 Ų62.27%0.06634%0.344CS..Hα-helixtrans-64.3-42.617700000112.2N281 I282 I283 K288 A289 I333 L340N281-A285 WeakPolarHBondContact O-CB 3.26Å; N281-A285 PolarHBondContact O-N 3.27Å; I282-A285 PolarHBondContact O-N 3.33Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.03Å; A285-K288 PolarHBondContact O-N 3.32Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 2.85Å; A285-I333 HydrophobicContact CB-CB 4.46Å; A285-I333 HydrophobicContact CB-CG2 3.75Å; A285-L340 HydrophobicContact CB-CD1 3.38Å; A285-L340 HydrophobicContact CB-CD2 3.8Å; A285-L340 HydrophobicContact CB-CG 4.24Å
286M89.8Confident81.3Confident6 Ų659.8 Ų59.83%0.0333%0.328CS..Hα-helixtrans-63.1-42.1176.1-78.7-57.7-6500112.5I282 I283 K288 A289 G290 G291 C296 Y329 F330 P332 I333I282-M286 PolarHBondContact O-N 3.33Å; I283-M286 PolarHBondContact O-N 3.24Å; M286-K288 VanDerWaalsContact C-N 3.34Å; M286-K288 PolarHBondContact O-N 3.14Å; M286-A289 PolarHBondContact O-N 2.92Å; M286-G290 PolarHBondContact O-N 3.17Å; M286-G291 WeakPolarHBondContact O-CA 3.34Å; M286-G291 PolarHBondContact O-N 3.37Å; M286-C296 HydrophobicContact CB-CB 4.25Å; M286-C296 VanDerWaalsContact CB-SG 3.54Å; M286-C296 VanDerWaalsContact CG-SG 3.54Å; M286-Y329 HydrophobicContact CE-CD1 4.05Å; M286-Y329 HydrophobicContact CE-CE1 3.71Å; M286-Y329 WeakPolarHBondContact CE-O 3.31Å; M286-F330 HydrophobicContact CG-CD1 3.95Å; M286-F330 HydrophobicContact CG-CE1 4.37Å; M286-F330 HydrophobicContact SD-CD1 4.13Å; M286-P332 HydrophobicContact CE-CG 4.36Å; M286-I333 HydrophobicContact CG-CD1 3.84Å; M286-I333 HydrophobicContact CG-CG1 4.24Å; M286-I333 HydrophobicContact CG-CG2 4.19Å; M286-I333 HydrophobicContact SD-CB 4.23Å; M286-I333 HydrophobicContact SD-CD1 3.95Å; M286-I333 HydrophobicContact SD-CG1 3.66Å; M286-I333 HydrophobicContact SD-CG2 3.63Å
287V89.4Confident82.7Confident64 Ų6461 Ų6139%0.38834%0.335SS..Hα-helixtrans-63.3-41.9175.8173.60000111.1I283 M284 A289 G290 G291 R293I283-V287 HydrophobicContact CG2-CG2 4.49Å; I283-V287 WeakPolarHBondContact O-CG2 3.45Å; I283-V287 PolarHBondContact O-N 3.13Å; M284-V287 PolarHBondContact O-N 3.22Å; V287-A289 VanDerWaalsContact C-N 3.26Å; V287-A289 PolarHBondContact O-N 3.43Å; V287-G290 PolarHBondContact O-N 3.47Å; V287-G291 WeakPolarHBondContact CA-O 3.32Å; V287-R293 HydrophobicContact CG2-CB 3.69Å; V287-R293 HydrophobicContact CG2-CG 4.17Å
288K89.8Confident84.1Confident192 Ų19263 Ų6384%0.83534%0.343SS*.Hα-helixtrans-64.7-30.9176.5-169.5179.7178.8-174.80112.6M284 A285 M286 G290M284-K288 WeakPolarHBondContact O-CB 3.38Å; M284-K288 PolarHBondContact O-N 3Å; A285-K288 PolarHBondContact O-N 3.32Å; M286-K288 VanDerWaalsContact C-N 3.34Å; M286-K288 PolarHBondContact O-N 3.14Å; K288-G290 PolarHBondContact O-N 3.4Å
289A90.2Very high85.3Confident51 Ų5165.6 Ų65.642%0.42135%0.351SS..THydrogen-bonded Turntrans-78.25.8173.500000113.8A285 M286 V287 P332 I333A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 2.85Å; M286-A289 PolarHBondContact O-N 2.92Å; V287-A289 VanDerWaalsContact C-N 3.26Å; V287-A289 PolarHBondContact O-N 3.43Å; A289-P332 HydrophobicContact CB-CB 3.82Å; A289-I333 HydrophobicContact CB-CG2 4.49Å
290G88.8Confident86Confident74 Ų7463.8 Ų63.876%0.76334%0.34SS*.THydrogen-bonded Turntrans94.18177.700000114.9M286 V287 K288M286-G290 PolarHBondContact O-N 3.17Å; V287-G290 PolarHBondContact O-N 3.47Å; K288-G290 PolarHBondContact O-N 3.4Å
291G88.9Confident86.7Confident26 Ų2664.6 Ų64.627%0.26834%0.339SS..  trans-81.6162.5178.200000114.5M286 V287M286-G291 WeakPolarHBondContact O-CA 3.34Å; M286-G291 PolarHBondContact O-N 3.37Å; V287-G291 WeakPolarHBondContact CA-O 3.32Å
292S92.8Very high87.3Confident50 Ų5065.4 Ų65.435%0.3535%0.346SS..  trans-79.5130.4174.7164.90000111.2Q294 D295 C296 Y329S292-Q294 VanDerWaalsContact C-N 3.3Å; S292-Q294 PolarHBondContact O-N 3.33Å; S292-Q294 PolarHBondContact OG-N 3.04Å; S292-D295 WeakPolarHBondContact CB-OD2 3.1Å; S292-D295 PolarHBondContact OG-N 3.16Å; S292-D295 PolarHBondContact OG-OD2 3.37Å; S292-C296 VanDerWaalsContact O-CB 3.31Å; S292-C296 WeakPolarHBondContact O-CB 3.49Å; S292-C296 PolarHBondContact O-N 2.66Å; S292-Y329 PolarHBondContact O-OH 3.18Å
293R86Confident87.7Confident154 Ų15466.2 Ų66.258%0.58135%0.35SS*.Hα-helixtrans-60.5-42176.8-171177.7-171.6166.75.5111.5E280 I283 V287 C296 H297E280-R293 IonicContact OE1-CZ 3.63Å; E280-R293 IonicContact OE1-NH2 2.85Å; E280-R293 PolarHBondContact OE1-NH2 3.11Å; I283-R293 HydrophobicContact CG2-CG 3.77Å; V287-R293 HydrophobicContact CG2-CB 3.69Å; V287-R293 HydrophobicContact CG2-CG 4.17Å; R293-C296 PolarHBondContact O-N 2.97Å; R293-H297 WeakPolarHBondContact O-CB 3.28Å; R293-H297 PolarHBondContact O-N 2.91Å
294Q86.4Confident87.7Confident146 Ų14667.1 Ų67.168%0.68236%0.356SS*.Hα-helixtrans-66.8-45.6-175.4-167.668.110.100111S292 C296 H297 E298S292-Q294 VanDerWaalsContact C-N 3.3Å; S292-Q294 PolarHBondContact O-N 3.33Å; S292-Q294 PolarHBondContact OG-N 3.04Å; Q294-C296 VanDerWaalsContact C-N 3.34Å; Q294-H297 PolarHBondContact O-N 3.26Å; Q294-E298 PolarHBondContact O-N 3.19Å; Q294-E298 VanDerWaalsContact O-N 3.15Å
295D90.1Very high87.9Confident93 Ų9367.8 Ų67.850%0.49736%0.358SS..Hα-helixtrans-67.9-37.6179.6-58.6-39.6000111.2S292 K299 Y329S292-D295 WeakPolarHBondContact CB-OD2 3.1Å; S292-D295 PolarHBondContact OG-N 3.16Å; S292-D295 PolarHBondContact OG-OD2 3.37Å; D295-K299 PolarHBondContact O-N 3.26Å; D295-K299 VanDerWaalsContact O-N 3.13Å; D295-Y329 HydrophobicContact CB-CE2 4.41Å
296C87.8Confident88Confident0 Ų071.2 Ų71.20%037%0.373CS..Hα-helixtrans-67.2-43.9177.2-168.30000112.4M286 S292 R293 Q294 I300 Y329M286-C296 HydrophobicContact CB-CB 4.25Å; M286-C296 VanDerWaalsContact CB-SG 3.54Å; M286-C296 VanDerWaalsContact CG-SG 3.54Å; S292-C296 VanDerWaalsContact O-CB 3.31Å; S292-C296 WeakPolarHBondContact O-CB 3.49Å; S292-C296 PolarHBondContact O-N 2.66Å; R293-C296 PolarHBondContact O-N 2.97Å; Q294-C296 VanDerWaalsContact C-N 3.34Å; C296-I300 WeakPolarHBondContact O-CB 2.99Å; C296-I300 WeakPolarHBondContact O-CG1 3.16Å; C296-I300 PolarHBondContact O-N 2.8Å; C296-Y329 VanDerWaalsContact CA-OH 3.3Å; C296-Y329 WeakPolarHBondContact CA-OH 3.31Å; C296-Y329 HydrophobicContact CB-CE1 4.03Å; C296-Y329 WeakPolarHBondContact CB-OH 3.3Å; C296-Y329 PolarHBondContact N-OH 3.16Å
297H85.1Confident87.6Confident92 Ų9270.9 Ų70.943%0.42637%0.371SS..Hα-helixtrans-61.4-45.8179.1178.5-82.2000111.1I283 R293 Q294 I300 R301I283-H297 HydrophobicContact CD1-CB 4.04Å; R293-H297 WeakPolarHBondContact O-CB 3.28Å; R293-H297 PolarHBondContact O-N 2.91Å; Q294-H297 PolarHBondContact O-N 3.26Å; H297-I300 PolarHBondContact O-N 3.32Å; H297-R301 WeakPolarHBondContact O-CB 3.23Å; H297-R301 PolarHBondContact O-N 3.18Å
298E87.9Confident87.1Confident83 Ų8369 Ų6939%0.38836%0.362SS..Hα-helixtrans-65.6-42.9-179.3-177.656.7-163.500112.3Q294 R301 V302Q294-E298 PolarHBondContact O-N 3.19Å; Q294-E298 VanDerWaalsContact O-N 3.15Å; E298-R301 WeakPolarHBondContact O-CB 3.22Å; E298-R301 PolarHBondContact O-N 3.26Å; E298-R301 IonicContact OE1-CZ 3.8Å; E298-R301 IonicContact OE1-NE 3.62Å; E298-R301 PolarHBondContact OE1-NE 3.29Å; E298-R301 IonicContact OE1-NH2 3.15Å; E298-R301 PolarHBondContact OE1-NH2 3.36Å; E298-R301 IonicContact OE2-CZ 3.75Å; E298-R301 IonicContact OE2-NE 3.67Å; E298-R301 PolarHBondContact OE2-NE 3.23Å; E298-R301 IonicContact OE2-NH2 3.15Å; E298-V302 WeakPolarHBondContact O-CG2 3.35Å; E298-V302 PolarHBondContact O-N 3.49Å; E298-V302 VanDerWaalsContact O-N 3.12Å
299K89.4Confident87Confident75 Ų7562.2 Ų62.233%0.32634%0.339SS..Hα-helixtrans-61.2-46174.9-83.5179.1155.7-83.60112.6D295 R301 V302 L303 D327 Y329 F330D295-K299 PolarHBondContact O-N 3.26Å; D295-K299 VanDerWaalsContact O-N 3.13Å; K299-R301 VanDerWaalsContact C-N 3.31Å; K299-R301 PolarHBondContact O-N 3.44Å; K299-V302 PolarHBondContact O-N 3.36Å; K299-L303 WeakPolarHBondContact O-CG 3.1Å; K299-L303 PolarHBondContact O-N 3.32Å; K299-L303 VanDerWaalsContact O-N 3.12Å; K299-D327 IonicContact NZ-OD1 2.81Å; K299-D327 PolarHBondContact NZ-OD1 3.47Å; K299-D327 IonicContact NZ-OD2 3.03Å; K299-D327 PolarHBondContact NZ-OD2 3.06Å; K299-Y329 HydrophobicContact CD-CD1 3.36Å; K299-Y329 HydrophobicContact CD-CD2 3.49Å; K299-Y329 VanDerWaalsContact CD-CD2 3.49Å; K299-Y329 HydrophobicContact CD-CE1 3.78Å; K299-Y329 HydrophobicContact CD-CE2 3.88Å; K299-Y329 HydrophobicContact CD-CG 3.21Å; K299-Y329 VanDerWaalsContact CE-CG 3.47Å; K299-F330 HydrophobicContact CB-CE2 4.46Å; K299-F330 HydrophobicContact CB-CZ 4.01Å
300I85.9Confident86.5Confident5 Ų560.6 Ų60.63%0.02632%0.324CS..Hα-helixtrans-63.9-37.6177-72.9173.2000111.4T279 I282 I283 C296 H297 V302 L303 S304 F330T279-I300 HydrophobicContact CG2-CG2 3.54Å; I282-I300 HydrophobicContact CB-CD1 3.88Å; I282-I300 HydrophobicContact CG2-CD1 3.53Å; I282-I300 HydrophobicContact CG2-CG1 4.45Å; I283-I300 HydrophobicContact CD1-CD1 4.43Å; I283-I300 HydrophobicContact CG1-CD1 3.56Å; C296-I300 WeakPolarHBondContact O-CB 2.99Å; C296-I300 WeakPolarHBondContact O-CG1 3.16Å; C296-I300 PolarHBondContact O-N 2.8Å; H297-I300 PolarHBondContact O-N 3.32Å; I300-V302 PolarHBondContact O-N 2.6Å; I300-L303 PolarHBondContact O-N 3.3Å; I300-S304 VanDerWaalsContact O-CB 3.24Å; I300-S304 WeakPolarHBondContact O-CB 3.27Å; I300-S304 PolarHBondContact O-N 3.06Å; I300-S304 PolarHBondContact O-OG 3.29Å; I300-F330 HydrophobicContact CD1-CE1 3.93Å; I300-F330 HydrophobicContact CD1-CZ 4.37Å; I300-F330 HydrophobicContact CG1-CE1 3.66Å; I300-F330 HydrophobicContact CG1-CZ 3.59Å
301R86Confident85.8Confident95 Ų9559.3 Ų59.336%0.35830%0.301SS..Hα-helixtrans-58.8-47.5176.9-172.9-17373.276.7-2.3111.1H297 E298 K299 S304 Q305H297-R301 WeakPolarHBondContact O-CB 3.23Å; H297-R301 PolarHBondContact O-N 3.18Å; E298-R301 WeakPolarHBondContact O-CB 3.22Å; E298-R301 PolarHBondContact O-N 3.26Å; E298-R301 IonicContact OE1-CZ 3.8Å; E298-R301 IonicContact OE1-NE 3.62Å; E298-R301 PolarHBondContact OE1-NE 3.29Å; E298-R301 IonicContact OE1-NH2 3.15Å; E298-R301 PolarHBondContact OE1-NH2 3.36Å; E298-R301 IonicContact OE2-CZ 3.75Å; E298-R301 IonicContact OE2-NE 3.67Å; E298-R301 PolarHBondContact OE2-NE 3.23Å; E298-R301 IonicContact OE2-NH2 3.15Å; K299-R301 VanDerWaalsContact C-N 3.31Å; K299-R301 PolarHBondContact O-N 3.44Å; R301-S304 PolarHBondContact O-N 3.45Å; R301-Q305 VanDerWaalsContact NH1-OE1 3.09Å; R301-Q305 WeakPolarHBondContact O-CG 3.4Å; R301-Q305 PolarHBondContact O-N 3.36Å
302V89.4Confident85.1Confident54 Ų5465.5 Ų65.533%0.32732%0.321SS..Hα-helixtrans-62.6-49.2178.7173.90000111.1E298 K299 I300 S304 Q305 Q306E298-V302 WeakPolarHBondContact O-CG2 3.35Å; E298-V302 PolarHBondContact O-N 3.49Å; E298-V302 VanDerWaalsContact O-N 3.12Å; K299-V302 PolarHBondContact O-N 3.36Å; I300-V302 PolarHBondContact O-N 2.6Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 2.84Å; V302-Q305 PolarHBondContact O-N 3.37Å; V302-Q306 WeakPolarHBondContact O-CG 3.11Å; V302-Q306 PolarHBondContact O-N 3.23Å; V302-Q306 VanDerWaalsContact O-N 3.09Å
303L88Confident84.8Confident18 Ų1870.5 Ų70.59%0.09434%0.338CS..Hα-helixtrans-62.9-38.9178.9-63.3-176.1000112.1K299 I300 Q305 Q306 A307 L320 R323 I324 D327 F330K299-L303 WeakPolarHBondContact O-CG 3.1Å; K299-L303 PolarHBondContact O-N 3.32Å; K299-L303 VanDerWaalsContact O-N 3.12Å; I300-L303 PolarHBondContact O-N 3.3Å; L303-Q305 PolarHBondContact O-N 3.01Å; L303-Q306 PolarHBondContact O-N 2.97Å; L303-A307 PolarHBondContact O-N 3.34Å; L303-L320 HydrophobicContact CB-CD1 3.74Å; L303-R323 HydrophobicContact CD1-CB 4.31Å; L303-R323 HydrophobicContact CD2-CB 4.17Å; L303-I324 HydrophobicContact CD1-CG1 3.85Å; L303-D327 HydrophobicContact CD1-CB 4.49Å; L303-F330 HydrophobicContact CD1-CE2 3.73Å; L303-F330 HydrophobicContact CD1-CZ 4.4Å
304S82.9Confident84.8Confident23 Ų2369.8 Ų69.816%0.16134%0.342CS..Hα-helixtrans-65.3-37.4177.2-58.50000112.2I300 R301 V302 A308I300-S304 VanDerWaalsContact O-CB 3.24Å; I300-S304 WeakPolarHBondContact O-CB 3.27Å; I300-S304 PolarHBondContact O-N 3.06Å; I300-S304 PolarHBondContact O-OG 3.29Å; R301-S304 PolarHBondContact O-N 3.45Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 2.84Å; S304-A308 WeakPolarHBondContact O-CB 3.49Å; S304-A308 PolarHBondContact O-N 3.5Å
305Q85.5Confident84.2Confident114 Ų11466.1 Ų66.153%0.53334%0.343SS..Hα-helixtrans-67.5-39.1175.3-74.9179.8-16.300112R301 V302 L303 S309R301-Q305 VanDerWaalsContact NH1-OE1 3.09Å; R301-Q305 WeakPolarHBondContact O-CG 3.4Å; R301-Q305 PolarHBondContact O-N 3.36Å; V302-Q305 PolarHBondContact O-N 3.37Å; L303-Q305 PolarHBondContact O-N 3.01Å; Q305-S309 PolarHBondContact O-N 3.02Å
306Q88.7Confident83.6Confident80 Ų8063.2 Ų63.237%0.37434%0.335SS..Hα-helixtrans-64.3-50.9175.5-67.4170.2-4.600111.2V302 L303 A308 S309 V310V302-Q306 WeakPolarHBondContact O-CG 3.11Å; V302-Q306 PolarHBondContact O-N 3.23Å; V302-Q306 VanDerWaalsContact O-N 3.09Å; L303-Q306 PolarHBondContact O-N 2.97Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.44Å; Q306-S309 WeakPolarHBondContact O-CA 3.47Å; Q306-S309 VanDerWaalsContact O-CB 3.29Å; Q306-S309 WeakPolarHBondContact O-CB 3.47Å; Q306-S309 PolarHBondContact O-N 3.42Å; Q306-V310 PolarHBondContact O-N 3.02Å
307A81.2Confident82.9Confident0 Ų070.4 Ų70.40%037%0.373CS..Hα-helixtrans-60.9-39.5177.200000112.2L303 S309 V310 V311 N318 D319 L320L303-A307 PolarHBondContact O-N 3.34Å; A307-S309 VanDerWaalsContact C-N 3.28Å; A307-S309 PolarHBondContact O-N 3Å; A307-V310 PolarHBondContact O-N 3.44Å; A307-V311 WeakPolarHBondContact O-CG2 3.08Å; A307-V311 PolarHBondContact O-N 3.27Å; A307-N318 WeakPolarHBondContact CB-OD1 3.48Å; A307-D319 VanDerWaalsContact CA-OD1 3.3Å; A307-D319 WeakPolarHBondContact CA-OD1 3.46Å; A307-D319 VanDerWaalsContact CB-OD1 3.28Å; A307-D319 WeakPolarHBondContact CB-OD1 3.46Å; A307-L320 HydrophobicContact CB-CB 3.83Å
308A79.3Confident82.6Confident23 Ų2367.8 Ų67.819%0.1936%0.362CS..Hα-helixtrans-63.9-32.4173.400000113.1F276 S304 Q306 K312F276-A308 HydrophobicContact CE1-CB 4.31Å; F276-A308 HydrophobicContact CZ-CB 4.02Å; S304-A308 WeakPolarHBondContact O-CB 3.49Å; S304-A308 PolarHBondContact O-N 3.5Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.44Å; A308-K312 VanDerWaalsContact O-CB 3.28Å; A308-K312 WeakPolarHBondContact O-CB 3.1Å; A308-K312 VanDerWaalsContact O-CG 3.31Å; A308-K312 WeakPolarHBondContact O-CG 3.34Å; A308-K312 PolarHBondContact O-N 3.39Å
309S85.9Confident82.3Confident51 Ų5165.8 Ų65.836%0.35735%0.354SS..Hα-helixtrans-67.7-44.4173.5-168.90000111.2Q305 Q306 A307 V311 K312 Q313Q305-S309 PolarHBondContact O-N 3.02Å; Q306-S309 WeakPolarHBondContact O-CA 3.47Å; Q306-S309 VanDerWaalsContact O-CB 3.29Å; Q306-S309 WeakPolarHBondContact O-CB 3.47Å; Q306-S309 PolarHBondContact O-N 3.42Å; A307-S309 VanDerWaalsContact C-N 3.28Å; A307-S309 PolarHBondContact O-N 3Å; S309-V311 VanDerWaalsContact C-N 3.33Å; S309-V311 PolarHBondContact O-N 3.32Å; S309-K312 PolarHBondContact O-N 2.9Å; S309-Q313 WeakPolarHBondContact O-CA 3.27Å; S309-Q313 VanDerWaalsContact O-CB 3.23Å; S309-Q313 WeakPolarHBondContact O-CB 3.48Å; S309-Q313 PolarHBondContact O-N 3.19Å
310V80.3Confident82.1Confident17 Ų1762.7 Ų62.710%0.10334%0.341CS..Iπ-helixtrans-55.8-49.3174.9174.60000110.4Q306 A307 K312 E314 G315 G316Q306-V310 PolarHBondContact O-N 3.02Å; A307-V310 PolarHBondContact O-N 3.44Å; V310-K312 PolarHBondContact O-N 3.07Å; V310-E314 CarbonylContact O-C 3.46Å; V310-E314 WeakPolarHBondContact O-CA 3.39Å; V310-E314 VanDerWaalsContact O-CB 3.29Å; V310-E314 WeakPolarHBondContact O-CB 3.37Å; V310-E314 PolarHBondContact O-N 3.41Å; V310-E314 VanDerWaalsContact O-N 3.11Å; V310-G315 PolarHBondContact O-N 3.47Å; V310-G316 PolarHBondContact O-N 3.32Å
311V74.6Confident81.9Confident47 Ų4764.5 Ų64.529%0.28535%0.351SS..Iπ-helixtrans-63-46179.2175.50000112.1F276 A307 S309 G316 N318F276-V311 HydrophobicContact CZ-CG2 4.37Å; A307-V311 WeakPolarHBondContact O-CG2 3.08Å; A307-V311 PolarHBondContact O-N 3.27Å; S309-V311 VanDerWaalsContact C-N 3.33Å; S309-V311 PolarHBondContact O-N 3.32Å; V311-G316 WeakPolarHBondContact CA-O 3.08Å; V311-N318 HydrophobicContact CG2-CB 3.84Å
312K74.4Confident81.9Confident156 Ų15664.8 Ų64.868%0.67836%0.356SS*.Iπ-helixtrans-86.9-35.5-170.1-70.1-179.2178.6-178.70114.8A308 S309 V310A308-K312 VanDerWaalsContact O-CB 3.28Å; A308-K312 WeakPolarHBondContact O-CB 3.1Å; A308-K312 VanDerWaalsContact O-CG 3.31Å; A308-K312 WeakPolarHBondContact O-CG 3.34Å; A308-K312 PolarHBondContact O-N 3.39Å; S309-K312 PolarHBondContact O-N 2.9Å; V310-K312 PolarHBondContact O-N 3.07Å
313Q85.2Confident81.9Confident154 Ų15465.5 Ų65.572%0.7235%0.353SS*.Iπ-helixtrans-99.4-32.5-174-57.1-61.4-35.700111.6S309S309-Q313 WeakPolarHBondContact O-CA 3.27Å; S309-Q313 VanDerWaalsContact O-CB 3.23Å; S309-Q313 WeakPolarHBondContact O-CB 3.48Å; S309-Q313 PolarHBondContact O-N 3.19Å
314E86.8Confident81.9Confident140 Ų14064.7 Ų64.765%0.65435%0.349SS*.Iπ-helixtrans-107.1-15-173.4-54.7168.3-153.100112.1V310 G316V310-E314 CarbonylContact O-C 3.46Å; V310-E314 WeakPolarHBondContact O-CA 3.39Å; V310-E314 VanDerWaalsContact O-CB 3.29Å; V310-E314 WeakPolarHBondContact O-CB 3.37Å; V310-E314 PolarHBondContact O-N 3.41Å; V310-E314 VanDerWaalsContact O-N 3.11Å; E314-G316 PolarHBondContact O-N 3.12Å
315G74.4Confident82.1Confident68 Ų6868.1 Ų68.170%0.70136%0.362SS*.  trans69.519.1-178.200000113.5V310V310-G315 PolarHBondContact O-N 3.47Å
316G76.3Confident82.5Confident32 Ų3268.6 Ų68.633%0.3337%0.373SS..  trans-83171.9177.700000113.3V310 V311 E314V310-G316 PolarHBondContact O-N 3.32Å; V311-G316 WeakPolarHBondContact CA-O 3.08Å; E314-G316 PolarHBondContact O-N 3.12Å
317D74.7Confident82.6Confident151 Ų15166.8 Ų66.881%0.80737%0.366SS*.  trans-66.4158.9172.5-66.9-41.5000111.5D319D317-D319 PolarHBondContact O-N 3.15Å
318N76.9Confident83.2Confident37 Ų3770.4 Ų70.420%0.19840%0.396CS..  trans-73.9109.3174-179.1-7.7000110.3P275 F276 A307 V311 L320P275-N318 HydrophobicContact CB-CB 4.44Å; P275-N318 HydrophobicContact CG-CB 3.7Å; P275-N318 PolarHBondContact O-ND2 2.83Å; F276-N318 WeakPolarHBondContact CD1-ND2 3.49Å; F276-N318 WeakPolarHBondContact CE1-ND2 3.13Å; A307-N318 WeakPolarHBondContact CB-OD1 3.48Å; V311-N318 HydrophobicContact CG2-CB 3.84Å; N318-L320 WeakPolarHBondContact OD1-CB 3.14Å; N318-L320 PolarHBondContact OD1-N 3.06Å
319D83.4Confident83.9Confident41 Ų4172 Ų7222%0.21940%0.397CS..  trans-97.219.2-176.269.6-9.8000114.3A307 D317 I321 E322 R323A307-D319 VanDerWaalsContact CA-OD1 3.3Å; A307-D319 WeakPolarHBondContact CA-OD1 3.46Å; A307-D319 VanDerWaalsContact CB-OD1 3.28Å; A307-D319 WeakPolarHBondContact CB-OD1 3.46Å; D317-D319 PolarHBondContact O-N 3.15Å; D319-I321 VanDerWaalsContact C-N 3.29Å; D319-I321 PolarHBondContact O-N 3.33Å; D319-E322 WeakPolarHBondContact CA-OE2 3.11Å; D319-E322 PolarHBondContact O-N 3.46Å; D319-R323 VanDerWaalsContact O-CG 3.29Å; D319-R323 WeakPolarHBondContact O-CG 3.32Å; D319-R323 PolarHBondContact O-N 2.84Å; D319-R323 IonicContact OD1-CZ 3.54Å; D319-R323 IonicContact OD1-NE 2.66Å; D319-R323 PolarHBondContact OD1-NE 3.25Å; D319-R323 IonicContact OD1-NH2 2.82Å; D319-R323 IonicContact OD2-CZ 3.38Å; D319-R323 VanDerWaalsContact OD2-CZ 3.24Å; D319-R323 IonicContact OD2-NE 3.87Å; D319-R323 PolarHBondContact OD2-NE 3.31Å; D319-R323 IonicContact OD2-NH2 3.12Å; D319-R323 PolarHBondContact OD2-NH2 2.94Å
320L83.5Confident84.2Confident10 Ų1069.6 Ų69.65%0.05238%0.38CS..Hα-helixtrans-60.4-36.7-176.3178.158.2000112.7T279 L303 A307 N318 I324T279-L320 HydrophobicContact CG2-CD2 4.14Å; L303-L320 HydrophobicContact CB-CD1 3.74Å; A307-L320 HydrophobicContact CB-CB 3.83Å; N318-L320 WeakPolarHBondContact OD1-CB 3.14Å; N318-L320 PolarHBondContact OD1-N 3.06Å; L320-I324 HydrophobicContact CD1-CD1 4.03Å; L320-I324 HydrophobicContact CD1-CG1 4.34Å; L320-I324 HydrophobicContact CG-CD1 4.03Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.32Å; L320-I324 PolarHBondContact O-N 2.88Å; L320-I324 VanDerWaalsContact O-N 3.07Å
321I82.3Confident84.8Confident43 Ų4371.8 Ų71.822%0.22140%0.396CS..Hα-helixtrans-73.5-41.2-177-58.5-49.3000110.4D319 R323 I324 Q325 L341D319-I321 VanDerWaalsContact C-N 3.29Å; D319-I321 PolarHBondContact O-N 3.33Å; I321-R323 VanDerWaalsContact C-N 3.3Å; I321-R323 PolarHBondContact O-N 3.36Å; I321-I324 PolarHBondContact O-N 3.41Å; I321-I324 VanDerWaalsContact O-N 3.12Å; I321-Q325 HydrophobicContact CG2-CG 4.47Å; I321-Q325 WeakPolarHBondContact O-CG 2.98Å; I321-Q325 PolarHBondContact O-N 3.02Å; I321-L341 HydrophobicContact CD1-CD1 3.61Å; I321-L341 HydrophobicContact CD1-CD2 3.85Å; I321-L341 HydrophobicContact CD1-CG 4.37Å; I321-L341 HydrophobicContact CG1-CD1 3.86Å; I321-L341 HydrophobicContact CG2-CD1 4Å
322E86.3Confident85.7Confident102 Ų10272.8 Ų72.848%0.47740%0.404SS..Hα-helixtrans-58.6-44.8174.4-64.677.2-177.800109.9D319 I324 Q325 V326D319-E322 WeakPolarHBondContact CA-OE2 3.11Å; D319-E322 PolarHBondContact O-N 3.46Å; E322-I324 VanDerWaalsContact C-N 3.35Å; E322-I324 PolarHBondContact O-N 3.47Å; E322-Q325 PolarHBondContact O-N 3.29Å; E322-V326 WeakPolarHBondContact O-CG2 3.36Å; E322-V326 PolarHBondContact O-N 3.41Å; E322-V326 VanDerWaalsContact O-N 3.09Å
323R89.3Confident86.5Confident69 Ų6965.3 Ų65.326%0.2637%0.371SS..Hα-helixtrans-60.6-41.3174.5-71.9173.7-172.7-79.5-14.8112.7L303 D319 I321 V326 D327L303-R323 HydrophobicContact CD1-CB 4.31Å; L303-R323 HydrophobicContact CD2-CB 4.17Å; D319-R323 VanDerWaalsContact O-CG 3.29Å; D319-R323 WeakPolarHBondContact O-CG 3.32Å; D319-R323 PolarHBondContact O-N 2.84Å; D319-R323 IonicContact OD1-CZ 3.54Å; D319-R323 IonicContact OD1-NE 2.66Å; D319-R323 PolarHBondContact OD1-NE 3.25Å; D319-R323 IonicContact OD1-NH2 2.82Å; D319-R323 IonicContact OD2-CZ 3.38Å; D319-R323 VanDerWaalsContact OD2-CZ 3.24Å; D319-R323 IonicContact OD2-NE 3.87Å; D319-R323 PolarHBondContact OD2-NE 3.31Å; D319-R323 IonicContact OD2-NH2 3.12Å; D319-R323 PolarHBondContact OD2-NH2 2.94Å; I321-R323 VanDerWaalsContact C-N 3.3Å; I321-R323 PolarHBondContact O-N 3.36Å; R323-V326 PolarHBondContact O-N 3.23Å; R323-D327 PolarHBondContact O-N 2.95Å; R323-D327 VanDerWaalsContact O-N 3.1Å
324I87.5Confident86.7Confident0 Ų061 Ų610%035%0.351CS..Hα-helixtrans-69-37178.1-71.4170.9000111.5I282 L303 L320 I321 E322 V326 F330 H334 L337I282-I324 HydrophobicContact CD1-CD1 3.65Å; L303-I324 HydrophobicContact CD1-CG1 3.85Å; L320-I324 HydrophobicContact CD1-CD1 4.03Å; L320-I324 HydrophobicContact CD1-CG1 4.34Å; L320-I324 HydrophobicContact CG-CD1 4.03Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.32Å; L320-I324 PolarHBondContact O-N 2.88Å; L320-I324 VanDerWaalsContact O-N 3.07Å; I321-I324 PolarHBondContact O-N 3.41Å; I321-I324 VanDerWaalsContact O-N 3.12Å; E322-I324 VanDerWaalsContact C-N 3.35Å; E322-I324 PolarHBondContact O-N 3.47Å; I324-V326 VanDerWaalsContact C-N 3.3Å; I324-V326 PolarHBondContact O-N 3.06Å; I324-F330 HydrophobicContact CB-CD2 4.42Å; I324-F330 HydrophobicContact CG1-CD2 4.48Å; I324-F330 HydrophobicContact CG1-CE2 4.38Å; I324-F330 HydrophobicContact CG2-CB 3.88Å; I324-F330 HydrophobicContact CG2-CD1 4.25Å; I324-F330 HydrophobicContact CG2-CD2 3.97Å; I324-F330 HydrophobicContact CG2-CG 3.77Å; I324-H334 PolarHBondContact O-NE2 3.13Å; I324-L337 HydrophobicContact CG2-CD1 4.09Å; I324-L337 HydrophobicContact CG2-CD2 3.96Å
325Q87.7Confident86.8Confident95 Ų9559.6 Ų59.644%0.44436%0.357SS..Hα-helixtrans-66.4-31.7176.3-74.6175.1-13.700112.5I321 E322 H334 L337I321-Q325 HydrophobicContact CG2-CG 4.47Å; I321-Q325 WeakPolarHBondContact O-CG 2.98Å; I321-Q325 PolarHBondContact O-N 3.02Å; E322-Q325 PolarHBondContact O-N 3.29Å; Q325-H334 PolarHBondContact O-CE1 3.03Å; Q325-H334 PolarHBondContact O-NE2 3.02Å; Q325-L337 HydrophobicContact CG-CD1 3.65Å
326V93Very high87.3Confident125 Ų12560.1 Ų60.176%0.75834%0.341SS*.Hα-helixtrans-85.2-28.7179.8177.80000112.7E322 R323 I324 A328E322-V326 WeakPolarHBondContact O-CG2 3.36Å; E322-V326 PolarHBondContact O-N 3.41Å; E322-V326 VanDerWaalsContact O-N 3.09Å; R323-V326 PolarHBondContact O-N 3.23Å; I324-V326 VanDerWaalsContact C-N 3.3Å; I324-V326 PolarHBondContact O-N 3.06Å; V326-A328 PolarHBondContact O-N 3.23Å
327D92.1Very high87.5Confident42 Ų4258.6 Ų58.623%0.22533%0.325CS..  trans-75.8112.1177.4-174.8-20.6000111.1K299 L303 R323 Y329 F330K299-D327 IonicContact NZ-OD1 2.81Å; K299-D327 PolarHBondContact NZ-OD1 3.47Å; K299-D327 IonicContact NZ-OD2 3.03Å; K299-D327 PolarHBondContact NZ-OD2 3.06Å; L303-D327 HydrophobicContact CD1-CB 4.49Å; R323-D327 PolarHBondContact O-N 2.95Å; R323-D327 VanDerWaalsContact O-N 3.1Å; D327-Y329 PolarHBondContact O-N 3.42Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.4Å; D327-Y329 PolarHBondContact OD1-N 3.26Å; D327-F330 HydrophobicContact CB-CD2 3.9Å; D327-F330 HydrophobicContact CB-CE2 4.18Å; D327-F330 PolarHBondContact O-N 2.94Å
328A93.3Very high87.5Confident76 Ų7657.9 Ų57.963%0.62832%0.321SS*.G310 helixtrans-58.6-17.5-179.500000114.2V326 F330 S331V326-A328 PolarHBondContact O-N 3.23Å; A328-F330 PolarHBondContact O-N 3.06Å; A328-S331 WeakPolarHBondContact O-CB 3.4Å; A328-S331 PolarHBondContact O-N 3.25Å; A328-S331 PolarHBondContact O-OG 2.83Å
329Y93.4Very high87.5Confident56 Ų5662.7 Ų62.722%0.2234%0.342CS..G310 helixtrans-59-33.8171.5178.4-95.8000112.3M286 S292 D295 C296 K299 D327M286-Y329 HydrophobicContact CE-CD1 4.05Å; M286-Y329 HydrophobicContact CE-CE1 3.71Å; M286-Y329 WeakPolarHBondContact CE-O 3.31Å; S292-Y329 PolarHBondContact O-OH 3.18Å; D295-Y329 HydrophobicContact CB-CE2 4.41Å; C296-Y329 VanDerWaalsContact CA-OH 3.3Å; C296-Y329 WeakPolarHBondContact CA-OH 3.31Å; C296-Y329 HydrophobicContact CB-CE1 4.03Å; C296-Y329 WeakPolarHBondContact CB-OH 3.3Å; C296-Y329 PolarHBondContact N-OH 3.16Å; K299-Y329 HydrophobicContact CD-CD1 3.36Å; K299-Y329 HydrophobicContact CD-CD2 3.49Å; K299-Y329 VanDerWaalsContact CD-CD2 3.49Å; K299-Y329 HydrophobicContact CD-CE1 3.78Å; K299-Y329 HydrophobicContact CD-CE2 3.88Å; K299-Y329 HydrophobicContact CD-CG 3.21Å; K299-Y329 VanDerWaalsContact CE-CG 3.47Å; D327-Y329 PolarHBondContact O-N 3.42Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.4Å; D327-Y329 PolarHBondContact OD1-N 3.26Å
330F92.2Very high87.2Confident0 Ų062 Ų620%034%0.338CS..G310 helixtrans-91.35.2-177.8-58.3-79.6000113.8I282 M286 K299 I300 L303 I324 D327 A328 P332 I333 H334I282-F330 HydrophobicContact CG2-CD1 4.2Å; I282-F330 HydrophobicContact CG2-CE1 4.22Å; M286-F330 HydrophobicContact CG-CD1 3.95Å; M286-F330 HydrophobicContact CG-CE1 4.37Å; M286-F330 HydrophobicContact SD-CD1 4.13Å; K299-F330 HydrophobicContact CB-CE2 4.46Å; K299-F330 HydrophobicContact CB-CZ 4.01Å; I300-F330 HydrophobicContact CD1-CE1 3.93Å; I300-F330 HydrophobicContact CD1-CZ 4.37Å; I300-F330 HydrophobicContact CG1-CE1 3.66Å; I300-F330 HydrophobicContact CG1-CZ 3.59Å; L303-F330 HydrophobicContact CD1-CE2 3.73Å; L303-F330 HydrophobicContact CD1-CZ 4.4Å; I324-F330 HydrophobicContact CB-CD2 4.42Å; I324-F330 HydrophobicContact CG1-CD2 4.48Å; I324-F330 HydrophobicContact CG1-CE2 4.38Å; I324-F330 HydrophobicContact CG2-CB 3.88Å; I324-F330 HydrophobicContact CG2-CD1 4.25Å; I324-F330 HydrophobicContact CG2-CD2 3.97Å; I324-F330 HydrophobicContact CG2-CG 3.77Å; D327-F330 HydrophobicContact CB-CD2 3.9Å; D327-F330 HydrophobicContact CB-CE2 4.18Å; D327-F330 PolarHBondContact O-N 2.94Å; A328-F330 PolarHBondContact O-N 3.06Å; F330-P332 VanDerWaalsContact C-N 3.25Å; F330-P332 VanDerWaalsContact O-N 3.09Å; F330-I333 HydrophobicContact CB-CD1 4.36Å; F330-I333 HydrophobicContact CB-CG1 4.08Å; F330-I333 HydrophobicContact CD1-CD1 4.06Å; F330-I333 WeakPolarHBondContact O-CG1 3.43Å; F330-I333 PolarHBondContact O-N 2.71Å; F330-H334 VanDerWaalsContact C-CD2 3.42Å; F330-H334 PolarHBondContact O-CD2 3.1Å; F330-H334 PolarHBondContact O-N 3.45Å
331S92.9Very high86.7Confident64 Ų6463.6 Ų63.645%0.44835%0.347SS..G310 helixtrans-48-37.5178-64.70000115.2A328 I333 H334A328-S331 WeakPolarHBondContact O-CB 3.4Å; A328-S331 PolarHBondContact O-N 3.25Å; A328-S331 PolarHBondContact O-OG 2.83Å; S331-I333 PolarHBondContact O-N 2.82Å; S331-I333 VanDerWaalsContact O-N 3.16Å; S331-H334 PolarHBondContact O-N 3.42Å
332P94.3Very high86.4Confident67 Ų6764.3 Ų64.344%0.43535%0.351SS..G310 helixtrans-62.3-20.6177.8-25.136.1000115.3M286 A289 F330M286-P332 HydrophobicContact CE-CG 4.36Å; A289-P332 HydrophobicContact CB-CB 3.82Å; F330-P332 VanDerWaalsContact C-N 3.25Å; F330-P332 VanDerWaalsContact O-N 3.09Å
333I90.3Very high85.7Confident0 Ų062.5 Ų62.50%035%0.348CS..G310 helixtrans-116.3-0.8-176.764.3159.8000113.5I282 A285 M286 A289 F330 S331 S335 Q336 L337 L340I282-I333 HydrophobicContact CB-CD1 4.45Å; I282-I333 HydrophobicContact CG2-CD1 3.45Å; I282-I333 VanDerWaalsContact CG2-CD1 3.45Å; A285-I333 HydrophobicContact CB-CB 4.46Å; A285-I333 HydrophobicContact CB-CG2 3.75Å; M286-I333 HydrophobicContact CG-CD1 3.84Å; M286-I333 HydrophobicContact CG-CG1 4.24Å; M286-I333 HydrophobicContact CG-CG2 4.19Å; M286-I333 HydrophobicContact SD-CB 4.23Å; M286-I333 HydrophobicContact SD-CD1 3.95Å; M286-I333 HydrophobicContact SD-CG1 3.66Å; M286-I333 HydrophobicContact SD-CG2 3.63Å; A289-I333 HydrophobicContact CB-CG2 4.49Å; F330-I333 HydrophobicContact CB-CD1 4.36Å; F330-I333 HydrophobicContact CB-CG1 4.08Å; F330-I333 HydrophobicContact CD1-CD1 4.06Å; F330-I333 WeakPolarHBondContact O-CG1 3.43Å; F330-I333 PolarHBondContact O-N 2.71Å; S331-I333 PolarHBondContact O-N 2.82Å; S331-I333 VanDerWaalsContact O-N 3.16Å; I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S335 PolarHBondContact O-N 3.38Å; I333-Q336 CarbonylContact O-C 3.46Å; I333-Q336 WeakPolarHBondContact O-CA 3.35Å; I333-Q336 WeakPolarHBondContact O-CB 3.43Å; I333-Q336 PolarHBondContact O-N 3.48Å; I333-L337 HydrophobicContact CD1-CD2 4.01Å; I333-L337 HydrophobicContact CG1-CD2 4.46Å; I333-L337 PolarHBondContact O-N 3.15Å; I333-L337 VanDerWaalsContact O-N 3.1Å; I333-L340 HydrophobicContact CB-CD1 4.4Å; I333-L340 HydrophobicContact CD1-CD1 4.48Å
334H90.1Very high85.1Confident62 Ų6262.3 Ų62.329%0.28736%0.358SS..G310 helixtrans-53.7-43.8-178.1-74.1174.7000112.5I324 Q325 F330 S331 Q336 L337I324-H334 PolarHBondContact O-NE2 3.13Å; Q325-H334 PolarHBondContact O-CE1 3.03Å; Q325-H334 PolarHBondContact O-NE2 3.02Å; F330-H334 VanDerWaalsContact C-CD2 3.42Å; F330-H334 PolarHBondContact O-CD2 3.1Å; F330-H334 PolarHBondContact O-N 3.45Å; S331-H334 PolarHBondContact O-N 3.42Å; H334-Q336 PolarHBondContact O-N 2.9Å; H334-L337 PolarHBondContact O-N 3.33Å
335S89.3Confident84.8Confident112 Ų11265.5 Ų65.578%0.78338%0.38SS*.G310 helixtrans-69.2-12.2176.358.90000114.4I333I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S335 PolarHBondContact O-N 3.38Å
336Q84.9Confident84.3Confident78 Ų7862.8 Ų62.836%0.36437%0.367SS..G310 helixtrans-102.4-11.5-179.9-57.7176.338.400112.2I333 H334 D338 H339 L340I333-Q336 CarbonylContact O-C 3.46Å; I333-Q336 WeakPolarHBondContact O-CA 3.35Å; I333-Q336 WeakPolarHBondContact O-CB 3.43Å; I333-Q336 PolarHBondContact O-N 3.48Å; H334-Q336 PolarHBondContact O-N 2.9Å; Q336-D338 PolarHBondContact O-N 3.42Å; Q336-H339 PolarHBondContact O-N 2.99Å; Q336-L340 HydrophobicContact CB-CD1 3.84Å; Q336-L340 HydrophobicContact CB-CG 4.14Å; Q336-L340 WeakPolarHBondContact O-CB 3.12Å; Q336-L340 VanDerWaalsContact O-CG 3.27Å; Q336-L340 WeakPolarHBondContact O-CG 2.97Å; Q336-L340 PolarHBondContact O-N 3.49Å
337L79.7Confident83.8Confident1 Ų157.9 Ų57.91%0.00534%0.337CS..Hα-helixtrans-56-46.8-172.6-73.6174.2000112.3I324 Q325 I333 H334 H339 L340 L341I324-L337 HydrophobicContact CG2-CD1 4.09Å; I324-L337 HydrophobicContact CG2-CD2 3.96Å; Q325-L337 HydrophobicContact CG-CD1 3.65Å; I333-L337 HydrophobicContact CD1-CD2 4.01Å; I333-L337 HydrophobicContact CG1-CD2 4.46Å; I333-L337 PolarHBondContact O-N 3.15Å; I333-L337 VanDerWaalsContact O-N 3.1Å; H334-L337 PolarHBondContact O-N 3.33Å; L337-H339 PolarHBondContact O-N 2.71Å; L337-L340 PolarHBondContact O-N 2.84Å; L337-L340 VanDerWaalsContact O-N 3.15Å; L337-L341 WeakPolarHBondContact O-CB 3.3Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.01Å
338D75.4Confident83.8Confident136 Ų13658.8 Ų58.873%0.72736%0.356SS*.Hα-helixtrans-58.7-38.2179.1-65-23.6000112.4Q336 D342Q336-D338 PolarHBondContact O-N 3.42Å; D338-D342 PolarHBondContact O-N 3.02Å
339H77.1Confident84Confident138 Ų13862.9 Ų62.964%0.63936%0.355SS*.Hα-helixtrans-75.7-39.5177.2-176.254.1000112.4Q336 L337 L341 D342Q336-H339 PolarHBondContact O-N 2.99Å; L337-H339 PolarHBondContact O-N 2.71Å; H339-L341 PolarHBondContact O-N 3.43Å; H339-D342 WeakPolarHBondContact O-CB 3.15Å; H339-D342 PolarHBondContact O-N 3.42Å
340L76.3Confident84Confident25 Ų2560.3 Ų60.313%0.13135%0.345CS..Hα-helixtrans-67.2-22.9178.2-69.9169.7000112.6A285 I333 Q336 L337 F346A285-L340 HydrophobicContact CB-CD1 3.38Å; A285-L340 HydrophobicContact CB-CD2 3.8Å; A285-L340 HydrophobicContact CB-CG 4.24Å; I333-L340 HydrophobicContact CB-CD1 4.4Å; I333-L340 HydrophobicContact CD1-CD1 4.48Å; Q336-L340 HydrophobicContact CB-CD1 3.84Å; Q336-L340 HydrophobicContact CB-CG 4.14Å; Q336-L340 WeakPolarHBondContact O-CB 3.12Å; Q336-L340 VanDerWaalsContact O-CG 3.27Å; Q336-L340 WeakPolarHBondContact O-CG 2.97Å; Q336-L340 PolarHBondContact O-N 3.49Å; L337-L340 PolarHBondContact O-N 2.84Å; L337-L340 VanDerWaalsContact O-N 3.15Å; L340-F346 WeakPolarHBondContact O-CE2 3.11Å; L340-F346 WeakPolarHBondContact O-CZ 3.48Å
341L73.4Confident84.2Confident45 Ų4561.8 Ų61.824%0.23636%0.356CS..THydrogen-bonded Turntrans-94.2-1177.2-62.6174.4000113.3A278 I321 L337 H339 P343A278-L341 HydrophobicContact CB-CD2 3.22Å; I321-L341 HydrophobicContact CD1-CD1 3.61Å; I321-L341 HydrophobicContact CD1-CD2 3.85Å; I321-L341 HydrophobicContact CD1-CG 4.37Å; I321-L341 HydrophobicContact CG1-CD1 3.86Å; I321-L341 HydrophobicContact CG2-CD1 4Å; L337-L341 WeakPolarHBondContact O-CB 3.3Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.01Å; H339-L341 PolarHBondContact O-N 3.43Å; L341-P343 WeakPolarHBondContact O-CD 3.48Å; L341-P343 VanDerWaalsContact O-N 3.07Å
342D75.9Confident84.4Confident58 Ų5863.2 Ų63.231%0.3136%0.355SS..  trans-60.3111.3178.9175.58.9000110.6D338 H339 S344 S345 F346D338-D342 PolarHBondContact O-N 3.02Å; H339-D342 WeakPolarHBondContact O-CB 3.15Å; H339-D342 PolarHBondContact O-N 3.42Å; D342-S344 PolarHBondContact O-N 3.28Å; D342-S344 WeakPolarHBondContact OD1-CB 3.36Å; D342-S344 PolarHBondContact OD1-N 2.99Å; D342-S344 PolarHBondContact OD1-OG 3.47Å; D342-S344 PolarHBondContact OD2-OG 3.07Å; D342-S345 PolarHBondContact O-N 3.43Å; D342-S345 VanDerWaalsContact O-N 3.14Å; D342-S345 PolarHBondContact O-OG 2.92Å; D342-F346 VanDerWaalsContact O-CD2 3.23Å; D342-F346 WeakPolarHBondContact O-CD2 3.43Å
343P71.1Confident84.6Confident64 Ų6463.6 Ų63.642%0.41635%0.352SS..G310 helixtrans-57.3-25.6-177.3-25.836.5000113.9P153 L165 L341 S345 F346P153-P343 HydrophobicContact CB-CB 3.87Å; P153-P343 HydrophobicContact CG-CB 4.11Å; L165-P343 HydrophobicContact CD1-CB 3.82Å; L341-P343 WeakPolarHBondContact O-CD 3.48Å; L341-P343 VanDerWaalsContact O-N 3.07Å; P343-S345 PolarHBondContact O-N 3.12Å; P343-F346 PolarHBondContact O-N 3.09Å
344S77.4Confident85Confident65 Ų6563.7 Ų63.746%0.45535%0.352SS..G310 helixtrans-60-37-17984.50000111.9D342 F346 T347D342-S344 PolarHBondContact O-N 3.28Å; D342-S344 WeakPolarHBondContact OD1-CB 3.36Å; D342-S344 PolarHBondContact OD1-N 2.99Å; D342-S344 PolarHBondContact OD1-OG 3.47Å; D342-S344 PolarHBondContact OD2-OG 3.07Å; S344-F346 VanDerWaalsContact C-N 3.32Å; S344-F346 PolarHBondContact O-N 3.34Å; S344-T347 PolarHBondContact O-OG1 3.29Å
345S80.6Confident85.5Confident66 Ų6665.9 Ų65.946%0.46236%0.362SS..G310 helixtrans-74.3-17.9-177.371.70000114.2D342 P343D342-S345 PolarHBondContact O-N 3.43Å; D342-S345 VanDerWaalsContact O-N 3.14Å; D342-S345 PolarHBondContact O-OG 2.92Å; P343-S345 PolarHBondContact O-N 3.12Å
346F77.7Confident85.9Confident39 Ų3967.4 Ų67.417%0.17135%0.351CS..G310 helixtrans-94-1.2-176.9-69.6-95000113.9L165 A278 N281 L340 D342 P343 S344 G348L165-F346 HydrophobicContact CB-CB 3.9Å; L165-F346 HydrophobicContact CD1-CB 3.52Å; L165-F346 HydrophobicContact CD1-CD2 4.39Å; L165-F346 HydrophobicContact CD1-CG 4.15Å; L165-F346 HydrophobicContact CG-CB 4.03Å; A278-F346 HydrophobicContact CB-CZ 4.19Å; N281-F346 HydrophobicContact CB-CE1 4.01Å; N281-F346 HydrophobicContact CB-CZ 3.85Å; N281-F346 VanDerWaalsContact CG-CZ 3.46Å; N281-F346 WeakPolarHBondContact ND2-CE1 3.46Å; N281-F346 WeakPolarHBondContact ND2-CZ 3.35Å; L340-F346 WeakPolarHBondContact O-CE2 3.11Å; L340-F346 WeakPolarHBondContact O-CZ 3.48Å; D342-F346 VanDerWaalsContact O-CD2 3.23Å; D342-F346 WeakPolarHBondContact O-CD2 3.43Å; P343-F346 PolarHBondContact O-N 3.09Å; S344-F346 VanDerWaalsContact C-N 3.32Å; S344-F346 PolarHBondContact O-N 3.34Å; F346-G348 VanDerWaalsContact C-N 3.3Å; F346-G348 PolarHBondContact O-N 2.86Å
347T82.2Confident86.6Confident21 Ų2164.7 Ų64.713%0.12934%0.338CS..SBendtrans-85.6-0.2-175.9620000114.1P153 L165 T167 S344 R349 A350P153-T347 HydrophobicContact CB-CG2 3.61Å; P153-T347 HydrophobicContact CG-CG2 3.86Å; L165-T347 HydrophobicContact CB-CG2 4.38Å; T167-T347 HydrophobicContact CG2-CG2 3.77Å; S344-T347 PolarHBondContact O-OG1 3.29Å; T347-R349 PolarHBondContact O-N 3.44Å; T347-A350 WeakPolarHBondContact O-CB 3.26Å; T347-A350 PolarHBondContact O-N 3.01Å; T347-A350 VanDerWaalsContact O-N 3.11Å
348G92.9Very high87.5Confident61 Ų6164.8 Ų64.863%0.62934%0.338SS*.THydrogen-bonded Turntrans54.2-124.9178.100000112.2F346F346-G348 VanDerWaalsContact C-N 3.3Å; F346-G348 PolarHBondContact O-N 2.86Å
349R97.2Very high88.6Confident162 Ų16263.2 Ų63.261%0.61133%0.327SS*.THydrogen-bonded Turntrans-96.118.4-179.3-61.3-170.866.2-142.7-2.1114.3T347 S351 Q352 Q353T347-R349 PolarHBondContact O-N 3.44Å; R349-S351 PolarHBondContact O-N 3Å; R349-Q352 PolarHBondContact O-N 3.39Å; R349-Q352 PolarHBondContact O-OE1 3.32Å; R349-Q353 HydrophobicContact CB-CG 4.26Å; R349-Q353 WeakPolarHBondContact O-CB 3.24Å; R349-Q353 VanDerWaalsContact O-CG 3.24Å; R349-Q353 WeakPolarHBondContact O-CG 3.42Å; R349-Q353 PolarHBondContact O-N 3.44Å
350A93Very high89.6Confident2 Ų262 Ų622%0.01732%0.321CS..Hα-helixtrans-58.4-46-166.400000113.2T167 K170 T347 Q353 V354T167-A350 HydrophobicContact CG2-CB 3.67Å; K170-A350 HydrophobicContact CB-CB 3.93Å; K170-A350 HydrophobicContact CG-CB 4.24Å; T347-A350 WeakPolarHBondContact O-CB 3.26Å; T347-A350 PolarHBondContact O-N 3.01Å; T347-A350 VanDerWaalsContact O-N 3.11Å; A350-Q353 PolarHBondContact O-N 3.12Å; A350-V354 WeakPolarHBondContact O-CG2 3.2Å; A350-V354 PolarHBondContact O-N 3.04Å; A350-V354 VanDerWaalsContact O-N 3.07Å
351S96.1Very high90.7Very high31 Ų3165.8 Ų65.822%0.21734%0.338CS..Hα-helixtrans-69.1-40.4-17956.90000112.8R349 Q353 V354 Q355R349-S351 PolarHBondContact O-N 3Å; S351-Q353 VanDerWaalsContact C-N 3.32Å; S351-Q353 PolarHBondContact O-N 3.27Å; S351-V354 WeakPolarHBondContact O-CB 3.28Å; S351-V354 PolarHBondContact O-N 3.19Å; S351-Q355 PolarHBondContact O-N 2.68Å; S351-Q355 VanDerWaalsContact O-N 3.08Å
352Q98.5Very high91.9Very high94 Ų9463.7 Ų63.744%0.43933%0.327SS..Hα-helixtrans-68.1-34.4176.7-56.685.83.500111.7R349 Q355 R356R349-Q352 PolarHBondContact O-N 3.39Å; R349-Q352 PolarHBondContact O-OE1 3.32Å; Q352-Q355 PolarHBondContact O-N 2.83Å; Q352-R356 WeakPolarHBondContact O-CB 3.17Å; Q352-R356 PolarHBondContact O-N 2.89Å
353Q98.7Very high93Very high76 Ų7664.7 Ų64.736%0.35533%0.327SS..Hα-helixtrans-64.7-40.6173.5-74.8170.2-21.400111.8K170 R349 A350 S351 F357K170-Q353 HydrophobicContact CD-CB 4.07Å; R349-Q353 HydrophobicContact CB-CG 4.26Å; R349-Q353 WeakPolarHBondContact O-CB 3.24Å; R349-Q353 VanDerWaalsContact O-CG 3.24Å; R349-Q353 WeakPolarHBondContact O-CG 3.42Å; R349-Q353 PolarHBondContact O-N 3.44Å; A350-Q353 PolarHBondContact O-N 3.12Å; S351-Q353 VanDerWaalsContact C-N 3.32Å; S351-Q353 PolarHBondContact O-N 3.27Å; Q353-F357 VanDerWaalsContact O-CB 3.25Å; Q353-F357 WeakPolarHBondContact O-CB 3.47Å; Q353-F357 PolarHBondContact O-N 3.09Å
354V98.5Very high94.3Very high1 Ų165.1 Ų65.11%0.00633%0.33CS..Hα-helixtrans-58.8-53.8174.21720000110A146 A150 K170 A350 S351 R356 F357 L358A146-V354 HydrophobicContact CB-CG1 4.44Å; A150-V354 HydrophobicContact CB-CB 4.11Å; A150-V354 HydrophobicContact CB-CG1 3.86Å; A150-V354 HydrophobicContact CB-CG2 4.37Å; K170-V354 VanDerWaalsContact CA-CG2 3.48Å; K170-V354 HydrophobicContact CB-CG2 3.93Å; K170-V354 HydrophobicContact CD-CG2 4.46Å; K170-V354 VanDerWaalsContact N-CG2 3.35Å; A350-V354 WeakPolarHBondContact O-CG2 3.2Å; A350-V354 PolarHBondContact O-N 3.04Å; A350-V354 VanDerWaalsContact O-N 3.07Å; S351-V354 WeakPolarHBondContact O-CB 3.28Å; S351-V354 PolarHBondContact O-N 3.19Å; V354-R356 PolarHBondContact O-N 2.95Å; V354-F357 PolarHBondContact O-N 3.24Å; V354-L358 HydrophobicContact CG1-CD1 3.8Å; V354-L358 HydrophobicContact CG1-CG 4.23Å; V354-L358 VanDerWaalsContact O-CG 3.28Å; V354-L358 WeakPolarHBondContact O-CG 3.19Å; V354-L358 PolarHBondContact O-N 3.02Å
355Q98.8Very high95.3Very high109 Ų10964.1 Ų64.151%0.50932%0.32SS..Hα-helixtrans-55.9-53.1-177.9-178.1179.33.800111.5S351 Q352 F357 L358 E359S351-Q355 PolarHBondContact O-N 2.68Å; S351-Q355 VanDerWaalsContact O-N 3.08Å; Q352-Q355 PolarHBondContact O-N 2.83Å; Q355-F357 PolarHBondContact O-N 3.43Å; Q355-L358 PolarHBondContact O-N 3.48Å; Q355-E359 HydrophobicContact CG-CG 4.44Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.4Å; Q355-E359 PolarHBondContact NE2-OE1 3.43Å; Q355-E359 WeakPolarHBondContact O-CB 3.33Å; Q355-E359 WeakPolarHBondContact O-CG 3.29Å; Q355-E359 PolarHBondContact O-N 3.28Å
356R98.8Very high96.2Very high143 Ų14361.7 Ų61.754%0.5430%0.301SS..Hα-helixtrans-59.7-46-177.4-169.4177.3-174.8-172.9-3.3112.3Q352 V354 E359 E360Q352-R356 WeakPolarHBondContact O-CB 3.17Å; Q352-R356 PolarHBondContact O-N 2.89Å; V354-R356 PolarHBondContact O-N 2.95Å; R356-E359 PolarHBondContact O-N 3.23Å; R356-E360 VanDerWaalsContact CG-CD 3.49Å; R356-E360 HydrophobicContact CG-CG 4.18Å; R356-E360 VanDerWaalsContact CG-OE1 3.24Å; R356-E360 WeakPolarHBondContact CG-OE1 3.44Å; R356-E360 IonicContact CZ-OE1 2.89Å; R356-E360 IonicContact CZ-OE2 2.68Å; R356-E360 VanDerWaalsContact NE-CD 3.31Å; R356-E360 IonicContact NE-OE1 3.92Å; R356-E360 PolarHBondContact NE-OE1 3.12Å; R356-E360 IonicContact NE-OE2 3.56Å; R356-E360 PolarHBondContact NE-OE2 3.34Å; R356-E360 VanDerWaalsContact NE-OE2 3.12Å; R356-E360 IonicContact NH2-OE1 3.41Å; R356-E360 IonicContact NH2-OE2 2.58Å; R356-E360 PolarHBondContact NH2-OE2 3.41Å; R356-E360 WeakPolarHBondContact O-CB 3.48Å; R356-E360 PolarHBondContact O-N 2.95Å
357F98.9Very high97.2Very high21 Ų2167.3 Ų67.39%0.09233%0.326CS..Hα-helixtrans-63.1-44.4179.1171-109.4000112.1C173 I176 Q177 Q353 V354 Q355 E359 E361 V362C173-F357 HydrophobicContact CB-CD1 3.77Å; C173-F357 HydrophobicContact CB-CE1 3.93Å; I176-F357 HydrophobicContact CB-CE1 3.87Å; I176-F357 HydrophobicContact CB-CZ 4.29Å; I176-F357 HydrophobicContact CG2-CE1 3.59Å; I176-F357 HydrophobicContact CG2-CZ 3.86Å; Q177-F357 HydrophobicContact CB-CE2 4.21Å; Q177-F357 HydrophobicContact CB-CZ 3.89Å; Q177-F357 HydrophobicContact CG-CE2 4.29Å; Q177-F357 HydrophobicContact CG-CZ 4.44Å; Q353-F357 VanDerWaalsContact O-CB 3.25Å; Q353-F357 WeakPolarHBondContact O-CB 3.47Å; Q353-F357 PolarHBondContact O-N 3.09Å; V354-F357 PolarHBondContact O-N 3.24Å; Q355-F357 PolarHBondContact O-N 3.43Å; F357-E359 PolarHBondContact O-N 3.1Å; F357-E361 HydrophobicContact CD2-CB 3.98Å; F357-E361 HydrophobicContact CD2-CG 4.29Å; F357-E361 HydrophobicContact CE2-CB 4Å; F357-E361 WeakPolarHBondContact CE2-OE2 3.35Å; F357-E361 WeakPolarHBondContact O-CB 3.39Å; F357-E361 PolarHBondContact O-N 3.3Å; F357-V362 HydrophobicContact CD1-CG2 3.87Å; F357-V362 HydrophobicContact CE1-CG2 3.39Å; F357-V362 HydrophobicContact CE2-CG2 4.13Å; F357-V362 HydrophobicContact CG-CG2 4.43Å; F357-V362 HydrophobicContact CZ-CG2 3.53Å; F357-V362 PolarHBondContact O-N 3.01Å
358L98.8Very high97.9Very high3 Ų370.5 Ų70.52%0.01635%0.347CS..Iπ-helixtrans-62.7-43.3178.6-67.5-176.8000111.7A143 K147 I176 V354 Q355 V362 Y363A143-L358 HydrophobicContact CB-CD2 3.77Å; K147-L358 HydrophobicContact CB-CD1 3.88Å; I176-L358 HydrophobicContact CD1-CD2 4.18Å; V354-L358 HydrophobicContact CG1-CD1 3.8Å; V354-L358 HydrophobicContact CG1-CG 4.23Å; V354-L358 VanDerWaalsContact O-CG 3.28Å; V354-L358 WeakPolarHBondContact O-CG 3.19Å; V354-L358 PolarHBondContact O-N 3.02Å; Q355-L358 PolarHBondContact O-N 3.48Å; L358-V362 HydrophobicContact CD2-CB 4.22Å; L358-V362 HydrophobicContact CD2-CG1 4.45Å; L358-V362 HydrophobicContact CD2-CG2 3.96Å; L358-V362 PolarHBondContact O-N 2.99Å; L358-Y363 HydrophobicContact CB-CE1 4.45Å; L358-Y363 HydrophobicContact CB-CE2 3.97Å; L358-Y363 WeakPolarHBondContact O-CD2 3.36Å; L358-Y363 PolarHBondContact O-N 3.39Å
359E98.8Very high98.2Very high104 Ų10469 Ų6949%0.48632%0.322SS..Iπ-helixtrans-72.3-48-178-71.1171.5-177.200113.2Q355 R356 F357 Y363 P364Q355-E359 HydrophobicContact CG-CG 4.44Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.4Å; Q355-E359 PolarHBondContact NE2-OE1 3.43Å; Q355-E359 WeakPolarHBondContact O-CB 3.33Å; Q355-E359 WeakPolarHBondContact O-CG 3.29Å; Q355-E359 PolarHBondContact O-N 3.28Å; R356-E359 PolarHBondContact O-N 3.23Å; F357-E359 PolarHBondContact O-N 3.1Å; E359-Y363 HydrophobicContact CG-CD2 4.47Å; E359-Y363 HydrophobicContact CG-CE2 4.35Å; E359-P364 WeakPolarHBondContact O-CD 3.12Å
360E98.8Very high98.2Very high111 Ų11168.1 Ų68.152%0.51933%0.325SS..Iπ-helixtrans-83.2-32.7-172.5-66.6-179.2-164.500113R356R356-E360 VanDerWaalsContact CG-CD 3.49Å; R356-E360 HydrophobicContact CG-CG 4.18Å; R356-E360 VanDerWaalsContact CG-OE1 3.24Å; R356-E360 WeakPolarHBondContact CG-OE1 3.44Å; R356-E360 IonicContact CZ-OE1 2.89Å; R356-E360 IonicContact CZ-OE2 2.68Å; R356-E360 VanDerWaalsContact NE-CD 3.31Å; R356-E360 IonicContact NE-OE1 3.92Å; R356-E360 PolarHBondContact NE-OE1 3.12Å; R356-E360 IonicContact NE-OE2 3.56Å; R356-E360 PolarHBondContact NE-OE2 3.34Å; R356-E360 VanDerWaalsContact NE-OE2 3.12Å; R356-E360 IonicContact NH2-OE1 3.41Å; R356-E360 IonicContact NH2-OE2 2.58Å; R356-E360 PolarHBondContact NH2-OE2 3.41Å; R356-E360 WeakPolarHBondContact O-CB 3.48Å; R356-E360 PolarHBondContact O-N 2.95Å
361E98.8Very high98.4Very high106 Ų10673.5 Ų73.550%0.49536%0.362SS..Iπ-helixtrans-116.3-39.1-170.5-63.1-177.9-14700113.7F357 L365F357-E361 HydrophobicContact CD2-CB 3.98Å; F357-E361 HydrophobicContact CD2-CG 4.29Å; F357-E361 HydrophobicContact CE2-CB 4Å; F357-E361 WeakPolarHBondContact CE2-OE2 3.35Å; F357-E361 WeakPolarHBondContact O-CB 3.39Å; F357-E361 PolarHBondContact O-N 3.3Å; E361-L365 WeakPolarHBondContact O-CD1 3.3Å; E361-L365 WeakPolarHBondContact O-CG 3.46Å
362V98.8Very high98.4Very high0 Ų074.6 Ų74.60%037%0.368CS..Iπ-helixtrans-85.5-57.3-171.5-1770000112.3I139 A143 I176 F357 L358 P364 L365 L366I139-V362 HydrophobicContact CG2-CG1 3.64Å; A143-V362 HydrophobicContact CB-CG1 4.22Å; I176-V362 HydrophobicContact CG2-CG1 4.08Å; I176-V362 HydrophobicContact CG2-CG2 3.57Å; F357-V362 HydrophobicContact CD1-CG2 3.87Å; F357-V362 HydrophobicContact CE1-CG2 3.39Å; F357-V362 HydrophobicContact CE2-CG2 4.13Å; F357-V362 HydrophobicContact CG-CG2 4.43Å; F357-V362 HydrophobicContact CZ-CG2 3.53Å; F357-V362 PolarHBondContact O-N 3.01Å; L358-V362 HydrophobicContact CD2-CB 4.22Å; L358-V362 HydrophobicContact CD2-CG1 4.45Å; L358-V362 HydrophobicContact CD2-CG2 3.96Å; L358-V362 PolarHBondContact O-N 2.99Å; V362-P364 VanDerWaalsContact C-CD 3.46Å; V362-L365 WeakPolarHBondContact O-CB 3.29Å; V362-L365 PolarHBondContact O-N 2.71Å; V362-L365 VanDerWaalsContact O-N 3.08Å; V362-L366 HydrophobicContact CG1-CD1 3.97Å; V362-L366 HydrophobicContact CG1-CG 4.32Å; V362-L366 PolarHBondContact O-N 3.03Å
363Y98.8Very high98.2Very high79 Ų7971.1 Ų71.131%0.3135%0.352SS..Hα-helixtrans-59.2-36.8-175.3-60.4-33.2000114.2A143 L358 E359 L365 L366 K367A143-Y363 HydrophobicContact CB-CE1 4.28Å; L358-Y363 HydrophobicContact CB-CE1 4.45Å; L358-Y363 HydrophobicContact CB-CE2 3.97Å; L358-Y363 WeakPolarHBondContact O-CD2 3.36Å; L358-Y363 PolarHBondContact O-N 3.39Å; E359-Y363 HydrophobicContact CG-CD2 4.47Å; E359-Y363 HydrophobicContact CG-CE2 4.35Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.38Å; Y363-L366 HydrophobicContact CD1-CD1 4.49Å; Y363-L366 PolarHBondContact O-N 3.03Å; Y363-K367 PolarHBondContact O-N 2.98Å; Y363-K367 VanDerWaalsContact O-N 3.16Å
364P98.8Very high98Very high73 Ų7376.6 Ų76.647%0.47438%0.375SS..Hα-helixtrans-59-39.2173.5-2737.5000113.5E359 V362 L366E359-P364 WeakPolarHBondContact O-CD 3.12Å; V362-P364 VanDerWaalsContact C-CD 3.46Å; P364-L366 VanDerWaalsContact C-N 3.32Å; P364-L366 PolarHBondContact O-N 2.81Å
365L98.5Very high97.8Very high45 Ų4580.6 Ų80.624%0.23640%0.399CS..Hα-helixtrans-69.5-29.3178.1-66.1175.5000112.8C180 L183 Q184 E361 V362 Y363 P368C180-L365 HydrophobicContact CB-CD1 3.78Å; L183-L365 HydrophobicContact CD2-CB 4.28Å; Q184-L365 HydrophobicContact CG-CD1 4.18Å; Q184-L365 HydrophobicContact CG-CD2 3.86Å; E361-L365 WeakPolarHBondContact O-CD1 3.3Å; E361-L365 WeakPolarHBondContact O-CG 3.46Å; V362-L365 WeakPolarHBondContact O-CB 3.29Å; V362-L365 PolarHBondContact O-N 2.71Å; V362-L365 VanDerWaalsContact O-N 3.08Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.38Å; L365-P368 WeakPolarHBondContact O-CD 3.28Å
366L98.7Very high97.7Very high15 Ų1583.8 Ų83.88%0.07941%0.411CS..Hα-helixtrans-82.4-22.5-178.8-65.2-175.3000113.7A136 I139 V362 Y363 P364 P368 Y369 M373A136-L366 HydrophobicContact CB-CD2 4Å; A136-L366 WeakPolarHBondContact O-CD2 3.31Å; I139-L366 HydrophobicContact CB-CD2 4.02Å; I139-L366 HydrophobicContact CG2-CD1 4.15Å; I139-L366 HydrophobicContact CG2-CD2 3.75Å; I139-L366 HydrophobicContact CG2-CG 4.22Å; V362-L366 HydrophobicContact CG1-CD1 3.97Å; V362-L366 HydrophobicContact CG1-CG 4.32Å; V362-L366 PolarHBondContact O-N 3.03Å; Y363-L366 HydrophobicContact CD1-CD1 4.49Å; Y363-L366 PolarHBondContact O-N 3.03Å; P364-L366 VanDerWaalsContact C-N 3.32Å; P364-L366 PolarHBondContact O-N 2.81Å; L366-P368 VanDerWaalsContact C-CD 3.44Å; L366-Y369 PolarHBondContact O-N 3.27Å; L366-M373 HydrophobicContact CB-CE 4.04Å; L366-M373 HydrophobicContact CD2-CE 3.98Å; L366-M373 HydrophobicContact CG-CE 4.44Å
367K98.5Very high97.5Very high156 Ų15681.9 Ų81.968%0.67843%0.426SS*.G310 helixtrans-50.9-42.8-175.1-170.5173.2-175.5175.80114.2Y363 Y369 E370Y363-K367 PolarHBondContact O-N 2.98Å; Y363-K367 VanDerWaalsContact O-N 3.16Å; K367-Y369 PolarHBondContact O-N 3.04Å; K367-Y369 VanDerWaalsContact O-N 3.12Å; K367-E370 PolarHBondContact O-N 3.41Å
368P98.5Very high97.3Very high89 Ų8988.9 Ų88.958%0.57846%0.459SS*.G310 helixtrans-64.5-15.9178.3-22.535.5000114.9L365 L366L365-P368 WeakPolarHBondContact O-CD 3.28Å; L366-P368 VanDerWaalsContact C-CD 3.44Å
369Y98.5Very high96.9Very high29 Ų2996.4 Ų96.411%0.11450%0.498CS..G310 helixtrans-108.57.6-174.1-55.3-79.2000113.1L132 P133 A136 L183 L366 K367 S371 V372 M373L132-Y369 HydrophobicContact CB-CE1 3.89Å; P133-Y369 HydrophobicContact CB-CD1 4.26Å; A136-Y369 HydrophobicContact CB-CD1 4.3Å; A136-Y369 HydrophobicContact CB-CD2 3.65Å; A136-Y369 HydrophobicContact CB-CE2 4.25Å; A136-Y369 HydrophobicContact CB-CG 3.68Å; L183-Y369 HydrophobicContact CD1-CE2 4.32Å; L183-Y369 HydrophobicContact CD2-CE2 4.29Å; L366-Y369 PolarHBondContact O-N 3.27Å; K367-Y369 PolarHBondContact O-N 3.04Å; K367-Y369 VanDerWaalsContact O-N 3.12Å; Y369-S371 VanDerWaalsContact C-N 3.29Å; Y369-S371 PolarHBondContact O-N 3.28Å; Y369-V372 WeakPolarHBondContact O-CG2 3.29Å; Y369-V372 PolarHBondContact O-N 3.11Å; Y369-M373 WeakPolarHBondContact O-CG 3.4Å
370E96.8Very high96.2Very high144 Ų14496.6 Ų96.667%0.67351%0.51SS*.G310 helixtrans-54.4-41.7-172.8-172.4174.4-179.200113.2K367 V372 M373K367-E370 PolarHBondContact O-N 3.41Å; E370-V372 PolarHBondContact O-N 2.76Å; E370-V372 VanDerWaalsContact O-N 3.16Å; E370-M373 PolarHBondContact O-N 3.47Å
371S97.4Very high95.2Very high114 Ų11497.7 Ų97.780%0.79752%0.518SS*.G310 helixtrans-63.5-21.1-179.159.80000114.1Y369Y369-S371 VanDerWaalsContact C-N 3.29Å; Y369-S371 PolarHBondContact O-N 3.28Å
372V96.1Very high95Very high54 Ų5497.3 Ų97.333%0.32752%0.519SS..G310 helixtrans-11113.9-176.2-62.20000113.4P133 R137 Y369 E370P133-V372 HydrophobicContact CB-CG2 3.81Å; R137-V372 WeakPolarHBondContact CD-O 3.48Å; R137-V372 PolarHBondContact NH1-O 3.47Å; Y369-V372 WeakPolarHBondContact O-CG2 3.29Å; Y369-V372 PolarHBondContact O-N 3.11Å; E370-V372 PolarHBondContact O-N 2.76Å; E370-V372 VanDerWaalsContact O-N 3.16Å
373M95.1Very high94.8Very high21 Ų21102.4 Ų102.410%0.10355%0.547CS..THydrogen-bonded Turntrans-78.2-18.8-176.6-72.8-57.4-17900115A136 R137 R141 L366 Y369 E370A136-M373 HydrophobicContact CB-CE 4Å; R137-M373 HydrophobicContact CG-SD 3.8Å; R141-M373 PolarHBondContact NH1-O 3.21Å; R141-M373 PolarHBondContact NH2-O 3.03Å; L366-M373 HydrophobicContact CB-CE 4.04Å; L366-M373 HydrophobicContact CD2-CE 3.98Å; L366-M373 HydrophobicContact CG-CE 4.44Å; Y369-M373 WeakPolarHBondContact O-CG 3.4Å; E370-M373 PolarHBondContact O-N 3.47Å
374K94.3Very high94.6Very high192 Ų192103.7 Ų103.784%0.83556%0.56SS**THydrogen-bonded Turntrans-82.3-14-173.6-60-61.4179.8-177.20114.3K376K374-K376 PolarHBondContact O-N 3.4Å
375V94.6Very high94.3Very high84 Ų84105.5 Ų105.551%0.50957%0.565SS.*PPolyproline II helixtrans-60.8129.8177.4-177.20000110.1R137R137-V375 WeakPolarHBondContact CD-O 3.23Å
376K94.9Very high94.1Very high177 Ų177109.3 Ų109.377%0.7759%0.586SS**PPolyproline II helixtrans-89.1145.9173.2-68.2-173.3177-178.30110K374K374-K376 PolarHBondContact O-N 3.4Å
377A95.2Very high93.8Very high103 Ų103115.5 Ų115.585%0.85162%0.619SS**PPolyproline II helixtrans-85.7121.5171.100000108.8
378E94.1Very high93.4Very high168 Ų168112.6 Ų112.679%0.78562%0.615SS**PPolyproline II helixtrans-99.9145175.4-63.7-178.3178.100109.6
379L90.7Very high93Very high160 Ų160114.5 Ų114.584%0.83862%0.618SS**  trans-125136173.1-62.1176.4000107.8
380C84.3Confident92.6Very high109 Ų109121.6 Ų121.674%0.73666%0.66SS**  trans-111.89.1-175.4-60.80000113.1
381L77.4Confident92.2Very high133 Ų133119.5 Ų119.570%0.69666%0.659SS**  trans-155.70-173.956.385.8000112.9R20R20-L381 HydrophobicContact CG-CD2 3.38Å; R20-L381 VanDerWaalsContact O-CD2 3.31Å; R20-L381 WeakPolarHBondContact O-CD2 3.44Å

Retrieved 381 of 381 residues in 359.8 ms (Link to these results)

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