A0A087X2Z6_POEFO Loading...

Lymphocyte cytosolic protein 1 (L-plastin)

AlphaFold DB , UniProt , Accession A0A087X2Z6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 622 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
1V39.2Very low43.3Very low201 Ų201120.7 Ų120.7100%1.21875%0.746SS**  099.60-174.90000107.3
2A29.3Very low44.6Very low101 Ų101123.8 Ų123.884%0.83575%0.745SS**  trans-127.6118173.800000107M4A2-M4 PolarHBondContact O-N 3.47Å
3N28.3Very low45.8Very low162 Ų162119.8 Ų119.887%0.86671%0.714SS**  trans-60.6113.5-175-94.6-20.6000111.8A5N3-A5 PolarHBondContact O-N 3.22Å
4M31.5Very low47.4Very low188 Ų188115.6 Ų115.693%0.92669%0.686SS**  trans-76.2103.9150.7-90178.5163.800107.4A2 A6A2-M4 PolarHBondContact O-N 3.47Å; M4-A6 PolarHBondContact O-N 3.09Å; M4-A6 VanDerWaalsContact O-N 3.15Å
5A32.1Very low48.7Very low93 Ų93114.5 Ų114.577%0.76967%0.671SS**  trans-73100.3165.300000107.9N3 T7N3-A5 PolarHBondContact O-N 3.22Å; A5-T7 PolarHBondContact O-N 3.25Å; A5-T7 VanDerWaalsContact O-N 3.08Å
6A36.9Very low49.8Very low93 Ų93115.9 Ų115.977%0.76967%0.669SS**  trans-63.1105.8168.300000108.7M4 K8M4-A6 PolarHBondContact O-N 3.09Å; M4-A6 VanDerWaalsContact O-N 3.15Å; A6-K8 PolarHBondContact O-N 2.96Å; A6-K8 VanDerWaalsContact O-N 3.15Å
7T43.7Very low50.9Low100 Ų100110.5 Ų110.561%0.61364%0.637SS**  trans-66110.2170.8-18.20000108A5 I9A5-T7 PolarHBondContact O-N 3.25Å; A5-T7 VanDerWaalsContact O-N 3.08Å; T7-I9 PolarHBondContact O-N 2.86Å
8K48.8Very low52.1Low199 Ų199109.2 Ų109.287%0.86562%0.622SS**  trans-71.3110.9175.1-80.1-178.6173.1-178.60109A6A6-K8 PolarHBondContact O-N 2.96Å; A6-K8 VanDerWaalsContact O-N 3.15Å
9I59.8Low53.1Low54 Ų54109.1 Ų109.128%0.27762%0.616SS.*  trans-63.5132.9166.6-57.2174.2000107.6T7 E13 L14T7-I9 PolarHBondContact O-N 2.86Å; I9-E13 HydrophobicContact CG2-CB 3.86Å; I9-L14 HydrophobicContact CG2-CB 4.15Å; I9-L14 HydrophobicContact CG2-CD1 4.09Å
10S67.3Low53.9Low50 Ų50104.3 Ų104.335%0.3559%0.59SS.*  trans-71.7157177.379.90000110.8E12 E13 L14S10-E12 PolarHBondContact O-N 3.03Å; S10-E13 PolarHBondContact O-N 3.07Å; S10-E13 WeakPolarHBondContact OG-CB 3.48Å; S10-E13 WeakPolarHBondContact OG-CG 3.4Å; S10-E13 PolarHBondContact OG-N 3.4Å; S10-E13 VanDerWaalsContact OG-N 3.1Å; S10-L14 PolarHBondContact O-N 3.12Å
11A60Low54.8Low87 Ų87100 Ų10072%0.71957%0.565SS**Hα-helixtrans-62.5-31.7179.300000112.6E15A11-E15 PolarHBondContact O-N 2.79Å
12E58.1Low56.5Low157 Ų15793.5 Ų93.573%0.73453%0.533SS*.Hα-helixtrans-71.7-45175.3-70.7172.3170.500111.7S10 L14 E15 E16S10-E12 PolarHBondContact O-N 3.03Å; E12-L14 VanDerWaalsContact C-N 3.28Å; E12-L14 PolarHBondContact O-N 2.72Å; E12-E15 PolarHBondContact O-N 2.89Å; E12-E16 PolarHBondContact O-N 3.4Å
13E61Low58.4Low73 Ų7393.7 Ų93.734%0.34152%0.515SS..Hα-helixtrans-63.3-34.9176.3-77-176.7148.600111.8I9 S10 E15 L17 K80I9-E13 HydrophobicContact CG2-CB 3.86Å; S10-E13 PolarHBondContact O-N 3.07Å; S10-E13 WeakPolarHBondContact OG-CB 3.48Å; S10-E13 WeakPolarHBondContact OG-CG 3.4Å; S10-E13 PolarHBondContact OG-N 3.4Å; S10-E13 VanDerWaalsContact OG-N 3.1Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-L17 WeakPolarHBondContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CD1 3.34Å; E13-L17 WeakPolarHBondContact O-CG 3.32Å; E13-L17 PolarHBondContact O-N 3.1Å; E13-L17 VanDerWaalsContact O-N 3.1Å; E13-K80 IonicContact OE1-NZ 2.77Å
14L67.5Low60.4Low61 Ų6186 Ų8632%0.31947%0.474SS..Hα-helixtrans-66.6-37.4177.3-16388.8000111.5I9 S10 E12 L17 K18I9-L14 HydrophobicContact CG2-CB 4.15Å; I9-L14 HydrophobicContact CG2-CD1 4.09Å; S10-L14 PolarHBondContact O-N 3.12Å; E12-L14 VanDerWaalsContact C-N 3.28Å; E12-L14 PolarHBondContact O-N 2.72Å; L14-L17 PolarHBondContact O-N 3.14Å; L14-K18 WeakPolarHBondContact O-CG 3.14Å; L14-K18 PolarHBondContact O-N 3.03Å
15E66.6Low62.6Low99 Ų9977.8 Ų77.846%0.46343%0.434SS..Hα-helixtrans-73.5-41.4-179.7-155.365-171.800111.4A11 E12 E13 L17 K18 E19A11-E15 PolarHBondContact O-N 2.79Å; E12-E15 PolarHBondContact O-N 2.89Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E15-L17 VanDerWaalsContact C-N 3.28Å; E15-L17 PolarHBondContact O-N 2.87Å; E15-K18 PolarHBondContact O-N 2.82Å; E15-K18 VanDerWaalsContact O-N 3.16Å; E15-K18 IonicContact OE2-NZ 2.75Å; E15-K18 PolarHBondContact OE2-NZ 3.27Å; E15-E19 PolarHBondContact O-N 3.45Å
16E66.6Low64.4Low137 Ų13777.8 Ų77.864%0.6442%0.424SS*.Hα-helixtrans-57.9-40.1171.3-72.2-179178.800112.2E12 A20E12-E16 PolarHBondContact O-N 3.4Å; E16-A20 WeakPolarHBondContact O-CB 3.13Å; E16-A20 PolarHBondContact O-N 3.41Å
17L67.8Low66Low24 Ų2478.3 Ų78.313%0.12641%0.414CS..Hα-helixtrans-69.8-35.1177.8-71.6169.4000112.3E13 L14 E15 A20 F21 F69 F72 T73 V76E13-L17 WeakPolarHBondContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CD1 3.34Å; E13-L17 WeakPolarHBondContact O-CG 3.32Å; E13-L17 PolarHBondContact O-N 3.1Å; E13-L17 VanDerWaalsContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.14Å; E15-L17 VanDerWaalsContact C-N 3.28Å; E15-L17 PolarHBondContact O-N 2.87Å; L17-A20 PolarHBondContact O-N 2.86Å; L17-F21 WeakPolarHBondContact O-CB 3.46Å; L17-F21 PolarHBondContact O-N 3.5Å; L17-F69 HydrophobicContact CB-CE2 4.43Å; L17-F72 HydrophobicContact CB-CE1 4.44Å; L17-F72 HydrophobicContact CD2-CE1 4Å; L17-F72 WeakPolarHBondContact O-CE1 3.34Å; L17-T73 HydrophobicContact CB-CG2 4.16Å; L17-T73 HydrophobicContact CD1-CG2 4.07Å; L17-V76 HydrophobicContact CD2-CB 3.78Å; L17-V76 HydrophobicContact CD2-CG1 3.61Å; L17-V76 HydrophobicContact CD2-CG2 3.96Å
18K73.6Confident67.4Low86 Ų8676.3 Ų76.337%0.37441%0.414SS..Hα-helixtrans-66.3-44.5173.8-75.8177.3-169.3163.80111.8L14 E15 A20 F21 A22 F69L14-K18 WeakPolarHBondContact O-CG 3.14Å; L14-K18 PolarHBondContact O-N 3.03Å; E15-K18 PolarHBondContact O-N 2.82Å; E15-K18 VanDerWaalsContact O-N 3.16Å; E15-K18 IonicContact OE2-NZ 2.75Å; E15-K18 PolarHBondContact OE2-NZ 3.27Å; K18-A20 VanDerWaalsContact C-N 3.33Å; K18-A20 PolarHBondContact O-N 2.67Å; K18-F21 PolarHBondContact O-N 3.39Å; K18-A22 WeakPolarHBondContact O-CB 3.42Å; K18-A22 PolarHBondContact O-N 3.15Å; K18-F69 HydrophobicContact CB-CE2 4.18Å; K18-F69 HydrophobicContact CB-CZ 4.27Å; K18-F69 HydrophobicContact CD-CZ 4.37Å; K18-F69 HydrophobicContact CG-CE1 3.97Å; K18-F69 HydrophobicContact CG-CE2 3.57Å; K18-F69 HydrophobicContact CG-CZ 3.24Å
19E71.3Confident68.7Low108 Ų10869.7 Ų69.751%0.50539%0.387SS..Hα-helixtrans-62.9-41.5175.9-72.5-171-175.900111.6E15 K23E15-E19 PolarHBondContact O-N 3.45Å; E19-K23 WeakPolarHBondContact O-CB 3.1Å; E19-K23 WeakPolarHBondContact O-CD 3.37Å; E19-K23 WeakPolarHBondContact O-CG 3.42Å; E19-K23 PolarHBondContact O-N 2.97Å; E19-K23 VanDerWaalsContact O-N 3.13Å; E19-K23 IonicContact OE2-NZ 3.12Å
20A68.3Low69.4Low12 Ų1268.9 Ų68.910%0.09939%0.393CS..Hα-helixtrans-63.7-41.6175.600000112.1E16 L17 K18 K23 I24 F72 I92E16-A20 WeakPolarHBondContact O-CB 3.13Å; E16-A20 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 2.86Å; K18-A20 VanDerWaalsContact C-N 3.33Å; K18-A20 PolarHBondContact O-N 2.67Å; A20-K23 PolarHBondContact O-N 3.49Å; A20-I24 WeakPolarHBondContact O-CD1 3.07Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.37Å; A20-I24 PolarHBondContact O-N 3.23Å; A20-F72 HydrophobicContact CB-CE1 4.39Å; A20-F72 HydrophobicContact CB-CZ 4.14Å; A20-I92 HydrophobicContact CB-CD1 4.39Å; A20-I92 HydrophobicContact CB-CG2 4.31Å
21F74.2Confident70Confident14 Ų1470.7 Ų70.76%0.06139%0.394CS..Hα-helixtrans-63.1-49.2177.6-171.4-90.3000111.5L17 K18 K23 I24 D25 G30 I32 F69 F72L17-F21 WeakPolarHBondContact O-CB 3.46Å; L17-F21 PolarHBondContact O-N 3.5Å; K18-F21 PolarHBondContact O-N 3.39Å; F21-K23 PolarHBondContact O-N 3.42Å; F21-I24 PolarHBondContact O-N 3Å; F21-D25 WeakPolarHBondContact O-CB 3.47Å; F21-D25 PolarHBondContact O-N 2.74Å; F21-G30 WeakPolarHBondContact CZ-O 3.18Å; F21-I32 HydrophobicContact CD2-CD1 3.33Å; F21-I32 HydrophobicContact CD2-CG1 4.01Å; F21-I32 HydrophobicContact CE2-CD1 3.49Å; F21-I32 VanDerWaalsContact CE2-CD1 3.49Å; F21-I32 HydrophobicContact CE2-CG1 3.73Å; F21-I32 HydrophobicContact CG-CD1 4.01Å; F21-I32 HydrophobicContact CZ-CD1 4.27Å; F21-I32 HydrophobicContact CZ-CG1 4.03Å; F21-F69 HydrophobicContact CB-CD2 3.78Å; F21-F69 HydrophobicContact CB-CE2 4.12Å; F21-F69 HydrophobicContact CD1-CB 4.46Å; F21-F69 HydrophobicContact CD1-CD2 4.14Å; F21-F69 HydrophobicContact CD2-CB 4.36Å; F21-F69 AromaticContact CD2-CD2 3.91Å; F21-F69 HydrophobicContact CD2-CD2 3.91Å; F21-F69 HydrophobicContact CE1-CB 4.27Å; F21-F69 HydrophobicContact CE2-CB 4.17Å; F21-F69 AromaticContact CG-CD2 3.68Å; F21-F69 HydrophobicContact CG-CD2 3.68Å; F21-F69 HydrophobicContact CZ-CB 4.12Å; F21-F72 HydrophobicContact CB-CD1 4.15Å; F21-F72 HydrophobicContact CB-CE1 4.08Å; F21-F72 HydrophobicContact CD2-CB 3.65Å; F21-F72 AromaticContact CD2-CD1 3.76Å; F21-F72 HydrophobicContact CD2-CD1 3.76Å; F21-F72 HydrophobicContact CD2-CD2 4.05Å; F21-F72 HydrophobicContact CD2-CE1 4.38Å; F21-F72 AromaticContact CD2-CG 3.57Å; F21-F72 HydrophobicContact CD2-CG 3.57Å; F21-F72 HydrophobicContact CE2-CB 3.82Å; F21-F72 HydrophobicContact CE2-CG 4.21Å; F21-F72 HydrophobicContact CG-CD1 4.45Å
22A74.1Confident70.8Confident66 Ų6666.6 Ų66.655%0.54536%0.36SS..Hα-helixtrans-63.7-23.7178.600000113.8K18K18-A22 WeakPolarHBondContact O-CB 3.42Å; K18-A22 PolarHBondContact O-N 3.15Å
23K68.1Low71.6Confident104 Ų10460.4 Ų60.445%0.45233%0.334SS..Hα-helixtrans-81.7-18.8175.3-74.1170.1-173.11710113.5E19 A20 F21 K95E19-K23 WeakPolarHBondContact O-CB 3.1Å; E19-K23 WeakPolarHBondContact O-CD 3.37Å; E19-K23 WeakPolarHBondContact O-CG 3.42Å; E19-K23 PolarHBondContact O-N 2.97Å; E19-K23 VanDerWaalsContact O-N 3.13Å; E19-K23 IonicContact OE2-NZ 3.12Å; A20-K23 PolarHBondContact O-N 3.49Å; F21-K23 PolarHBondContact O-N 3.42Å; K23-K95 PolarHBondContact O-NZ 3.04Å
24I71.5Confident72.1Confident1 Ų160.1 Ų60.11%0.00533%0.332CS..Hα-helixtrans-96.1-36.5179.5-59.8164.6000110.2A20 F21 V26 I32 E36 L40 F72 F88 I92A20-I24 WeakPolarHBondContact O-CD1 3.07Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.37Å; A20-I24 PolarHBondContact O-N 3.23Å; F21-I24 PolarHBondContact O-N 3Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 2.84Å; I24-I32 HydrophobicContact CB-CD1 3.78Å; I24-I32 HydrophobicContact CB-CG1 4.12Å; I24-I32 HydrophobicContact CD1-CD1 4.21Å; I24-I32 HydrophobicContact CG2-CB 4.36Å; I24-I32 HydrophobicContact CG2-CD1 3.79Å; I24-I32 HydrophobicContact CG2-CG1 3.9Å; I24-I32 HydrophobicContact CG2-CG2 3.55Å; I24-E36 HydrophobicContact CG2-CB 4.41Å; I24-E36 WeakPolarHBondContact O-CB 3.34Å; I24-L40 HydrophobicContact CD1-CD2 3.77Å; I24-L40 HydrophobicContact CG1-CD1 4.38Å; I24-L40 HydrophobicContact CG1-CD2 3.96Å; I24-L40 HydrophobicContact CG2-CD2 4.46Å; I24-F72 HydrophobicContact CD1-CE2 3.85Å; I24-F72 HydrophobicContact CD1-CZ 4.13Å; I24-F88 HydrophobicContact CD1-CZ 3.98Å; I24-I92 HydrophobicContact CD1-CD1 3.97Å; I24-I92 HydrophobicContact CD1-CG1 4.18Å
25D77.5Confident72.2Confident15 Ų1563.2 Ų63.28%0.0835%0.349CS..  trans-71.683.8169.6-179.59.6000109.6F21 G28 N29 G30 I32F21-D25 WeakPolarHBondContact O-CB 3.47Å; F21-D25 PolarHBondContact O-N 2.74Å; D25-G28 PolarHBondContact O-N 2.96Å; D25-G28 VanDerWaalsContact OD1-CA 3.29Å; D25-G28 WeakPolarHBondContact OD1-CA 3.41Å; D25-G28 PolarHBondContact OD1-N 2.84Å; D25-N29 PolarHBondContact OD1-N 3.41Å; D25-N29 PolarHBondContact OD2-N 3.1Å; D25-G30 VanDerWaalsContact OD2-CA 3.23Å; D25-G30 WeakPolarHBondContact OD2-CA 3.44Å; D25-G30 PolarHBondContact OD2-N 2.94Å; D25-I32 HydrophobicContact CB-CG1 4.33Å
26V69.3Low72.6Confident93 Ų9359.1 Ų59.156%0.56433%0.33SS*.SBendtrans-73.9-32.6-173.3176.90000110.6I24 G28 E36I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 2.84Å; V26-G28 VanDerWaalsContact C-N 3.34Å; V26-E36 PolarHBondContact N-OE1 3.27Å
27D71.2Confident72.8Confident104 Ų10452.6 Ų52.656%0.55630%0.3SS*.SBendtrans-85.7-7.8178755.8000113.5N29 E36D27-N29 VanDerWaalsContact C-N 3.26Å; D27-N29 PolarHBondContact O-N 3.33Å; D27-N29 WeakPolarHBondContact OD1-CB 3.45Å; D27-N29 PolarHBondContact OD1-N 2.83Å; D27-N29 VanDerWaalsContact OD1-N 3.1Å; D27-N29 PolarHBondContact OD1-ND2 2.85Å; D27-N29 PolarHBondContact OD2-ND2 3.3Å; D27-E36 PolarHBondContact N-OE1 3.22Å
28G72.9Confident72.9Confident59 Ų5953.5 Ų53.561%0.60830%0.304SS*.  trans69.123.2173.800000113.1D25 V26 G30D25-G28 PolarHBondContact O-N 2.96Å; D25-G28 VanDerWaalsContact OD1-CA 3.29Å; D25-G28 WeakPolarHBondContact OD1-CA 3.41Å; D25-G28 PolarHBondContact OD1-N 2.84Å; V26-G28 VanDerWaalsContact C-N 3.34Å; G28-G30 PolarHBondContact O-N 3.35Å
29N75.2Confident72.7Confident59 Ų5952.8 Ų52.832%0.31630%0.302SS..SBendtrans-81.1-3.4-173.675.632000113.2D25 D27 F31D25-N29 PolarHBondContact OD1-N 3.41Å; D25-N29 PolarHBondContact OD2-N 3.1Å; D27-N29 VanDerWaalsContact C-N 3.26Å; D27-N29 PolarHBondContact O-N 3.33Å; D27-N29 WeakPolarHBondContact OD1-CB 3.45Å; D27-N29 PolarHBondContact OD1-N 2.83Å; D27-N29 VanDerWaalsContact OD1-N 3.1Å; D27-N29 PolarHBondContact OD1-ND2 2.85Å; D27-N29 PolarHBondContact OD2-ND2 3.3Å; N29-F31 VanDerWaalsContact O-CD2 3.28Å; N29-F31 WeakPolarHBondContact O-CD2 3.34Å; N29-F31 WeakPolarHBondContact OD1-CA 3.42Å; N29-F31 VanDerWaalsContact OD1-CB 3.29Å; N29-F31 WeakPolarHBondContact OD1-CB 3.35Å; N29-F31 WeakPolarHBondContact OD1-CD2 3.45Å; N29-F31 PolarHBondContact OD1-N 3.09Å; N29-F31 PolarHBondContact OD1-O 3.4Å
30G74.9Confident72.8Confident38 Ų3847.7 Ų47.739%0.39228%0.279SS..SBendtrans877-178.800000114.2F21 D25 G28F21-G30 WeakPolarHBondContact CZ-O 3.18Å; D25-G30 VanDerWaalsContact OD2-CA 3.23Å; D25-G30 WeakPolarHBondContact OD2-CA 3.44Å; D25-G30 PolarHBondContact OD2-N 2.94Å; G28-G30 PolarHBondContact O-N 3.35Å
31F79.9Confident72.7Confident87 Ų8747.7 Ų47.738%0.38228%0.276SS..SBendtrans-139.7140.2-178.6-53.2-93.9000111.1N29 R66 L67 T68N29-F31 VanDerWaalsContact O-CD2 3.28Å; N29-F31 WeakPolarHBondContact O-CD2 3.34Å; N29-F31 WeakPolarHBondContact OD1-CA 3.42Å; N29-F31 VanDerWaalsContact OD1-CB 3.29Å; N29-F31 WeakPolarHBondContact OD1-CB 3.35Å; N29-F31 WeakPolarHBondContact OD1-CD2 3.45Å; N29-F31 PolarHBondContact OD1-N 3.09Å; N29-F31 PolarHBondContact OD1-O 3.4Å; F31-R66 HydrophobicContact CB-CB 4.14Å; F31-L67 WeakPolarHBondContact CA-O 3.43Å; F31-T68 HydrophobicContact CD1-CG2 3.82Å; F31-T68 HydrophobicContact CE1-CG2 3.68Å
32I76.9Confident72.2Confident1 Ų156.8 Ų56.81%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-91.5121.3174.2-64.4167.9000110F21 I24 D25 E36 L37 R66 L67 F72F21-I32 HydrophobicContact CD2-CD1 3.33Å; F21-I32 HydrophobicContact CD2-CG1 4.01Å; F21-I32 HydrophobicContact CE2-CD1 3.49Å; F21-I32 VanDerWaalsContact CE2-CD1 3.49Å; F21-I32 HydrophobicContact CE2-CG1 3.73Å; F21-I32 HydrophobicContact CG-CD1 4.01Å; F21-I32 HydrophobicContact CZ-CD1 4.27Å; F21-I32 HydrophobicContact CZ-CG1 4.03Å; I24-I32 HydrophobicContact CB-CD1 3.78Å; I24-I32 HydrophobicContact CB-CG1 4.12Å; I24-I32 HydrophobicContact CD1-CD1 4.21Å; I24-I32 HydrophobicContact CG2-CB 4.36Å; I24-I32 HydrophobicContact CG2-CD1 3.79Å; I24-I32 HydrophobicContact CG2-CG1 3.9Å; I24-I32 HydrophobicContact CG2-CG2 3.55Å; D25-I32 HydrophobicContact CB-CG1 4.33Å; I32-E36 HydrophobicContact CG2-CB 4.44Å; I32-L37 HydrophobicContact CG2-CD1 3.8Å; I32-L37 HydrophobicContact CG2-CG 3.64Å; I32-R66 WeakPolarHBondContact O-CA 3.41Å; I32-L67 HydrophobicContact CB-CB 4.27Å; I32-L67 PolarHBondContact N-O 2.9Å; I32-L67 PolarHBondContact O-N 3.22Å; I32-F72 HydrophobicContact CD1-CD2 3.79Å; I32-F72 HydrophobicContact CD1-CE2 3.99Å; I32-F72 HydrophobicContact CD1-CG 4.47Å
33S76.2Confident71.5Confident27 Ų2754.9 Ų54.919%0.18930%0.295CS..EExtended strand (participates in β ladder)trans-86.3164.8176.769.30000113.3D35 E36 L37S33-D35 PolarHBondContact O-N 2.95Å; S33-E36 WeakPolarHBondContact CB-OE2 3.06Å; S33-E36 PolarHBondContact N-OE2 2.6Å; S33-E36 PolarHBondContact O-N 3.09Å; S33-E36 VanDerWaalsContact OG-CD 3.31Å; S33-E36 WeakPolarHBondContact OG-CG 3.41Å; S33-E36 PolarHBondContact OG-N 3.05Å; S33-E36 PolarHBondContact OG-OE2 3.26Å; S33-L37 PolarHBondContact O-N 3.17Å; S33-L37 VanDerWaalsContact O-N 3.08Å
34K71.1Confident71Confident67 Ų6750 Ų5029%0.29127%0.273SS..Hα-helixtrans-59.6-34.3173.5-76.2178.7173165.20113.3N38 V57 T61 D65K34-N38 WeakPolarHBondContact O-CB 3.12Å; K34-N38 PolarHBondContact O-N 3.13Å; K34-N38 PolarHBondContact O-ND2 3.2Å; K34-V57 HydrophobicContact CB-CG1 4.42Å; K34-V57 HydrophobicContact CG-CG1 4.14Å; K34-T61 HydrophobicContact CD-CG2 4.26Å; K34-T61 WeakPolarHBondContact CE-OG1 3.38Å; K34-T61 HydrophobicContact CG-CG2 3.63Å; K34-D65 VanDerWaalsContact CD-OD1 3.24Å; K34-D65 WeakPolarHBondContact CD-OD1 3.47Å; K34-D65 WeakPolarHBondContact CE-OD1 3.48Å; K34-D65 IonicContact NZ-OD1 3.4Å; K34-D65 PolarHBondContact NZ-OD1 3.31Å
35D69.9Low70.1Confident126 Ų12656 Ų5667%0.67431%0.306SS*.Hα-helixtrans-72.3-41.8-178.3-67.5-35.7000110.5S33 L37 N38 E39S33-D35 PolarHBondContact O-N 2.95Å; D35-L37 PolarHBondContact O-N 3.26Å; D35-N38 PolarHBondContact O-N 3.22Å; D35-E39 WeakPolarHBondContact O-CB 3.19Å; D35-E39 PolarHBondContact O-N 3.01Å
36E74.8Confident69Low13 Ų1356.7 Ų56.76%0.06131%0.309CS..Hα-helixtrans-65.5-37.1175-71.5165.4135.700113I24 V26 D27 I32 S33 E39 L40I24-E36 HydrophobicContact CG2-CB 4.41Å; I24-E36 WeakPolarHBondContact O-CB 3.34Å; V26-E36 PolarHBondContact N-OE1 3.27Å; D27-E36 PolarHBondContact N-OE1 3.22Å; I32-E36 HydrophobicContact CG2-CB 4.44Å; S33-E36 WeakPolarHBondContact CB-OE2 3.06Å; S33-E36 PolarHBondContact N-OE2 2.6Å; S33-E36 PolarHBondContact O-N 3.09Å; S33-E36 VanDerWaalsContact OG-CD 3.31Å; S33-E36 WeakPolarHBondContact OG-CG 3.41Å; S33-E36 PolarHBondContact OG-N 3.05Å; S33-E36 PolarHBondContact OG-OE2 3.26Å; E36-E39 PolarHBondContact O-N 3.21Å; E36-L40 WeakPolarHBondContact O-CB 3.18Å; E36-L40 PolarHBondContact O-N 3.35Å
37L70.8Confident67.9Low1 Ų157.5 Ų57.51%0.00533%0.326CS..Hα-helixtrans-64.2-44.6171.8-89.6155.8000112.2I32 S33 D35 E39 L40 F41 L60 L67 F88I32-L37 HydrophobicContact CG2-CD1 3.8Å; I32-L37 HydrophobicContact CG2-CG 3.64Å; S33-L37 PolarHBondContact O-N 3.17Å; S33-L37 VanDerWaalsContact O-N 3.08Å; D35-L37 PolarHBondContact O-N 3.26Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 2.88Å; L37-F41 HydrophobicContact CD2-CE2 4.44Å; L37-F41 WeakPolarHBondContact O-CD2 3.37Å; L37-F41 PolarHBondContact O-N 2.84Å; L37-L60 HydrophobicContact CD2-CD1 4.22Å; L37-L67 HydrophobicContact CD1-CD1 3.78Å; L37-F88 HydrophobicContact CD2-CE2 3.57Å; L37-F88 HydrophobicContact CD2-CZ 4.07Å
38N68.9Low67Low43 Ų4354.9 Ų54.923%0.2331%0.311CS..Hα-helixtrans-64.2-38.7176-84.3-54000111.6K34 D35 F41 R42K34-N38 WeakPolarHBondContact O-CB 3.12Å; K34-N38 PolarHBondContact O-N 3.13Å; K34-N38 PolarHBondContact O-ND2 3.2Å; D35-N38 PolarHBondContact O-N 3.22Å; N38-F41 PolarHBondContact O-N 2.78Å; N38-R42 WeakPolarHBondContact O-CB 3.5Å; N38-R42 WeakPolarHBondContact O-CG 3.5Å; N38-R42 PolarHBondContact O-N 3.17Å
39E70.6Confident66.4Low71 Ų7155 Ų5533%0.33230%0.301SS..Hα-helixtrans-65-43176.4-166.1179.2170.900111.5D35 E36 L37 F41 R42 A43D35-E39 WeakPolarHBondContact O-CB 3.19Å; D35-E39 PolarHBondContact O-N 3.01Å; E36-E39 PolarHBondContact O-N 3.21Å; L37-E39 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 3.4Å; E39-R42 PolarHBondContact O-N 2.73Å; E39-A43 VanDerWaalsContact O-CB 3.27Å; E39-A43 WeakPolarHBondContact O-CB 3.35Å; E39-A43 PolarHBondContact O-N 3.42Å
40L71.9Confident65.5Low1 Ų154.5 Ų54.51%0.00531%0.31CS..Hα-helixtrans-55.2-48.4173.4175.668.4000112I24 E36 L37 A43 A44 F88 A91 I92 K95I24-L40 HydrophobicContact CD1-CD2 3.77Å; I24-L40 HydrophobicContact CG1-CD1 4.38Å; I24-L40 HydrophobicContact CG1-CD2 3.96Å; I24-L40 HydrophobicContact CG2-CD2 4.46Å; E36-L40 WeakPolarHBondContact O-CB 3.18Å; E36-L40 PolarHBondContact O-N 3.35Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 2.88Å; L40-A43 PolarHBondContact O-N 2.62Å; L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.47Å; L40-A44 PolarHBondContact O-N 2.87Å; L40-F88 HydrophobicContact CD2-CD2 4.22Å; L40-F88 HydrophobicContact CD2-CE2 3.52Å; L40-F88 HydrophobicContact CD2-CZ 3.92Å; L40-A91 HydrophobicContact CG-CB 4.39Å; L40-I92 HydrophobicContact CD1-CG1 4.23Å; L40-I92 HydrophobicContact CD2-CG1 4.02Å; L40-K95 HydrophobicContact CD1-CB 4.37Å; L40-K95 HydrophobicContact CD1-CD 3.73Å
41F66.7Low65Low11 Ų1159.4 Ų59.45%0.04832%0.317CS..Hα-helixtrans-70.1-32.2-180-75.8-65000113.2L37 N38 E39 V53 I56 T87 F88 A91L37-F41 HydrophobicContact CD2-CE2 4.44Å; L37-F41 WeakPolarHBondContact O-CD2 3.37Å; L37-F41 PolarHBondContact O-N 2.84Å; N38-F41 PolarHBondContact O-N 2.78Å; E39-F41 PolarHBondContact O-N 3.4Å; F41-V53 HydrophobicContact CB-CG1 4.13Å; F41-V53 HydrophobicContact CD2-CG1 4.34Å; F41-V53 HydrophobicContact CG-CG1 4.41Å; F41-I56 HydrophobicContact CE2-CG2 3.98Å; F41-I56 HydrophobicContact CZ-CG2 3.77Å; F41-T87 HydrophobicContact CE1-CG2 4.5Å; F41-F88 HydrophobicContact CE1-CD2 4.03Å; F41-F88 HydrophobicContact CE2-CD2 4.07Å; F41-F88 HydrophobicContact CE2-CE2 4.32Å; F41-F88 AromaticContact CZ-CD2 3.46Å; F41-F88 HydrophobicContact CZ-CD2 3.46Å; F41-F88 VanDerWaalsContact CZ-CD2 3.46Å; F41-F88 HydrophobicContact CZ-CE2 4.16Å; F41-F88 HydrophobicContact CZ-CG 4.47Å; F41-A91 HydrophobicContact CD1-CB 4.09Å; F41-A91 HydrophobicContact CE1-CB 4.29Å
42R64.8Low64Low206 Ų20659 Ų5978%0.77732%0.316SS*.Hα-helixtrans-67.3-50.1172.1-77.1-179.9-179.1-169.22.9111.4N38 E39 A44 N45N38-R42 WeakPolarHBondContact O-CB 3.5Å; N38-R42 WeakPolarHBondContact O-CG 3.5Å; N38-R42 PolarHBondContact O-N 3.17Å; E39-R42 PolarHBondContact O-N 2.73Å; R42-A44 VanDerWaalsContact C-N 3.26Å; R42-A44 PolarHBondContact O-N 3.24Å; R42-N45 PolarHBondContact O-N 3.33Å
43A58.3Low63.3Low26 Ų2660.1 Ų60.122%0.21532%0.322CS..Hα-helixtrans-61.2-35.5179.500000112.1E39 L40 N45 I98E39-A43 VanDerWaalsContact O-CB 3.27Å; E39-A43 WeakPolarHBondContact O-CB 3.35Å; E39-A43 PolarHBondContact O-N 3.42Å; L40-A43 PolarHBondContact O-N 2.62Å; A43-N45 PolarHBondContact O-N 3.04Å; A43-I98 WeakPolarHBondContact O-CD1 3.16Å
44A56.8Low62.8Low0 Ų066.6 Ų66.60%034%0.343CS..THydrogen-bonded Turntrans-69.1-11.6176.300000114.9L40 R42 L46 A91 K94L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.47Å; L40-A44 PolarHBondContact O-N 2.87Å; R42-A44 VanDerWaalsContact C-N 3.26Å; R42-A44 PolarHBondContact O-N 3.24Å; A44-L46 HydrophobicContact CB-CD1 4.23Å; A44-L46 HydrophobicContact CB-CG 4.2Å; A44-L46 PolarHBondContact O-N 3.22Å; A44-L46 VanDerWaalsContact O-N 3.07Å; A44-A91 HydrophobicContact CB-CB 3.44Å; A44-A91 VanDerWaalsContact CB-CB 3.44Å; A44-K94 WeakPolarHBondContact O-CD 3.4Å; A44-K94 WeakPolarHBondContact O-CE 3.26Å; A44-K94 PolarHBondContact O-NZ 3.02Å
45N52.7Low62.6Low129 Ų12968.7 Ų68.769%0.6935%0.354SS*.THydrogen-bonded Turntrans40.950.9179.1-165.118.6000113.1R42 A43 K94R42-N45 PolarHBondContact O-N 3.33Å; A43-N45 PolarHBondContact O-N 3.04Å; N45-K94 PolarHBondContact O-NZ 3.13Å
46L55.9Low62.3Low29 Ų2963.5 Ų63.515%0.15233%0.325CS..  trans-88.1131.9173.1-68.4168.7000107.5A44 L48 T87 K90 A91A44-L46 HydrophobicContact CB-CD1 4.23Å; A44-L46 HydrophobicContact CB-CG 4.2Å; A44-L46 PolarHBondContact O-N 3.22Å; A44-L46 VanDerWaalsContact O-N 3.07Å; L46-L48 HydrophobicContact CB-CD1 4.18Å; L46-L48 HydrophobicContact CB-CG 4.25Å; L46-L48 PolarHBondContact O-N 2.78Å; L46-T87 HydrophobicContact CD1-CG2 3.96Å; L46-T87 WeakPolarHBondContact CD1-O 3.35Å; L46-K90 HydrophobicContact CD2-CD 3.69Å; L46-K90 HydrophobicContact CD2-CG 3.95Å; L46-A91 HydrophobicContact CD1-CB 3.8Å
47A45.2Very low61.9Low110 Ų11063.3 Ų63.391%0.90933%0.325SS*.  trans-69.873.6-179.600000111.3
48L53.3Low61.8Low48 Ų4869.7 Ų69.725%0.25136%0.355SS..  trans-114.3127.6177.2-63.7169.6000108.7L46 G50 V53 T87L46-L48 HydrophobicContact CB-CD1 4.18Å; L46-L48 HydrophobicContact CB-CG 4.25Å; L46-L48 PolarHBondContact O-N 2.78Å; L48-G50 PolarHBondContact O-N 3.06Å; L48-V53 HydrophobicContact CB-CG2 3.85Å; L48-V53 HydrophobicContact CD1-CG2 4.34Å; L48-T87 HydrophobicContact CD1-CG2 3.49Å; L48-T87 VanDerWaalsContact CD1-CG2 3.49Å; L48-T87 HydrophobicContact CD2-CG2 4.37Å; L48-T87 HydrophobicContact CG-CG2 4.43Å
49P58.8Low61.7Low62 Ų6272.3 Ų72.340%0.40337%0.366SS..  trans-54.7138.7170.4-24.933.4000111.1Y51 K52 V53P49-Y51 HydrophobicContact CB-CD1 3.45Å; P49-Y51 VanDerWaalsContact CB-CD1 3.45Å; P49-Y51 HydrophobicContact CB-CE1 3.23Å; P49-Y51 HydrophobicContact CB-CG 4.5Å; P49-Y51 HydrophobicContact CG-CE1 3.84Å; P49-Y51 PolarHBondContact O-N 2.78Å; P49-K52 WeakPolarHBondContact O-CB 3.44Å; P49-K52 PolarHBondContact O-N 3.21Å; P49-V53 PolarHBondContact O-N 3.33Å
50G57.6Low61.2Low48 Ų4869.9 Ų69.950%0.49536%0.355SS..Hα-helixtrans-61.6-11.6-175.200000115.7L48 R54L48-G50 PolarHBondContact O-N 3.06Å; G50-R54 PolarHBondContact O-NE 3.42Å
51Y64.4Low60.8Low141 Ų14170.5 Ų70.555%0.55336%0.359SS*.Hα-helixtrans-79-36.5169.776.6-92.1000112.1P49 R54 E55P49-Y51 HydrophobicContact CB-CD1 3.45Å; P49-Y51 VanDerWaalsContact CB-CD1 3.45Å; P49-Y51 HydrophobicContact CB-CE1 3.23Å; P49-Y51 HydrophobicContact CB-CG 4.5Å; P49-Y51 HydrophobicContact CG-CE1 3.84Å; P49-Y51 PolarHBondContact O-N 2.78Å; Y51-R54 PolarHBondContact O-N 2.83Å; Y51-E55 WeakPolarHBondContact O-CB 3.49Å; Y51-E55 PolarHBondContact O-N 3.05Å
52K59.3Low60.6Low79 Ų7976.9 Ų76.934%0.34339%0.387SS..Hα-helixtrans-67.7-38.1176.4-73.4-161.7174.6-172.40112P49 R54 E55 I56P49-K52 WeakPolarHBondContact O-CB 3.44Å; P49-K52 PolarHBondContact O-N 3.21Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 3.31Å; K52-E55 PolarHBondContact O-N 3.28Å; K52-I56 WeakPolarHBondContact O-CB 3.4Å; K52-I56 WeakPolarHBondContact O-CD1 3.4Å; K52-I56 WeakPolarHBondContact O-CG1 3.36Å; K52-I56 PolarHBondContact O-N 3.03Å
53V61.4Low60.3Low24 Ų2473 Ų7315%0.14539%0.386CS..Hα-helixtrans-62.8-42.4175-179.50000110.4F41 L48 P49 I56 V57F41-V53 HydrophobicContact CB-CG1 4.13Å; F41-V53 HydrophobicContact CD2-CG1 4.34Å; F41-V53 HydrophobicContact CG-CG1 4.41Å; L48-V53 HydrophobicContact CB-CG2 3.85Å; L48-V53 HydrophobicContact CD1-CG2 4.34Å; P49-V53 PolarHBondContact O-N 3.33Å; V53-I56 PolarHBondContact O-N 3.16Å; V53-V57 HydrophobicContact CG1-CG2 4.49Å; V53-V57 WeakPolarHBondContact O-CB 3.49Å; V53-V57 VanDerWaalsContact O-CG2 3.28Å; V53-V57 WeakPolarHBondContact O-CG2 3.16Å; V53-V57 PolarHBondContact O-N 3.02Å
54R65.4Low60.5Low163 Ų16373.7 Ų73.762%0.61539%0.389SS*.Hα-helixtrans-65.4-39.8175.1-79.9-176.3-81.8-171.2-3112.8G50 Y51 K52 V57 Q58G50-R54 PolarHBondContact O-NE 3.42Å; Y51-R54 PolarHBondContact O-N 2.83Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 3.31Å; R54-V57 PolarHBondContact O-N 3.18Å; R54-Q58 VanDerWaalsContact O-CB 3.25Å; R54-Q58 WeakPolarHBondContact O-CB 3.46Å; R54-Q58 VanDerWaalsContact O-CG 3.25Å; R54-Q58 WeakPolarHBondContact O-CG 3.48Å; R54-Q58 PolarHBondContact O-N 3.43Å
55E66.9Low60.9Low112 Ų11278.8 Ų78.852%0.52342%0.416SS..Hα-helixtrans-63.1-44.1175.4-171.4175.9-165.800111.2Y51 K52 Q58 E59Y51-E55 WeakPolarHBondContact O-CB 3.49Å; Y51-E55 PolarHBondContact O-N 3.05Å; K52-E55 PolarHBondContact O-N 3.28Å; E55-Q58 PolarHBondContact O-N 2.93Å; E55-E59 WeakPolarHBondContact O-CB 3.25Å; E55-E59 WeakPolarHBondContact O-CG 3.44Å; E55-E59 PolarHBondContact O-N 3.28Å
56I63.6Low61.8Low16 Ų1679.3 Ų79.38%0.08241%0.409CS..Hα-helixtrans-61.2-52.7174.1-68.3164.6000110F41 K52 V53 Q58 E59 L60 V84F41-I56 HydrophobicContact CE2-CG2 3.98Å; F41-I56 HydrophobicContact CZ-CG2 3.77Å; K52-I56 WeakPolarHBondContact O-CB 3.4Å; K52-I56 WeakPolarHBondContact O-CD1 3.4Å; K52-I56 WeakPolarHBondContact O-CG1 3.36Å; K52-I56 PolarHBondContact O-N 3.03Å; V53-I56 PolarHBondContact O-N 3.16Å; I56-Q58 VanDerWaalsContact C-N 3.29Å; I56-Q58 PolarHBondContact O-N 2.86Å; I56-E59 PolarHBondContact O-N 3.4Å; I56-L60 HydrophobicContact CG2-CD1 3.65Å; I56-L60 HydrophobicContact CG2-CG 4.2Å; I56-L60 WeakPolarHBondContact O-CB 3.5Å; I56-L60 WeakPolarHBondContact O-CG 3.27Å; I56-L60 PolarHBondContact O-N 3.39Å; I56-V84 HydrophobicContact CB-CG1 4.45Å; I56-V84 HydrophobicContact CG1-CG1 4.04Å; I56-V84 HydrophobicContact CG1-CG2 4.2Å; I56-V84 HydrophobicContact CG2-CG1 3.73Å
57V67.4Low62.7Low9 Ų978.3 Ų78.36%0.05540%0.403CS..Hα-helixtrans-60.1-39.8179.5172.10000111.6K34 V53 R54 L60 T61K34-V57 HydrophobicContact CB-CG1 4.42Å; K34-V57 HydrophobicContact CG-CG1 4.14Å; V53-V57 HydrophobicContact CG1-CG2 4.49Å; V53-V57 WeakPolarHBondContact O-CB 3.49Å; V53-V57 VanDerWaalsContact O-CG2 3.28Å; V53-V57 WeakPolarHBondContact O-CG2 3.16Å; V53-V57 PolarHBondContact O-N 3.02Å; R54-V57 PolarHBondContact O-N 3.18Å; V57-L60 PolarHBondContact O-N 3.09Å; V57-T61 WeakPolarHBondContact O-CG2 3.42Å; V57-T61 PolarHBondContact O-N 3.08Å; V57-T61 PolarHBondContact O-OG1 3.18Å; V57-T61 VanDerWaalsContact O-OG1 3.04Å
58Q68.6Low64.2Low136 Ų13674.7 Ų74.764%0.63637%0.37SS*.Hα-helixtrans-67.9-38.6176.2-79.3179.5-11.100113.1R54 E55 I56 L60 K62R54-Q58 VanDerWaalsContact O-CB 3.25Å; R54-Q58 WeakPolarHBondContact O-CB 3.46Å; R54-Q58 VanDerWaalsContact O-CG 3.25Å; R54-Q58 WeakPolarHBondContact O-CG 3.48Å; R54-Q58 PolarHBondContact O-N 3.43Å; E55-Q58 PolarHBondContact O-N 2.93Å; I56-Q58 VanDerWaalsContact C-N 3.29Å; I56-Q58 PolarHBondContact O-N 2.86Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-K62 WeakPolarHBondContact O-CG 3.49Å
59E65.6Low65.3Low98 Ų9874.4 Ų74.446%0.45837%0.367SS..Hα-helixtrans-63-38.3172.1-78-128.5119.400112.1E55 I56 K62E55-E59 WeakPolarHBondContact O-CB 3.25Å; E55-E59 WeakPolarHBondContact O-CG 3.44Å; E55-E59 PolarHBondContact O-N 3.28Å; I56-E59 PolarHBondContact O-N 3.4Å; E59-K62 WeakPolarHBondContact O-CG 3.29Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 PolarHBondContact OE1-NZ 2.85Å
60L60.3Low65.9Low20 Ų2077.5 Ų77.511%0.10538%0.376CS..Hα-helixtrans-73.7-29.3-177.5-68.4178.5000112.8L37 I56 V57 Q58 L67 M75 L79L37-L60 HydrophobicContact CD2-CD1 4.22Å; I56-L60 HydrophobicContact CG2-CD1 3.65Å; I56-L60 HydrophobicContact CG2-CG 4.2Å; I56-L60 WeakPolarHBondContact O-CB 3.5Å; I56-L60 WeakPolarHBondContact O-CG 3.27Å; I56-L60 PolarHBondContact O-N 3.39Å; V57-L60 PolarHBondContact O-N 3.09Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; L60-L67 WeakPolarHBondContact O-CD2 3.17Å; L60-M75 HydrophobicContact CD1-SD 4.43Å; L60-M75 HydrophobicContact CD2-CG 3.79Å; L60-M75 HydrophobicContact CD2-SD 3.35Å; L60-M75 WeakPolarHBondContact CD2-SD 3.47Å; L60-M75 HydrophobicContact CG-SD 4.36Å; L60-L79 HydrophobicContact CD2-CD1 4.46Å
61T63.2Low66.6Low14 Ų1478.1 Ų78.19%0.08637%0.366CS..THydrogen-bonded Turntrans-106.831.8-178.764.80000114.1K34 V57 T63 S64K34-T61 HydrophobicContact CD-CG2 4.26Å; K34-T61 WeakPolarHBondContact CE-OG1 3.38Å; K34-T61 HydrophobicContact CG-CG2 3.63Å; V57-T61 WeakPolarHBondContact O-CG2 3.42Å; V57-T61 PolarHBondContact O-N 3.08Å; V57-T61 PolarHBondContact O-OG1 3.18Å; V57-T61 VanDerWaalsContact O-OG1 3.04Å; T61-T63 VanDerWaalsContact C-N 3.31Å; T61-T63 PolarHBondContact O-N 3.39Å; T61-S64 CarbonylContact C-O 3.51Å; T61-S64 WeakPolarHBondContact CA-O 3.47Å; T61-S64 VanDerWaalsContact CB-O 3.32Å; T61-S64 WeakPolarHBondContact CB-O 3.44Å
62K63.8Low66.9Low145 Ų14571.5 Ų71.563%0.6334%0.34SS*.SBendtrans-65.4-30.4-175.7-83.6175.7177.1160.70113.7Q58 E59Q58-K62 WeakPolarHBondContact O-CG 3.49Å; E59-K62 WeakPolarHBondContact O-CG 3.29Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 PolarHBondContact OE1-NZ 2.85Å
63T58.3Low67.5Low124 Ų12468.3 Ų68.376%0.76133%0.328SS*.SBendtrans-100.6-27.5-174.128.40000113.7T61T61-T63 VanDerWaalsContact C-N 3.31Å; T61-T63 PolarHBondContact O-N 3.39Å
64S61.4Low67.8Low41 Ų4174.2 Ų74.229%0.28735%0.354SS..  trans-157.7159.1-177.957.10000110.8T61 R66T61-S64 CarbonylContact C-O 3.51Å; T61-S64 WeakPolarHBondContact CA-O 3.47Å; T61-S64 VanDerWaalsContact CB-O 3.32Å; T61-S64 WeakPolarHBondContact CB-O 3.44Å; S64-R66 PolarHBondContact O-N 3.14Å; S64-R66 PolarHBondContact OG-O 3.06Å
65D65.2Low67.7Low106 Ų10667.7 Ų67.757%0.56733%0.33SS*.SBendtrans-78.7-3.2178.5-141.625.7000113.2K34K34-D65 VanDerWaalsContact CD-OD1 3.24Å; K34-D65 WeakPolarHBondContact CD-OD1 3.47Å; K34-D65 WeakPolarHBondContact CE-OD1 3.48Å; K34-D65 IonicContact NZ-OD1 3.4Å; K34-D65 PolarHBondContact NZ-OD1 3.31Å
66R71.4Confident67.6Low141 Ų14163 Ų6353%0.53231%0.309SS..EExtended strand (participates in β ladder)trans-145.8135.6-175.1-61.7-175.5-179.3-162.9-4.9110F31 I32 S64F31-R66 HydrophobicContact CB-CB 4.14Å; I32-R66 WeakPolarHBondContact O-CA 3.41Å; S64-R66 PolarHBondContact O-N 3.14Å; S64-R66 PolarHBondContact OG-O 3.06Å
67L74.9Confident67.5Low7 Ų764 Ų644%0.03731%0.313CS..EExtended strand (participates in β ladder)trans-96.1126.6-179.7-65.5175.7000111.5F31 I32 L37 L60 E71 M75F31-L67 WeakPolarHBondContact CA-O 3.43Å; I32-L67 HydrophobicContact CB-CB 4.27Å; I32-L67 PolarHBondContact N-O 2.9Å; I32-L67 PolarHBondContact O-N 3.22Å; L37-L67 HydrophobicContact CD1-CD1 3.78Å; L60-L67 WeakPolarHBondContact O-CD2 3.17Å; L67-E71 HydrophobicContact CD2-CB 4.43Å; L67-M75 HydrophobicContact CD1-SD 4.41Å
68T77.5Confident67.1Low35 Ų3566.5 Ų66.522%0.21534%0.341CS..  trans-77163.5168.356.10000111.8F31 E70 E71 F72F31-T68 HydrophobicContact CD1-CG2 3.82Å; F31-T68 HydrophobicContact CE1-CG2 3.68Å; T68-E70 VanDerWaalsContact C-N 3.3Å; T68-E70 PolarHBondContact O-N 3.27Å; T68-E71 PolarHBondContact N-OE2 2.92Å; T68-E71 PolarHBondContact O-N 2.91Å; T68-E71 WeakPolarHBondContact OG1-CB 3.36Å; T68-E71 WeakPolarHBondContact OG1-CG 3.32Å; T68-E71 PolarHBondContact OG1-N 3.32Å; T68-E71 PolarHBondContact OG1-OE2 3.42Å; T68-F72 WeakPolarHBondContact O-CB 3.38Å; T68-F72 PolarHBondContact O-N 3.05Å
69F75.9Confident66.4Low41 Ų4162.4 Ų62.418%0.1832%0.323CS..Hα-helixtrans-60-41.2176.2179-108.5000111.7L17 K18 F21 F72 T73L17-F69 HydrophobicContact CB-CE2 4.43Å; K18-F69 HydrophobicContact CB-CE2 4.18Å; K18-F69 HydrophobicContact CB-CZ 4.27Å; K18-F69 HydrophobicContact CD-CZ 4.37Å; K18-F69 HydrophobicContact CG-CE1 3.97Å; K18-F69 HydrophobicContact CG-CE2 3.57Å; K18-F69 HydrophobicContact CG-CZ 3.24Å; F21-F69 HydrophobicContact CB-CD2 3.78Å; F21-F69 HydrophobicContact CB-CE2 4.12Å; F21-F69 HydrophobicContact CD1-CB 4.46Å; F21-F69 HydrophobicContact CD1-CD2 4.14Å; F21-F69 HydrophobicContact CD2-CB 4.36Å; F21-F69 AromaticContact CD2-CD2 3.91Å; F21-F69 HydrophobicContact CD2-CD2 3.91Å; F21-F69 HydrophobicContact CE1-CB 4.27Å; F21-F69 HydrophobicContact CE2-CB 4.17Å; F21-F69 AromaticContact CG-CD2 3.68Å; F21-F69 HydrophobicContact CG-CD2 3.68Å; F21-F69 HydrophobicContact CZ-CB 4.12Å; F69-F72 PolarHBondContact O-N 2.69Å; F69-T73 HydrophobicContact CD1-CG2 4.3Å; F69-T73 HydrophobicContact CD2-CG2 4.23Å; F69-T73 HydrophobicContact CE1-CG2 3.78Å; F69-T73 HydrophobicContact CE2-CG2 3.67Å; F69-T73 HydrophobicContact CZ-CG2 3.41Å; F69-T73 VanDerWaalsContact CZ-CG2 3.41Å; F69-T73 VanDerWaalsContact O-CG2 3.32Å; F69-T73 WeakPolarHBondContact O-CG2 3.33Å; F69-T73 PolarHBondContact O-N 3.45Å; F69-T73 PolarHBondContact O-OG1 2.96Å
70E71.8Confident65.7Low127 Ų12762.4 Ų62.459%0.59332%0.322SS*.Hα-helixtrans-61.3-47.1176.6-66.974.9-163.700111.3T68 F72 T73 E74T68-E70 VanDerWaalsContact C-N 3.3Å; T68-E70 PolarHBondContact O-N 3.27Å; E70-F72 VanDerWaalsContact C-N 3.35Å; E70-F72 PolarHBondContact O-N 3.5Å; E70-T73 PolarHBondContact O-N 3.45Å; E70-T73 PolarHBondContact O-OG1 3.42Å; E70-E74 PolarHBondContact O-N 3.23Å
71E71.8Confident65.4Low62 Ų6266.9 Ų66.929%0.2936%0.355SS..Hα-helixtrans-63.8-38.3176.2-71.2167.2141.900112.3L67 T68 M75L67-E71 HydrophobicContact CD2-CB 4.43Å; T68-E71 PolarHBondContact N-OE2 2.92Å; T68-E71 PolarHBondContact O-N 2.91Å; T68-E71 WeakPolarHBondContact OG1-CB 3.36Å; T68-E71 WeakPolarHBondContact OG1-CG 3.32Å; T68-E71 PolarHBondContact OG1-N 3.32Å; T68-E71 PolarHBondContact OG1-OE2 3.42Å; E71-M75 WeakPolarHBondContact O-CB 3.29Å; E71-M75 PolarHBondContact O-N 3.35Å
72F71.5Confident65.2Low1 Ų168.1 Ų68.10%0.00436%0.364CS..Hα-helixtrans-64.1-42.5175.5175.6-95.3000112.1L17 A20 F21 I24 I32 T68 F69 E70 M75 V76 F88L17-F72 HydrophobicContact CB-CE1 4.44Å; L17-F72 HydrophobicContact CD2-CE1 4Å; L17-F72 WeakPolarHBondContact O-CE1 3.34Å; A20-F72 HydrophobicContact CB-CE1 4.39Å; A20-F72 HydrophobicContact CB-CZ 4.14Å; F21-F72 HydrophobicContact CB-CD1 4.15Å; F21-F72 HydrophobicContact CB-CE1 4.08Å; F21-F72 HydrophobicContact CD2-CB 3.65Å; F21-F72 AromaticContact CD2-CD1 3.76Å; F21-F72 HydrophobicContact CD2-CD1 3.76Å; F21-F72 HydrophobicContact CD2-CD2 4.05Å; F21-F72 HydrophobicContact CD2-CE1 4.38Å; F21-F72 AromaticContact CD2-CG 3.57Å; F21-F72 HydrophobicContact CD2-CG 3.57Å; F21-F72 HydrophobicContact CE2-CB 3.82Å; F21-F72 HydrophobicContact CE2-CG 4.21Å; F21-F72 HydrophobicContact CG-CD1 4.45Å; I24-F72 HydrophobicContact CD1-CE2 3.85Å; I24-F72 HydrophobicContact CD1-CZ 4.13Å; I32-F72 HydrophobicContact CD1-CD2 3.79Å; I32-F72 HydrophobicContact CD1-CE2 3.99Å; I32-F72 HydrophobicContact CD1-CG 4.47Å; T68-F72 WeakPolarHBondContact O-CB 3.38Å; T68-F72 PolarHBondContact O-N 3.05Å; F69-F72 PolarHBondContact O-N 2.69Å; E70-F72 VanDerWaalsContact C-N 3.35Å; E70-F72 PolarHBondContact O-N 3.5Å; F72-M75 HydrophobicContact CD2-CE 3.54Å; F72-M75 HydrophobicContact CE2-CE 3.85Å; F72-M75 HydrophobicContact CG-CE 4.26Å; F72-M75 WeakPolarHBondContact O-CB 3.35Å; F72-M75 PolarHBondContact O-N 2.68Å; F72-V76 HydrophobicContact CE1-CG2 4.21Å; F72-V76 HydrophobicContact CE2-CG2 4.36Å; F72-V76 HydrophobicContact CZ-CG2 4.13Å; F72-V76 WeakPolarHBondContact O-CG2 3.5Å; F72-V76 PolarHBondContact O-N 3.31Å; F72-F88 AromaticContact CE2-CE1 3.68Å; F72-F88 HydrophobicContact CE2-CE1 3.68Å; F72-F88 AromaticContact CE2-CZ 3.87Å; F72-F88 HydrophobicContact CE2-CZ 3.87Å; F72-F88 HydrophobicContact CZ-CE1 4.23Å
73T70.6Confident64.8Low13 Ų1368.4 Ų68.48%0.0837%0.367CS..Hα-helixtrans-68.4-42.3177.659.80000112.1L17 F69 E70 M75 V76 H77L17-T73 HydrophobicContact CB-CG2 4.16Å; L17-T73 HydrophobicContact CD1-CG2 4.07Å; F69-T73 HydrophobicContact CD1-CG2 4.3Å; F69-T73 HydrophobicContact CD2-CG2 4.23Å; F69-T73 HydrophobicContact CE1-CG2 3.78Å; F69-T73 HydrophobicContact CE2-CG2 3.67Å; F69-T73 HydrophobicContact CZ-CG2 3.41Å; F69-T73 VanDerWaalsContact CZ-CG2 3.41Å; F69-T73 VanDerWaalsContact O-CG2 3.32Å; F69-T73 WeakPolarHBondContact O-CG2 3.33Å; F69-T73 PolarHBondContact O-N 3.45Å; F69-T73 PolarHBondContact O-OG1 2.96Å; E70-T73 PolarHBondContact O-N 3.45Å; E70-T73 PolarHBondContact O-OG1 3.42Å; T73-M75 VanDerWaalsContact C-N 3.29Å; T73-M75 PolarHBondContact O-N 2.91Å; T73-V76 PolarHBondContact O-N 2.91Å; T73-H77 WeakPolarHBondContact O-CB 3.43Å; T73-H77 PolarHBondContact O-N 2.92Å
74E67.7Low64.7Low148 Ų14863.9 Ų63.969%0.69234%0.339SS*.Hα-helixtrans-62.6-36.4173.5-76.1-168.2168.300111.8E70 G78E70-E74 PolarHBondContact O-N 3.23Å; E74-G78 WeakPolarHBondContact O-CA 3.29Å; E74-G78 PolarHBondContact O-N 3.33Å
75M65.1Low64.5Low26 Ų2662.2 Ų62.213%0.12833%0.328CS..Hα-helixtrans-65-53.1175.9174.3-158.773.400112.2L60 L67 E71 F72 T73 H77 G78 L79 F88L60-M75 HydrophobicContact CD1-SD 4.43Å; L60-M75 HydrophobicContact CD2-CG 3.79Å; L60-M75 HydrophobicContact CD2-SD 3.35Å; L60-M75 WeakPolarHBondContact CD2-SD 3.47Å; L60-M75 HydrophobicContact CG-SD 4.36Å; L67-M75 HydrophobicContact CD1-SD 4.41Å; E71-M75 WeakPolarHBondContact O-CB 3.29Å; E71-M75 PolarHBondContact O-N 3.35Å; F72-M75 HydrophobicContact CD2-CE 3.54Å; F72-M75 HydrophobicContact CE2-CE 3.85Å; F72-M75 HydrophobicContact CG-CE 4.26Å; F72-M75 WeakPolarHBondContact O-CB 3.35Å; F72-M75 PolarHBondContact O-N 2.68Å; T73-M75 VanDerWaalsContact C-N 3.29Å; T73-M75 PolarHBondContact O-N 2.91Å; M75-H77 PolarHBondContact O-N 3.11Å; M75-G78 PolarHBondContact O-N 3.36Å; M75-L79 HydrophobicContact CG-CD1 3.85Å; M75-L79 WeakPolarHBondContact O-CB 3.23Å; M75-L79 WeakPolarHBondContact O-CG 3.28Å; M75-L79 PolarHBondContact O-N 3.16Å; M75-L79 VanDerWaalsContact O-N 3.17Å; M75-F88 HydrophobicContact CE-CD1 4.16Å; M75-F88 HydrophobicContact CE-CE1 3.6Å; M75-F88 HydrophobicContact CE-CZ 4.03Å
76V63.1Low64.4Low12 Ų1264.3 Ų64.37%0.07333%0.332CS..Hα-helixtrans-65-27.8-179.1178.20000111.3L17 F72 T73 F88 R89L17-V76 HydrophobicContact CD2-CB 3.78Å; L17-V76 HydrophobicContact CD2-CG1 3.61Å; L17-V76 HydrophobicContact CD2-CG2 3.96Å; F72-V76 HydrophobicContact CE1-CG2 4.21Å; F72-V76 HydrophobicContact CE2-CG2 4.36Å; F72-V76 HydrophobicContact CZ-CG2 4.13Å; F72-V76 WeakPolarHBondContact O-CG2 3.5Å; F72-V76 PolarHBondContact O-N 3.31Å; T73-V76 PolarHBondContact O-N 2.91Å; V76-F88 HydrophobicContact CG2-CE1 4.38Å; V76-R89 VanDerWaalsContact CG1-NH2 3.33Å; V76-R89 PolarHBondContact O-NH2 3.21Å; V76-R89 VanDerWaalsContact O-NH2 3.16Å
77H63.2Low64Low38 Ų3858.9 Ų58.918%0.17632%0.315CS..Hα-helixtrans-86-43178.7-164.1-75.6000113.3T73 M75 L79 K80T73-H77 WeakPolarHBondContact O-CB 3.43Å; T73-H77 PolarHBondContact O-N 2.92Å; M75-H77 PolarHBondContact O-N 3.11Å; H77-L79 VanDerWaalsContact C-N 3.32Å; H77-L79 PolarHBondContact O-N 3.44Å; H77-K80 PolarHBondContact CD2-NZ 2.95Å; H77-K80 VanDerWaalsContact CD2-NZ 3.29Å; H77-K80 PolarHBondContact NE2-NZ 3.32Å; H77-K80 VanDerWaalsContact O-CG 3.3Å; H77-K80 WeakPolarHBondContact O-CG 3.19Å; H77-K80 PolarHBondContact O-N 2.92Å
78G57.6Low63.4Low61 Ų6159 Ų5963%0.62932%0.315SS*.Hα-helixtrans-70.1-25.9-178.300000113.6E74 M75E74-G78 WeakPolarHBondContact O-CA 3.29Å; E74-G78 PolarHBondContact O-N 3.33Å; M75-G78 PolarHBondContact O-N 3.36Å
79L54.7Low62.8Low50 Ų5062.2 Ų62.226%0.26232%0.323SS..THydrogen-bonded Turntrans-93.316.8179-65.8169.6000114L60 M75 H77 S81 S82 A85L60-L79 HydrophobicContact CD2-CD1 4.46Å; M75-L79 HydrophobicContact CG-CD1 3.85Å; M75-L79 WeakPolarHBondContact O-CB 3.23Å; M75-L79 WeakPolarHBondContact O-CG 3.28Å; M75-L79 PolarHBondContact O-N 3.16Å; M75-L79 VanDerWaalsContact O-N 3.17Å; H77-L79 VanDerWaalsContact C-N 3.32Å; H77-L79 PolarHBondContact O-N 3.44Å; L79-S81 PolarHBondContact O-N 3.44Å; L79-S82 PolarHBondContact O-N 3.37Å; L79-A85 HydrophobicContact CB-CB 3.57Å; L79-A85 VanDerWaalsContact O-CB 3.23Å; L79-A85 WeakPolarHBondContact O-CB 3.44Å
80K51.3Low62.2Low99 Ų9966.6 Ų66.643%0.4334%0.342SS..THydrogen-bonded Turntrans-53.2-9.1-176.5-88.4178.9174-178.90115.1E13 H77E13-K80 IonicContact OE1-NZ 2.77Å; H77-K80 PolarHBondContact CD2-NZ 2.95Å; H77-K80 VanDerWaalsContact CD2-NZ 3.29Å; H77-K80 PolarHBondContact NE2-NZ 3.32Å; H77-K80 VanDerWaalsContact O-CG 3.3Å; H77-K80 WeakPolarHBondContact O-CG 3.19Å; H77-K80 PolarHBondContact O-N 2.92Å
81S53.4Low61.9Low114 Ų11460.6 Ų60.680%0.79731%0.314SS*.THydrogen-bonded Turntrans-122.11.7174.853.10000116.4L79L79-S81 PolarHBondContact O-N 3.44Å
82S58Low61.4Low39 Ų3959 Ų5927%0.27331%0.308SS..SBendtrans-91.2143.3-180174.50000112.5L79 V84 A85L79-S82 PolarHBondContact O-N 3.37Å; S82-V84 PolarHBondContact O-N 3.08Å; S82-V84 VanDerWaalsContact O-N 3.15Å; S82-V84 PolarHBondContact OG-N 2.84Å; S82-A85 PolarHBondContact O-N 3.12Å
83E56.1Low60.8Low152 Ų15264.2 Ų64.271%0.7134%0.335SS*.Hα-helixtrans-56.2-27.2173.4-163174.9173.800112T87E83-T87 WeakPolarHBondContact O-CB 3.29Å; E83-T87 PolarHBondContact O-N 3.47Å; E83-T87 VanDerWaalsContact O-N 3.13Å; E83-T87 PolarHBondContact O-OG1 3.14Å
84V56.4Low60.3Low28 Ų2867.7 Ų67.717%0.1735%0.349CS..Hα-helixtrans-65.8-44.9177.7-179.20000112I56 S82 T87 F88I56-V84 HydrophobicContact CB-CG1 4.45Å; I56-V84 HydrophobicContact CG1-CG1 4.04Å; I56-V84 HydrophobicContact CG1-CG2 4.2Å; I56-V84 HydrophobicContact CG2-CG1 3.73Å; S82-V84 PolarHBondContact O-N 3.08Å; S82-V84 VanDerWaalsContact O-N 3.15Å; S82-V84 PolarHBondContact OG-N 2.84Å; V84-T87 WeakPolarHBondContact O-CB 3.36Å; V84-T87 PolarHBondContact O-N 3.12Å; V84-F88 WeakPolarHBondContact O-CB 3.38Å; V84-F88 PolarHBondContact O-N 3.2Å
85A58.3Low59.6Low7 Ų762.6 Ų62.66%0.05833%0.325CS..Hα-helixtrans-70.9-34.4-179.500000113.3L79 S82 T87 F88 R89L79-A85 HydrophobicContact CB-CB 3.57Å; L79-A85 VanDerWaalsContact O-CB 3.23Å; L79-A85 WeakPolarHBondContact O-CB 3.44Å; S82-A85 PolarHBondContact O-N 3.12Å; A85-T87 VanDerWaalsContact C-N 3.31Å; A85-F88 PolarHBondContact O-N 2.81Å; A85-R89 PolarHBondContact O-N 3.47Å
86K61.6Low58.7Low150 Ų15068.4 Ų68.465%0.65235%0.352SS*.Hα-helixtrans-63.3-42172.8-68.5-177.1-178.8176.90110.9K90K86-K90 WeakPolarHBondContact O-CB 3.31Å; K86-K90 PolarHBondContact O-N 3.37Å; K86-K90 VanDerWaalsContact O-N 3.13Å
87T62.8Low57.7Low27 Ų2770.3 Ų70.317%0.16637%0.374CS..Hα-helixtrans-66.4-41.9177.8-57.40000111.5F41 L46 L48 E83 V84 A85 K90 A91F41-T87 HydrophobicContact CE1-CG2 4.5Å; L46-T87 HydrophobicContact CD1-CG2 3.96Å; L46-T87 WeakPolarHBondContact CD1-O 3.35Å; L48-T87 HydrophobicContact CD1-CG2 3.49Å; L48-T87 VanDerWaalsContact CD1-CG2 3.49Å; L48-T87 HydrophobicContact CD2-CG2 4.37Å; L48-T87 HydrophobicContact CG-CG2 4.43Å; E83-T87 WeakPolarHBondContact O-CB 3.29Å; E83-T87 PolarHBondContact O-N 3.47Å; E83-T87 VanDerWaalsContact O-N 3.13Å; E83-T87 PolarHBondContact O-OG1 3.14Å; V84-T87 WeakPolarHBondContact O-CB 3.36Å; V84-T87 PolarHBondContact O-N 3.12Å; A85-T87 VanDerWaalsContact C-N 3.31Å; T87-K90 PolarHBondContact O-N 2.88Å; T87-A91 PolarHBondContact O-N 3.38Å
88F63.8Low56.8Low8 Ų870.5 Ų70.54%0.03538%0.375CS..Hα-helixtrans-64.6-47.6177.4-169.5-110.1000113I24 L37 L40 F41 F72 M75 V76 V84 A85 K90 A91 I92I24-F88 HydrophobicContact CD1-CZ 3.98Å; L37-F88 HydrophobicContact CD2-CE2 3.57Å; L37-F88 HydrophobicContact CD2-CZ 4.07Å; L40-F88 HydrophobicContact CD2-CD2 4.22Å; L40-F88 HydrophobicContact CD2-CE2 3.52Å; L40-F88 HydrophobicContact CD2-CZ 3.92Å; F41-F88 HydrophobicContact CE1-CD2 4.03Å; F41-F88 HydrophobicContact CE2-CD2 4.07Å; F41-F88 HydrophobicContact CE2-CE2 4.32Å; F41-F88 AromaticContact CZ-CD2 3.46Å; F41-F88 HydrophobicContact CZ-CD2 3.46Å; F41-F88 VanDerWaalsContact CZ-CD2 3.46Å; F41-F88 HydrophobicContact CZ-CE2 4.16Å; F41-F88 HydrophobicContact CZ-CG 4.47Å; F72-F88 AromaticContact CE2-CE1 3.68Å; F72-F88 HydrophobicContact CE2-CE1 3.68Å; F72-F88 AromaticContact CE2-CZ 3.87Å; F72-F88 HydrophobicContact CE2-CZ 3.87Å; F72-F88 HydrophobicContact CZ-CE1 4.23Å; M75-F88 HydrophobicContact CE-CD1 4.16Å; M75-F88 HydrophobicContact CE-CE1 3.6Å; M75-F88 HydrophobicContact CE-CZ 4.03Å; V76-F88 HydrophobicContact CG2-CE1 4.38Å; V84-F88 WeakPolarHBondContact O-CB 3.38Å; V84-F88 PolarHBondContact O-N 3.2Å; A85-F88 PolarHBondContact O-N 2.81Å; F88-K90 VanDerWaalsContact C-N 3.3Å; F88-K90 PolarHBondContact O-N 2.95Å; F88-A91 VanDerWaalsContact O-CB 3.32Å; F88-A91 WeakPolarHBondContact O-CB 3.41Å; F88-A91 PolarHBondContact O-N 3.49Å; F88-I92 HydrophobicContact CD1-CD1 3.83Å; F88-I92 HydrophobicContact CE1-CD1 3.53Å; F88-I92 HydrophobicContact CE1-CG1 4.5Å; F88-I92 HydrophobicContact CZ-CD1 4.1Å; F88-I92 PolarHBondContact O-N 2.68Å; F88-I92 VanDerWaalsContact O-N 3.12Å
89R64.1Low55.9Low103 Ų10370.8 Ų70.839%0.38937%0.367SS..Hα-helixtrans-60.5-39.7175.1-75.7-174.2-178135.67.7112.4V76 A85 A91 I92 N93V76-R89 VanDerWaalsContact CG1-NH2 3.33Å; V76-R89 PolarHBondContact O-NH2 3.21Å; V76-R89 VanDerWaalsContact O-NH2 3.16Å; A85-R89 PolarHBondContact O-N 3.47Å; R89-A91 PolarHBondContact O-N 2.96Å; R89-I92 PolarHBondContact O-N 3.14Å; R89-N93 PolarHBondContact O-N 2.75Å; R89-N93 PolarHBondContact O-OD1 2.88Å
90K64.3Low54.9Low134 Ų13472.2 Ų72.258%0.58338%0.375SS*.Hα-helixtrans-63-32.4175.2-167177.2177.9177.40112L46 K86 T87 F88 K94L46-K90 HydrophobicContact CD2-CD 3.69Å; L46-K90 HydrophobicContact CD2-CG 3.95Å; K86-K90 WeakPolarHBondContact O-CB 3.31Å; K86-K90 PolarHBondContact O-N 3.37Å; K86-K90 VanDerWaalsContact O-N 3.13Å; T87-K90 PolarHBondContact O-N 2.88Å; F88-K90 VanDerWaalsContact C-N 3.3Å; F88-K90 PolarHBondContact O-N 2.95Å; K90-K94 WeakPolarHBondContact O-CB 3.34Å; K90-K94 PolarHBondContact O-N 3.42Å
91A63.9Low54.2Low0 Ų071.7 Ų71.70%038%0.38CS..Hα-helixtrans-69.4-44.4176.900000112.3L40 F41 A44 L46 T87 F88 R89 K94 K95L40-A91 HydrophobicContact CG-CB 4.39Å; F41-A91 HydrophobicContact CD1-CB 4.09Å; F41-A91 HydrophobicContact CE1-CB 4.29Å; A44-A91 HydrophobicContact CB-CB 3.44Å; A44-A91 VanDerWaalsContact CB-CB 3.44Å; L46-A91 HydrophobicContact CD1-CB 3.8Å; T87-A91 PolarHBondContact O-N 3.38Å; F88-A91 VanDerWaalsContact O-CB 3.32Å; F88-A91 WeakPolarHBondContact O-CB 3.41Å; F88-A91 PolarHBondContact O-N 3.49Å; R89-A91 PolarHBondContact O-N 2.96Å; A91-K94 PolarHBondContact O-N 3.03Å; A91-K95 PolarHBondContact O-N 3.4Å
92I61.2Low53.1Low30 Ų3070.6 Ų70.615%0.15438%0.378CS..Hα-helixtrans-62.1-48.5177.5-64.1170.4000110.8A20 I24 L40 F88 R89 K94 K95A20-I92 HydrophobicContact CB-CD1 4.39Å; A20-I92 HydrophobicContact CB-CG2 4.31Å; I24-I92 HydrophobicContact CD1-CD1 3.97Å; I24-I92 HydrophobicContact CD1-CG1 4.18Å; L40-I92 HydrophobicContact CD1-CG1 4.23Å; L40-I92 HydrophobicContact CD2-CG1 4.02Å; F88-I92 HydrophobicContact CD1-CD1 3.83Å; F88-I92 HydrophobicContact CE1-CD1 3.53Å; F88-I92 HydrophobicContact CE1-CG1 4.5Å; F88-I92 HydrophobicContact CZ-CD1 4.1Å; F88-I92 PolarHBondContact O-N 2.68Å; F88-I92 VanDerWaalsContact O-N 3.12Å; R89-I92 PolarHBondContact O-N 3.14Å; I92-K94 PolarHBondContact O-N 3.35Å; I92-K95 WeakPolarHBondContact O-CB 3.3Å; I92-K95 PolarHBondContact O-N 3.47Å
93N60.3Low51.8Low109 Ų10971.4 Ų71.458%0.58339%0.392SS*.Hα-helixtrans-64.4-26.8-180-66.53.5000112.9R89 E96R89-N93 PolarHBondContact O-N 2.75Å; R89-N93 PolarHBondContact O-OD1 2.88Å; N93-E96 VanDerWaalsContact O-CB 3.27Å; N93-E96 WeakPolarHBondContact O-CB 3.28Å
94K58.8Low50.5Low86 Ų8671.3 Ų71.337%0.37440%0.402SS..Hα-helixtrans-82.1-24.5179-170158.4163.3-158.40112.9A44 N45 K90 A91 I92 E96 I98A44-K94 WeakPolarHBondContact O-CD 3.4Å; A44-K94 WeakPolarHBondContact O-CE 3.26Å; A44-K94 PolarHBondContact O-NZ 3.02Å; N45-K94 PolarHBondContact O-NZ 3.13Å; K90-K94 WeakPolarHBondContact O-CB 3.34Å; K90-K94 PolarHBondContact O-N 3.42Å; A91-K94 PolarHBondContact O-N 3.03Å; I92-K94 PolarHBondContact O-N 3.35Å; K94-E96 PolarHBondContact O-N 2.9Å; K94-I98 WeakPolarHBondContact O-CD1 3.27Å
95K53.1Low49.3Very low41 Ų4174.7 Ų74.718%0.17843%0.427CS..Hα-helixtrans-67.5-22.6171-167.5177.3178.8-176.20112K23 L40 A91 I92 G97 I98K23-K95 PolarHBondContact O-NZ 3.04Å; L40-K95 HydrophobicContact CD1-CB 4.37Å; L40-K95 HydrophobicContact CD1-CD 3.73Å; A91-K95 PolarHBondContact O-N 3.4Å; I92-K95 WeakPolarHBondContact O-CB 3.3Å; I92-K95 PolarHBondContact O-N 3.47Å; K95-G97 PolarHBondContact O-N 3.37Å; K95-G97 VanDerWaalsContact O-N 3.13Å; K95-I98 PolarHBondContact O-N 2.98Å
96E47.2Very low48.1Very low148 Ų14883.6 Ų83.669%0.69247%0.467SS*.THydrogen-bonded Turntrans-61.7-18.2-178.3-155.1173.1-160.200114.8N93 K94N93-E96 VanDerWaalsContact O-CB 3.27Å; N93-E96 WeakPolarHBondContact O-CB 3.28Å; K94-E96 PolarHBondContact O-N 2.9Å
97G42.8Very low46.9Very low52 Ų5284.8 Ų84.854%0.53648%0.475SS..THydrogen-bonded Turntrans-117.114.4-178.100000115.9K95K95-G97 PolarHBondContact O-N 3.37Å; K95-G97 VanDerWaalsContact O-N 3.13Å
98I44.3Very low45.5Very low42 Ų4288.9 Ų88.922%0.21551%0.505CS..  trans-118.7115.3-173.8-71166.4000109.2A43 K94 K95A43-I98 WeakPolarHBondContact O-CD1 3.16Å; K94-I98 WeakPolarHBondContact O-CD1 3.27Å; K95-I98 PolarHBondContact O-N 2.98Å
99C37Very low43.7Very low68 Ų6892.5 Ų92.546%0.45955%0.545SS..  trans-78.2121169.9-74.40000110.1
100N35.3Very low42.2Very low80 Ų8092.4 Ų92.443%0.42856%0.556SS.*  trans-85.8109.8170.9-75.3-6.9000109.2A102N100-A102 PolarHBondContact O-N 3.42Å
101V36Very low40.7Very low88 Ų8891.8 Ų91.853%0.53356%0.555SS.*  trans-88.4105.3166.5-178.70000107.7G103 Y114V101-G103 VanDerWaalsContact C-N 3.28Å; V101-G103 PolarHBondContact O-N 2.75Å; V101-Y114 HydrophobicContact CG2-CE1 4.19Å
102A29.7Very low39.8Very low90 Ų9096.8 Ų96.874%0.74458%0.578SS**  trans-71.584.8168.900000109.4N100N100-A102 PolarHBondContact O-N 3.42Å
103G30.3Very low39.2Very low56 Ų5698 Ų9858%0.57759%0.59SS**  trans-92.7114.6170.100000110.5V101 S105V101-G103 VanDerWaalsContact C-N 3.28Å; V101-G103 PolarHBondContact O-N 2.75Å; G103-S105 PolarHBondContact O-N 2.78Å; G103-S105 VanDerWaalsContact O-N 3.09Å
104T30.2Very low39.5Very low150 Ų15094 Ų9492%0.9257%0.566SS**  trans-6798.3171.544.40000110.6
105S31.4Very low40.5Very low99 Ų9990.9 Ų90.969%0.69256%0.555SS**  trans-132.2109.1157.250.40000109.4G103 Q107G103-S105 PolarHBondContact O-N 2.78Å; G103-S105 VanDerWaalsContact O-N 3.09Å; S105-Q107 VanDerWaalsContact C-N 3.28Å; S105-Q107 PolarHBondContact O-N 3.38Å
106E32.9Very low41.9Very low194 Ų19491.4 Ų91.491%0.90756%0.558SS**SBendtrans-70.486.1170.6-70.3-176.9164.100108.9
107Q35.3Very low43.7Very low175 Ų17586.3 Ų86.382%0.81854%0.535SS*.SBendtrans163117.6146.1-88.1158.229.300108.5S105S105-Q107 VanDerWaalsContact C-N 3.28Å; S105-Q107 PolarHBondContact O-N 3.38Å
108S33.1Very low45.8Very low113 Ų11384.9 Ų84.979%0.7951%0.514SS*.  trans83.677.3179.7-25.30000114.9T110S108-T110 PolarHBondContact O-N 3.1Å
109G27.5Very low48.1Very low84 Ų8483 Ų8387%0.86650%0.504SS*.  trans-72.882.5-179.800000114.9
110T31.1Very low50.6Low101 Ų10181.1 Ų81.162%0.6249%0.49SS*.  trans-122.9104.5157.918.50000109.1S108 H112S108-T110 PolarHBondContact O-N 3.1Å; T110-H112 PolarHBondContact O-CD2 3.01Å
111Q32.8Very low53.2Low122 Ų12277.5 Ų77.557%0.5747%0.471SS*.  trans-74122.5168.6-78.3178.1-18.400108.9
112H45Very low55.9Low105 Ų10573.3 Ų73.349%0.48645%0.446SS..  trans-109.4110177.5-66.2-69.3000109.7T110 H218T110-H112 PolarHBondContact O-CD2 3.01Å; H112-H218 HydrophobicContact CB-CB 4.16Å; H112-H218 WeakPolarHBondContact CB-ND1 3.5Å; H112-H218 AromaticContact CD2-CE1 3.6Å; H112-H218 AromaticContact CD2-NE2 3.59Å; H112-H218 AromaticContact CG-CD2 3.91Å; H112-H218 AromaticContact CG-CE1 3.76Å; H112-H218 AromaticContact CG-NE2 3.68Å
113S49.6Very low59Low56 Ų5669 Ų6939%0.39241%0.411SS..  trans-75.6146.1173.757.30000112.1
114Y66.6Low61.9Low25 Ų2569.5 Ų69.510%0.09840%0.4CS..  trans-128.7161.117268-80.6000111.1V101 E116 F150 Q217 L221V101-Y114 HydrophobicContact CG2-CE1 4.19Å; Y114-E116 HydrophobicContact CE2-CG 4.5Å; Y114-E116 WeakPolarHBondContact CE2-OE1 3.43Å; Y114-E116 PolarHBondContact OH-OE1 2.8Å; Y114-F150 HydrophobicContact CD2-CZ 4.27Å; Y114-F150 HydrophobicContact CE2-CE2 4.41Å; Y114-F150 HydrophobicContact CE2-CZ 4.07Å; Y114-Q217 HydrophobicContact CD1-CB 3.76Å; Y114-Q217 HydrophobicContact CD1-CG 4.44Å; Y114-Q217 HydrophobicContact CD2-CB 4.41Å; Y114-Q217 HydrophobicContact CE1-CB 4.07Å; Y114-Q217 HydrophobicContact CE1-CG 4.25Å; Y114-Q217 HydrophobicContact CG-CB 3.97Å; Y114-Q217 VanDerWaalsContact CZ-NE2 3.29Å; Y114-Q217 PolarHBondContact OH-NE2 3.13Å; Y114-Q217 VanDerWaalsContact OH-NE2 3.11Å; Y114-L221 HydrophobicContact CD2-CD1 3.55Å; Y114-L221 HydrophobicContact CG-CD1 3.99Å
115S79.8Confident64.8Low20 Ų2063.5 Ų63.514%0.1436%0.361CS..  trans-91.4122.3-179.9167.10000110.4E117 E118 K119S115-E117 VanDerWaalsContact C-N 3.27Å; S115-E117 PolarHBondContact OG-N 2.82Å; S115-E117 PolarHBondContact OG-OE2 3.4Å; S115-E118 PolarHBondContact O-N 3.21Å; S115-E118 PolarHBondContact OG-N 2.85Å; S115-K119 PolarHBondContact O-N 2.67Å
116E81.9Confident67.8Low52 Ų5258.8 Ų58.824%0.24333%0.328CS..Hα-helixtrans-66-33.7173.8-73.8-63.3148.900111.2Y114 K119 V120Y114-E116 HydrophobicContact CE2-CG 4.5Å; Y114-E116 WeakPolarHBondContact CE2-OE1 3.43Å; Y114-E116 PolarHBondContact OH-OE1 2.8Å; E116-K119 WeakPolarHBondContact O-CB 3.5Å; E116-K119 PolarHBondContact O-N 2.99Å; E116-K119 WeakPolarHBondContact OE2-CE 3.39Å; E116-K119 IonicContact OE2-NZ 2.79Å; E116-K119 PolarHBondContact OE2-NZ 3.04Å; E116-V120 WeakPolarHBondContact O-CG2 3.4Å; E116-V120 PolarHBondContact O-N 2.81Å
117E84.6Confident70.8Confident41 Ų4150.8 Ų50.819%0.19229%0.291CS..Hα-helixtrans-62.2-45.3176.3-57.378.6-17200111.3S115 K119 V120 A121 D350 R353 L358S115-E117 VanDerWaalsContact C-N 3.27Å; S115-E117 PolarHBondContact OG-N 2.82Å; S115-E117 PolarHBondContact OG-OE2 3.4Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 2.83Å; E117-V120 PolarHBondContact O-N 2.95Å; E117-A121 VanDerWaalsContact O-CB 3.29Å; E117-A121 WeakPolarHBondContact O-CB 3.5Å; E117-A121 PolarHBondContact O-N 3.13Å; E117-D350 VanDerWaalsContact CB-OD1 3.3Å; E117-D350 WeakPolarHBondContact CB-OD1 3.2Å; E117-D350 VanDerWaalsContact CG-OD1 3.24Å; E117-D350 WeakPolarHBondContact CG-OD1 3.45Å; E117-R353 IonicContact OE1-CZ 2.8Å; E117-R353 IonicContact OE1-NH1 2.71Å; E117-R353 PolarHBondContact OE1-NH1 2.84Å; E117-L358 HydrophobicContact CB-CD1 4Å
118E87.3Confident73.5Confident21 Ų2147.1 Ų47.110%0.09827%0.272CS..Hα-helixtrans-61.4-41.6175.1-70.8175.7-179.200111.4S115 A121 F122 K357 L358S115-E118 PolarHBondContact O-N 3.21Å; S115-E118 PolarHBondContact OG-N 2.85Å; E118-A121 PolarHBondContact O-N 3.12Å; E118-F122 HydrophobicContact CB-CE2 4.09Å; E118-F122 HydrophobicContact CB-CZ 4.15Å; E118-F122 HydrophobicContact CG-CZ 4.49Å; E118-F122 WeakPolarHBondContact O-CB 2.96Å; E118-F122 WeakPolarHBondContact O-CD1 3.41Å; E118-F122 WeakPolarHBondContact O-CD2 3.5Å; E118-F122 WeakPolarHBondContact O-CG 3.37Å; E118-F122 PolarHBondContact O-N 2.85Å; E118-K357 VanDerWaalsContact OE1-CD 3.3Å; E118-K357 WeakPolarHBondContact OE1-CD 3.33Å; E118-K357 WeakPolarHBondContact OE1-CE 3.42Å; E118-K357 IonicContact OE1-NZ 2.63Å; E118-K357 PolarHBondContact OE1-NZ 3.42Å; E118-K357 IonicContact OE2-NZ 2.62Å; E118-K357 PolarHBondContact OE2-NZ 3.38Å; E118-L358 HydrophobicContact CG-CD2 4.35Å
119K92.1Very high76.3Confident4 Ų443.6 Ų43.62%0.01725%0.25CC..Hα-helixtrans-59.4-52.9177-172.7-160.974.7179.70111.3S115 E116 E117 A121 F122 V123 P144 N146 L149 F150 L221S115-K119 PolarHBondContact O-N 2.67Å; E116-K119 WeakPolarHBondContact O-CB 3.5Å; E116-K119 PolarHBondContact O-N 2.99Å; E116-K119 WeakPolarHBondContact OE2-CE 3.39Å; E116-K119 IonicContact OE2-NZ 2.79Å; E116-K119 PolarHBondContact OE2-NZ 3.04Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 2.83Å; K119-A121 VanDerWaalsContact C-N 3.34Å; K119-A121 PolarHBondContact O-N 2.99Å; K119-F122 PolarHBondContact O-N 2.89Å; K119-V123 WeakPolarHBondContact O-CG2 3.36Å; K119-V123 PolarHBondContact O-N 2.7Å; K119-P144 WeakPolarHBondContact CE-O 3.46Å; K119-P144 PolarHBondContact NZ-O 2.99Å; K119-N146 WeakPolarHBondContact CE-O 3.14Å; K119-N146 PolarHBondContact NZ-O 2.79Å; K119-L149 HydrophobicContact CG-CD2 3.85Å; K119-F150 HydrophobicContact CD-CE2 3.8Å; K119-F150 HydrophobicContact CD-CZ 4.01Å; K119-F150 HydrophobicContact CG-CE2 4.28Å; K119-F150 HydrophobicContact CG-CZ 4.06Å; K119-L221 HydrophobicContact CB-CD2 4.22Å
120V90.5Very high79.5Confident28 Ų2840 Ų4017%0.1721%0.211CC..Hα-helixtrans-58.7-46.9179.31700000110.8E116 E117 F122 V123 N124 P144E116-V120 WeakPolarHBondContact O-CG2 3.4Å; E116-V120 PolarHBondContact O-N 2.81Å; E117-V120 PolarHBondContact O-N 2.95Å; V120-F122 PolarHBondContact O-N 2.8Å; V120-V123 PolarHBondContact O-N 3.05Å; V120-N124 WeakPolarHBondContact O-CB 3.39Å; V120-N124 PolarHBondContact O-N 2.85Å; V120-N124 PolarHBondContact O-ND2 3.03Å; V120-P144 HydrophobicContact CB-CB 4.32Å; V120-P144 HydrophobicContact CG1-CB 4.06Å; V120-P144 HydrophobicContact CG2-CB 4.23Å; V120-P144 WeakPolarHBondContact CG2-O 3.34Å
121A89.6Confident82.5Confident3 Ų341.7 Ų41.73%0.02521%0.212CC..Hα-helixtrans-59.2-45.8178.500000112.7E117 E118 K119 W125 F345 L358E117-A121 VanDerWaalsContact O-CB 3.29Å; E117-A121 WeakPolarHBondContact O-CB 3.5Å; E117-A121 PolarHBondContact O-N 3.13Å; E118-A121 PolarHBondContact O-N 3.12Å; K119-A121 VanDerWaalsContact C-N 3.34Å; K119-A121 PolarHBondContact O-N 2.99Å; A121-W125 WeakPolarHBondContact O-CB 3.45Å; A121-W125 PolarHBondContact O-N 3.23Å; A121-W125 VanDerWaalsContact O-N 3.08Å; A121-F345 WeakPolarHBondContact CB-O 3.32Å; A121-L358 HydrophobicContact CB-CD1 4.16Å; A121-L358 HydrophobicContact CB-CD2 3.64Å
122F93.5Very high85.4Confident0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-69.9-40.6-179.5-61.8-14.9000111.8E118 K119 V120 W125 I126 L221 L224 W225 I228 L358E118-F122 HydrophobicContact CB-CE2 4.09Å; E118-F122 HydrophobicContact CB-CZ 4.15Å; E118-F122 HydrophobicContact CG-CZ 4.49Å; E118-F122 WeakPolarHBondContact O-CB 2.96Å; E118-F122 WeakPolarHBondContact O-CD1 3.41Å; E118-F122 WeakPolarHBondContact O-CD2 3.5Å; E118-F122 WeakPolarHBondContact O-CG 3.37Å; E118-F122 PolarHBondContact O-N 2.85Å; K119-F122 PolarHBondContact O-N 2.89Å; V120-F122 PolarHBondContact O-N 2.8Å; F122-W125 PolarHBondContact O-N 3.37Å; F122-I126 WeakPolarHBondContact O-CB 3.3Å; F122-I126 WeakPolarHBondContact O-CG1 3.37Å; F122-I126 PolarHBondContact O-N 3.22Å; F122-L221 HydrophobicContact CD2-CD2 3.6Å; F122-L221 HydrophobicContact CE2-CB 4.5Å; F122-L221 HydrophobicContact CE2-CD2 3.99Å; F122-L224 HydrophobicContact CD2-CB 4.23Å; F122-W225 AromaticContact CE1-CE3 3.92Å; F122-W225 HydrophobicContact CE1-CE3 3.92Å; F122-W225 HydrophobicContact CE2-CB 4.14Å; F122-W225 HydrophobicContact CZ-CB 3.84Å; F122-W225 HydrophobicContact CZ-CD2 4.4Å; F122-W225 AromaticContact CZ-CE3 3.81Å; F122-W225 HydrophobicContact CZ-CE3 3.81Å; F122-W225 HydrophobicContact CZ-CG 4.45Å; F122-I228 HydrophobicContact CB-CD1 4.49Å; F122-I228 HydrophobicContact CD1-CD1 3.59Å; F122-I228 HydrophobicContact CE1-CD1 3.92Å; F122-I228 HydrophobicContact CG-CD1 3.95Å; F122-L358 HydrophobicContact CE1-CD2 4.37Å
123V94.6Very high87.8Confident1 Ų141.1 Ų41.11%0.00621%0.207CC..Hα-helixtrans-57.9-51.2174.9167.20000111.1K119 V120 W125 I126 N127 M142 P144 L149K119-V123 WeakPolarHBondContact O-CG2 3.36Å; K119-V123 PolarHBondContact O-N 2.7Å; V120-V123 PolarHBondContact O-N 3.05Å; V123-W125 VanDerWaalsContact C-N 3.27Å; V123-W125 PolarHBondContact O-N 3.49Å; V123-I126 PolarHBondContact O-N 2.66Å; V123-N127 WeakPolarHBondContact O-CB 3.33Å; V123-N127 VanDerWaalsContact O-CG 3.29Å; V123-N127 PolarHBondContact O-N 3.31Å; V123-M142 HydrophobicContact CG1-CB 3.83Å; V123-M142 WeakPolarHBondContact CG1-O 3.4Å; V123-P144 HydrophobicContact CB-CB 4.1Å; V123-P144 HydrophobicContact CG1-CB 3.84Å; V123-L149 HydrophobicContact CG2-CB 3.68Å; V123-L149 HydrophobicContact CG2-CD1 3.99Å; V123-L149 HydrophobicContact CG2-CD2 4.2Å; V123-L149 HydrophobicContact CG2-CG 4.16Å
124N91.2Very high90Very high66 Ų6642.5 Ų42.535%0.35322%0.215SC..Hα-helixtrans-60.2-39.7-179.8-73-26.7000111.9V120 K128V120-N124 WeakPolarHBondContact O-CB 3.39Å; V120-N124 PolarHBondContact O-N 2.85Å; V120-N124 PolarHBondContact O-ND2 3.03Å; N124-K128 PolarHBondContact O-N 3.26Å
125W90.7Very high91.3Very high24 Ų2443.1 Ų43.19%0.09122%0.22CC..Hα-helixtrans-69.6-45.1177.7178.779.2000112.6A121 F122 V123 K128 A129 M162 L165 I228 F345A121-W125 WeakPolarHBondContact O-CB 3.45Å; A121-W125 PolarHBondContact O-N 3.23Å; A121-W125 VanDerWaalsContact O-N 3.08Å; F122-W125 PolarHBondContact O-N 3.37Å; V123-W125 VanDerWaalsContact C-N 3.27Å; V123-W125 PolarHBondContact O-N 3.49Å; W125-K128 PolarHBondContact O-N 3.28Å; W125-A129 VanDerWaalsContact O-CB 3.31Å; W125-A129 WeakPolarHBondContact O-CB 3.39Å; W125-A129 PolarHBondContact O-N 3.43Å; W125-M162 HydrophobicContact CE3-CE 3.93Å; W125-M162 HydrophobicContact CH2-CE 3.02Å; W125-M162 HydrophobicContact CZ2-CE 4.03Å; W125-M162 HydrophobicContact CZ3-CE 2.96Å; W125-M162 HydrophobicContact CZ3-SD 4.25Å; W125-L165 HydrophobicContact CH2-CD2 3.57Å; W125-L165 HydrophobicContact CZ2-CD2 3.37Å; W125-I228 HydrophobicContact CE3-CD1 3.76Å; W125-I228 HydrophobicContact CE3-CG1 3.93Å; W125-I228 HydrophobicContact CH2-CD1 4.46Å; W125-I228 HydrophobicContact CH2-CG1 3.7Å; W125-I228 HydrophobicContact CZ3-CD1 3.65Å; W125-I228 HydrophobicContact CZ3-CG1 3.33Å; W125-F345 HydrophobicContact CB-CD1 4.47Å; W125-F345 HydrophobicContact CB-CE1 4.11Å; W125-F345 AromaticContact CD1-CE1 3.62Å; W125-F345 AromaticContact CD1-CE2 3.89Å; W125-F345 AromaticContact CD1-CZ 3.28Å; W125-F345 AromaticContact CD2-CE1 3.94Å; W125-F345 HydrophobicContact CD2-CE1 3.94Å; W125-F345 HydrophobicContact CD2-CZ 4.09Å; W125-F345 AromaticContact CE2-CZ 3.83Å; W125-F345 HydrophobicContact CG-CD1 4.41Å; W125-F345 AromaticContact CG-CE1 3.62Å; W125-F345 HydrophobicContact CG-CE1 3.62Å; W125-F345 AromaticContact CG-CZ 3.78Å; W125-F345 HydrophobicContact CG-CZ 3.78Å; W125-F345 AromaticContact NE1-CE1 3.94Å; W125-F345 AromaticContact NE1-CZ 3.31Å; W125-F345 VanDerWaalsContact NE1-CZ 3.31Å
126I94.9Very high92Very high0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-62.6-44.6177.7-66.2165.6000110.5F122 V123 K128 A129 L130 I140 M142 L149 V158 M162 L224F122-I126 WeakPolarHBondContact O-CB 3.3Å; F122-I126 WeakPolarHBondContact O-CG1 3.37Å; F122-I126 PolarHBondContact O-N 3.22Å; V123-I126 PolarHBondContact O-N 2.66Å; I126-K128 VanDerWaalsContact C-N 3.26Å; I126-K128 PolarHBondContact O-N 3.04Å; I126-A129 PolarHBondContact O-N 3.3Å; I126-L130 HydrophobicContact CG2-CD1 3.93Å; I126-L130 HydrophobicContact CG2-CG 4.35Å; I126-L130 PolarHBondContact O-N 2.87Å; I126-I140 HydrophobicContact CG2-CD1 3.91Å; I126-M142 HydrophobicContact CB-CE 3.68Å; I126-M142 HydrophobicContact CD1-CE 4.14Å; I126-M142 HydrophobicContact CG2-CE 3.45Å; I126-M142 VanDerWaalsContact CG2-CE 3.45Å; I126-L149 HydrophobicContact CD1-CD1 3.72Å; I126-V158 HydrophobicContact CG2-CG1 3.88Å; I126-M162 HydrophobicContact CB-SD 4.48Å; I126-M162 HydrophobicContact CG1-CG 4.49Å; I126-M162 HydrophobicContact CG1-SD 3.98Å; I126-M162 HydrophobicContact CG2-SD 4.07Å; I126-L224 HydrophobicContact CD1-CD1 4.45Å; I126-L224 HydrophobicContact CD1-CD2 4.32Å
127N95Very high92.5Very high25 Ų2546.8 Ų46.813%0.13423%0.232CC..Hα-helixtrans-55.6-43.1176.9-77.9-16.4000111.6V123 E131 P141 M142V123-N127 WeakPolarHBondContact O-CB 3.33Å; V123-N127 VanDerWaalsContact O-CG 3.29Å; V123-N127 PolarHBondContact O-N 3.31Å; N127-E131 WeakPolarHBondContact O-CA 3.4Å; N127-E131 VanDerWaalsContact O-CB 3.32Å; N127-E131 WeakPolarHBondContact O-CB 3.42Å; N127-E131 PolarHBondContact O-N 2.91Å; N127-E131 VanDerWaalsContact O-N 3.11Å; N127-P141 WeakPolarHBondContact OD1-CA 3.12Å; N127-M142 PolarHBondContact ND2-N 3.35Å; N127-M142 PolarHBondContact ND2-O 3.18Å; N127-M142 PolarHBondContact OD1-N 2.82Å
128K91.7Very high92.9Very high99 Ų9949.9 Ų49.943%0.4325%0.247SC..Hα-helixtrans-73.2-39177.9-174.2164.5178.3172.60112.7N124 W125 I126N124-K128 PolarHBondContact O-N 3.26Å; W125-K128 PolarHBondContact O-N 3.28Å; I126-K128 VanDerWaalsContact C-N 3.26Å; I126-K128 PolarHBondContact O-N 3.04Å
129A92.1Very high93.2Very high38 Ų3850.5 Ų50.531%0.31425%0.252SS..Hα-helixtrans-71.2-37.5-178.200000112.7W125 I126 M162 L165W125-A129 VanDerWaalsContact O-CB 3.31Å; W125-A129 WeakPolarHBondContact O-CB 3.39Å; W125-A129 PolarHBondContact O-N 3.43Å; I126-A129 PolarHBondContact O-N 3.3Å; A129-M162 HydrophobicContact CB-CE 4.48Å; A129-L165 HydrophobicContact CB-CD1 4.24Å; A129-L165 HydrophobicContact CB-CD2 4.08Å
130L95.1Very high93.3Very high9 Ų951.6 Ų51.65%0.04726%0.257CS..SBendtrans-107.311.2-175.7-58.4-175000113.8I126 K132 D133 C136 I140 V158 K161 M162I126-L130 HydrophobicContact CG2-CD1 3.93Å; I126-L130 HydrophobicContact CG2-CG 4.35Å; I126-L130 PolarHBondContact O-N 2.87Å; L130-K132 PolarHBondContact O-N 3.28Å; L130-D133 HydrophobicContact CB-CB 4.28Å; L130-D133 HydrophobicContact CD2-CB 4.39Å; L130-D133 WeakPolarHBondContact O-CB 3.41Å; L130-D133 PolarHBondContact O-N 3.31Å; L130-C136 HydrophobicContact CD1-CB 4.44Å; L130-I140 HydrophobicContact CB-CG1 4.37Å; L130-V158 HydrophobicContact CD1-CG1 3.83Å; L130-K161 HydrophobicContact CD1-CB 4.12Å; L130-K161 HydrophobicContact CD2-CB 4.03Å; L130-M162 HydrophobicContact CD1-SD 3.59Å; L130-M162 VanDerWaalsContact CD1-SD 3.59Å; L130-M162 HydrophobicContact CD2-SD 4.28Å; L130-M162 HydrophobicContact CG-SD 3.89Å
131E94.3Very high93.6Very high137 Ų13755.5 Ų55.564%0.6428%0.283SS*.THydrogen-bonded Turntrans-50.5-38.3-178.3-170.3-174.9-16800112.8N127N127-E131 WeakPolarHBondContact O-CA 3.4Å; N127-E131 VanDerWaalsContact O-CB 3.32Å; N127-E131 WeakPolarHBondContact O-CB 3.42Å; N127-E131 PolarHBondContact O-N 2.91Å; N127-E131 VanDerWaalsContact O-N 3.11Å
132K94.1Very high93.9Very high187 Ų18755.6 Ų55.681%0.81328%0.284SS*.THydrogen-bonded Turntrans-99.1-1.1-176.1-61.7179.2-175.9173.90113.6L130L130-K132 PolarHBondContact O-N 3.28Å
133D95.3Very high93.9Very high28 Ų2858.9 Ų58.915%0.1530%0.301CS..  trans-75.3123.9-177.7-173.1-81000110.5L130 D135 C136 K161L130-D133 HydrophobicContact CB-CB 4.28Å; L130-D133 HydrophobicContact CD2-CB 4.39Å; L130-D133 WeakPolarHBondContact O-CB 3.41Å; L130-D133 PolarHBondContact O-N 3.31Å; D133-D135 VanDerWaalsContact C-N 3.29Å; D133-D135 PolarHBondContact O-N 2.85Å; D133-D135 WeakPolarHBondContact OD1-CA 3.49Å; D133-D135 WeakPolarHBondContact OD1-CB 3.28Å; D133-D135 PolarHBondContact OD1-N 2.98Å; D133-C136 HydrophobicContact CB-CB 4.48Å; D133-C136 PolarHBondContact OD1-N 2.86Å; D133-C136 PolarHBondContact OD1-SG 3.43Å; D133-C136 VanDerWaalsContact OD1-SG 3.42Å; D133-K161 IonicContact OD1-NZ 2.84Å; D133-K161 WeakPolarHBondContact OD2-CE 3.41Å; D133-K161 IonicContact OD2-NZ 3.6Å; D133-K161 PolarHBondContact OD2-NZ 2.96Å
134P94.5Very high93.7Very high85 Ų8560.1 Ų60.155%0.55231%0.309SS*.THydrogen-bonded Turntrans-70.9-23.9-176.328.9-35.2000113.7
135D94.5Very high93.6Very high37 Ų3763.4 Ų63.420%0.19833%0.327CS..THydrogen-bonded Turntrans-86.2-16.4-174-55.7-46000112.5D133 H138 I157 K161 K178D133-D135 VanDerWaalsContact C-N 3.29Å; D133-D135 PolarHBondContact O-N 2.85Å; D133-D135 WeakPolarHBondContact OD1-CA 3.49Å; D133-D135 WeakPolarHBondContact OD1-CB 3.28Å; D133-D135 PolarHBondContact OD1-N 2.98Å; D135-H138 PolarHBondContact O-CE1 3.21Å; D135-H138 PolarHBondContact O-ND1 3.31Å; D135-I157 HydrophobicContact CB-CG2 4.29Å; D135-K161 VanDerWaalsContact OD2-CE 3.31Å; D135-K161 WeakPolarHBondContact OD2-CE 3.45Å; D135-K161 IonicContact OD2-NZ 3.14Å; D135-K161 PolarHBondContact OD2-NZ 3.19Å; D135-K178 HydrophobicContact CB-CD 4.43Å; D135-K178 WeakPolarHBondContact OD1-CD 3.24Å; D135-K178 IonicContact OD1-NZ 2.99Å; D135-K178 VanDerWaalsContact OD2-CE 3.26Å; D135-K178 WeakPolarHBondContact OD2-CE 2.89Å; D135-K178 IonicContact OD2-NZ 2.87Å; D135-K178 PolarHBondContact OD2-NZ 2.73Å
136C94.7Very high93.6Very high0 Ų065 Ų650%034%0.337CS..SBendtrans-102.13.7-179.2-56.80000113.9L130 D133 H138 V139 I140L130-C136 HydrophobicContact CD1-CB 4.44Å; D133-C136 HydrophobicContact CB-CB 4.48Å; D133-C136 PolarHBondContact OD1-N 2.86Å; D133-C136 PolarHBondContact OD1-SG 3.43Å; D133-C136 VanDerWaalsContact OD1-SG 3.42Å; C136-H138 PolarHBondContact O-N 3.34Å; C136-H138 VanDerWaalsContact O-N 3.09Å; C136-V139 WeakPolarHBondContact O-CG2 3.26Å; C136-V139 PolarHBondContact O-N 3.49Å; C136-I140 HydrophobicContact CB-CG1 3.81Å; C136-I140 WeakPolarHBondContact O-CG1 3.45Å; C136-I140 PolarHBondContact O-N 3.48Å
137K92.9Very high93.5Very high150 Ų15069 Ų6965%0.65236%0.358SS*.THydrogen-bonded Turntrans-61.4-19.4-176.1-72.4-176173.6178.80115V139K137-V139 VanDerWaalsContact C-N 3.28Å
138H92.4Very high93.5Very high106 Ų10670.8 Ų70.849%0.49137%0.368SS..THydrogen-bonded Turntrans-77.4-14.8177.762.5-63000113.1D135 C136 D155D135-H138 PolarHBondContact O-CE1 3.21Å; D135-H138 PolarHBondContact O-ND1 3.31Å; C136-H138 PolarHBondContact O-N 3.34Å; C136-H138 VanDerWaalsContact O-N 3.09Å; H138-D155 IonicContact CD2-OD2 2.85Å; H138-D155 IonicContact CE1-OD2 3.28Å; H138-D155 IonicContact NE2-OD2 3.86Å; H138-D155 PolarHBondContact NE2-OD2 2.86Å
139V93.8Very high93.7Very high34 Ų3466.1 Ų66.121%0.20635%0.348CS..THydrogen-bonded Turntrans-127.5-17.8-178.2-69.70000114C136 K137 P141 M142 A152 V158C136-V139 WeakPolarHBondContact O-CG2 3.26Å; C136-V139 PolarHBondContact O-N 3.49Å; K137-V139 VanDerWaalsContact C-N 3.28Å; V139-P141 CarbonylContact O-C 3.01Å; V139-M142 WeakPolarHBondContact O-CG 3.42Å; V139-M142 PolarHBondContact O-N 3.33Å; V139-A152 HydrophobicContact CB-CB 3.84Å; V139-A152 HydrophobicContact CG1-CB 3.94Å; V139-A152 HydrophobicContact CG2-CB 4.26Å; V139-V158 HydrophobicContact CG2-CG2 3.58Å
140I94.2Very high93.8Very high26 Ų2664.7 Ų64.713%0.13333%0.334CS..PPolyproline II helixtrans-99132.7177.9-57-59.4000110.4I126 L130 C136 M142I126-I140 HydrophobicContact CG2-CD1 3.91Å; L130-I140 HydrophobicContact CB-CG1 4.37Å; C136-I140 HydrophobicContact CB-CG1 3.81Å; C136-I140 WeakPolarHBondContact O-CG1 3.45Å; C136-I140 PolarHBondContact O-N 3.48Å; I140-M142 HydrophobicContact CD1-CE 3.76Å; I140-M142 HydrophobicContact CD1-CG 4.23Å; I140-M142 HydrophobicContact CD1-SD 4.44Å
141P95.6Very high93.8Very high110 Ų11069.5 Ų69.571%0.71436%0.364SS*.SBendcis-81140.2-0.232.9-34.1000113.2N127 V139N127-P141 WeakPolarHBondContact OD1-CA 3.12Å; V139-P141 CarbonylContact O-C 3.01Å
142M96Very high93.8Very high6 Ų663.1 Ų63.13%0.0334%0.335CS..PPolyproline II helixtrans-82.4147.3170-62.6172.8-69.200110.4V123 I126 N127 V139 I140 D148 L149 A152V123-M142 HydrophobicContact CG1-CB 3.83Å; V123-M142 WeakPolarHBondContact CG1-O 3.4Å; I126-M142 HydrophobicContact CB-CE 3.68Å; I126-M142 HydrophobicContact CD1-CE 4.14Å; I126-M142 HydrophobicContact CG2-CE 3.45Å; I126-M142 VanDerWaalsContact CG2-CE 3.45Å; N127-M142 PolarHBondContact ND2-N 3.35Å; N127-M142 PolarHBondContact ND2-O 3.18Å; N127-M142 PolarHBondContact OD1-N 2.82Å; V139-M142 WeakPolarHBondContact O-CG 3.42Å; V139-M142 PolarHBondContact O-N 3.33Å; I140-M142 HydrophobicContact CD1-CE 3.76Å; I140-M142 HydrophobicContact CD1-CG 4.23Å; I140-M142 HydrophobicContact CD1-SD 4.44Å; M142-D148 HydrophobicContact CB-CB 3.98Å; M142-D148 HydrophobicContact CG-CB 4.31Å; M142-L149 HydrophobicContact CE-CD1 4.23Å; M142-L149 HydrophobicContact SD-CD1 4.15Å; M142-A152 HydrophobicContact CG-CB 4.19Å; M142-A152 HydrophobicContact SD-CB 3.53Å; M142-A152 VanDerWaalsContact SD-CB 3.53Å
143D94.1Very high93.8Very high68 Ų6854.3 Ų54.336%0.36430%0.297SS..PPolyproline II helixtrans-82.4122.5172-178.5-9.6000110.6D145 N146 D148D143-D145 PolarHBondContact O-N 3.24Å; D143-D145 WeakPolarHBondContact OD1-CB 3.41Å; D143-D145 PolarHBondContact OD1-N 2.97Å; D143-N146 WeakPolarHBondContact CB-ND2 3.34Å; D143-N146 PolarHBondContact O-OD1 3.12Å; D143-N146 VanDerWaalsContact O-OD1 3.06Å; D143-D148 WeakPolarHBondContact CB-OD2 3.32Å; D143-D148 PolarHBondContact N-OD2 3.5Å; D143-D148 VanDerWaalsContact N-OD2 3.17Å
144P90.8Very high93.8Very high28 Ų2853.5 Ų53.518%0.18230%0.295CS..THydrogen-bonded Turntrans-68.5-19.1179.628.3-35.2000113.8K119 V120 V123K119-P144 WeakPolarHBondContact CE-O 3.46Å; K119-P144 PolarHBondContact NZ-O 2.99Å; V120-P144 HydrophobicContact CB-CB 4.32Å; V120-P144 HydrophobicContact CG1-CB 4.06Å; V120-P144 HydrophobicContact CG2-CB 4.23Å; V120-P144 WeakPolarHBondContact CG2-O 3.34Å; V123-P144 HydrophobicContact CB-CB 4.1Å; V123-P144 HydrophobicContact CG1-CB 3.84Å
145D89.4Confident93.8Very high134 Ų13450.4 Ų50.472%0.71727%0.274SS*.THydrogen-bonded Turntrans-86.6-13.8-174.1-65.9-34.7000112.7D143D143-D145 PolarHBondContact O-N 3.24Å; D143-D145 WeakPolarHBondContact OD1-CB 3.41Å; D143-D145 PolarHBondContact OD1-N 2.97Å
146N91.3Very high93.8Very high57 Ų5748.6 Ų48.631%0.30526%0.264SS..SBendtrans-113.9-159-176.375.516.9000112.8K119 D143 D148K119-N146 WeakPolarHBondContact CE-O 3.14Å; K119-N146 PolarHBondContact NZ-O 2.79Å; D143-N146 WeakPolarHBondContact CB-ND2 3.34Å; D143-N146 PolarHBondContact O-OD1 3.12Å; D143-N146 VanDerWaalsContact O-OD1 3.06Å; N146-D148 VanDerWaalsContact CG-CG 3.44Å; N146-D148 PolarHBondContact ND2-OD1 3.48Å; N146-D148 PolarHBondContact ND2-OD2 2.86Å; N146-D148 WeakPolarHBondContact OD1-CA 3.5Å; N146-D148 WeakPolarHBondContact OD1-CB 3.39Å; N146-D148 PolarHBondContact OD1-N 2.94Å; N146-D148 PolarHBondContact OD1-OD1 3.34Å; N146-D148 PolarHBondContact OD1-OD2 3.01Å
147N91.4Very high94Very high84 Ų8448.7 Ų48.745%0.44927%0.265SS..SBendtrans-100.417.5-179.4-74.8-32.5000113.7L149 F150 T151 Q217N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 PolarHBondContact O-N 3.18Å; N147-F150 HydrophobicContact CB-CD2 3.96Å; N147-F150 PolarHBondContact O-N 2.87Å; N147-F150 VanDerWaalsContact O-N 3.14Å; N147-F150 WeakPolarHBondContact OD1-CD2 3.47Å; N147-F150 WeakPolarHBondContact OD1-CE2 3.26Å; N147-T151 PolarHBondContact O-N 2.88Å; N147-T151 PolarHBondContact O-OG1 3.26Å; N147-Q217 PolarHBondContact OD1-NE2 2.69Å
148D95Very high94.2Very high63 Ų6341.5 Ų41.534%0.33723%0.233SC..Hα-helixtrans-58.7-38.3-177.2-76-11000111.4M142 D143 N146 F150 T151 A152M142-D148 HydrophobicContact CB-CB 3.98Å; M142-D148 HydrophobicContact CG-CB 4.31Å; D143-D148 WeakPolarHBondContact CB-OD2 3.32Å; D143-D148 PolarHBondContact N-OD2 3.5Å; D143-D148 VanDerWaalsContact N-OD2 3.17Å; N146-D148 VanDerWaalsContact CG-CG 3.44Å; N146-D148 PolarHBondContact ND2-OD1 3.48Å; N146-D148 PolarHBondContact ND2-OD2 2.86Å; N146-D148 WeakPolarHBondContact OD1-CA 3.5Å; N146-D148 WeakPolarHBondContact OD1-CB 3.39Å; N146-D148 PolarHBondContact OD1-N 2.94Å; N146-D148 PolarHBondContact OD1-OD1 3.34Å; N146-D148 PolarHBondContact OD1-OD2 3.01Å; D148-F150 VanDerWaalsContact C-N 3.3Å; D148-F150 PolarHBondContact O-N 2.98Å; D148-T151 PolarHBondContact O-N 2.88Å; D148-A152 WeakPolarHBondContact O-CB 2.95Å; D148-A152 PolarHBondContact O-N 2.61Å
149L95.5Very high94.4Very high1 Ų136.6 Ų36.61%0.00521%0.211CC..Hα-helixtrans-50.6-49.9175.6-177.964.8000112.2K119 V123 I126 M142 N147 T151 A152 M153 L221 L224K119-L149 HydrophobicContact CG-CD2 3.85Å; V123-L149 HydrophobicContact CG2-CB 3.68Å; V123-L149 HydrophobicContact CG2-CD1 3.99Å; V123-L149 HydrophobicContact CG2-CD2 4.2Å; V123-L149 HydrophobicContact CG2-CG 4.16Å; I126-L149 HydrophobicContact CD1-CD1 3.72Å; M142-L149 HydrophobicContact CE-CD1 4.23Å; M142-L149 HydrophobicContact SD-CD1 4.15Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 PolarHBondContact O-N 3.18Å; L149-T151 VanDerWaalsContact C-N 3.35Å; L149-A152 PolarHBondContact O-N 3.25Å; L149-M153 HydrophobicContact CD1-CE 4.16Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.96Å; L149-M153 VanDerWaalsContact O-N 3.16Å; L149-L221 HydrophobicContact CD2-CD2 3.62Å; L149-L224 HydrophobicContact CD1-CD1 3.97Å; L149-L224 HydrophobicContact CD2-CD1 4.25Å; L149-L224 HydrophobicContact CG-CD1 4.33Å
150F94.9Very high94.6Very high9 Ų935 Ų354%0.03920%0.201CC..Hα-helixtrans-70.3-36.1-174.4-53.5-62.3000111.6Y114 K119 N147 D148 Q217 V220 L221Y114-F150 HydrophobicContact CD2-CZ 4.27Å; Y114-F150 HydrophobicContact CE2-CE2 4.41Å; Y114-F150 HydrophobicContact CE2-CZ 4.07Å; K119-F150 HydrophobicContact CD-CE2 3.8Å; K119-F150 HydrophobicContact CD-CZ 4.01Å; K119-F150 HydrophobicContact CG-CE2 4.28Å; K119-F150 HydrophobicContact CG-CZ 4.06Å; N147-F150 HydrophobicContact CB-CD2 3.96Å; N147-F150 PolarHBondContact O-N 2.87Å; N147-F150 VanDerWaalsContact O-N 3.14Å; N147-F150 WeakPolarHBondContact OD1-CD2 3.47Å; N147-F150 WeakPolarHBondContact OD1-CE2 3.26Å; D148-F150 VanDerWaalsContact C-N 3.3Å; D148-F150 PolarHBondContact O-N 2.98Å; F150-Q217 HydrophobicContact CD1-CB 4.06Å; F150-Q217 HydrophobicContact CD1-CG 3.89Å; F150-Q217 HydrophobicContact CD2-CG 3.83Å; F150-Q217 VanDerWaalsContact CE1-CA 3.41Å; F150-Q217 HydrophobicContact CE1-CB 3.54Å; F150-Q217 HydrophobicContact CE1-CG 3.72Å; F150-Q217 HydrophobicContact CE2-CB 4.24Å; F150-Q217 HydrophobicContact CE2-CG 3.67Å; F150-Q217 HydrophobicContact CG-CG 3.94Å; F150-Q217 HydrophobicContact CZ-CB 3.64Å; F150-Q217 HydrophobicContact CZ-CG 3.61Å; F150-V220 HydrophobicContact CD1-CB 4.06Å; F150-V220 HydrophobicContact CD1-CG1 3.96Å; F150-V220 HydrophobicContact CD1-CG2 4.49Å; F150-V220 HydrophobicContact CE1-CB 4.43Å; F150-V220 HydrophobicContact CE1-CG1 4.38Å; F150-L221 HydrophobicContact CE1-CD1 4.1Å; F150-L221 HydrophobicContact CE1-CD2 4.41Å; F150-L221 HydrophobicContact CE1-CG 3.94Å; F150-L221 HydrophobicContact CZ-CD1 4.09Å; F150-L221 HydrophobicContact CZ-CG 4.37Å
151T94.1Very high94.7Very high109 Ų10934.1 Ų34.167%0.66920%0.196SC*.Hα-helixtrans-70.9-41.7175.8-51.80000111.2N147 D148 L149 M153 G154N147-T151 PolarHBondContact O-N 2.88Å; N147-T151 PolarHBondContact O-OG1 3.26Å; D148-T151 PolarHBondContact O-N 2.88Å; L149-T151 VanDerWaalsContact C-N 3.35Å; T151-M153 VanDerWaalsContact C-N 3.26Å; T151-M153 PolarHBondContact O-N 3.44Å; T151-G154 PolarHBondContact O-N 3.44Å
152A95.1Very high94.8Very high4 Ų429 Ų293%0.03316%0.163CC..Hα-helixtrans-66.3-25.2-179.700000113.2V139 M142 D148 L149 G154V139-A152 HydrophobicContact CB-CB 3.84Å; V139-A152 HydrophobicContact CG1-CB 3.94Å; V139-A152 HydrophobicContact CG2-CB 4.26Å; M142-A152 HydrophobicContact CG-CB 4.19Å; M142-A152 HydrophobicContact SD-CB 3.53Å; M142-A152 VanDerWaalsContact SD-CB 3.53Å; D148-A152 WeakPolarHBondContact O-CB 2.95Å; D148-A152 PolarHBondContact O-N 2.61Å; L149-A152 PolarHBondContact O-N 3.25Å; A152-G154 VanDerWaalsContact C-N 3.3Å
153M94.8Very high94.8Very high2 Ų228.7 Ų28.71%0.0116%0.161CC..THydrogen-bonded Turntrans-75.4-19.4172.5-68.1-45.696.900113.3L149 T151 D155 G156 V158 L159 V220 L224L149-M153 HydrophobicContact CD1-CE 4.16Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.96Å; L149-M153 VanDerWaalsContact O-N 3.16Å; T151-M153 VanDerWaalsContact C-N 3.26Å; T151-M153 PolarHBondContact O-N 3.44Å; M153-D155 VanDerWaalsContact C-N 3.25Å; M153-D155 PolarHBondContact O-N 2.98Å; M153-G156 PolarHBondContact O-N 3.05Å; M153-V158 HydrophobicContact CE-CB 3.54Å; M153-V158 HydrophobicContact CE-CG1 3.32Å; M153-V158 HydrophobicContact CE-CG2 4.19Å; M153-V158 HydrophobicContact SD-CB 4.24Å; M153-V158 HydrophobicContact SD-CG1 4.15Å; M153-L159 HydrophobicContact SD-CB 4.33Å; M153-V220 HydrophobicContact CB-CG1 4.34Å; M153-V220 HydrophobicContact CG-CG1 3.62Å; M153-L224 HydrophobicContact CG-CD1 4.38Å; M153-L224 HydrophobicContact SD-CD1 4.25Å; M153-L224 HydrophobicContact SD-CD2 4.06Å
154G93.8Very high95Very high11 Ų1126.5 Ų26.511%0.11315%0.15CC..THydrogen-bonded Turntrans-66.9-19.9-16700000115T151 A152 V186T151-G154 PolarHBondContact O-N 3.44Å; A152-G154 VanDerWaalsContact C-N 3.3Å; G154-V186 WeakPolarHBondContact O-CG1 3.08Å
155D94.6Very high95.1Very high19 Ų1929.1 Ų29.110%0.10216%0.162CC..THydrogen-bonded Turntrans-93.3-7.9175.469.217.5000114.6H138 M153 I157 L181 N189H138-D155 IonicContact CD2-OD2 2.85Å; H138-D155 IonicContact CE1-OD2 3.28Å; H138-D155 IonicContact NE2-OD2 3.86Å; H138-D155 PolarHBondContact NE2-OD2 2.86Å; M153-D155 VanDerWaalsContact C-N 3.25Å; M153-D155 PolarHBondContact O-N 2.98Å; D155-I157 VanDerWaalsContact C-N 3.26Å; D155-I157 PolarHBondContact O-N 2.84Å; D155-I157 WeakPolarHBondContact OD1-CB 3.46Å; D155-I157 PolarHBondContact OD1-N 2.99Å; D155-L181 HydrophobicContact CB-CD1 3.68Å; D155-N189 WeakPolarHBondContact O-CB 3.37Å; D155-N189 PolarHBondContact O-ND2 3.03Å
156G96.3Very high95.3Very high0 Ų023.1 Ų23.10%013%0.13CC..SBendtrans74.6-5.9-178.800000116.4M153 C160M153-G156 PolarHBondContact O-N 3.05Å; G156-C160 PolarHBondContact O-N 2.9Å; G156-C160 PolarHBondContact O-SG 3.36Å
157I97.4Very high95.4Very high1 Ų122.6 Ų22.61%0.00513%0.129CC..Hα-helixtrans-66.9-52.5-175.6-62.7176.3000110.2D135 D155 L159 C160 K161 I176 L181D135-I157 HydrophobicContact CB-CG2 4.29Å; D155-I157 VanDerWaalsContact C-N 3.26Å; D155-I157 PolarHBondContact O-N 2.84Å; D155-I157 WeakPolarHBondContact OD1-CB 3.46Å; D155-I157 PolarHBondContact OD1-N 2.99Å; I157-L159 VanDerWaalsContact C-N 3.3Å; I157-L159 PolarHBondContact O-N 3.31Å; I157-C160 PolarHBondContact O-N 2.95Å; I157-K161 WeakPolarHBondContact O-CG 3.49Å; I157-K161 PolarHBondContact O-N 3.39Å; I157-I176 HydrophobicContact CG1-CG2 4.15Å; I157-L181 HydrophobicContact CD1-CD1 4.22Å
158V97.2Very high95.5Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-59.4-44.5-179.2178.90000110.4I126 L130 V139 M153 C160 K161 M162I126-V158 HydrophobicContact CG2-CG1 3.88Å; L130-V158 HydrophobicContact CD1-CG1 3.83Å; V139-V158 HydrophobicContact CG2-CG2 3.58Å; M153-V158 HydrophobicContact CE-CB 3.54Å; M153-V158 HydrophobicContact CE-CG1 3.32Å; M153-V158 HydrophobicContact CE-CG2 4.19Å; M153-V158 HydrophobicContact SD-CB 4.24Å; M153-V158 HydrophobicContact SD-CG1 4.15Å; V158-C160 PolarHBondContact O-N 3.46Å; V158-K161 WeakPolarHBondContact O-CB 3.27Å; V158-K161 PolarHBondContact O-N 3.43Å; V158-K161 VanDerWaalsContact O-N 3.15Å; V158-M162 HydrophobicContact CG1-CG 4.17Å; V158-M162 HydrophobicContact CG1-SD 4.44Å; V158-M162 VanDerWaalsContact O-CG 3.28Å; V158-M162 WeakPolarHBondContact O-CG 3.42Å; V158-M162 PolarHBondContact O-N 3.46Å
159L97Very high95.4Very high3 Ų325.3 Ų25.32%0.01615%0.149CC..Hα-helixtrans-62.6-41.9179.5-174.761.1000112.2M153 I157 K161 M162 I163 A193 L212 L223 L224M153-L159 HydrophobicContact SD-CB 4.33Å; I157-L159 VanDerWaalsContact C-N 3.3Å; I157-L159 PolarHBondContact O-N 3.31Å; L159-K161 VanDerWaalsContact C-N 3.33Å; L159-K161 PolarHBondContact O-N 2.92Å; L159-M162 PolarHBondContact O-N 2.83Å; L159-I163 HydrophobicContact CG-CD1 4.34Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.43Å; L159-A193 HydrophobicContact CB-CB 4.25Å; L159-A193 HydrophobicContact CD2-CB 3.65Å; L159-A193 HydrophobicContact CG-CB 3.86Å; L159-L212 HydrophobicContact CD2-CD1 3.77Å; L159-L223 HydrophobicContact CD1-CD2 4.41Å; L159-L223 HydrophobicContact CD1-CG 4.46Å; L159-L223 HydrophobicContact CD2-CD2 3.79Å; L159-L224 HydrophobicContact CD1-CD2 4.12Å
160C98Very high95.3Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-59.3-43.4173.3-74.40000112.1G156 I157 V158 I163 N164 I171 I176G156-C160 PolarHBondContact O-N 2.9Å; G156-C160 PolarHBondContact O-SG 3.36Å; I157-C160 PolarHBondContact O-N 2.95Å; V158-C160 PolarHBondContact O-N 3.46Å; C160-I163 PolarHBondContact O-N 2.97Å; C160-N164 PolarHBondContact O-N 3.26Å; C160-I171 HydrophobicContact CB-CD1 3.85Å; C160-I176 HydrophobicContact CB-CD1 3.65Å; C160-I176 HydrophobicContact CB-CG1 4.2Å
161K97.3Very high95.4Very high8 Ų825.9 Ų25.94%0.03515%0.153CC..Hα-helixtrans-65.3-40.6177.6-66.8-70.1-172152.60111.8L130 D133 D135 I157 V158 L159 I163 N164 L165 E173L130-K161 HydrophobicContact CD1-CB 4.12Å; L130-K161 HydrophobicContact CD2-CB 4.03Å; D133-K161 IonicContact OD1-NZ 2.84Å; D133-K161 WeakPolarHBondContact OD2-CE 3.41Å; D133-K161 IonicContact OD2-NZ 3.6Å; D133-K161 PolarHBondContact OD2-NZ 2.96Å; D135-K161 VanDerWaalsContact OD2-CE 3.31Å; D135-K161 WeakPolarHBondContact OD2-CE 3.45Å; D135-K161 IonicContact OD2-NZ 3.14Å; D135-K161 PolarHBondContact OD2-NZ 3.19Å; I157-K161 WeakPolarHBondContact O-CG 3.49Å; I157-K161 PolarHBondContact O-N 3.39Å; V158-K161 WeakPolarHBondContact O-CB 3.27Å; V158-K161 PolarHBondContact O-N 3.43Å; V158-K161 VanDerWaalsContact O-N 3.15Å; L159-K161 VanDerWaalsContact C-N 3.33Å; L159-K161 PolarHBondContact O-N 2.92Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.49Å; K161-N164 PolarHBondContact O-N 3.06Å; K161-L165 PolarHBondContact O-N 2.92Å; K161-E173 WeakPolarHBondContact CD-OE1 3.34Å; K161-E173 IonicContact NZ-OE1 2.67Å; K161-E173 PolarHBondContact NZ-OE1 3.28Å; K161-E173 IonicContact NZ-OE2 3.59Å; K161-E173 PolarHBondContact NZ-OE2 3.5Å
162M96.6Very high95.6Very high1 Ų121.8 Ų21.81%0.00513%0.127CC..Hα-helixtrans-62.5-39.9176-64.7-36.7-47.500112.3W125 I126 A129 L130 V158 L159 N164 L165 S166 L224 V227W125-M162 HydrophobicContact CE3-CE 3.93Å; W125-M162 HydrophobicContact CH2-CE 3.02Å; W125-M162 HydrophobicContact CZ2-CE 4.03Å; W125-M162 HydrophobicContact CZ3-CE 2.96Å; W125-M162 HydrophobicContact CZ3-SD 4.25Å; I126-M162 HydrophobicContact CB-SD 4.48Å; I126-M162 HydrophobicContact CG1-CG 4.49Å; I126-M162 HydrophobicContact CG1-SD 3.98Å; I126-M162 HydrophobicContact CG2-SD 4.07Å; A129-M162 HydrophobicContact CB-CE 4.48Å; L130-M162 HydrophobicContact CD1-SD 3.59Å; L130-M162 VanDerWaalsContact CD1-SD 3.59Å; L130-M162 HydrophobicContact CD2-SD 4.28Å; L130-M162 HydrophobicContact CG-SD 3.89Å; V158-M162 HydrophobicContact CG1-CG 4.17Å; V158-M162 HydrophobicContact CG1-SD 4.44Å; V158-M162 VanDerWaalsContact O-CG 3.28Å; V158-M162 WeakPolarHBondContact O-CG 3.42Å; V158-M162 PolarHBondContact O-N 3.46Å; L159-M162 PolarHBondContact O-N 2.83Å; M162-N164 VanDerWaalsContact C-N 3.34Å; M162-N164 PolarHBondContact O-N 3.45Å; M162-L165 HydrophobicContact CE-CB 4.19Å; M162-L165 HydrophobicContact CE-CD2 3.69Å; M162-L165 HydrophobicContact CE-CG 4.47Å; M162-L165 WeakPolarHBondContact O-CB 3.26Å; M162-L165 PolarHBondContact O-N 3Å; M162-S166 PolarHBondContact O-N 2.98Å; M162-S166 PolarHBondContact O-OG 3.35Å; M162-L224 HydrophobicContact CG-CD2 4.47Å; M162-V227 HydrophobicContact CB-CG1 4.27Å
163I97.3Very high95.6Very high0 Ų024.7 Ų24.70%014%0.14CC..Hα-helixtrans-60.3-44.8175.7-70.3163.1000110.9L159 C160 K161 L165 S166 V167 T170 I171 A193 A197 I200 V227L159-I163 HydrophobicContact CG-CD1 4.34Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.43Å; C160-I163 PolarHBondContact O-N 2.97Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.49Å; I163-L165 VanDerWaalsContact C-N 3.35Å; I163-S166 PolarHBondContact O-N 3.06Å; I163-V167 PolarHBondContact O-N 3.23Å; I163-T170 HydrophobicContact CG2-CG2 3.65Å; I163-I171 HydrophobicContact CB-CD1 4.09Å; I163-I171 HydrophobicContact CD1-CD1 4.09Å; I163-I171 HydrophobicContact CG2-CD1 3.98Å; I163-I171 HydrophobicContact CG2-CG1 4.29Å; I163-A193 HydrophobicContact CD1-CB 4.22Å; I163-A193 WeakPolarHBondContact CD1-O 3.47Å; I163-A197 HydrophobicContact CD1-CB 4.05Å; I163-I200 HydrophobicContact CG2-CD1 4.32Å; I163-V227 HydrophobicContact CG1-CG1 4.19Å; I163-V227 HydrophobicContact CG1-CG2 4.15Å
164N96.4Very high95.6Very high23 Ų2328.7 Ų28.712%0.12316%0.155CC..Hα-helixtrans-67.9-32176-84.9-6.9000113.3C160 K161 M162 S166 V167 P168 T170 I171C160-N164 PolarHBondContact O-N 3.26Å; K161-N164 PolarHBondContact O-N 3.06Å; M162-N164 VanDerWaalsContact C-N 3.34Å; M162-N164 PolarHBondContact O-N 3.45Å; N164-S166 VanDerWaalsContact C-N 3.33Å; N164-V167 CarbonylContact O-C 3.57Å; N164-P168 VanDerWaalsContact O-CA 3.27Å; N164-P168 WeakPolarHBondContact O-CA 3.36Å; N164-T170 PolarHBondContact OD1-N 3.12Å; N164-I171 PolarHBondContact ND2-O 3.4Å; N164-I171 PolarHBondContact OD1-N 3.42Å; N164-I171 PolarHBondContact OD1-O 2.82Å
165L94.6Very high95.7Very high82 Ų8228.2 Ų28.243%0.42915%0.15SC..Hα-helixtrans-65.7-39.3173.7-166.4107.2000111.1W125 A129 K161 M162 I163W125-L165 HydrophobicContact CH2-CD2 3.57Å; W125-L165 HydrophobicContact CZ2-CD2 3.37Å; A129-L165 HydrophobicContact CB-CD1 4.24Å; A129-L165 HydrophobicContact CB-CD2 4.08Å; K161-L165 PolarHBondContact O-N 2.92Å; M162-L165 HydrophobicContact CE-CB 4.19Å; M162-L165 HydrophobicContact CE-CD2 3.69Å; M162-L165 HydrophobicContact CE-CG 4.47Å; M162-L165 WeakPolarHBondContact O-CB 3.26Å; M162-L165 PolarHBondContact O-N 3Å; I163-L165 VanDerWaalsContact C-N 3.35Å
166S93.8Very high95.8Very high9 Ų927.5 Ų27.56%0.06315%0.146CC..Hα-helixtrans-77.6-40.4179.3-64.30000113.2M162 I163 N164 V227 G231M162-S166 PolarHBondContact O-N 2.98Å; M162-S166 PolarHBondContact O-OG 3.35Å; I163-S166 PolarHBondContact O-N 3.06Å; N164-S166 VanDerWaalsContact C-N 3.33Å; S166-V227 WeakPolarHBondContact CB-O 3.41Å; S166-V227 WeakPolarHBondContact OG-CG1 3.38Å; S166-V227 PolarHBondContact OG-O 2.83Å; S166-G231 WeakPolarHBondContact O-CA 3.49Å
167V93.1Very high95.7Very high46 Ų4628.6 Ų28.628%0.27915%0.152SC..SBendtrans-136.498.6176.2-175.20000108I163 N164 T170 I200 I230I163-V167 PolarHBondContact O-N 3.23Å; N164-V167 CarbonylContact O-C 3.57Å; V167-T170 WeakPolarHBondContact CB-OG1 3.44Å; V167-T170 VanDerWaalsContact CG1-OG1 3.27Å; V167-T170 WeakPolarHBondContact CG1-OG1 3.49Å; V167-T170 WeakPolarHBondContact O-CB 3.44Å; V167-T170 PolarHBondContact O-N 3.38Å; V167-T170 PolarHBondContact O-OG1 2.8Å; V167-I200 HydrophobicContact CB-CG2 4.08Å; V167-I200 HydrophobicContact CG1-CG2 4.25Å; V167-I200 HydrophobicContact CG2-CB 4.23Å; V167-I200 HydrophobicContact CG2-CD1 4.19Å; V167-I200 HydrophobicContact CG2-CG2 4.04Å; V167-I230 HydrophobicContact CG2-CG2 3.65Å
168P93.1Very high95.5Very high98 Ų9832 Ų3264%0.63617%0.166SC*.THydrogen-bonded Turntrans-52.8149.4-179.9-28.536000112.8N164 T170N164-P168 VanDerWaalsContact O-CA 3.27Å; N164-P168 WeakPolarHBondContact O-CA 3.36Å; P168-T170 PolarHBondContact O-N 3.13Å; P168-T170 VanDerWaalsContact O-N 3.13Å
169D91.6Very high95.1Very high106 Ų10640.9 Ų40.957%0.56721%0.205SC*.THydrogen-bonded Turntrans60.814.2178.5-65.1-23000116.3K579D169-K579 VanDerWaalsContact CG-NZ 3.3Å; D169-K579 IonicContact OD1-NZ 3.27Å; D169-K579 IonicContact OD2-NZ 2.99Å; D169-K579 PolarHBondContact OD2-NZ 3.19Å
170T95.1Very high94.5Very high18 Ų1850.4 Ų50.411%0.1125%0.246CC..SBendtrans-68.5-39.3176.3-62.10000112.3I163 N164 V167 P168 I200 R586I163-T170 HydrophobicContact CG2-CG2 3.65Å; N164-T170 PolarHBondContact OD1-N 3.12Å; V167-T170 WeakPolarHBondContact CB-OG1 3.44Å; V167-T170 VanDerWaalsContact CG1-OG1 3.27Å; V167-T170 WeakPolarHBondContact CG1-OG1 3.49Å; V167-T170 WeakPolarHBondContact O-CB 3.44Å; V167-T170 PolarHBondContact O-N 3.38Å; V167-T170 PolarHBondContact O-OG1 2.8Å; P168-T170 PolarHBondContact O-N 3.13Å; P168-T170 VanDerWaalsContact O-N 3.13Å; T170-I200 HydrophobicContact CG2-CG2 3.64Å; T170-R586 PolarHBondContact O-NH1 2.83Å
171I97.4Very high94.2Very high3 Ų353.4 Ų53.42%0.01526%0.262CS..SBendtrans-120.3123.5179.6-61.6174.9000108.8C160 I163 N164 E173 I176 L192 S196C160-I171 HydrophobicContact CB-CD1 3.85Å; I163-I171 HydrophobicContact CB-CD1 4.09Å; I163-I171 HydrophobicContact CD1-CD1 4.09Å; I163-I171 HydrophobicContact CG2-CD1 3.98Å; I163-I171 HydrophobicContact CG2-CG1 4.29Å; N164-I171 PolarHBondContact ND2-O 3.4Å; N164-I171 PolarHBondContact OD1-N 3.42Å; N164-I171 PolarHBondContact OD1-O 2.82Å; I171-E173 PolarHBondContact O-N 3.08Å; I171-E173 VanDerWaalsContact O-N 3.14Å; I171-I176 HydrophobicContact CG2-CD1 4.25Å; I171-I176 HydrophobicContact CG2-CG1 4.18Å; I171-L192 HydrophobicContact CD1-CG 4.4Å; I171-L192 HydrophobicContact CG1-CD1 4.48Å; I171-L192 HydrophobicContact CG2-CD1 4.14Å; I171-L192 HydrophobicContact CG2-CD2 3.82Å; I171-L192 HydrophobicContact CG2-CG 4.1Å; I171-S196 WeakPolarHBondContact CG1-OG 3.44Å
172D96.6Very high94Very high23 Ų2356.3 Ų56.312%0.12328%0.281CS..  trans-70.2107.8165.3-173.7-35.3000109.1R174 T175 Y580 S583D172-R174 PolarHBondContact O-N 3.48Å; D172-R174 WeakPolarHBondContact OD1-CB 3.32Å; D172-R174 VanDerWaalsContact OD1-CG 3.28Å; D172-R174 WeakPolarHBondContact OD1-CG 3.39Å; D172-R174 IonicContact OD1-CZ 2.83Å; D172-R174 PolarHBondContact OD1-N 2.7Å; D172-R174 IonicContact OD1-NE 3.04Å; D172-R174 PolarHBondContact OD1-NE 3.42Å; D172-R174 IonicContact OD1-NH2 3.93Å; D172-R174 IonicContact OD2-CZ 3.66Å; D172-R174 VanDerWaalsContact OD2-CZ 3.29Å; D172-R174 IonicContact OD2-NE 2.7Å; D172-R174 PolarHBondContact OD2-NE 3.39Å; D172-R174 VanDerWaalsContact OD2-NE 3.12Å; D172-R174 IonicContact OD2-NH2 3.29Å; D172-R174 PolarHBondContact OD2-NH2 2.85Å; D172-T175 HydrophobicContact CB-CG2 4.22Å; D172-T175 WeakPolarHBondContact O-CB 3.44Å; D172-T175 PolarHBondContact O-N 2.9Å; D172-T175 PolarHBondContact O-OG1 3.35Å; D172-Y580 WeakPolarHBondContact OD2-CA 3.39Å; D172-Y580 WeakPolarHBondContact OD2-CB 3.16Å; D172-S583 WeakPolarHBondContact CB-OG 3.46Å; D172-S583 PolarHBondContact N-OG 2.71Å
173E95.5Very high93.8Very high65 Ų6561 Ų6130%0.30431%0.311SS..G310 helixtrans-61.5-18.7-174.7-62.3-162.4168.600114.3K161 I171 T175 I176 K178K161-E173 WeakPolarHBondContact CD-OE1 3.34Å; K161-E173 IonicContact NZ-OE1 2.67Å; K161-E173 PolarHBondContact NZ-OE1 3.28Å; K161-E173 IonicContact NZ-OE2 3.59Å; K161-E173 PolarHBondContact NZ-OE2 3.5Å; I171-E173 PolarHBondContact O-N 3.08Å; I171-E173 VanDerWaalsContact O-N 3.14Å; E173-T175 PolarHBondContact O-N 2.94Å; E173-I176 HydrophobicContact CB-CD1 4.17Å; E173-I176 HydrophobicContact CG-CD1 4.26Å; E173-I176 PolarHBondContact O-N 2.94Å; E173-K178 VanDerWaalsContact O-CE 3.3Å; E173-K178 WeakPolarHBondContact O-CE 3.5Å; E173-K178 IonicContact OE2-NZ 2.68Å
174R94.8Very high93.5Very high86 Ų8666.9 Ų66.933%0.32534%0.337SS..G310 helixtrans-60.5-33.4173.3-60175.7-70.6177.1-3.8109.6D172 I176 R560 L563 N576 Y580D172-R174 PolarHBondContact O-N 3.48Å; D172-R174 WeakPolarHBondContact OD1-CB 3.32Å; D172-R174 VanDerWaalsContact OD1-CG 3.28Å; D172-R174 WeakPolarHBondContact OD1-CG 3.39Å; D172-R174 IonicContact OD1-CZ 2.83Å; D172-R174 PolarHBondContact OD1-N 2.7Å; D172-R174 IonicContact OD1-NE 3.04Å; D172-R174 PolarHBondContact OD1-NE 3.42Å; D172-R174 IonicContact OD1-NH2 3.93Å; D172-R174 IonicContact OD2-CZ 3.66Å; D172-R174 VanDerWaalsContact OD2-CZ 3.29Å; D172-R174 IonicContact OD2-NE 2.7Å; D172-R174 PolarHBondContact OD2-NE 3.39Å; D172-R174 VanDerWaalsContact OD2-NE 3.12Å; D172-R174 IonicContact OD2-NH2 3.29Å; D172-R174 PolarHBondContact OD2-NH2 2.85Å; R174-I176 VanDerWaalsContact C-N 3.25Å; R174-I176 PolarHBondContact O-N 2.78Å; R174-R560 PolarHBondContact O-NH2 3.04Å; R174-L563 HydrophobicContact CB-CD1 4.33Å; R174-L563 PolarHBondContact NH1-O 3.33Å; R174-L563 VanDerWaalsContact NH1-O 3.13Å; R174-N576 PolarHBondContact NH2-O 3.23Å; R174-Y580 HydrophobicContact CB-CD2 4.36Å; R174-Y580 HydrophobicContact CB-CE2 4.22Å
175T95.5Very high93.3Very high1 Ų167 Ų671%0.00634%0.339CS..G310 helixtrans-72.3-16.4-178.267.60000113.8D172 E173 L192 Y580 M584 K587D172-T175 HydrophobicContact CB-CG2 4.22Å; D172-T175 WeakPolarHBondContact O-CB 3.44Å; D172-T175 PolarHBondContact O-N 2.9Å; D172-T175 PolarHBondContact O-OG1 3.35Å; E173-T175 PolarHBondContact O-N 2.94Å; T175-L192 WeakPolarHBondContact OG1-CD2 3.32Å; T175-Y580 HydrophobicContact CG2-CD2 3.64Å; T175-Y580 HydrophobicContact CG2-CE2 3.59Å; T175-Y580 HydrophobicContact CG2-CG 4.33Å; T175-M584 HydrophobicContact CG2-CG 3.73Å; T175-M584 HydrophobicContact CG2-SD 3.56Å; T175-M584 VanDerWaalsContact CG2-SD 3.56Å; T175-K587 WeakPolarHBondContact O-CD 3.37Å; T175-K587 WeakPolarHBondContact O-CE 3.43Å; T175-K587 PolarHBondContact O-NZ 2.86Å
176I96.4Very high93.4Very high4 Ų464 Ų642%0.02132%0.324CS..SBendtrans-71.9130179.4-54.7170.8000109.7I157 C160 I171 E173 R174 K178 L192I157-I176 HydrophobicContact CG1-CG2 4.15Å; C160-I176 HydrophobicContact CB-CD1 3.65Å; C160-I176 HydrophobicContact CB-CG1 4.2Å; I171-I176 HydrophobicContact CG2-CD1 4.25Å; I171-I176 HydrophobicContact CG2-CG1 4.18Å; E173-I176 HydrophobicContact CB-CD1 4.17Å; E173-I176 HydrophobicContact CG-CD1 4.26Å; E173-I176 PolarHBondContact O-N 2.94Å; R174-I176 VanDerWaalsContact C-N 3.25Å; R174-I176 PolarHBondContact O-N 2.78Å; I176-K178 HydrophobicContact CB-CG 4.3Å; I176-K178 HydrophobicContact CG2-CG 4.05Å; I176-K178 PolarHBondContact O-N 3.07Å; I176-L192 HydrophobicContact CG1-CD2 3.99Å
177N95.3Very high93.4Very high24 Ų2466.5 Ų66.513%0.12833%0.334CS..  trans-76.4113.6170.3-60.8-45.5000108.3L181 T185 E188 N189 K587N177-L181 HydrophobicContact CB-CD2 4.05Å; N177-L181 VanDerWaalsContact O-CD2 3.32Å; N177-L181 WeakPolarHBondContact O-CD2 3.16Å; N177-T185 HydrophobicContact CB-CG2 4.45Å; N177-T185 WeakPolarHBondContact ND2-CB 3.37Å; N177-T185 PolarHBondContact ND2-O 2.87Å; N177-E188 PolarHBondContact ND2-OE2 3.25Å; N177-N189 WeakPolarHBondContact CB-OD1 3.48Å; N177-N189 PolarHBondContact N-OD1 2.75Å; N177-N189 PolarHBondContact O-ND2 3.37Å; N177-K587 VanDerWaalsContact ND2-CE 3.34Å; N177-K587 WeakPolarHBondContact ND2-CE 3Å; N177-K587 PolarHBondContact ND2-NZ 2.62Å; N177-K587 PolarHBondContact OD1-NZ 2.99Å
178K92.9Very high93.5Very high71 Ų7165 Ų6531%0.30933%0.325SS..  trans-110.3-13.8-171.5-63.6168.7177.1-160.40114.6D135 E173 I176D135-K178 HydrophobicContact CB-CD 4.43Å; D135-K178 WeakPolarHBondContact OD1-CD 3.24Å; D135-K178 IonicContact OD1-NZ 2.99Å; D135-K178 VanDerWaalsContact OD2-CE 3.26Å; D135-K178 WeakPolarHBondContact OD2-CE 2.89Å; D135-K178 IonicContact OD2-NZ 2.87Å; D135-K178 PolarHBondContact OD2-NZ 2.73Å; E173-K178 VanDerWaalsContact O-CE 3.3Å; E173-K178 WeakPolarHBondContact O-CE 3.5Å; E173-K178 IonicContact OE2-NZ 2.68Å; I176-K178 HydrophobicContact CB-CG 4.3Å; I176-K178 HydrophobicContact CG2-CG 4.05Å; I176-K178 PolarHBondContact O-N 3.07Å
179K88Confident93.7Very high187 Ų18760.4 Ų60.481%0.81329%0.294SS*.SBendtrans-137.4147.8-173.7-63.7-176.8-177.9177.50110.8L181K179-L181 PolarHBondContact O-N 2.82Å
180K85Confident94Very high203 Ų20355.3 Ų55.388%0.88327%0.267SS*.SBendtrans49.257.4176.8-65-178.8176.9-178.90112.1T182K180-T182 PolarHBondContact O-N 3.39Å
181L91.3Very high94Very high64 Ų6456.2 Ų56.234%0.33527%0.271SS..  trans-66.9116.5-176.3-62.6176000111D155 I157 N177 K179 V186D155-L181 HydrophobicContact CB-CD1 3.68Å; I157-L181 HydrophobicContact CD1-CD1 4.22Å; N177-L181 HydrophobicContact CB-CD2 4.05Å; N177-L181 VanDerWaalsContact O-CD2 3.32Å; N177-L181 WeakPolarHBondContact O-CD2 3.16Å; K179-L181 PolarHBondContact O-N 2.82Å; L181-V186 HydrophobicContact CB-CG2 3.9Å; L181-V186 HydrophobicContact CD1-CG2 4.35Å
182T93.3Very high94Very high69 Ų6956 Ų5642%0.42327%0.27SS..  trans-92.3161.4165.667.60000109.8K180 F184 T185 V186K180-T182 PolarHBondContact O-N 3.39Å; T182-F184 PolarHBondContact O-N 2.88Å; T182-F184 VanDerWaalsContact O-N 3.12Å; T182-T185 PolarHBondContact N-OG1 2.68Å; T182-T185 PolarHBondContact O-N 3.31Å; T182-T185 PolarHBondContact O-OG1 3.4Å; T182-T185 PolarHBondContact OG1-N 3.31Å; T182-T185 PolarHBondContact OG1-OG1 3.23Å; T182-T185 VanDerWaalsContact OG1-OG1 3.09Å; T182-V186 WeakPolarHBondContact O-CG2 3.33Å; T182-V186 PolarHBondContact O-N 3.26Å
183P92.7Very high94.1Very high100 Ų10055 Ų5565%0.64927%0.265SS*.Hα-helixtrans-52.5-35.6174.8-28.135.8000113.4Q187P183-Q187 WeakPolarHBondContact O-CB 3.2Å; P183-Q187 PolarHBondContact O-N 2.9Å
184F90.9Very high94.1Very high123 Ų12352.4 Ų52.454%0.53925%0.253SS..Hα-helixtrans-67-47.8176.6-175.8-97000112.3T182 V186 Q187 E188T182-F184 PolarHBondContact O-N 2.88Å; T182-F184 VanDerWaalsContact O-N 3.12Å; F184-V186 VanDerWaalsContact C-N 3.3Å; F184-V186 PolarHBondContact O-N 3.33Å; F184-Q187 WeakPolarHBondContact O-CB 3.32Å; F184-Q187 PolarHBondContact O-N 3.48Å; F184-E188 HydrophobicContact CD1-CG 4.34Å; F184-E188 HydrophobicContact CE1-CG 4.01Å; F184-E188 VanDerWaalsContact CE1-OE1 3.26Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.34Å; F184-E188 HydrophobicContact CZ-CG 4.4Å; F184-E188 WeakPolarHBondContact O-CG 3.5Å; F184-E188 PolarHBondContact O-N 3.11Å
185T93.5Very high94.1Very high26 Ų2649.1 Ų49.116%0.1624%0.242CC..Hα-helixtrans-69.3-28.1179.751.10000113.3N177 T182 N189N177-T185 HydrophobicContact CB-CG2 4.45Å; N177-T185 WeakPolarHBondContact ND2-CB 3.37Å; N177-T185 PolarHBondContact ND2-O 2.87Å; T182-T185 PolarHBondContact N-OG1 2.68Å; T182-T185 PolarHBondContact O-N 3.31Å; T182-T185 PolarHBondContact O-OG1 3.4Å; T182-T185 PolarHBondContact OG1-N 3.31Å; T182-T185 PolarHBondContact OG1-OG1 3.23Å; T182-T185 VanDerWaalsContact OG1-OG1 3.09Å; T185-N189 PolarHBondContact O-N 2.66Å; T185-N189 VanDerWaalsContact O-N 3.14Å
186V95.9Very high94.2Very high18 Ų1849 Ų4911%0.10924%0.241CC..Hα-helixtrans-66.7-48.3170.6167.60000110.1G154 L181 T182 F184 E188 N189 L190 K213G154-V186 WeakPolarHBondContact O-CG1 3.08Å; L181-V186 HydrophobicContact CB-CG2 3.9Å; L181-V186 HydrophobicContact CD1-CG2 4.35Å; T182-V186 WeakPolarHBondContact O-CG2 3.33Å; T182-V186 PolarHBondContact O-N 3.26Å; F184-V186 VanDerWaalsContact C-N 3.3Å; F184-V186 PolarHBondContact O-N 3.33Å; V186-E188 PolarHBondContact O-N 3.31Å; V186-N189 WeakPolarHBondContact O-CB 3.49Å; V186-N189 PolarHBondContact O-N 3.05Å; V186-N189 VanDerWaalsContact O-N 3.09Å; V186-L190 HydrophobicContact CG1-CD1 3.73Å; V186-L190 HydrophobicContact CG1-CG 4.31Å; V186-L190 WeakPolarHBondContact O-CG 3.43Å; V186-L190 PolarHBondContact O-N 2.85Å; V186-K213 HydrophobicContact CG1-CD 4.25Å; V186-K213 HydrophobicContact CG1-CG 4.48Å
187Q94.5Very high94.2Very high61 Ų6148.9 Ų48.929%0.28524%0.24SC..Hα-helixtrans-55.1-41.1175.2178.867.136.100111.9P183 F184 L190 N191P183-Q187 WeakPolarHBondContact O-CB 3.2Å; P183-Q187 PolarHBondContact O-N 2.9Å; F184-Q187 WeakPolarHBondContact O-CB 3.32Å; F184-Q187 PolarHBondContact O-N 3.48Å; Q187-L190 PolarHBondContact O-N 3.32Å; Q187-N191 PolarHBondContact NE2-OD1 3.44Å; Q187-N191 VanDerWaalsContact NE2-OD1 3.08Å; Q187-N191 WeakPolarHBondContact O-CB 3.36Å; Q187-N191 PolarHBondContact O-N 3.32Å; Q187-N191 PolarHBondContact O-ND2 3.34Å
188E95.1Very high94.1Very high16 Ų1648 Ų488%0.07524%0.236CC..Hα-helixtrans-63.5-43.6175.3-72-173.4141.800113.2N177 F184 V186 L190 N191 L192 Q555 K587N177-E188 PolarHBondContact ND2-OE2 3.25Å; F184-E188 HydrophobicContact CD1-CG 4.34Å; F184-E188 HydrophobicContact CE1-CG 4.01Å; F184-E188 VanDerWaalsContact CE1-OE1 3.26Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.34Å; F184-E188 HydrophobicContact CZ-CG 4.4Å; F184-E188 WeakPolarHBondContact O-CG 3.5Å; F184-E188 PolarHBondContact O-N 3.11Å; V186-E188 PolarHBondContact O-N 3.31Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-N191 PolarHBondContact O-N 2.84Å; E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 PolarHBondContact O-N 3.47Å; E188-Q555 PolarHBondContact OE1-NE2 3.47Å; E188-K587 HydrophobicContact CB-CD 4.37Å; E188-K587 HydrophobicContact CB-CG 3.85Å; E188-K587 HydrophobicContact CG-CG 4.43Å; E188-K587 WeakPolarHBondContact OE2-CE 3.47Å; E188-K587 IonicContact OE2-NZ 2.77Å
189N97.4Very high94.1Very high0 Ų045.1 Ų45.10%023%0.226CC..Hα-helixtrans-61.9-43.6176-76-6.5000111.3D155 N177 T185 V186 L192 A193D155-N189 WeakPolarHBondContact O-CB 3.37Å; D155-N189 PolarHBondContact O-ND2 3.03Å; N177-N189 WeakPolarHBondContact CB-OD1 3.48Å; N177-N189 PolarHBondContact N-OD1 2.75Å; N177-N189 PolarHBondContact O-ND2 3.37Å; T185-N189 PolarHBondContact O-N 2.66Å; T185-N189 VanDerWaalsContact O-N 3.14Å; V186-N189 WeakPolarHBondContact O-CB 3.49Å; V186-N189 PolarHBondContact O-N 3.05Å; V186-N189 VanDerWaalsContact O-N 3.09Å; N189-L192 WeakPolarHBondContact O-CB 3.48Å; N189-L192 PolarHBondContact O-N 2.89Å; N189-A193 WeakPolarHBondContact O-CB 3.37Å; N189-A193 PolarHBondContact O-N 3.28Å
190L97.1Very high94.4Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-66.9-39.6179.1-66170.1000111.9V186 Q187 E188 A193 L194 A209 L212 K213V186-L190 HydrophobicContact CG1-CD1 3.73Å; V186-L190 HydrophobicContact CG1-CG 4.31Å; V186-L190 WeakPolarHBondContact O-CG 3.43Å; V186-L190 PolarHBondContact O-N 2.85Å; Q187-L190 PolarHBondContact O-N 3.32Å; E188-L190 VanDerWaalsContact C-N 3.34Å; L190-A193 PolarHBondContact O-N 3.46Å; L190-L194 WeakPolarHBondContact O-CB 3.45Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 2.84Å; L190-A209 HydrophobicContact CB-CB 3.66Å; L190-A209 HydrophobicContact CD1-CB 4.19Å; L190-A209 WeakPolarHBondContact CD1-O 3.48Å; L190-L212 HydrophobicContact CD2-CB 3.83Å; L190-L212 HydrophobicContact CD2-CD1 4.09Å; L190-K213 HydrophobicContact CD1-CB 3.78Å
191N95.7Very high94.7Very high36 Ų3627 Ų2719%0.19315%0.148CC..Hα-helixtrans-61.7-44.5172.1-75.3-15.9000111.6Q187 E188 A193 L194 N195 K587Q187-N191 PolarHBondContact NE2-OD1 3.44Å; Q187-N191 VanDerWaalsContact NE2-OD1 3.08Å; Q187-N191 WeakPolarHBondContact O-CB 3.36Å; Q187-N191 PolarHBondContact O-N 3.32Å; Q187-N191 PolarHBondContact O-ND2 3.34Å; E188-N191 PolarHBondContact O-N 2.84Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 3.15Å; N191-L194 PolarHBondContact O-N 3.39Å; N191-N195 WeakPolarHBondContact O-CB 3.39Å; N191-N195 PolarHBondContact O-N 2.84Å; N191-N195 PolarHBondContact O-ND2 2.91Å; N191-K587 WeakPolarHBondContact CB-O 3.46Å
192L97.4Very high94.8Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-57.8-48.1175.1173.559.7000110.7I171 T175 I176 E188 N189 S196 S583 R586 K587I171-L192 HydrophobicContact CD1-CG 4.4Å; I171-L192 HydrophobicContact CG1-CD1 4.48Å; I171-L192 HydrophobicContact CG2-CD1 4.14Å; I171-L192 HydrophobicContact CG2-CD2 3.82Å; I171-L192 HydrophobicContact CG2-CG 4.1Å; T175-L192 WeakPolarHBondContact OG1-CD2 3.32Å; I176-L192 HydrophobicContact CG1-CD2 3.99Å; E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 PolarHBondContact O-N 3.47Å; N189-L192 WeakPolarHBondContact O-CB 3.48Å; N189-L192 PolarHBondContact O-N 2.89Å; L192-S196 WeakPolarHBondContact O-CB 3.21Å; L192-S196 PolarHBondContact O-N 3.25Å; L192-S196 PolarHBondContact O-OG 3.14Å; L192-S583 VanDerWaalsContact CD1-O 3.3Å; L192-S583 WeakPolarHBondContact CD1-O 3.37Å; L192-R586 HydrophobicContact CD1-CB 4.07Å; L192-K587 HydrophobicContact CB-CB 4.1Å; L192-K587 HydrophobicContact CB-CG 4.36Å; L192-K587 HydrophobicContact CD1-CB 4.36Å
193A97.6Very high94.6Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-62-50.8178.400000112.2L159 I163 N189 L190 N191 S196 A197L159-A193 HydrophobicContact CB-CB 4.25Å; L159-A193 HydrophobicContact CD2-CB 3.65Å; L159-A193 HydrophobicContact CG-CB 3.86Å; I163-A193 HydrophobicContact CD1-CB 4.22Å; I163-A193 WeakPolarHBondContact CD1-O 3.47Å; N189-A193 WeakPolarHBondContact O-CB 3.37Å; N189-A193 PolarHBondContact O-N 3.28Å; L190-A193 PolarHBondContact O-N 3.46Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 3.15Å; A193-S196 PolarHBondContact O-N 3.34Å; A193-A197 WeakPolarHBondContact O-CB 3.41Å; A193-A197 PolarHBondContact O-N 3.16Å
194L96.5Very high94.3Very high11 Ų1119.2 Ų19.26%0.05810%0.097CC..Hα-helixtrans-62.1-46.5-178.6-75.2169000112.7L190 N191 S196 A197 S198 V204 I207 A209 L212 L223L190-L194 WeakPolarHBondContact O-CB 3.45Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 2.84Å; N191-L194 PolarHBondContact O-N 3.39Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.89Å; L194-A197 PolarHBondContact O-N 2.86Å; L194-S198 WeakPolarHBondContact O-CB 3.3Å; L194-S198 PolarHBondContact O-N 3.2Å; L194-V204 HydrophobicContact CD2-CB 4.35Å; L194-V204 HydrophobicContact CD2-CG1 4.32Å; L194-I207 HydrophobicContact CD2-CB 4.08Å; L194-I207 HydrophobicContact CD2-CG2 3.76Å; L194-A209 HydrophobicContact CD1-CB 4.31Å; L194-L212 HydrophobicContact CD1-CD1 4.14Å; L194-L212 HydrophobicContact CD2-CD1 3.72Å; L194-L212 HydrophobicContact CG-CD1 3.81Å; L194-L223 HydrophobicContact CD2-CD2 3.97Å
195N95.3Very high93.4Very high17 Ų1716.7 Ų16.79%0.0919%0.091CC..Hα-helixtrans-69.2-32.1179.4-72.3-39.3000111.7N191 S198 A199 R586 G589N191-N195 WeakPolarHBondContact O-CB 3.39Å; N191-N195 PolarHBondContact O-N 2.84Å; N191-N195 PolarHBondContact O-ND2 2.91Å; N195-S198 WeakPolarHBondContact O-CB 3.5Å; N195-A199 WeakPolarHBondContact O-CB 3.37Å; N195-A199 PolarHBondContact O-N 3.14Å; N195-R586 HydrophobicContact CB-CB 3.77Å; N195-R586 HydrophobicContact CB-CG 3.92Å; N195-R586 PolarHBondContact ND2-O 2.72Å; N195-G589 WeakPolarHBondContact ND2-CA 3.27Å
196S96.8Very high92.7Very high0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-73.2-39.8175.2-58.90000112.1I171 L192 A193 L194 S198 A199 I200 R586I171-S196 WeakPolarHBondContact CG1-OG 3.44Å; L192-S196 WeakPolarHBondContact O-CB 3.21Å; L192-S196 PolarHBondContact O-N 3.25Å; L192-S196 PolarHBondContact O-OG 3.14Å; A193-S196 PolarHBondContact O-N 3.34Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.89Å; S196-S198 VanDerWaalsContact C-N 3.32Å; S196-S198 PolarHBondContact O-N 3.43Å; S196-A199 PolarHBondContact O-N 3.35Å; S196-A199 VanDerWaalsContact O-N 3.15Å; S196-I200 PolarHBondContact O-N 3.12Å; S196-R586 WeakPolarHBondContact OG-CD 3.2Å
197A96.3Very high92.2Very high0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-59.3-43.7170.600000111.1I163 A193 L194 A199 I200 G201 C202 V204 L223I163-A197 HydrophobicContact CD1-CB 4.05Å; A193-A197 WeakPolarHBondContact O-CB 3.41Å; A193-A197 PolarHBondContact O-N 3.16Å; L194-A197 PolarHBondContact O-N 2.86Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 2.87Å; A197-I200 WeakPolarHBondContact O-CG1 3.2Å; A197-I200 PolarHBondContact O-N 3.16Å; A197-G201 PolarHBondContact O-N 2.84Å; A197-C202 HydrophobicContact CB-CB 3.96Å; A197-C202 WeakPolarHBondContact O-CB 3.28Å; A197-C202 PolarHBondContact O-N 3.25Å; A197-C202 PolarHBondContact O-SG 3.3Å; A197-V204 HydrophobicContact CB-CG1 4.23Å; A197-L223 HydrophobicContact CB-CD1 4.04Å
198S94.1Very high92Very high6 Ų620.2 Ų20.24%0.04212%0.117CC..Hα-helixtrans-58.5-43.2173.6-161.70000111.9L194 N195 S196 I200 G201 S402 Y593L194-S198 WeakPolarHBondContact O-CB 3.3Å; L194-S198 PolarHBondContact O-N 3.2Å; N195-S198 WeakPolarHBondContact O-CB 3.5Å; S196-S198 VanDerWaalsContact C-N 3.32Å; S196-S198 PolarHBondContact O-N 3.43Å; S198-I200 VanDerWaalsContact C-N 3.26Å; S198-I200 PolarHBondContact O-N 2.83Å; S198-G201 PolarHBondContact O-N 3.25Å; S198-S402 WeakPolarHBondContact O-CB 3.39Å; S198-S402 WeakPolarHBondContact OG-CB 3.32Å; S198-Y593 PolarHBondContact OG-OH 2.9Å; S198-Y593 VanDerWaalsContact OG-OH 3.11Å
199A92.7Very high91.8Very high11 Ų1119.7 Ų19.79%0.09112%0.116CC..Hα-helixtrans-67.2-23.3-17800000114.1N195 S196 A197 N398 R586N195-A199 WeakPolarHBondContact O-CB 3.37Å; N195-A199 PolarHBondContact O-N 3.14Å; S196-A199 PolarHBondContact O-N 3.35Å; S196-A199 VanDerWaalsContact O-N 3.15Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 2.87Å; A199-N398 VanDerWaalsContact O-CB 3.3Å; A199-N398 WeakPolarHBondContact O-CB 3.33Å; A199-N398 PolarHBondContact O-ND2 3.45Å; A199-R586 VanDerWaalsContact CB-CZ 3.47Å
200I92.9Very high91.5Very high10 Ų1023.5 Ų23.55%0.05113%0.133CC..THydrogen-bonded Turntrans-91.84172.366.4166.8000113.1I163 V167 T170 S196 A197 S198 I230 N398I163-I200 HydrophobicContact CG2-CD1 4.32Å; V167-I200 HydrophobicContact CB-CG2 4.08Å; V167-I200 HydrophobicContact CG1-CG2 4.25Å; V167-I200 HydrophobicContact CG2-CB 4.23Å; V167-I200 HydrophobicContact CG2-CD1 4.19Å; V167-I200 HydrophobicContact CG2-CG2 4.04Å; T170-I200 HydrophobicContact CG2-CG2 3.64Å; S196-I200 PolarHBondContact O-N 3.12Å; A197-I200 WeakPolarHBondContact O-CG1 3.2Å; A197-I200 PolarHBondContact O-N 3.16Å; S198-I200 VanDerWaalsContact C-N 3.26Å; S198-I200 PolarHBondContact O-N 2.83Å; I200-I230 HydrophobicContact CD1-CD1 3.92Å; I200-I230 HydrophobicContact CD1-CG2 4.41Å; I200-I230 HydrophobicContact CG1-CD1 4Å; I200-I230 WeakPolarHBondContact O-CD1 3.48Å; I200-N398 PolarHBondContact O-OD1 2.67Å
201G91.3Very high91.3Very high0 Ų024.8 Ų24.80%014%0.14CC..THydrogen-bonded Turntrans90.723.2176.400000115.2A197 S198 N398 R408A197-G201 PolarHBondContact O-N 2.84Å; S198-G201 PolarHBondContact O-N 3.25Å; G201-N398 WeakPolarHBondContact CA-O 3.37Å; G201-R408 PolarHBondContact O-NH1 3.11Å; G201-R408 PolarHBondContact O-NH2 3.28Å; G201-R408 VanDerWaalsContact O-NH2 3.07Å
202C93.3Very high91.2Very high0 Ų023.2 Ų23.20%013%0.132CC..  trans-76.7140.8164.6-59.20000110.6A197 V204 L223 Q226 I230 S402A197-C202 HydrophobicContact CB-CB 3.96Å; A197-C202 WeakPolarHBondContact O-CB 3.28Å; A197-C202 PolarHBondContact O-N 3.25Å; A197-C202 PolarHBondContact O-SG 3.3Å; C202-V204 HydrophobicContact CB-CG1 4.15Å; C202-V204 PolarHBondContact O-N 3.46Å; C202-L223 HydrophobicContact CB-CD1 4.18Å; C202-Q226 HydrophobicContact CB-CB 4.38Å; C202-I230 VanDerWaalsContact SG-CD1 3.51Å; C202-S402 WeakPolarHBondContact O-CA 3.46Å
203H90.5Very high91Very high58 Ų5827.1 Ų27.127%0.26915%0.149SC..  trans-84.5106.1173-177.862000110.5V205 Q226 S402 G404H203-V205 VanDerWaalsContact CE1-CG2 3.45Å; H203-V205 WeakPolarHBondContact CE1-CG2 3.29Å; H203-Q226 PolarHBondContact O-NE2 3.28Å; H203-S402 PolarHBondContact ND1-O 3.31Å; H203-S402 VanDerWaalsContact ND1-O 3.1Å; H203-G404 WeakPolarHBondContact ND1-CA 3.37Å; H203-G404 PolarHBondContact ND1-N 3.16Å
204V85.8Confident90.8Very high11 Ų1132.4 Ų32.47%0.06717%0.173CC..  trans-118.913.4-175-600000113.9L194 A197 C202 N206 I207 L223L194-V204 HydrophobicContact CD2-CB 4.35Å; L194-V204 HydrophobicContact CD2-CG1 4.32Å; A197-V204 HydrophobicContact CB-CG1 4.23Å; C202-V204 HydrophobicContact CB-CG1 4.15Å; C202-V204 PolarHBondContact O-N 3.46Å; V204-N206 PolarHBondContact O-N 2.94Å; V204-N206 VanDerWaalsContact O-N 3.09Å; V204-I207 PolarHBondContact O-N 3.44Å; V204-L223 HydrophobicContact CG1-CD1 3.82Å
205V72.4Confident90.5Very high69 Ų6932.3 Ų32.342%0.41818%0.175SC..THydrogen-bonded Turntrans-59.8-28.8-171.21770000113H203H203-V205 VanDerWaalsContact CE1-CG2 3.45Å; H203-V205 WeakPolarHBondContact CE1-CG2 3.29Å
206N77.6Confident90.3Very high126 Ų12636.7 Ų36.767%0.67419%0.19SC*.THydrogen-bonded Turntrans-110.225.1-179.9-59.9-30.7000112.9V204V204-N206 PolarHBondContact O-N 2.94Å; V204-N206 VanDerWaalsContact O-N 3.09Å
207I87.1Confident90.1Very high23 Ų2338.7 Ų38.712%0.11820%0.2CC..  trans-127110.1179.2-47.8-179.4000108.8L194 V204 L212 L219 L223L194-I207 HydrophobicContact CD2-CB 4.08Å; L194-I207 HydrophobicContact CD2-CG2 3.76Å; V204-I207 PolarHBondContact O-N 3.44Å; I207-L212 HydrophobicContact CG2-CD2 3.9Å; I207-L212 HydrophobicContact CG2-CG 3.98Å; I207-L219 HydrophobicContact CG1-CB 4.48Å; I207-L219 HydrophobicContact CG1-CD2 4.25Å; I207-L219 HydrophobicContact CG2-CB 4.47Å; I207-L223 HydrophobicContact CD1-CB 4.12Å
208G88.6Confident89.6Confident30 Ų3041.7 Ų41.731%0.30921%0.214SC..  trans-91.3165.8170.800000112.1E210 D211 L212G208-E210 VanDerWaalsContact C-N 3.28Å; G208-E210 PolarHBondContact O-N 2.97Å; G208-D211 WeakPolarHBondContact CA-OD2 3.39Å; G208-D211 PolarHBondContact N-OD2 2.94Å; G208-D211 WeakPolarHBondContact O-CB 3.28Å; G208-D211 PolarHBondContact O-N 3.45Å; G208-L212 PolarHBondContact O-N 3.01Å
209A91.6Very high89.5Confident6 Ų642.7 Ų42.75%0.0522%0.219CC..Hα-helixtrans-62.4-38.1174.100000111.7L190 L194 D211 L212 K213L190-A209 HydrophobicContact CB-CB 3.66Å; L190-A209 HydrophobicContact CD1-CB 4.19Å; L190-A209 WeakPolarHBondContact CD1-O 3.48Å; L194-A209 HydrophobicContact CD1-CB 4.31Å; A209-D211 VanDerWaalsContact C-N 3.28Å; A209-D211 PolarHBondContact O-N 3.43Å; A209-L212 PolarHBondContact O-N 3.36Å; A209-L212 VanDerWaalsContact O-N 3.16Å; A209-K213 WeakPolarHBondContact O-CB 3.39Å; A209-K213 PolarHBondContact O-N 2.66Å
210E91.6Very high89.5Confident79 Ų7942.3 Ų42.337%0.36922%0.215SC..Hα-helixtrans-64.8-35179.7-159.563.2-153.800111.5G208 L212 K213 E214G208-E210 VanDerWaalsContact C-N 3.28Å; G208-E210 PolarHBondContact O-N 2.97Å; E210-L212 VanDerWaalsContact C-N 3.29Å; E210-L212 PolarHBondContact O-N 3.21Å; E210-K213 VanDerWaalsContact CD-NZ 3.31Å; E210-K213 PolarHBondContact O-N 3Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.15Å; E210-K213 IonicContact OE2-NZ 3.03Å; E210-K213 PolarHBondContact OE2-NZ 2.62Å; E210-E214 HydrophobicContact CG-CG 4.37Å; E210-E214 WeakPolarHBondContact O-CB 3.46Å; E210-E214 WeakPolarHBondContact O-CG 3.34Å; E210-E214 PolarHBondContact O-N 2.66Å
211D92.5Very high89.5Confident27 Ų2741.9 Ų41.914%0.14421%0.213CC..Hα-helixtrans-59.9-39.8174.8-62-63.3000112.3G208 A209 G215 R216 L219G208-D211 WeakPolarHBondContact CA-OD2 3.39Å; G208-D211 PolarHBondContact N-OD2 2.94Å; G208-D211 WeakPolarHBondContact O-CB 3.28Å; G208-D211 PolarHBondContact O-N 3.45Å; A209-D211 VanDerWaalsContact C-N 3.28Å; A209-D211 PolarHBondContact O-N 3.43Å; D211-G215 PolarHBondContact O-N 2.94Å; D211-R216 HydrophobicContact CB-CG 4.43Å; D211-R216 WeakPolarHBondContact O-CB 3.09Å; D211-R216 WeakPolarHBondContact O-CG 3.3Å; D211-R216 PolarHBondContact O-N 2.97Å; D211-R216 WeakPolarHBondContact OD1-CD 3.38Å; D211-R216 IonicContact OD1-CZ 2.73Å; D211-R216 IonicContact OD1-NE 3.7Å; D211-R216 PolarHBondContact OD1-NE 3.23Å; D211-R216 VanDerWaalsContact OD1-NE 3.14Å; D211-R216 IonicContact OD1-NH1 3.67Å; D211-R216 PolarHBondContact OD1-NH1 3.44Å; D211-R216 IonicContact OD1-NH2 2.83Å; D211-L219 HydrophobicContact CB-CD1 3.65Å
212L93.6Very high89.5Confident3 Ų343.4 Ų43.42%0.01623%0.228CC..Hα-helixtrans-74.1-38.3177-64.6-177.3000111.8L159 L190 L194 I207 G208 A209 E210 G215 V220 L223L159-L212 HydrophobicContact CD2-CD1 3.77Å; L190-L212 HydrophobicContact CD2-CB 3.83Å; L190-L212 HydrophobicContact CD2-CD1 4.09Å; L194-L212 HydrophobicContact CD1-CD1 4.14Å; L194-L212 HydrophobicContact CD2-CD1 3.72Å; L194-L212 HydrophobicContact CG-CD1 3.81Å; I207-L212 HydrophobicContact CG2-CD2 3.9Å; I207-L212 HydrophobicContact CG2-CG 3.98Å; G208-L212 PolarHBondContact O-N 3.01Å; A209-L212 PolarHBondContact O-N 3.36Å; A209-L212 VanDerWaalsContact O-N 3.16Å; E210-L212 VanDerWaalsContact C-N 3.29Å; E210-L212 PolarHBondContact O-N 3.21Å; L212-G215 PolarHBondContact O-N 2.99Å; L212-V220 HydrophobicContact CD2-CG2 3.94Å; L212-L223 HydrophobicContact CD1-CD2 4.18Å; L212-L223 HydrophobicContact CD2-CD2 4.17Å
213K93.3Very high89.5Confident83 Ų8343.4 Ų43.436%0.36123%0.228SC..Hα-helixtrans-65.3-39177.3-174.6173.7150.3-126.10112.4V186 L190 A209 E210 G215V186-K213 HydrophobicContact CG1-CD 4.25Å; V186-K213 HydrophobicContact CG1-CG 4.48Å; L190-K213 HydrophobicContact CD1-CB 3.78Å; A209-K213 WeakPolarHBondContact O-CB 3.39Å; A209-K213 PolarHBondContact O-N 2.66Å; E210-K213 VanDerWaalsContact CD-NZ 3.31Å; E210-K213 PolarHBondContact O-N 3Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.15Å; E210-K213 IonicContact OE2-NZ 3.03Å; E210-K213 PolarHBondContact OE2-NZ 2.62Å; K213-G215 PolarHBondContact O-N 2.96Å
214E92.6Very high89.7Confident110 Ų11040.8 Ų40.851%0.51422%0.216SC..THydrogen-bonded Turntrans-73.4-9.9172.4-71.4177.2174.700112.7E210 R216E210-E214 HydrophobicContact CG-CG 4.37Å; E210-E214 WeakPolarHBondContact O-CB 3.46Å; E210-E214 WeakPolarHBondContact O-CG 3.34Å; E210-E214 PolarHBondContact O-N 2.66Å; E214-R216 HydrophobicContact CB-CG 4.31Å; E214-R216 IonicContact OE2-CZ 3.03Å; E214-R216 VanDerWaalsContact OE2-CZ 3.28Å; E214-R216 IonicContact OE2-NE 2.79Å; E214-R216 PolarHBondContact OE2-NE 2.84Å; E214-R216 IonicContact OE2-NH2 3.58Å; E214-R216 PolarHBondContact OE2-NH2 3.46Å
215G91.6Very high90.1Very high9 Ų941.6 Ų41.69%0.09322%0.218CC..THydrogen-bonded Turntrans68.536.4-179.500000113.3D211 L212 K213 Q217D211-G215 PolarHBondContact O-N 2.94Å; L212-G215 PolarHBondContact O-N 2.99Å; K213-G215 PolarHBondContact O-N 2.96Å; G215-Q217 PolarHBondContact O-N 3.42Å
216R91.1Very high91.1Very high109 Ų10940.2 Ų40.241%0.41121%0.207SC..  trans-59.8106-179.8-68.6-172.7-173.6-169.3-4.1111D211 E214 H218 L219 V220D211-R216 HydrophobicContact CB-CG 4.43Å; D211-R216 WeakPolarHBondContact O-CB 3.09Å; D211-R216 WeakPolarHBondContact O-CG 3.3Å; D211-R216 PolarHBondContact O-N 2.97Å; D211-R216 WeakPolarHBondContact OD1-CD 3.38Å; D211-R216 IonicContact OD1-CZ 2.73Å; D211-R216 IonicContact OD1-NE 3.7Å; D211-R216 PolarHBondContact OD1-NE 3.23Å; D211-R216 VanDerWaalsContact OD1-NE 3.14Å; D211-R216 IonicContact OD1-NH1 3.67Å; D211-R216 PolarHBondContact OD1-NH1 3.44Å; D211-R216 IonicContact OD1-NH2 2.83Å; E214-R216 HydrophobicContact CB-CG 4.31Å; E214-R216 IonicContact OE2-CZ 3.03Å; E214-R216 VanDerWaalsContact OE2-CZ 3.28Å; E214-R216 IonicContact OE2-NE 2.79Å; E214-R216 PolarHBondContact OE2-NE 2.84Å; E214-R216 IonicContact OE2-NH2 3.58Å; E214-R216 PolarHBondContact OE2-NH2 3.46Å; R216-H218 PolarHBondContact O-N 3.42Å; R216-L219 HydrophobicContact CB-CB 4.41Å; R216-L219 HydrophobicContact CB-CD1 4.09Å; R216-L219 HydrophobicContact CB-CG 4.35Å; R216-L219 PolarHBondContact O-N 3.33Å; R216-V220 PolarHBondContact O-N 3.46Å
217Q91.3Very high92Very high42 Ų4234.2 Ų34.220%0.19618%0.175CC..Hα-helixtrans-56.5-48.4-159.5-60.4171.5-53.200113.8Y114 N147 F150 G215 L219 V220 L221Y114-Q217 HydrophobicContact CD1-CB 3.76Å; Y114-Q217 HydrophobicContact CD1-CG 4.44Å; Y114-Q217 HydrophobicContact CD2-CB 4.41Å; Y114-Q217 HydrophobicContact CE1-CB 4.07Å; Y114-Q217 HydrophobicContact CE1-CG 4.25Å; Y114-Q217 HydrophobicContact CG-CB 3.97Å; Y114-Q217 VanDerWaalsContact CZ-NE2 3.29Å; Y114-Q217 PolarHBondContact OH-NE2 3.13Å; Y114-Q217 VanDerWaalsContact OH-NE2 3.11Å; N147-Q217 PolarHBondContact OD1-NE2 2.69Å; F150-Q217 HydrophobicContact CD1-CB 4.06Å; F150-Q217 HydrophobicContact CD1-CG 3.89Å; F150-Q217 HydrophobicContact CD2-CG 3.83Å; F150-Q217 VanDerWaalsContact CE1-CA 3.41Å; F150-Q217 HydrophobicContact CE1-CB 3.54Å; F150-Q217 HydrophobicContact CE1-CG 3.72Å; F150-Q217 HydrophobicContact CE2-CB 4.24Å; F150-Q217 HydrophobicContact CE2-CG 3.67Å; F150-Q217 HydrophobicContact CG-CG 3.94Å; F150-Q217 HydrophobicContact CZ-CB 3.64Å; F150-Q217 HydrophobicContact CZ-CG 3.61Å; G215-Q217 PolarHBondContact O-N 3.42Å; Q217-L219 PolarHBondContact O-N 3.21Å; Q217-V220 PolarHBondContact O-N 2.91Å; Q217-L221 WeakPolarHBondContact O-CB 3.43Å; Q217-L221 WeakPolarHBondContact O-CG 3.46Å; Q217-L221 PolarHBondContact O-N 3.49Å
218H86.8Confident92.3Very high63 Ų6333.2 Ų33.229%0.29217%0.17SC..Hα-helixtrans-66.2-33.4-179.865.3-79.9000113.5H112 R216 G222H112-H218 HydrophobicContact CB-CB 4.16Å; H112-H218 WeakPolarHBondContact CB-ND1 3.5Å; H112-H218 AromaticContact CD2-CE1 3.6Å; H112-H218 AromaticContact CD2-NE2 3.59Å; H112-H218 AromaticContact CG-CD2 3.91Å; H112-H218 AromaticContact CG-CE1 3.76Å; H112-H218 AromaticContact CG-NE2 3.68Å; R216-H218 PolarHBondContact O-N 3.42Å; H218-G222 PolarHBondContact O-N 3.02Å
219L91.1Very high92.4Very high28 Ų2834.1 Ų34.115%0.14717%0.165CC..Hα-helixtrans-75.3-42.5177.7-59.4178.6000110.9I207 D211 R216 Q217 G222 L223I207-L219 HydrophobicContact CG1-CB 4.48Å; I207-L219 HydrophobicContact CG1-CD2 4.25Å; I207-L219 HydrophobicContact CG2-CB 4.47Å; D211-L219 HydrophobicContact CB-CD1 3.65Å; R216-L219 HydrophobicContact CB-CB 4.41Å; R216-L219 HydrophobicContact CB-CD1 4.09Å; R216-L219 HydrophobicContact CB-CG 4.35Å; R216-L219 PolarHBondContact O-N 3.33Å; Q217-L219 PolarHBondContact O-N 3.21Å; L219-G222 PolarHBondContact O-N 3.29Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 PolarHBondContact O-N 3.47Å
220V93.8Very high92.5Very high2 Ų235.3 Ų35.31%0.01217%0.17CC..Hα-helixtrans-60.2-52.5175.9169.40000110.9F150 M153 L212 R216 Q217 G222 L223 L224F150-V220 HydrophobicContact CD1-CB 4.06Å; F150-V220 HydrophobicContact CD1-CG1 3.96Å; F150-V220 HydrophobicContact CD1-CG2 4.49Å; F150-V220 HydrophobicContact CE1-CB 4.43Å; F150-V220 HydrophobicContact CE1-CG1 4.38Å; M153-V220 HydrophobicContact CB-CG1 4.34Å; M153-V220 HydrophobicContact CG-CG1 3.62Å; L212-V220 HydrophobicContact CD2-CG2 3.94Å; R216-V220 PolarHBondContact O-N 3.46Å; Q217-V220 PolarHBondContact O-N 2.91Å; V220-G222 PolarHBondContact O-N 2.82Å; V220-L223 PolarHBondContact O-N 3.43Å; V220-L224 HydrophobicContact CG1-CD1 3.76Å; V220-L224 HydrophobicContact CG1-CG 4.48Å; V220-L224 WeakPolarHBondContact O-CB 3.25Å; V220-L224 WeakPolarHBondContact O-CG 3.35Å; V220-L224 PolarHBondContact O-N 2.8Å
221L92.1Very high92.5Very high2 Ų232.5 Ų32.51%0.0116%0.163CC..Hα-helixtrans-64.6-40.1179.7-69.5168.7000112Y114 K119 F122 L149 F150 Q217 L223 L224 W225Y114-L221 HydrophobicContact CD2-CD1 3.55Å; Y114-L221 HydrophobicContact CG-CD1 3.99Å; K119-L221 HydrophobicContact CB-CD2 4.22Å; F122-L221 HydrophobicContact CD2-CD2 3.6Å; F122-L221 HydrophobicContact CE2-CB 4.5Å; F122-L221 HydrophobicContact CE2-CD2 3.99Å; L149-L221 HydrophobicContact CD2-CD2 3.62Å; F150-L221 HydrophobicContact CE1-CD1 4.1Å; F150-L221 HydrophobicContact CE1-CD2 4.41Å; F150-L221 HydrophobicContact CE1-CG 3.94Å; F150-L221 HydrophobicContact CZ-CD1 4.09Å; F150-L221 HydrophobicContact CZ-CG 4.37Å; Q217-L221 WeakPolarHBondContact O-CB 3.43Å; Q217-L221 WeakPolarHBondContact O-CG 3.46Å; Q217-L221 PolarHBondContact O-N 3.49Å; L221-L223 PolarHBondContact O-N 3.03Å; L221-L224 PolarHBondContact O-N 3.05Å; L221-W225 WeakPolarHBondContact O-CB 3.49Å; L221-W225 PolarHBondContact O-N 2.93Å
222G91.3Very high92.4Very high31 Ų3131.9 Ų31.932%0.3216%0.159SC..Hα-helixtrans-62.9-40.3176.800000113H218 L219 V220 Q226H218-G222 PolarHBondContact O-N 3.02Å; L219-G222 PolarHBondContact O-N 3.29Å; V220-G222 PolarHBondContact O-N 2.82Å; G222-Q226 WeakPolarHBondContact O-CG 3.47Å; G222-Q226 PolarHBondContact O-N 3.11Å; G222-Q226 PolarHBondContact O-NE2 3.14Å
223L94.3Very high92.3Very high1 Ų132.8 Ų32.81%0.00516%0.163CC..Hα-helixtrans-71.1-46.5176.4-177.255.3000111.8L159 L194 A197 C202 V204 I207 L212 L219 V220 L221 W225 Q226 V227L159-L223 HydrophobicContact CD1-CD2 4.41Å; L159-L223 HydrophobicContact CD1-CG 4.46Å; L159-L223 HydrophobicContact CD2-CD2 3.79Å; L194-L223 HydrophobicContact CD2-CD2 3.97Å; A197-L223 HydrophobicContact CB-CD1 4.04Å; C202-L223 HydrophobicContact CB-CD1 4.18Å; V204-L223 HydrophobicContact CG1-CD1 3.82Å; I207-L223 HydrophobicContact CD1-CB 4.12Å; L212-L223 HydrophobicContact CD1-CD2 4.18Å; L212-L223 HydrophobicContact CD2-CD2 4.17Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 PolarHBondContact O-N 3.47Å; V220-L223 PolarHBondContact O-N 3.43Å; L221-L223 PolarHBondContact O-N 3.03Å; L223-W225 VanDerWaalsContact C-N 3.33Å; L223-W225 PolarHBondContact O-N 3.27Å; L223-Q226 WeakPolarHBondContact O-CB 3.31Å; L223-Q226 PolarHBondContact O-N 3.07Å; L223-Q226 VanDerWaalsContact O-N 3.13Å; L223-V227 HydrophobicContact CD1-CG2 4.43Å; L223-V227 WeakPolarHBondContact O-CG2 3.25Å; L223-V227 PolarHBondContact O-N 3.08Å
224L94.9Very high92Very high3 Ų330.3 Ų30.32%0.01616%0.158CC..Hα-helixtrans-58.4-45.8177.5-76.5168.5000111.3F122 I126 L149 M153 L159 M162 V220 L221 Q226 V227 I228F122-L224 HydrophobicContact CD2-CB 4.23Å; I126-L224 HydrophobicContact CD1-CD1 4.45Å; I126-L224 HydrophobicContact CD1-CD2 4.32Å; L149-L224 HydrophobicContact CD1-CD1 3.97Å; L149-L224 HydrophobicContact CD2-CD1 4.25Å; L149-L224 HydrophobicContact CG-CD1 4.33Å; M153-L224 HydrophobicContact CG-CD1 4.38Å; M153-L224 HydrophobicContact SD-CD1 4.25Å; M153-L224 HydrophobicContact SD-CD2 4.06Å; L159-L224 HydrophobicContact CD1-CD2 4.12Å; M162-L224 HydrophobicContact CG-CD2 4.47Å; V220-L224 HydrophobicContact CG1-CD1 3.76Å; V220-L224 HydrophobicContact CG1-CG 4.48Å; V220-L224 WeakPolarHBondContact O-CB 3.25Å; V220-L224 WeakPolarHBondContact O-CG 3.35Å; V220-L224 PolarHBondContact O-N 2.8Å; L221-L224 PolarHBondContact O-N 3.05Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 3.31Å; L224-V227 PolarHBondContact O-N 3.49Å; L224-I228 WeakPolarHBondContact O-CB 3.24Å; L224-I228 WeakPolarHBondContact O-CG1 3.45Å; L224-I228 PolarHBondContact O-N 3.03Å
225W93.4Very high91.6Very high27 Ų2728.8 Ų28.810%0.10215%0.154CC..Hα-helixtrans-56.8-44.5175.5173-115.7000112.2F122 L221 L223 V227 I228 K229 K357 A361F122-W225 AromaticContact CE1-CE3 3.92Å; F122-W225 HydrophobicContact CE1-CE3 3.92Å; F122-W225 HydrophobicContact CE2-CB 4.14Å; F122-W225 HydrophobicContact CZ-CB 3.84Å; F122-W225 HydrophobicContact CZ-CD2 4.4Å; F122-W225 AromaticContact CZ-CE3 3.81Å; F122-W225 HydrophobicContact CZ-CE3 3.81Å; F122-W225 HydrophobicContact CZ-CG 4.45Å; L221-W225 WeakPolarHBondContact O-CB 3.49Å; L221-W225 PolarHBondContact O-N 2.93Å; L223-W225 VanDerWaalsContact C-N 3.33Å; L223-W225 PolarHBondContact O-N 3.27Å; W225-V227 PolarHBondContact O-N 3.46Å; W225-I228 PolarHBondContact O-N 3.28Å; W225-K229 HydrophobicContact CZ2-CB 4.31Å; W225-K229 HydrophobicContact CZ2-CD 4.02Å; W225-K229 HydrophobicContact CZ2-CG 4.3Å; W225-K229 WeakPolarHBondContact O-CB 3.34Å; W225-K229 PolarHBondContact O-N 2.94Å; W225-K357 HydrophobicContact CD2-CD 4.12Å; W225-K357 HydrophobicContact CG-CD 4.34Å; W225-K357 HydrophobicContact CH2-CB 3.91Å; W225-K357 WeakPolarHBondContact CH2-O 3.42Å; W225-K357 HydrophobicContact CZ2-CB 3.87Å; W225-K357 HydrophobicContact CZ2-CD 4.21Å; W225-K357 HydrophobicContact CZ2-CG 4.01Å; W225-K357 HydrophobicContact CZ3-CB 4.33Å; W225-A361 HydrophobicContact CH2-CB 4.21Å; W225-A361 HydrophobicContact CZ3-CB 4.01Å
226Q93.8Very high91.5Very high41 Ų4128.5 Ų28.519%0.19215%0.15CC..Hα-helixtrans-62.2-43.2178.5-74.4179.880.100112.1C202 H203 G222 L223 L224 I230C202-Q226 HydrophobicContact CB-CB 4.38Å; H203-Q226 PolarHBondContact O-NE2 3.28Å; G222-Q226 WeakPolarHBondContact O-CG 3.47Å; G222-Q226 PolarHBondContact O-N 3.11Å; G222-Q226 PolarHBondContact O-NE2 3.14Å; L223-Q226 WeakPolarHBondContact O-CB 3.31Å; L223-Q226 PolarHBondContact O-N 3.07Å; L223-Q226 VanDerWaalsContact O-N 3.13Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 3.31Å; Q226-I230 WeakPolarHBondContact O-CD1 3.44Å; Q226-I230 VanDerWaalsContact O-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.49Å; Q226-I230 PolarHBondContact O-N 3.19Å; Q226-I230 VanDerWaalsContact O-N 3.11Å
227V95.5Very high91.1Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-63.7-50.9177.3173.30000110.4M162 I163 S166 L223 L224 W225 K229 I230 G231M162-V227 HydrophobicContact CB-CG1 4.27Å; I163-V227 HydrophobicContact CG1-CG1 4.19Å; I163-V227 HydrophobicContact CG1-CG2 4.15Å; S166-V227 WeakPolarHBondContact CB-O 3.41Å; S166-V227 WeakPolarHBondContact OG-CG1 3.38Å; S166-V227 PolarHBondContact OG-O 2.83Å; L223-V227 HydrophobicContact CD1-CG2 4.43Å; L223-V227 WeakPolarHBondContact O-CG2 3.25Å; L223-V227 PolarHBondContact O-N 3.08Å; L224-V227 PolarHBondContact O-N 3.49Å; W225-V227 PolarHBondContact O-N 3.46Å; V227-K229 VanDerWaalsContact C-N 3.33Å; V227-K229 PolarHBondContact O-N 2.9Å; V227-I230 PolarHBondContact O-N 3.46Å; V227-G231 PolarHBondContact O-N 3.43Å
228I93.2Very high90.6Very high2 Ų223.9 Ų23.91%0.0113%0.133CC..Hα-helixtrans-55-49.4177.2-69.4169.9000110.8F122 W125 L224 W225 I230 G231 L232 F345F122-I228 HydrophobicContact CB-CD1 4.49Å; F122-I228 HydrophobicContact CD1-CD1 3.59Å; F122-I228 HydrophobicContact CE1-CD1 3.92Å; F122-I228 HydrophobicContact CG-CD1 3.95Å; W125-I228 HydrophobicContact CE3-CD1 3.76Å; W125-I228 HydrophobicContact CE3-CG1 3.93Å; W125-I228 HydrophobicContact CH2-CD1 4.46Å; W125-I228 HydrophobicContact CH2-CG1 3.7Å; W125-I228 HydrophobicContact CZ3-CD1 3.65Å; W125-I228 HydrophobicContact CZ3-CG1 3.33Å; L224-I228 WeakPolarHBondContact O-CB 3.24Å; L224-I228 WeakPolarHBondContact O-CG1 3.45Å; L224-I228 PolarHBondContact O-N 3.03Å; W225-I228 PolarHBondContact O-N 3.28Å; I228-I230 VanDerWaalsContact C-N 3.33Å; I228-I230 PolarHBondContact O-N 3.43Å; I228-G231 PolarHBondContact O-N 2.9Å; I228-G231 VanDerWaalsContact O-N 3.17Å; I228-L232 HydrophobicContact CG2-CD1 3.7Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CG 3.46Å; I228-L232 PolarHBondContact O-N 3.09Å; I228-F345 HydrophobicContact CG2-CE1 3.7Å; I228-F345 HydrophobicContact CG2-CZ 4.18Å
229K92.3Very high90.1Very high49 Ų4922.8 Ų22.821%0.21313%0.132CC..Hα-helixtrans-60.6-41.4-178.2-174.3-179.9-179.7-1760112.1W225 V227 G231 L232 F233 E263W225-K229 HydrophobicContact CZ2-CB 4.31Å; W225-K229 HydrophobicContact CZ2-CD 4.02Å; W225-K229 HydrophobicContact CZ2-CG 4.3Å; W225-K229 WeakPolarHBondContact O-CB 3.34Å; W225-K229 PolarHBondContact O-N 2.94Å; V227-K229 VanDerWaalsContact C-N 3.33Å; V227-K229 PolarHBondContact O-N 2.9Å; K229-G231 VanDerWaalsContact C-N 3.34Å; K229-G231 PolarHBondContact O-N 3.09Å; K229-L232 PolarHBondContact O-N 3.4Å; K229-F233 HydrophobicContact CD-CE2 4.28Å; K229-F233 HydrophobicContact CG-CD2 3.99Å; K229-F233 HydrophobicContact CG-CE2 3.93Å; K229-F233 HydrophobicContact CG-CG 4.46Å; K229-F233 HydrophobicContact CG-CZ 4.32Å; K229-F233 WeakPolarHBondContact O-CB 3.21Å; K229-F233 WeakPolarHBondContact O-CG 3.47Å; K229-F233 PolarHBondContact O-N 2.93Å; K229-F233 VanDerWaalsContact O-N 3.09Å; K229-E263 WeakPolarHBondContact CE-OE1 3.21Å; K229-E263 IonicContact NZ-OE1 3.74Å; K229-E263 PolarHBondContact NZ-OE1 3.04Å
230I92.1Very high89.5Confident30 Ų3028.4 Ų28.415%0.15415%0.152CC..Hα-helixtrans-59.9-46.6176.1-72163.8000110.5V167 I200 C202 Q226 V227 I228 F233 A234V167-I230 HydrophobicContact CG2-CG2 3.65Å; I200-I230 HydrophobicContact CD1-CD1 3.92Å; I200-I230 HydrophobicContact CD1-CG2 4.41Å; I200-I230 HydrophobicContact CG1-CD1 4Å; I200-I230 WeakPolarHBondContact O-CD1 3.48Å; C202-I230 VanDerWaalsContact SG-CD1 3.51Å; Q226-I230 WeakPolarHBondContact O-CD1 3.44Å; Q226-I230 VanDerWaalsContact O-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.49Å; Q226-I230 PolarHBondContact O-N 3.19Å; Q226-I230 VanDerWaalsContact O-N 3.11Å; V227-I230 PolarHBondContact O-N 3.46Å; I228-I230 VanDerWaalsContact C-N 3.33Å; I228-I230 PolarHBondContact O-N 3.43Å; I230-F233 PolarHBondContact O-N 3.43Å; I230-A234 PolarHBondContact O-N 3.09Å; I230-A234 VanDerWaalsContact O-N 3.13Å
231G91.8Very high88.9Confident20 Ų2030 Ų3021%0.20616%0.16CC..Hα-helixtrans-65.8-44.4179.200000113.2S166 V227 I228 K229 F233 A234S166-G231 WeakPolarHBondContact O-CA 3.49Å; V227-G231 PolarHBondContact O-N 3.43Å; I228-G231 PolarHBondContact O-N 2.9Å; I228-G231 VanDerWaalsContact O-N 3.17Å; K229-G231 VanDerWaalsContact C-N 3.34Å; K229-G231 PolarHBondContact O-N 3.09Å; G231-F233 PolarHBondContact O-N 3.49Å; G231-A234 WeakPolarHBondContact O-CB 3.37Å; G231-A234 PolarHBondContact O-N 3.38Å
232L91.7Very high88.4Confident15 Ų1534.1 Ų34.18%0.07918%0.179CC..Hα-helixtrans-62.5-32.7179-73177.3000112.7I228 K229 I236 F345 A361 A364 N365 N368I228-L232 HydrophobicContact CG2-CD1 3.7Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CG 3.46Å; I228-L232 PolarHBondContact O-N 3.09Å; K229-L232 PolarHBondContact O-N 3.4Å; L232-I236 WeakPolarHBondContact O-CD1 3.49Å; L232-F345 HydrophobicContact CD1-CE1 4.28Å; L232-F345 HydrophobicContact CD1-CE2 4.15Å; L232-F345 HydrophobicContact CD1-CZ 3.84Å; L232-F345 HydrophobicContact CD2-CE2 3.99Å; L232-F345 HydrophobicContact CD2-CZ 3.95Å; L232-F345 HydrophobicContact CG-CZ 4.3Å; L232-A361 HydrophobicContact CD1-CB 3.68Å; L232-A364 HydrophobicContact CB-CB 4.09Å; L232-A364 HydrophobicContact CD1-CB 4.47Å; L232-N365 HydrophobicContact CD2-CB 4.49Å; L232-N368 PolarHBondContact O-ND2 2.98Å
233F91.3Very high88Confident22 Ų2233.6 Ų33.610%0.09617%0.172CC..Hα-helixtrans-96.5-3.2-175.2-69.13.9000113.5K229 I230 G231 D235 I236 P262 E263 L266 L360 A364K229-F233 HydrophobicContact CD-CE2 4.28Å; K229-F233 HydrophobicContact CG-CD2 3.99Å; K229-F233 HydrophobicContact CG-CE2 3.93Å; K229-F233 HydrophobicContact CG-CG 4.46Å; K229-F233 HydrophobicContact CG-CZ 4.32Å; K229-F233 WeakPolarHBondContact O-CB 3.21Å; K229-F233 WeakPolarHBondContact O-CG 3.47Å; K229-F233 PolarHBondContact O-N 2.93Å; K229-F233 VanDerWaalsContact O-N 3.09Å; I230-F233 PolarHBondContact O-N 3.43Å; G231-F233 PolarHBondContact O-N 3.49Å; F233-D235 PolarHBondContact O-N 3.24Å; F233-I236 HydrophobicContact CD1-CD1 3.69Å; F233-I236 HydrophobicContact CE1-CD1 4.26Å; F233-I236 HydrophobicContact CG-CD1 4.39Å; F233-I236 PolarHBondContact O-N 3.19Å; F233-I236 VanDerWaalsContact O-N 3.16Å; F233-P262 HydrophobicContact CB-CB 3.89Å; F233-P262 HydrophobicContact CB-CG 4.14Å; F233-P262 HydrophobicContact CD1-CB 4.45Å; F233-P262 HydrophobicContact CD2-CB 3.41Å; F233-P262 VanDerWaalsContact CD2-CB 3.41Å; F233-P262 HydrophobicContact CD2-CG 3.95Å; F233-P262 HydrophobicContact CE2-CB 3.92Å; F233-P262 HydrophobicContact CG-CB 3.69Å; F233-P262 HydrophobicContact CG-CG 4.35Å; F233-E263 VanDerWaalsContact CE2-CD 3.48Å; F233-E263 HydrophobicContact CE2-CG 3.76Å; F233-E263 HydrophobicContact CZ-CG 3.99Å; F233-L266 HydrophobicContact CD1-CD1 4.5Å; F233-L266 HydrophobicContact CE1-CD1 3.82Å; F233-L266 HydrophobicContact CZ-CD1 4.29Å; F233-L360 HydrophobicContact CE1-CG 4.35Å; F233-L360 HydrophobicContact CZ-CD1 4.04Å; F233-L360 HydrophobicContact CZ-CD2 3.82Å; F233-L360 HydrophobicContact CZ-CG 3.83Å; F233-A364 HydrophobicContact CD1-CB 4.14Å; F233-A364 HydrophobicContact CE1-CB 3.8Å
234A86.6Confident87.6Confident31 Ų3133.5 Ų33.526%0.25617%0.171SC..THydrogen-bonded Turntrans-58-35.7-175.800000112.8I230 G231 R240I230-A234 PolarHBondContact O-N 3.09Å; I230-A234 VanDerWaalsContact O-N 3.13Å; G231-A234 WeakPolarHBondContact O-CB 3.37Å; G231-A234 PolarHBondContact O-N 3.38Å; A234-R240 WeakPolarHBondContact O-CD 3.48Å; A234-R240 PolarHBondContact O-NE 3.47Å
235D83.9Confident87.1Confident78 Ų7833.4 Ų33.442%0.41717%0.171SC..THydrogen-bonded Turntrans-1024.9-177.9-59.4-38.5000113.5F233 E237 R240F233-D235 PolarHBondContact O-N 3.24Å; D235-E237 PolarHBondContact O-N 3.39Å; D235-E237 VanDerWaalsContact O-N 3.15Å; D235-R240 IonicContact OD1-NH1 2.72Å; D235-R240 PolarHBondContact OD1-NH1 3.28Å
236I88.8Confident86.8Confident2 Ų233.2 Ų33.21%0.0118%0.175CC..  trans-92.957.5178.5-45.1-176.5000108.9L232 F233 P262 L265 L266 A364 F367L232-I236 WeakPolarHBondContact O-CD1 3.49Å; F233-I236 HydrophobicContact CD1-CD1 3.69Å; F233-I236 HydrophobicContact CE1-CD1 4.26Å; F233-I236 HydrophobicContact CG-CD1 4.39Å; F233-I236 PolarHBondContact O-N 3.19Å; F233-I236 VanDerWaalsContact O-N 3.16Å; I236-P262 HydrophobicContact CB-CB 4.28Å; I236-P262 HydrophobicContact CG2-CB 4.29Å; I236-L265 HydrophobicContact CG2-CB 4.09Å; I236-L266 HydrophobicContact CD1-CD1 3.66Å; I236-L266 HydrophobicContact CD1-CD2 3.76Å; I236-L266 HydrophobicContact CD1-CG 3.75Å; I236-L266 HydrophobicContact CG2-CD2 4.28Å; I236-L266 HydrophobicContact CG2-CG 4.11Å; I236-A364 HydrophobicContact CD1-CB 4.04Å; I236-F367 HydrophobicContact CB-CE1 4.27Å; I236-F367 HydrophobicContact CD1-CD1 4.14Å; I236-F367 HydrophobicContact CG1-CD1 3.75Å; I236-F367 HydrophobicContact CG1-CE1 3.85Å; I236-F367 HydrophobicContact CG2-CD1 4.48Å; I236-F367 HydrophobicContact CG2-CE1 4.23Å
237E82.9Confident86.5Confident50 Ų5031.6 Ų31.623%0.23417%0.168CC..SBendtrans-148140.6180-165.2-169.2144.800109.1D235 S239 R240 N241D235-E237 PolarHBondContact O-N 3.39Å; D235-E237 VanDerWaalsContact O-N 3.15Å; E237-S239 PolarHBondContact O-N 3.31Å; E237-S239 PolarHBondContact OE1-OG 2.86Å; E237-R240 PolarHBondContact O-N 3.33Å; E237-R240 VanDerWaalsContact O-N 3.07Å; E237-N241 PolarHBondContact O-N 2.97Å
238I80.1Confident86.1Confident4 Ų433.6 Ų33.62%0.02118%0.178CC..THydrogen-bonded Turntrans-60.6-35-175.4-62.9162.4000111.8R240 N241 E242 L244 I245 L254 L257 M258 I386I238-R240 PolarHBondContact O-N 3.26Å; I238-N241 CarbonylContact O-C 3.52Å; I238-N241 PolarHBondContact O-N 3.14Å; I238-E242 PolarHBondContact O-N 3.3Å; I238-L244 HydrophobicContact CG1-CB 3.91Å; I238-L244 HydrophobicContact CG1-CD1 4.46Å; I238-I245 HydrophobicContact CG2-CD1 4.35Å; I238-I245 HydrophobicContact CG2-CG1 3.86Å; I238-L254 HydrophobicContact CD1-CD1 4.33Å; I238-L257 HydrophobicContact CD1-CB 4.14Å; I238-L257 HydrophobicContact CD1-CD2 3.69Å; I238-L257 HydrophobicContact CD1-CG 3.77Å; I238-L257 HydrophobicContact CG1-CD2 4.47Å; I238-M258 HydrophobicContact CD1-CB 4.42Å; I238-M258 HydrophobicContact CD1-CG 3.66Å; I238-I386 HydrophobicContact CG2-CD1 4.48Å; I238-I386 HydrophobicContact CG2-CG2 4.11Å
239S77.6Confident85.8Confident40 Ų4039.5 Ų39.528%0.2820%0.2SC..THydrogen-bonded Turntrans-63.4-22.3179.265.30000113.6E237E237-S239 PolarHBondContact O-N 3.31Å; E237-S239 PolarHBondContact OE1-OG 2.86Å
240R78.7Confident85.2Confident147 Ų14745.5 Ų45.556%0.55524%0.235SC*.THydrogen-bonded Turntrans-106-30.1178.7-70.6175.4171.9-112-1.6112.9A234 D235 E237 I238A234-R240 WeakPolarHBondContact O-CD 3.48Å; A234-R240 PolarHBondContact O-NE 3.47Å; D235-R240 IonicContact OD1-NH1 2.72Å; D235-R240 PolarHBondContact OD1-NH1 3.28Å; E237-R240 PolarHBondContact O-N 3.33Å; E237-R240 VanDerWaalsContact O-N 3.07Å; I238-R240 PolarHBondContact O-N 3.26Å
241N81.7Confident84.6Confident35 Ų3548.5 Ų48.519%0.18727%0.273CS..  trans-130.988.9179-170.2-15.4000110.3E237 I238 A243 L244 F367E237-N241 PolarHBondContact O-N 2.97Å; I238-N241 CarbonylContact O-C 3.52Å; I238-N241 PolarHBondContact O-N 3.14Å; N241-A243 PolarHBondContact O-N 3.5Å; N241-A243 VanDerWaalsContact OD1-CB 3.23Å; N241-A243 WeakPolarHBondContact OD1-CB 3.36Å; N241-A243 PolarHBondContact OD1-N 2.96Å; N241-L244 HydrophobicContact CB-CD1 4.16Å; N241-L244 HydrophobicContact CB-CG 4.36Å; N241-L244 WeakPolarHBondContact O-CB 3.26Å; N241-L244 PolarHBondContact O-N 3.46Å; N241-L244 VanDerWaalsContact O-N 3.07Å; N241-F367 WeakPolarHBondContact ND2-CZ 3.45Å
242E79.6Confident84.2Confident89 Ų8949.9 Ų49.942%0.41627%0.274SS..G310 helixtrans-58-22.1179.2-64.9-178.2-174.800113.1I238 L244 I245 K375 W383I238-E242 PolarHBondContact O-N 3.3Å; E242-L244 PolarHBondContact O-N 2.92Å; E242-L244 VanDerWaalsContact O-N 3.17Å; E242-I245 HydrophobicContact CB-CD1 4.41Å; E242-I245 VanDerWaalsContact O-CB 3.26Å; E242-I245 WeakPolarHBondContact O-CB 3.39Å; E242-I245 WeakPolarHBondContact O-CD1 3.33Å; E242-I245 WeakPolarHBondContact O-CG1 3.45Å; E242-I245 PolarHBondContact O-N 3.49Å; E242-I245 VanDerWaalsContact O-N 3.07Å; E242-K375 IonicContact OE2-NZ 3.16Å; E242-K375 PolarHBondContact OE2-NZ 3.11Å; E242-W383 HydrophobicContact CB-CZ3 4.27Å; E242-W383 HydrophobicContact CG-CZ3 4.07Å; E242-W383 WeakPolarHBondContact OE2-CZ3 3.47Å
243A83.3Confident83.9Confident19 Ų1951.6 Ų51.616%0.15729%0.287CS..G310 helixtrans-64-21.8179.200000112.1N241 I245 A246 L373N241-A243 PolarHBondContact O-N 3.5Å; N241-A243 VanDerWaalsContact OD1-CB 3.23Å; N241-A243 WeakPolarHBondContact OD1-CB 3.36Å; N241-A243 PolarHBondContact OD1-N 2.96Å; A243-I245 PolarHBondContact O-N 2.95Å; A243-I245 VanDerWaalsContact O-N 3.15Å; A243-A246 VanDerWaalsContact O-CB 3.24Å; A243-A246 WeakPolarHBondContact O-CB 3.49Å; A243-A246 PolarHBondContact O-N 2.97Å; A243-L373 HydrophobicContact CB-CB 3.75Å; A243-L373 HydrophobicContact CB-CD1 4.48Å; A243-L373 VanDerWaalsContact O-CD1 3.27Å; A243-L373 WeakPolarHBondContact O-CD1 3.41Å
244L86.6Confident83.3Confident0 Ų051.8 Ų51.80%029%0.289CS..G310 helixtrans-59.4-21.2173.3-73.9170.3000113.5I238 N241 E242 A246 L247 F367 L373I238-L244 HydrophobicContact CG1-CB 3.91Å; I238-L244 HydrophobicContact CG1-CD1 4.46Å; N241-L244 HydrophobicContact CB-CD1 4.16Å; N241-L244 HydrophobicContact CB-CG 4.36Å; N241-L244 WeakPolarHBondContact O-CB 3.26Å; N241-L244 PolarHBondContact O-N 3.46Å; N241-L244 VanDerWaalsContact O-N 3.07Å; E242-L244 PolarHBondContact O-N 2.92Å; E242-L244 VanDerWaalsContact O-N 3.17Å; L244-A246 PolarHBondContact O-N 3.34Å; L244-L247 HydrophobicContact CD2-CD1 3.58Å; L244-L247 VanDerWaalsContact O-CB 3.23Å; L244-L247 WeakPolarHBondContact O-CB 3.41Å; L244-L247 WeakPolarHBondContact O-CG 3.27Å; L244-L247 PolarHBondContact O-N 3.49Å; L244-F367 HydrophobicContact CD1-CZ 4.16Å; L244-F367 HydrophobicContact CD2-CE2 3.6Å; L244-F367 HydrophobicContact CD2-CZ 3.5Å; L244-F367 VanDerWaalsContact CD2-CZ 3.5Å; L244-F367 HydrophobicContact CG-CE2 4.41Å; L244-F367 HydrophobicContact CG-CZ 3.9Å; L244-L373 HydrophobicContact CD2-CD1 4.13Å
245I84.9Confident83Confident1 Ų156 Ų561%0.00530%0.304CS..G310 helixtrans-57-30.4173.3-66.2170.5000111.3I238 E242 A243 L247 L248 L254 P376 I381 W383 I386I238-I245 HydrophobicContact CG2-CD1 4.35Å; I238-I245 HydrophobicContact CG2-CG1 3.86Å; E242-I245 HydrophobicContact CB-CD1 4.41Å; E242-I245 VanDerWaalsContact O-CB 3.26Å; E242-I245 WeakPolarHBondContact O-CB 3.39Å; E242-I245 WeakPolarHBondContact O-CD1 3.33Å; E242-I245 WeakPolarHBondContact O-CG1 3.45Å; E242-I245 PolarHBondContact O-N 3.49Å; E242-I245 VanDerWaalsContact O-N 3.07Å; A243-I245 PolarHBondContact O-N 2.95Å; A243-I245 VanDerWaalsContact O-N 3.15Å; I245-L247 PolarHBondContact O-N 2.8Å; I245-L248 VanDerWaalsContact O-CB 3.27Å; I245-L248 WeakPolarHBondContact O-CB 3.44Å; I245-L248 PolarHBondContact O-N 2.98Å; I245-L254 HydrophobicContact CG1-CD1 4.21Å; I245-P376 HydrophobicContact CG2-CG 4.03Å; I245-I381 HydrophobicContact CD1-CD1 4.3Å; I245-I381 HydrophobicContact CG2-CD1 3.38Å; I245-W383 HydrophobicContact CD1-CH2 3.56Å; I245-W383 HydrophobicContact CD1-CZ3 3.49Å; I245-W383 VanDerWaalsContact CD1-CZ3 3.49Å; I245-I386 HydrophobicContact CD1-CD1 3.85Å
246A86.3Confident82.9Confident23 Ų2355.6 Ų55.619%0.1930%0.301CS..G310 helixtrans-59.4-17.1175.700000113.4A243 L244 L248 L373 K374A243-A246 VanDerWaalsContact O-CB 3.24Å; A243-A246 WeakPolarHBondContact O-CB 3.49Å; A243-A246 PolarHBondContact O-N 2.97Å; L244-A246 PolarHBondContact O-N 3.34Å; A246-L248 VanDerWaalsContact C-N 3.31Å; A246-L373 HydrophobicContact CB-CB 4.31Å; A246-L373 HydrophobicContact CB-CD2 4.44Å; A246-K374 WeakPolarHBondContact CB-O 3.14Å
247L88.3Confident82.7Confident7 Ų755.5 Ų55.54%0.03730%0.301CS..G310 helixtrans-80-10.1177.3-56.9-179.3000113.2L244 I245 R249 L257 R268 W269 Y272 L373L244-L247 HydrophobicContact CD2-CD1 3.58Å; L244-L247 VanDerWaalsContact O-CB 3.23Å; L244-L247 WeakPolarHBondContact O-CB 3.41Å; L244-L247 WeakPolarHBondContact O-CG 3.27Å; L244-L247 PolarHBondContact O-N 3.49Å; I245-L247 PolarHBondContact O-N 2.8Å; L247-R249 PolarHBondContact O-N 3.4Å; L247-L257 HydrophobicContact CB-CD1 4.38Å; L247-R268 HydrophobicContact CB-CG 4.15Å; L247-R268 PolarHBondContact O-NE 3.3Å; L247-R268 PolarHBondContact O-NH2 3.33Å; L247-W269 HydrophobicContact CD1-CB 3.95Å; L247-W269 HydrophobicContact CD2-CB 4.35Å; L247-Y272 HydrophobicContact CD2-CD1 4.41Å; L247-Y272 HydrophobicContact CD2-CD2 4.26Å; L247-Y272 HydrophobicContact CD2-CG 3.86Å; L247-L373 HydrophobicContact CD1-CD1 4.45Å; L247-L373 HydrophobicContact CD2-CD1 4.23Å; L247-L373 HydrophobicContact CD2-CD2 3.92Å; L247-L373 HydrophobicContact CG-CD1 4.13Å
248L87.1Confident82.6Confident41 Ų4155.7 Ų55.722%0.21530%0.303CS..PPolyproline II helixtrans-57.2134.5179.7-166.572000111I245 A246 E252 S253 L257I245-L248 VanDerWaalsContact O-CB 3.27Å; I245-L248 WeakPolarHBondContact O-CB 3.44Å; I245-L248 PolarHBondContact O-N 2.98Å; A246-L248 VanDerWaalsContact C-N 3.31Å; L248-E252 HydrophobicContact CD1-CB 4.16Å; L248-E252 HydrophobicContact CD1-CG 4.11Å; L248-S253 WeakPolarHBondContact CD1-O 3.25Å; L248-L257 HydrophobicContact CB-CD2 4.38Å; L248-L257 HydrophobicContact CD1-CB 4Å; L248-L257 HydrophobicContact CD1-CD2 4.27Å
249R85.7Confident82.7Confident126 Ų12659.5 Ų59.548%0.47532%0.319SS..PPolyproline II helixtrans-99.7158.8-178.4-83.2165-172.51772.6110.4L247 G251 E252 R268L247-R249 PolarHBondContact O-N 3.4Å; R249-G251 PolarHBondContact O-N 3.4Å; R249-E252 PolarHBondContact N-OE2 2.91Å; R249-E252 WeakPolarHBondContact O-CB 3.47Å; R249-E252 PolarHBondContact O-N 3.23Å; R249-E252 VanDerWaalsContact O-N 3.1Å; R249-R268 VanDerWaalsContact CB-NH2 3.28Å; R249-R268 VanDerWaalsContact CD-NH2 3.3Å
250D79.3Confident83.2Confident175 Ų17559.3 Ų59.394%0.93631%0.314SS*.THydrogen-bonded Turntrans-55.5123.9174.7-64.5-33.1000111.5
251G79.5Confident83.7Confident93 Ų9353.1 Ų53.196%0.95929%0.294SS*.THydrogen-bonded Turntrans83.83.8178.500000115.6R249R249-G251 PolarHBondContact O-N 3.4Å
252E84.8Confident84.1Confident49 Ų4952.3 Ų52.323%0.22929%0.29CS..  trans-97.6144.6174.1-171.3-175.4-138.600111.3L248 R249 D256 R268L248-E252 HydrophobicContact CD1-CB 4.16Å; L248-E252 HydrophobicContact CD1-CG 4.11Å; R249-E252 PolarHBondContact N-OE2 2.91Å; R249-E252 WeakPolarHBondContact O-CB 3.47Å; R249-E252 PolarHBondContact O-N 3.23Å; R249-E252 VanDerWaalsContact O-N 3.1Å; E252-D256 HydrophobicContact CG-CB 3.55Å; E252-R268 IonicContact OE1-CZ 2.72Å; E252-R268 IonicContact OE1-NH1 3.44Å; E252-R268 PolarHBondContact OE1-NH1 3Å; E252-R268 IonicContact OE1-NH2 2.91Å; E252-R268 IonicContact OE2-CZ 3.11Å; E252-R268 IonicContact OE2-NH1 3.21Å; E252-R268 PolarHBondContact OE2-NH1 3.13Å; E252-R268 IonicContact OE2-NH2 2.75Å; E252-R268 PolarHBondContact OE2-NH2 3.48Å
253S84Confident84.7Confident51 Ų5150.5 Ų50.536%0.35728%0.282SS..  trans-87.7157.9173.7740000111.9L248 E255 D256 L257L248-S253 WeakPolarHBondContact CD1-O 3.25Å; S253-E255 PolarHBondContact O-N 3.02Å; S253-D256 WeakPolarHBondContact CB-OD2 3.15Å; S253-D256 PolarHBondContact N-OD2 3.06Å; S253-D256 VanDerWaalsContact N-OD2 3.09Å; S253-D256 WeakPolarHBondContact O-CB 3.33Å; S253-D256 PolarHBondContact O-N 3.42Å; S253-D256 VanDerWaalsContact O-N 3.11Å; S253-D256 PolarHBondContact OG-N 3.3Å; S253-D256 PolarHBondContact OG-OD2 2.87Å; S253-L257 PolarHBondContact O-N 2.88Å
254L80.6Confident85.1Confident26 Ų2654.3 Ų54.314%0.13630%0.297CS..Hα-helixtrans-58.2-34.7173.8-177.263000112I238 I245 D256 L257 M258 I381 I386I238-L254 HydrophobicContact CD1-CD1 4.33Å; I245-L254 HydrophobicContact CG1-CD1 4.21Å; L254-D256 VanDerWaalsContact C-N 3.3Å; L254-D256 PolarHBondContact O-N 3.42Å; L254-L257 PolarHBondContact O-N 3.17Å; L254-M258 HydrophobicContact CG-CG 4.44Å; L254-M258 HydrophobicContact CG-SD 4.26Å; L254-M258 WeakPolarHBondContact O-CG 3.36Å; L254-M258 PolarHBondContact O-N 2.98Å; L254-I381 HydrophobicContact CD2-CG2 3.82Å; L254-I386 HydrophobicContact CD2-CD1 3.97Å; L254-I386 HydrophobicContact CD2-CG1 3.86Å
255E78.4Confident85.4Confident121 Ų12154.6 Ų54.657%0.56530%0.298SS*.Hα-helixtrans-63.8-36178-160.8-167.9141.200112S253 M258 K259S253-E255 PolarHBondContact O-N 3.02Å; E255-M258 PolarHBondContact O-N 3.33Å; E255-K259 VanDerWaalsContact O-CG 3.29Å; E255-K259 WeakPolarHBondContact O-CG 3.15Å; E255-K259 PolarHBondContact O-N 3.31Å; E255-K259 VanDerWaalsContact O-N 3.16Å; E255-K259 VanDerWaalsContact OE1-CE 3.28Å; E255-K259 WeakPolarHBondContact OE1-CE 3.17Å; E255-K259 IonicContact OE1-NZ 2.73Å; E255-K259 PolarHBondContact OE1-NZ 3.32Å
256D82.7Confident85.9Confident68 Ų6854.6 Ų54.636%0.36430%0.298SS..Hα-helixtrans-67.7-39176-59.7-47.9000111.2E252 S253 L254 K259E252-D256 HydrophobicContact CG-CB 3.55Å; S253-D256 WeakPolarHBondContact CB-OD2 3.15Å; S253-D256 PolarHBondContact N-OD2 3.06Å; S253-D256 VanDerWaalsContact N-OD2 3.09Å; S253-D256 WeakPolarHBondContact O-CB 3.33Å; S253-D256 PolarHBondContact O-N 3.42Å; S253-D256 VanDerWaalsContact O-N 3.11Å; S253-D256 PolarHBondContact OG-N 3.3Å; S253-D256 PolarHBondContact OG-OD2 2.87Å; L254-D256 VanDerWaalsContact C-N 3.3Å; L254-D256 PolarHBondContact O-N 3.42Å; D256-K259 PolarHBondContact O-N 2.91Å
257L84.4Confident86.3Confident0 Ų055.4 Ų55.40%030%0.299CS..Hα-helixtrans-66.9-39.7175.2-167.573.3000111.5I238 L247 L248 S253 L254 K259 L260 L265 R268I238-L257 HydrophobicContact CD1-CB 4.14Å; I238-L257 HydrophobicContact CD1-CD2 3.69Å; I238-L257 HydrophobicContact CD1-CG 3.77Å; I238-L257 HydrophobicContact CG1-CD2 4.47Å; L247-L257 HydrophobicContact CB-CD1 4.38Å; L248-L257 HydrophobicContact CB-CD2 4.38Å; L248-L257 HydrophobicContact CD1-CB 4Å; L248-L257 HydrophobicContact CD1-CD2 4.27Å; S253-L257 PolarHBondContact O-N 2.88Å; L254-L257 PolarHBondContact O-N 3.17Å; L257-K259 PolarHBondContact O-N 3.45Å; L257-L260 HydrophobicContact CD1-CD1 3.94Å; L257-L260 WeakPolarHBondContact O-CB 3.41Å; L257-L260 PolarHBondContact O-N 2.73Å; L257-L265 HydrophobicContact CD1-CD2 4.18Å; L257-L265 HydrophobicContact CG-CD2 4.32Å; L257-R268 VanDerWaalsContact CD1-CZ 3.44Å
258M81.3Confident86.6Confident55 Ų5555.9 Ų55.927%0.27130%0.3SS..Hα-helixtrans-65.1-23.8176.3-73.3178.474.800113.1I238 L254 E255 L260 H411I238-M258 HydrophobicContact CD1-CB 4.42Å; I238-M258 HydrophobicContact CD1-CG 3.66Å; L254-M258 HydrophobicContact CG-CG 4.44Å; L254-M258 HydrophobicContact CG-SD 4.26Å; L254-M258 WeakPolarHBondContact O-CG 3.36Å; L254-M258 PolarHBondContact O-N 2.98Å; E255-M258 PolarHBondContact O-N 3.33Å; M258-L260 VanDerWaalsContact C-N 3.29Å; M258-H411 PolarHBondContact O-CD2 3.44Å; M258-H411 VanDerWaalsContact O-CD2 3.28Å; M258-H411 PolarHBondContact O-CE1 3.5Å; M258-H411 PolarHBondContact O-ND1 2.73Å; M258-H411 PolarHBondContact O-NE2 3.27Å
259K82.4Confident87Confident84 Ų8454 Ų5437%0.36529%0.29SS..THydrogen-bonded Turntrans-78.1-12.9177.2-74166-174.8160.90113.6E255 D256 L257 H411 A414E255-K259 VanDerWaalsContact O-CG 3.29Å; E255-K259 WeakPolarHBondContact O-CG 3.15Å; E255-K259 PolarHBondContact O-N 3.31Å; E255-K259 VanDerWaalsContact O-N 3.16Å; E255-K259 VanDerWaalsContact OE1-CE 3.28Å; E255-K259 WeakPolarHBondContact OE1-CE 3.17Å; E255-K259 IonicContact OE1-NZ 2.73Å; E255-K259 PolarHBondContact OE1-NZ 3.32Å; D256-K259 PolarHBondContact O-N 2.91Å; L257-K259 PolarHBondContact O-N 3.45Å; K259-H411 PolarHBondContact O-CD2 2.93Å; K259-A414 HydrophobicContact CD-CB 4.44Å; K259-A414 HydrophobicContact CG-CB 3.86Å
260L87.4Confident87.5Confident35 Ų3548 Ų4818%0.18327%0.267CS..SBendtrans-68.8139.5-179.2-63.8-175.8000111L257 M258 E264 L265 H411L257-L260 HydrophobicContact CD1-CD1 3.94Å; L257-L260 WeakPolarHBondContact O-CB 3.41Å; L257-L260 PolarHBondContact O-N 2.73Å; M258-L260 VanDerWaalsContact C-N 3.29Å; L260-E264 HydrophobicContact CB-CB 4.02Å; L260-E264 HydrophobicContact CD2-CB 4.17Å; L260-E264 HydrophobicContact CG-CB 4.47Å; L260-L265 HydrophobicContact CB-CD2 4.06Å; L260-L265 HydrophobicContact CB-CG 3.91Å; L260-L265 HydrophobicContact CD1-CD2 4.08Å; L260-H411 PolarHBondContact O-NE2 3.17Å
261S88.6Confident88.3Confident18 Ų1840 Ų4013%0.12623%0.225CC..  trans-65156.8168.160.10000111.1E263 E264 L265S261-E263 PolarHBondContact O-N 3.04Å; S261-E264 WeakPolarHBondContact CB-OE2 3.48Å; S261-E264 PolarHBondContact N-OE2 3.5Å; S261-E264 PolarHBondContact O-N 3.31Å; S261-E264 VanDerWaalsContact OG-CD 3.22Å; S261-E264 VanDerWaalsContact OG-CG 3.26Å; S261-E264 WeakPolarHBondContact OG-CG 3.28Å; S261-E264 PolarHBondContact OG-N 2.83Å; S261-E264 PolarHBondContact OG-OE2 3.32Å; S261-L265 PolarHBondContact O-N 3.4Å
262P90.7Very high89.1Confident17 Ų1738.9 Ų38.911%0.1119%0.192CC..Hα-helixtrans-53.6-35.9174.1-28.836.8000113.4F233 I236 L265 L266F233-P262 HydrophobicContact CB-CB 3.89Å; F233-P262 HydrophobicContact CB-CG 4.14Å; F233-P262 HydrophobicContact CD1-CB 4.45Å; F233-P262 HydrophobicContact CD2-CB 3.41Å; F233-P262 VanDerWaalsContact CD2-CB 3.41Å; F233-P262 HydrophobicContact CD2-CG 3.95Å; F233-P262 HydrophobicContact CE2-CB 3.92Å; F233-P262 HydrophobicContact CG-CB 3.69Å; F233-P262 HydrophobicContact CG-CG 4.35Å; I236-P262 HydrophobicContact CB-CB 4.28Å; I236-P262 HydrophobicContact CG2-CB 4.29Å; P262-L265 PolarHBondContact O-N 3.07Å; P262-L266 WeakPolarHBondContact O-CB 3.5Å; P262-L266 WeakPolarHBondContact O-CG 3.25Å; P262-L266 PolarHBondContact O-N 3.32Å
263E91.8Very high89.5Confident52 Ų5236.9 Ų36.924%0.24318%0.183CC..Hα-helixtrans-63.8-42.3175.4-64.194.3152.600112.9K229 F233 S261 L266 L267 L360K229-E263 WeakPolarHBondContact CE-OE1 3.21Å; K229-E263 IonicContact NZ-OE1 3.74Å; K229-E263 PolarHBondContact NZ-OE1 3.04Å; F233-E263 VanDerWaalsContact CE2-CD 3.48Å; F233-E263 HydrophobicContact CE2-CG 3.76Å; F233-E263 HydrophobicContact CZ-CG 3.99Å; S261-E263 PolarHBondContact O-N 3.04Å; E263-L266 PolarHBondContact O-N 3.41Å; E263-L267 WeakPolarHBondContact O-CB 3.48Å; E263-L267 PolarHBondContact O-N 3.2Å; E263-L360 HydrophobicContact CG-CD1 4.25Å; E263-L360 HydrophobicContact CG-CD2 3.81Å
264E92Very high90.1Very high99 Ų9934.5 Ų34.546%0.46317%0.166SC..Hα-helixtrans-68.9-39.3177.3-72.1163.8141.700111.3L260 S261 L267 R268L260-E264 HydrophobicContact CB-CB 4.02Å; L260-E264 HydrophobicContact CD2-CB 4.17Å; L260-E264 HydrophobicContact CG-CB 4.47Å; S261-E264 WeakPolarHBondContact CB-OE2 3.48Å; S261-E264 PolarHBondContact N-OE2 3.5Å; S261-E264 PolarHBondContact O-N 3.31Å; S261-E264 VanDerWaalsContact OG-CD 3.22Å; S261-E264 VanDerWaalsContact OG-CG 3.26Å; S261-E264 WeakPolarHBondContact OG-CG 3.28Å; S261-E264 PolarHBondContact OG-N 2.83Å; S261-E264 PolarHBondContact OG-OE2 3.32Å; E264-L267 PolarHBondContact O-N 2.85Å; E264-R268 VanDerWaalsContact O-CB 3.24Å; E264-R268 WeakPolarHBondContact O-CB 3.31Å; E264-R268 PolarHBondContact O-N 2.77Å
265L93.1Very high90.7Very high6 Ų637.1 Ų37.13%0.03118%0.178CC..Hα-helixtrans-61.9-44173.1-73.8172.7000111.6I236 L257 L260 S261 P262 R268 W269I236-L265 HydrophobicContact CG2-CB 4.09Å; L257-L265 HydrophobicContact CD1-CD2 4.18Å; L257-L265 HydrophobicContact CG-CD2 4.32Å; L260-L265 HydrophobicContact CB-CD2 4.06Å; L260-L265 HydrophobicContact CB-CG 3.91Å; L260-L265 HydrophobicContact CD1-CD2 4.08Å; S261-L265 PolarHBondContact O-N 3.4Å; P262-L265 PolarHBondContact O-N 3.07Å; L265-R268 WeakPolarHBondContact O-CB 3.48Å; L265-R268 PolarHBondContact O-N 3.28Å; L265-W269 WeakPolarHBondContact O-CB 3.45Å; L265-W269 PolarHBondContact O-N 2.96Å
266L95.1Very high91.3Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-63.3-42.6175.2-79.6178.7000112.6F233 I236 P262 E263 R268 W269 A270 F285 L360 V363 A364 F367F233-L266 HydrophobicContact CD1-CD1 4.5Å; F233-L266 HydrophobicContact CE1-CD1 3.82Å; F233-L266 HydrophobicContact CZ-CD1 4.29Å; I236-L266 HydrophobicContact CD1-CD1 3.66Å; I236-L266 HydrophobicContact CD1-CD2 3.76Å; I236-L266 HydrophobicContact CD1-CG 3.75Å; I236-L266 HydrophobicContact CG2-CD2 4.28Å; I236-L266 HydrophobicContact CG2-CG 4.11Å; P262-L266 WeakPolarHBondContact O-CB 3.5Å; P262-L266 WeakPolarHBondContact O-CG 3.25Å; P262-L266 PolarHBondContact O-N 3.32Å; E263-L266 PolarHBondContact O-N 3.41Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 2.88Å; L266-W269 PolarHBondContact O-N 2.73Å; L266-A270 WeakPolarHBondContact O-CB 3.44Å; L266-A270 PolarHBondContact O-N 3.13Å; L266-F285 HydrophobicContact CB-CE2 4.26Å; L266-F285 HydrophobicContact CB-CZ 4.29Å; L266-L360 HydrophobicContact CD1-CD1 3.8Å; L266-V363 HydrophobicContact CB-CG1 4.31Å; L266-V363 HydrophobicContact CD1-CG1 4.47Å; L266-V363 HydrophobicContact CD2-CG1 4.13Å; L266-A364 HydrophobicContact CD1-CB 3.71Å; L266-F367 HydrophobicContact CD2-CB 3.6Å; L266-F367 HydrophobicContact CD2-CD1 4.28Å; L266-F367 HydrophobicContact CD2-CD2 4.37Å; L266-F367 HydrophobicContact CD2-CG 3.82Å
267L95.3Very high91.7Very high40 Ų4035.9 Ų35.921%0.20918%0.175CC..Hα-helixtrans-62.9-38.4176.1-175.963.4000111.1E263 E264 N271 I282 N283 F285E263-L267 WeakPolarHBondContact O-CB 3.48Å; E263-L267 PolarHBondContact O-N 3.2Å; E264-L267 PolarHBondContact O-N 2.85Å; L267-N271 WeakPolarHBondContact O-CB 3.25Å; L267-N271 PolarHBondContact O-N 3.1Å; L267-N271 PolarHBondContact O-ND2 3.2Å; L267-I282 HydrophobicContact CD1-CD1 4.06Å; L267-I282 HydrophobicContact CD1-CG1 3.81Å; L267-N283 WeakPolarHBondContact CD2-O 3.39Å; L267-F285 HydrophobicContact CB-CE2 4.12Å; L267-F285 HydrophobicContact CB-CZ 4.21Å; L267-F285 HydrophobicContact CD1-CE1 4.47Å; L267-F285 HydrophobicContact CD1-CE2 4.26Å; L267-F285 HydrophobicContact CD1-CZ 4.09Å
268R94.8Very high92.1Very high18 Ų1839.4 Ų39.47%0.06821%0.212CC..Hα-helixtrans-68.2-42.1177-168.1172.8-176.51452.3112.1L247 R249 E252 L257 E264 L265 L266 N271 Y272L247-R268 HydrophobicContact CB-CG 4.15Å; L247-R268 PolarHBondContact O-NE 3.3Å; L247-R268 PolarHBondContact O-NH2 3.33Å; R249-R268 VanDerWaalsContact CB-NH2 3.28Å; R249-R268 VanDerWaalsContact CD-NH2 3.3Å; E252-R268 IonicContact OE1-CZ 2.72Å; E252-R268 IonicContact OE1-NH1 3.44Å; E252-R268 PolarHBondContact OE1-NH1 3Å; E252-R268 IonicContact OE1-NH2 2.91Å; E252-R268 IonicContact OE2-CZ 3.11Å; E252-R268 IonicContact OE2-NH1 3.21Å; E252-R268 PolarHBondContact OE2-NH1 3.13Å; E252-R268 IonicContact OE2-NH2 2.75Å; E252-R268 PolarHBondContact OE2-NH2 3.48Å; L257-R268 VanDerWaalsContact CD1-CZ 3.44Å; E264-R268 VanDerWaalsContact O-CB 3.24Å; E264-R268 WeakPolarHBondContact O-CB 3.31Å; E264-R268 PolarHBondContact O-N 2.77Å; L265-R268 WeakPolarHBondContact O-CB 3.48Å; L265-R268 PolarHBondContact O-N 3.28Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 2.88Å; R268-N271 PolarHBondContact O-N 3.18Å; R268-Y272 WeakPolarHBondContact O-CB 3.39Å; R268-Y272 PolarHBondContact O-N 2.97Å
269W95.8Very high92.5Very high0 Ų038.7 Ų38.70%021%0.211CC..Hα-helixtrans-61.3-47173.2170.881.5000112.5L247 L265 L266 N271 Y272 H273 I298 V302 V363 L366 F367 P371L247-W269 HydrophobicContact CD1-CB 3.95Å; L247-W269 HydrophobicContact CD2-CB 4.35Å; L265-W269 WeakPolarHBondContact O-CB 3.45Å; L265-W269 PolarHBondContact O-N 2.96Å; L266-W269 PolarHBondContact O-N 2.73Å; W269-N271 VanDerWaalsContact C-N 3.29Å; W269-N271 PolarHBondContact O-N 3.31Å; W269-Y272 WeakPolarHBondContact O-CB 3.44Å; W269-Y272 PolarHBondContact O-N 3.08Å; W269-H273 AromaticContact CD1-CD2 3.91Å; W269-H273 AromaticContact CD1-NE2 3.85Å; W269-H273 AromaticContact CE2-CD2 3.48Å; W269-H273 VanDerWaalsContact CE2-CD2 3.48Å; W269-H273 AromaticContact CE2-NE2 3.68Å; W269-H273 AromaticContact CZ2-CD2 3.83Å; W269-H273 AromaticContact NE1-CD2 3.4Å; W269-H273 PolarHBondContact NE1-CD2 2.84Å; W269-H273 AromaticContact NE1-NE2 3.18Å; W269-H273 PolarHBondContact NE1-NE2 3.17Å; W269-H273 VanDerWaalsContact NE1-NE2 3.18Å; W269-H273 PolarHBondContact O-CD2 2.71Å; W269-H273 PolarHBondContact O-N 3.22Å; W269-I298 HydrophobicContact CH2-CG2 3.84Å; W269-I298 HydrophobicContact CZ3-CG2 4.05Å; W269-V302 HydrophobicContact CH2-CG1 4Å; W269-V302 HydrophobicContact CZ2-CG1 3.58Å; W269-V363 HydrophobicContact CE3-CG1 4.17Å; W269-V363 HydrophobicContact CZ3-CG1 3.9Å; W269-L366 HydrophobicContact CH2-CB 4.42Å; W269-L366 HydrophobicContact CH2-CD2 4.03Å; W269-L366 HydrophobicContact CH2-CG 4Å; W269-F367 HydrophobicContact CB-CD2 4.47Å; W269-F367 AromaticContact CD1-CD2 3.58Å; W269-F367 AromaticContact CD1-CE2 3.79Å; W269-F367 HydrophobicContact CD2-CB 4.39Å; W269-F367 AromaticContact CD2-CD2 3.77Å; W269-F367 HydrophobicContact CD2-CD2 3.77Å; W269-F367 AromaticContact CE2-CD2 3.68Å; W269-F367 HydrophobicContact CE3-CB 4.42Å; W269-F367 AromaticContact CG-CD2 3.69Å; W269-F367 HydrophobicContact CG-CD2 3.69Å; W269-F367 HydrophobicContact CG-CE2 4.17Å; W269-F367 HydrophobicContact CH2-CB 4.37Å; W269-F367 HydrophobicContact CZ2-CB 4.3Å; W269-F367 HydrophobicContact CZ2-CD2 4.36Å; W269-F367 HydrophobicContact CZ3-CB 4.44Å; W269-F367 AromaticContact NE1-CD2 3.53Å; W269-P371 PolarHBondContact NE1-O 3.27Å
270A96.4Very high92.9Very high0 Ų037.7 Ų37.70%023%0.225CC..Hα-helixtrans-60.5-43.2177.300000110.8L266 H273 L274 I282 F285 I298L266-A270 WeakPolarHBondContact O-CB 3.44Å; L266-A270 PolarHBondContact O-N 3.13Å; A270-H273 PolarHBondContact O-N 3.41Å; A270-L274 VanDerWaalsContact O-CG 3.27Å; A270-L274 WeakPolarHBondContact O-CG 3.31Å; A270-L274 PolarHBondContact O-N 2.69Å; A270-I282 HydrophobicContact CB-CD1 4.19Å; A270-F285 HydrophobicContact CB-CE1 4.03Å; A270-F285 HydrophobicContact CB-CZ 4.19Å; A270-I298 HydrophobicContact CB-CD1 3.94Å
271N95.9Very high93.2Very high8 Ų841.1 Ų41.14%0.04324%0.238CC..Hα-helixtrans-67.7-35.8177.4-78.7-43.1000113.5L267 R268 W269 H273 L274 E275 K281 I282L267-N271 WeakPolarHBondContact O-CB 3.25Å; L267-N271 PolarHBondContact O-N 3.1Å; L267-N271 PolarHBondContact O-ND2 3.2Å; R268-N271 PolarHBondContact O-N 3.18Å; W269-N271 VanDerWaalsContact C-N 3.29Å; W269-N271 PolarHBondContact O-N 3.31Å; N271-H273 VanDerWaalsContact C-N 3.33Å; N271-H273 PolarHBondContact O-N 3.48Å; N271-L274 PolarHBondContact O-N 3.37Å; N271-E275 WeakPolarHBondContact O-CB 3.41Å; N271-E275 WeakPolarHBondContact O-CG 3.48Å; N271-E275 PolarHBondContact O-N 3.27Å; N271-K281 WeakPolarHBondContact OD1-CA 3.27Å; N271-K281 WeakPolarHBondContact OD1-CB 3.43Å; N271-I282 PolarHBondContact ND2-O 2.86Å; N271-I282 PolarHBondContact OD1-N 3.25Å; N271-I282 PolarHBondContact OD1-O 2.95Å
272Y94.8Very high93.5Very high70 Ų7040.7 Ų40.728%0.27523%0.234SC..Hα-helixtrans-54.8-50.4172.8171.2-93.5000110.9L247 R268 W269 E275 E276 L373L247-Y272 HydrophobicContact CD2-CD1 4.41Å; L247-Y272 HydrophobicContact CD2-CD2 4.26Å; L247-Y272 HydrophobicContact CD2-CG 3.86Å; R268-Y272 WeakPolarHBondContact O-CB 3.39Å; R268-Y272 PolarHBondContact O-N 2.97Å; W269-Y272 WeakPolarHBondContact O-CB 3.44Å; W269-Y272 PolarHBondContact O-N 3.08Å; Y272-E275 PolarHBondContact O-N 3Å; Y272-E276 HydrophobicContact CE1-CG 4.44Å; Y272-E276 WeakPolarHBondContact O-CG 3.33Å; Y272-E276 PolarHBondContact O-N 3.3Å; Y272-E276 VanDerWaalsContact O-N 3.08Å; Y272-L373 HydrophobicContact CD1-CD2 3.6Å; Y272-L373 HydrophobicContact CE1-CD2 3.55Å; Y272-L373 HydrophobicContact CG-CD2 4.34Å
273H94.8Very high93.7Very high6 Ų645.8 Ų45.83%0.02826%0.261CS..Hα-helixtrans-68.9-35.6178.7-74.1-58.6000113.5W269 A270 N271 A277 Q301 P371 A372W269-H273 AromaticContact CD1-CD2 3.91Å; W269-H273 AromaticContact CD1-NE2 3.85Å; W269-H273 AromaticContact CE2-CD2 3.48Å; W269-H273 VanDerWaalsContact CE2-CD2 3.48Å; W269-H273 AromaticContact CE2-NE2 3.68Å; W269-H273 AromaticContact CZ2-CD2 3.83Å; W269-H273 AromaticContact NE1-CD2 3.4Å; W269-H273 PolarHBondContact NE1-CD2 2.84Å; W269-H273 AromaticContact NE1-NE2 3.18Å; W269-H273 PolarHBondContact NE1-NE2 3.17Å; W269-H273 VanDerWaalsContact NE1-NE2 3.18Å; W269-H273 PolarHBondContact O-CD2 2.71Å; W269-H273 PolarHBondContact O-N 3.22Å; A270-H273 PolarHBondContact O-N 3.41Å; N271-H273 VanDerWaalsContact C-N 3.33Å; N271-H273 PolarHBondContact O-N 3.48Å; H273-A277 WeakPolarHBondContact O-CB 3.29Å; H273-A277 PolarHBondContact O-N 3.48Å; H273-Q301 HydrophobicContact CB-CB 4.12Å; H273-P371 PolarHBondContact NE2-O 3.5Å; H273-P371 VanDerWaalsContact NE2-O 3.13Å; H273-A372 PolarHBondContact CE1-O 3.47Å; H273-A372 VanDerWaalsContact CE1-O 3.31Å
274L95.3Very high93.7Very high2 Ų245.4 Ų45.41%0.0126%0.261CS..Hα-helixtrans-65.5-40.7174.8-71.7170.7000111.9A270 N271 A277 G278 C279 I282 A294 N297 I298A270-L274 VanDerWaalsContact O-CG 3.27Å; A270-L274 WeakPolarHBondContact O-CG 3.31Å; A270-L274 PolarHBondContact O-N 2.69Å; N271-L274 PolarHBondContact O-N 3.37Å; L274-A277 CarbonylContact O-C 3.59Å; L274-A277 WeakPolarHBondContact O-CB 3.19Å; L274-A277 PolarHBondContact O-N 3.26Å; L274-G278 PolarHBondContact O-N 3.3Å; L274-C279 HydrophobicContact CB-CB 4.24Å; L274-C279 HydrophobicContact CD2-CB 4.07Å; L274-C279 WeakPolarHBondContact O-CA 3.37Å; L274-C279 WeakPolarHBondContact O-CB 3.21Å; L274-C279 PolarHBondContact O-N 3.43Å; L274-I282 HydrophobicContact CD1-CB 4.49Å; L274-I282 HydrophobicContact CD1-CD1 4.33Å; L274-I282 HydrophobicContact CD1-CG1 3.96Å; L274-I282 HydrophobicContact CD1-CG2 3.92Å; L274-A294 HydrophobicContact CD1-CB 4.38Å; L274-A294 HydrophobicContact CD2-CB 4.22Å; L274-N297 HydrophobicContact CD2-CB 3.88Å; L274-I298 HydrophobicContact CD1-CD1 4.35Å; L274-I298 HydrophobicContact CD2-CD1 4.37Å; L274-I298 HydrophobicContact CD2-CG1 3.91Å; L274-I298 HydrophobicContact CG-CD1 4.24Å; L274-I298 HydrophobicContact CG-CG1 3.95Å
275E93.9Very high93.7Very high81 Ų8141.6 Ų41.638%0.37924%0.242SC..Hα-helixtrans-64.2-44.6177-73.9170.2-130.600111.2N271 Y272 A277 G278 K281N271-E275 WeakPolarHBondContact O-CB 3.41Å; N271-E275 WeakPolarHBondContact O-CG 3.48Å; N271-E275 PolarHBondContact O-N 3.27Å; Y272-E275 PolarHBondContact O-N 3Å; E275-A277 PolarHBondContact O-N 3.4Å; E275-G278 PolarHBondContact O-N 3.18Å; E275-K281 HydrophobicContact CG-CD 4.5Å; E275-K281 HydrophobicContact CG-CG 4.14Å; E275-K281 WeakPolarHBondContact OE1-CD 3.43Å; E275-K281 WeakPolarHBondContact OE1-CE 3.29Å; E275-K281 IonicContact OE1-NZ 2.73Å; E275-K281 PolarHBondContact OE1-NZ 3.22Å; E275-K281 WeakPolarHBondContact OE2-CE 3.08Å; E275-K281 IonicContact OE2-NZ 2.84Å; E275-K281 PolarHBondContact OE2-NZ 3.32Å
276E91Very high93.6Very high131 Ų13143 Ų4361%0.61225%0.253SS*.Hα-helixtrans-61.7-29.9172.9-74.1-65.7129.700112.7Y272 G278Y272-E276 HydrophobicContact CE1-CG 4.44Å; Y272-E276 WeakPolarHBondContact O-CG 3.33Å; Y272-E276 PolarHBondContact O-N 3.3Å; Y272-E276 VanDerWaalsContact O-N 3.08Å; E276-G278 PolarHBondContact O-N 3.1Å
277A91.6Very high93.5Very high32 Ų3246.5 Ų46.526%0.26428%0.277SS..THydrogen-bonded Turntrans-79.60.1172.500000114H273 L274 E275 C279 N297 Q301H273-A277 WeakPolarHBondContact O-CB 3.29Å; H273-A277 PolarHBondContact O-N 3.48Å; L274-A277 CarbonylContact O-C 3.59Å; L274-A277 WeakPolarHBondContact O-CB 3.19Å; L274-A277 PolarHBondContact O-N 3.26Å; E275-A277 PolarHBondContact O-N 3.4Å; A277-C279 PolarHBondContact O-N 3.46Å; A277-N297 HydrophobicContact CB-CB 4.21Å; A277-Q301 HydrophobicContact CB-CG 3.96Å
278G92.1Very high93.4Very high74 Ų7447 Ų4776%0.76328%0.28SS*.THydrogen-bonded Turntrans68.122.2-174.800000113.8L274 E275 E276L274-G278 PolarHBondContact O-N 3.3Å; E275-G278 PolarHBondContact O-N 3.18Å; E276-G278 PolarHBondContact O-N 3.1Å
279C90.6Very high93.3Very high39 Ų3946.1 Ų46.126%0.26428%0.277SS..PPolyproline II helixtrans-97.4159.8-179.7-67.40000112.2L274 A277 N297L274-C279 HydrophobicContact CB-CB 4.24Å; L274-C279 HydrophobicContact CD2-CB 4.07Å; L274-C279 WeakPolarHBondContact O-CA 3.37Å; L274-C279 WeakPolarHBondContact O-CB 3.21Å; L274-C279 PolarHBondContact O-N 3.43Å; A277-C279 PolarHBondContact O-N 3.46Å; C279-N297 PolarHBondContact SG-ND2 3.47Å
280G90Very high93.2Very high63 Ų6350.2 Ų50.265%0.64930%0.295SS*.PPolyproline II helixtrans-69.4150.4174.500000112.6
281K93.6Very high93Very high108 Ų10852.4 Ų52.447%0.4731%0.306SS..PPolyproline II helixtrans-70.7147.2177.4-55.6-170.8-162.7-140.60111.6N271 E275N271-K281 WeakPolarHBondContact OD1-CA 3.27Å; N271-K281 WeakPolarHBondContact OD1-CB 3.43Å; E275-K281 HydrophobicContact CG-CD 4.5Å; E275-K281 HydrophobicContact CG-CG 4.14Å; E275-K281 WeakPolarHBondContact OE1-CD 3.43Å; E275-K281 WeakPolarHBondContact OE1-CE 3.29Å; E275-K281 IonicContact OE1-NZ 2.73Å; E275-K281 PolarHBondContact OE1-NZ 3.22Å; E275-K281 WeakPolarHBondContact OE2-CE 3.08Å; E275-K281 IonicContact OE2-NZ 2.84Å; E275-K281 PolarHBondContact OE2-NZ 3.32Å
282I95.4Very high93Very high8 Ų852 Ų524%0.04130%0.304CS..PPolyproline II helixtrans-100.3152.1168.262168.7000110.5L267 A270 N271 L274 F285 D288 I289 A294L267-I282 HydrophobicContact CD1-CD1 4.06Å; L267-I282 HydrophobicContact CD1-CG1 3.81Å; A270-I282 HydrophobicContact CB-CD1 4.19Å; N271-I282 PolarHBondContact ND2-O 2.86Å; N271-I282 PolarHBondContact OD1-N 3.25Å; N271-I282 PolarHBondContact OD1-O 2.95Å; L274-I282 HydrophobicContact CD1-CB 4.49Å; L274-I282 HydrophobicContact CD1-CD1 4.33Å; L274-I282 HydrophobicContact CD1-CG1 3.96Å; L274-I282 HydrophobicContact CD1-CG2 3.92Å; I282-F285 HydrophobicContact CD1-CD1 4.03Å; I282-F285 HydrophobicContact CD1-CE1 3.75Å; I282-D288 HydrophobicContact CB-CB 3.85Å; I282-D288 HydrophobicContact CG2-CB 3.84Å; I282-I289 HydrophobicContact CD1-CG2 4.05Å; I282-A294 HydrophobicContact CG2-CB 4.09Å
283N93.7Very high93Very high125 Ų12552.8 Ų52.867%0.66831%0.309SS*.SBendtrans-112.9-10179.2-56.8-76.2000112.7L267 D288L267-N283 WeakPolarHBondContact CD2-O 3.39Å; N283-D288 PolarHBondContact N-OD2 3.3Å
284N92.2Very high93Very high44 Ų4453 Ų5324%0.23531%0.312CS..  trans-159.4160-179.663.382.8000111.3S286 S287 D288N284-S286 VanDerWaalsContact C-N 3.28Å; N284-S286 PolarHBondContact O-N 2.84Å; N284-S286 VanDerWaalsContact OD1-CA 3.32Å; N284-S286 WeakPolarHBondContact OD1-CA 3.37Å; N284-S286 PolarHBondContact OD1-N 3.48Å; N284-S286 PolarHBondContact OD1-OG 3.36Å; N284-S287 PolarHBondContact ND2-OG 3.37Å; N284-S287 PolarHBondContact OD1-N 3.21Å; N284-S287 PolarHBondContact OD1-OG 3.28Å; N284-D288 PolarHBondContact ND2-OD1 3.46Å; N284-D288 PolarHBondContact ND2-OD2 3.19Å; N284-D288 PolarHBondContact OD1-N 3.11Å
285F92.9Very high93Very high18 Ų1853 Ų538%0.07931%0.311CS..SBendtrans-93.839173.1-59.2-67000112.2L266 L267 A270 I282 I289 N359 L360 V363L266-F285 HydrophobicContact CB-CE2 4.26Å; L266-F285 HydrophobicContact CB-CZ 4.29Å; L267-F285 HydrophobicContact CB-CE2 4.12Å; L267-F285 HydrophobicContact CB-CZ 4.21Å; L267-F285 HydrophobicContact CD1-CE1 4.47Å; L267-F285 HydrophobicContact CD1-CE2 4.26Å; L267-F285 HydrophobicContact CD1-CZ 4.09Å; A270-F285 HydrophobicContact CB-CE1 4.03Å; A270-F285 HydrophobicContact CB-CZ 4.19Å; I282-F285 HydrophobicContact CD1-CD1 4.03Å; I282-F285 HydrophobicContact CD1-CE1 3.75Å; F285-I289 HydrophobicContact CD1-CG2 4.48Å; F285-N359 HydrophobicContact CB-CB 4.16Å; F285-N359 VanDerWaalsContact O-CB 3.26Å; F285-N359 WeakPolarHBondContact O-CB 3.45Å; F285-L360 HydrophobicContact CD2-CD1 3.78Å; F285-L360 HydrophobicContact CE2-CD1 3.9Å; F285-V363 HydrophobicContact CD1-CG2 3.81Å; F285-V363 HydrophobicContact CE1-CB 4.22Å; F285-V363 HydrophobicContact CE1-CG1 3.86Å; F285-V363 HydrophobicContact CE1-CG2 3.71Å; F285-V363 HydrophobicContact CZ-CB 4.44Å; F285-V363 HydrophobicContact CZ-CG1 3.8Å; F285-V363 HydrophobicContact CZ-CG2 4.4Å
286S91.6Very high93Very high36 Ų3649.1 Ų49.125%0.25229%0.294SS..SBendtrans-129.8-92.2178.659.80000111.6N284 D288 I289 K290 G354N284-S286 VanDerWaalsContact C-N 3.28Å; N284-S286 PolarHBondContact O-N 2.84Å; N284-S286 VanDerWaalsContact OD1-CA 3.32Å; N284-S286 WeakPolarHBondContact OD1-CA 3.37Å; N284-S286 PolarHBondContact OD1-N 3.48Å; N284-S286 PolarHBondContact OD1-OG 3.36Å; S286-D288 VanDerWaalsContact C-N 3.29Å; S286-D288 PolarHBondContact O-N 2.92Å; S286-I289 WeakPolarHBondContact O-CD1 3.27Å; S286-I289 WeakPolarHBondContact O-CG1 3.37Å; S286-K290 WeakPolarHBondContact O-CG 3.33Å; S286-G354 WeakPolarHBondContact CA-O 3.5Å; S286-G354 VanDerWaalsContact CB-O 3.25Å; S286-G354 WeakPolarHBondContact CB-O 3.35Å
287S92.6Very high93.2Very high74 Ų7444.6 Ų44.652%0.51727%0.273SS..G310 helixtrans-60-37179.653.90000113.5N284 I289N284-S287 PolarHBondContact ND2-OG 3.37Å; N284-S287 PolarHBondContact OD1-N 3.21Å; N284-S287 PolarHBondContact OD1-OG 3.28Å; S287-I289 VanDerWaalsContact C-N 3.26Å; S287-I289 PolarHBondContact O-N 3.23Å
288D93.3Very high93.4Very high50 Ų5043.1 Ų43.127%0.26726%0.261SS..G310 helixtrans-80.5-9.6-168-59.510.8000112.7I282 N283 N284 S286I282-D288 HydrophobicContact CB-CB 3.85Å; I282-D288 HydrophobicContact CG2-CB 3.84Å; N283-D288 PolarHBondContact N-OD2 3.3Å; N284-D288 PolarHBondContact ND2-OD1 3.46Å; N284-D288 PolarHBondContact ND2-OD2 3.19Å; N284-D288 PolarHBondContact OD1-N 3.11Å; S286-D288 VanDerWaalsContact C-N 3.29Å; S286-D288 PolarHBondContact O-N 2.92Å
289I92.6Very high93.5Very high0 Ų039.6 Ų39.60%023%0.225CC..G310 helixtrans-112.5-3.7-178.358.669.5000113.7I282 F285 S286 S287 D291 S292 A294 Y295 V351 N359I282-I289 HydrophobicContact CD1-CG2 4.05Å; F285-I289 HydrophobicContact CD1-CG2 4.48Å; S286-I289 WeakPolarHBondContact O-CD1 3.27Å; S286-I289 WeakPolarHBondContact O-CG1 3.37Å; S287-I289 VanDerWaalsContact C-N 3.26Å; S287-I289 PolarHBondContact O-N 3.23Å; I289-D291 PolarHBondContact O-N 2.93Å; I289-D291 VanDerWaalsContact O-N 3.15Å; I289-S292 PolarHBondContact O-N 3.41Å; I289-A294 HydrophobicContact CG2-CB 4.3Å; I289-Y295 HydrophobicContact CB-CD2 4.34Å; I289-Y295 HydrophobicContact CB-CE2 3.8Å; I289-Y295 HydrophobicContact CD1-CE2 4.01Å; I289-Y295 HydrophobicContact CG1-CE2 4.08Å; I289-Y295 HydrophobicContact CG2-CE2 4.45Å; I289-V351 HydrophobicContact CD1-CG1 4.43Å; I289-N359 HydrophobicContact CD1-CB 4.17Å; I289-N359 VanDerWaalsContact CD1-CG 3.43Å; I289-N359 WeakPolarHBondContact CD1-OD1 3.47Å; I289-N359 HydrophobicContact CG1-CB 4.48Å
290K93.3Very high93.7Very high85 Ų8540.8 Ų40.837%0.3723%0.229SC..THydrogen-bonded Turntrans-57.6-35.3-171.1-72.7-169.4149-145.20114.1S286 S292 V351 V352 R353S286-K290 WeakPolarHBondContact O-CG 3.33Å; K290-S292 PolarHBondContact O-N 3.32Å; K290-V351 WeakPolarHBondContact CA-O 3.19Å; K290-V352 VanDerWaalsContact CD-O 3.28Å; K290-V352 WeakPolarHBondContact CD-O 3.38Å; K290-V352 WeakPolarHBondContact CE-O 3.47Å; K290-V352 WeakPolarHBondContact CG-O 3.12Å; K290-V352 PolarHBondContact NZ-O 2.75Å; K290-V352 VanDerWaalsContact NZ-O 3.09Å; K290-R353 WeakPolarHBondContact CE-O 3.45Å; K290-R353 PolarHBondContact NZ-O 2.91Å
291D92.8Very high93.8Very high46 Ų4639.7 Ų39.725%0.24621%0.206CC..THydrogen-bonded Turntrans-83.13.6-176.879.5-9.7000112.7I289 K293 R329I289-D291 PolarHBondContact O-N 2.93Å; I289-D291 VanDerWaalsContact O-N 3.15Å; D291-K293 HydrophobicContact CB-CG 4.49Å; D291-K293 PolarHBondContact O-N 3Å; D291-K293 WeakPolarHBondContact OD1-CB 3.39Å; D291-K293 PolarHBondContact OD1-N 2.87Å; D291-K293 VanDerWaalsContact OD2-CD 3.27Å; D291-K293 WeakPolarHBondContact OD2-CD 3.31Å; D291-K293 WeakPolarHBondContact OD2-CE 3.46Å; D291-K293 WeakPolarHBondContact OD2-CG 3.5Å; D291-K293 IonicContact OD2-NZ 2.91Å; D291-K293 PolarHBondContact OD2-NZ 3.38Å; D291-R329 WeakPolarHBondContact O-CD 3.48Å; D291-R329 PolarHBondContact O-NH1 2.94Å
292S95.6Very high93.8Very high0 Ų034.7 Ų34.70%019%0.185CC..SBendtrans59.90.4-178.6-54.90000116I289 K290 Y295 Y296 A330 V351I289-S292 PolarHBondContact O-N 3.41Å; K290-S292 PolarHBondContact O-N 3.32Å; S292-Y295 PolarHBondContact O-N 3.47Å; S292-Y296 VanDerWaalsContact O-CD2 3.31Å; S292-Y296 WeakPolarHBondContact O-CD2 3.39Å; S292-Y296 PolarHBondContact O-N 3.15Å; S292-Y296 VanDerWaalsContact O-N 3.08Å; S292-A330 VanDerWaalsContact OG-CA 3.31Å; S292-A330 WeakPolarHBondContact OG-CA 3.27Å; S292-A330 WeakPolarHBondContact OG-CB 3.23Å; S292-V351 WeakPolarHBondContact OG-CG1 3.24Å
293K94.3Very high93.6Very high87 Ų8734.6 Ų34.638%0.37819%0.186SC..Hα-helixtrans-70.4-40.9-175.6-63.4-171.8-164.6117.60111.8D291 Y295 Y296 N297 I321D291-K293 HydrophobicContact CB-CG 4.49Å; D291-K293 PolarHBondContact O-N 3Å; D291-K293 WeakPolarHBondContact OD1-CB 3.39Å; D291-K293 PolarHBondContact OD1-N 2.87Å; D291-K293 VanDerWaalsContact OD2-CD 3.27Å; D291-K293 WeakPolarHBondContact OD2-CD 3.31Å; D291-K293 WeakPolarHBondContact OD2-CE 3.46Å; D291-K293 WeakPolarHBondContact OD2-CG 3.5Å; D291-K293 IonicContact OD2-NZ 2.91Å; D291-K293 PolarHBondContact OD2-NZ 3.38Å; K293-Y295 VanDerWaalsContact C-N 3.26Å; K293-Y295 PolarHBondContact O-N 3.13Å; K293-Y296 PolarHBondContact O-N 2.72Å; K293-N297 PolarHBondContact O-N 2.89Å; K293-N297 PolarHBondContact O-ND2 3.39Å; K293-I321 HydrophobicContact CB-CD1 4.18Å; K293-I321 HydrophobicContact CB-CG1 4.33Å; K293-I321 HydrophobicContact CD-CG1 4.46Å; K293-I321 HydrophobicContact CG-CD1 4.23Å; K293-I321 HydrophobicContact CG-CG1 3.9Å
294A95Very high93.4Very high10 Ų1029.7 Ų29.78%0.08316%0.161CC..Hα-helixtrans-57.3-43.9173.400000110.7L274 I282 I289 N297 I298L274-A294 HydrophobicContact CD1-CB 4.38Å; L274-A294 HydrophobicContact CD2-CB 4.22Å; I282-A294 HydrophobicContact CG2-CB 4.09Å; I289-A294 HydrophobicContact CG2-CB 4.3Å; A294-N297 PolarHBondContact O-N 3.32Å; A294-I298 VanDerWaalsContact O-CG1 3.32Å; A294-I298 WeakPolarHBondContact O-CG1 3.3Å; A294-I298 PolarHBondContact O-N 3.07Å
295Y95.7Very high93.1Very high1 Ų133.5 Ų33.50%0.00418%0.175CC..Hα-helixtrans-63.7-42.6178.7-74.1-44.4000114I289 S292 K293 N297 I298 L299 M333 V351 N359 F362 V363I289-Y295 HydrophobicContact CB-CD2 4.34Å; I289-Y295 HydrophobicContact CB-CE2 3.8Å; I289-Y295 HydrophobicContact CD1-CE2 4.01Å; I289-Y295 HydrophobicContact CG1-CE2 4.08Å; I289-Y295 HydrophobicContact CG2-CE2 4.45Å; S292-Y295 PolarHBondContact O-N 3.47Å; K293-Y295 VanDerWaalsContact C-N 3.26Å; K293-Y295 PolarHBondContact O-N 3.13Å; Y295-N297 VanDerWaalsContact C-N 3.28Å; Y295-N297 PolarHBondContact O-N 2.67Å; Y295-I298 PolarHBondContact O-N 2.66Å; Y295-L299 WeakPolarHBondContact O-CB 3.48Å; Y295-L299 VanDerWaalsContact O-CG 3.22Å; Y295-L299 WeakPolarHBondContact O-CG 3.3Å; Y295-L299 PolarHBondContact O-N 3.29Å; Y295-M333 HydrophobicContact CD2-CE 3.65Å; Y295-M333 HydrophobicContact CD2-SD 4.33Å; Y295-M333 HydrophobicContact CE2-CE 4.43Å; Y295-M333 HydrophobicContact CG-CE 4.11Å; Y295-M333 HydrophobicContact CG-SD 4.18Å; Y295-V351 HydrophobicContact CD2-CG1 4.11Å; Y295-V351 HydrophobicContact CE2-CG1 4.06Å; Y295-N359 WeakPolarHBondContact CE2-OD1 3.41Å; Y295-N359 VanDerWaalsContact OH-CB 3.28Å; Y295-N359 WeakPolarHBondContact OH-CB 2.83Å; Y295-N359 PolarHBondContact OH-O 2.9Å; Y295-N359 PolarHBondContact OH-OD1 3.4Å; Y295-F362 HydrophobicContact CD1-CD1 4.2Å; Y295-F362 AromaticContact CD1-CE1 3.75Å; Y295-F362 HydrophobicContact CD1-CE1 3.75Å; Y295-F362 AromaticContact CE1-CD1 3.74Å; Y295-F362 HydrophobicContact CE1-CD1 3.74Å; Y295-F362 AromaticContact CE1-CE1 3.78Å; Y295-F362 HydrophobicContact CE1-CE1 3.78Å; Y295-F362 HydrophobicContact CE2-CD1 4.42Å; Y295-F362 HydrophobicContact CE2-CE1 4.5Å; Y295-F362 HydrophobicContact CG-CE1 4.15Å; Y295-F362 AromaticContact CZ-CD1 3.85Å; Y295-V363 HydrophobicContact CE1-CG2 3.56Å
296Y94.3Very high92.4Very high1 Ų134.4 Ų34.40%0.00419%0.189CC..Hα-helixtrans-56.2-44.1174.6-88.8-74.1000112.6S292 K293 N300 I321 R329 C332 M333 Q336S292-Y296 VanDerWaalsContact O-CD2 3.31Å; S292-Y296 WeakPolarHBondContact O-CD2 3.39Å; S292-Y296 PolarHBondContact O-N 3.15Å; S292-Y296 VanDerWaalsContact O-N 3.08Å; K293-Y296 PolarHBondContact O-N 2.72Å; Y296-N300 VanDerWaalsContact O-CB 3.31Å; Y296-N300 WeakPolarHBondContact O-CB 3.13Å; Y296-N300 PolarHBondContact O-N 3Å; Y296-I321 HydrophobicContact CD2-CB 4.29Å; Y296-I321 HydrophobicContact CD2-CG1 4.25Å; Y296-I321 HydrophobicContact CG-CB 4.44Å; Y296-R329 HydrophobicContact CE2-CG 3.82Å; Y296-R329 PolarHBondContact OH-O 3.44Å; Y296-C332 WeakPolarHBondContact OH-CB 3.3Å; Y296-M333 HydrophobicContact CD2-CB 4.14Å; Y296-M333 HydrophobicContact CD2-CG 4.21Å; Y296-M333 HydrophobicContact CE1-CB 4.36Å; Y296-M333 HydrophobicContact CE2-CB 3.59Å; Y296-M333 HydrophobicContact CE2-CG 4.17Å; Y296-M333 PolarHBondContact OH-N 3.16Å; Y296-Q336 HydrophobicContact CE1-CG 4.09Å
297N94.1Very high91.5Very high35 Ų3539 Ų3919%0.18721%0.211CC..Hα-helixtrans-68.3-42.9-179-71.1-66.5000111.5L274 A277 C279 K293 A294 Y295 N300 Q301L274-N297 HydrophobicContact CD2-CB 3.88Å; A277-N297 HydrophobicContact CB-CB 4.21Å; C279-N297 PolarHBondContact SG-ND2 3.47Å; K293-N297 PolarHBondContact O-N 2.89Å; K293-N297 PolarHBondContact O-ND2 3.39Å; A294-N297 PolarHBondContact O-N 3.32Å; Y295-N297 VanDerWaalsContact C-N 3.28Å; Y295-N297 PolarHBondContact O-N 2.67Å; N297-N300 PolarHBondContact O-N 2.99Å; N297-Q301 WeakPolarHBondContact O-CG 3.16Å; N297-Q301 PolarHBondContact O-N 3.26Å
298I95.4Very high90.4Very high1 Ų142 Ų421%0.00522%0.217CC..Hα-helixtrans-61.4-51.2175.3-65.1164.6000110.1W269 A270 L274 A294 Y295 N300 Q301 V302 L366W269-I298 HydrophobicContact CH2-CG2 3.84Å; W269-I298 HydrophobicContact CZ3-CG2 4.05Å; A270-I298 HydrophobicContact CB-CD1 3.94Å; L274-I298 HydrophobicContact CD1-CD1 4.35Å; L274-I298 HydrophobicContact CD2-CD1 4.37Å; L274-I298 HydrophobicContact CD2-CG1 3.91Å; L274-I298 HydrophobicContact CG-CD1 4.24Å; L274-I298 HydrophobicContact CG-CG1 3.95Å; A294-I298 VanDerWaalsContact O-CG1 3.32Å; A294-I298 WeakPolarHBondContact O-CG1 3.3Å; A294-I298 PolarHBondContact O-N 3.07Å; Y295-I298 PolarHBondContact O-N 2.66Å; I298-N300 VanDerWaalsContact C-N 3.28Å; I298-N300 PolarHBondContact O-N 2.86Å; I298-Q301 PolarHBondContact O-N 3.45Å; I298-V302 HydrophobicContact CG2-CG1 4.11Å; I298-V302 WeakPolarHBondContact O-CG1 3.2Å; I298-V302 WeakPolarHBondContact O-CG2 3.3Å; I298-V302 PolarHBondContact O-N 3.46Å; I298-L366 HydrophobicContact CG2-CD2 3.8Å
299L95.3Very high88.9Confident0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-55.2-44.2178.9-72.4171.1000111.8Y295 Q301 A303 I316 M333 Q336 A337 L340 L366Y295-L299 WeakPolarHBondContact O-CB 3.48Å; Y295-L299 VanDerWaalsContact O-CG 3.22Å; Y295-L299 WeakPolarHBondContact O-CG 3.3Å; Y295-L299 PolarHBondContact O-N 3.29Å; L299-Q301 VanDerWaalsContact C-N 3.34Å; L299-Q301 PolarHBondContact O-N 3.26Å; L299-A303 VanDerWaalsContact O-CB 3.24Å; L299-A303 WeakPolarHBondContact O-CB 3.32Å; L299-A303 PolarHBondContact O-N 2.97Å; L299-I316 HydrophobicContact CB-CG2 4.36Å; L299-M333 HydrophobicContact CD1-CG 3.82Å; L299-M333 HydrophobicContact CD1-SD 3.75Å; L299-Q336 HydrophobicContact CD1-CB 4.26Å; L299-A337 HydrophobicContact CD1-CB 4.26Å; L299-A337 HydrophobicContact CD2-CB 4.05Å; L299-L340 HydrophobicContact CD2-CD1 3.77Å; L299-L366 HydrophobicContact CD2-CD1 4Å; L299-L366 HydrophobicContact CD2-CD2 3.91Å
300N93.7Very high87.7Confident65 Ų6551.8 Ų51.835%0.34829%0.288SS..Hα-helixtrans-67.1-32.3178.5-175.265.8000113.2Y296 N297 I298 I316 V318Y296-N300 VanDerWaalsContact O-CB 3.31Å; Y296-N300 WeakPolarHBondContact O-CB 3.13Å; Y296-N300 PolarHBondContact O-N 3Å; N297-N300 PolarHBondContact O-N 2.99Å; I298-N300 VanDerWaalsContact C-N 3.28Å; I298-N300 PolarHBondContact O-N 2.86Å; N300-I316 HydrophobicContact CB-CB 4.47Å; N300-I316 HydrophobicContact CB-CG2 4.32Å; N300-V318 HydrophobicContact CB-CG1 3.94Å
301Q92.7Very high86.9Confident39 Ų3950.4 Ų50.418%0.18229%0.287CS..Hα-helixtrans-76.4-40.5177.4-73.4-63.4-2.700113H273 A277 N297 I298 L299H273-Q301 HydrophobicContact CB-CB 4.12Å; A277-Q301 HydrophobicContact CB-CG 3.96Å; N297-Q301 WeakPolarHBondContact O-CG 3.16Å; N297-Q301 PolarHBondContact O-N 3.26Å; I298-Q301 PolarHBondContact O-N 3.45Å; L299-Q301 VanDerWaalsContact C-N 3.34Å; L299-Q301 PolarHBondContact O-N 3.26Å
302V93.5Very high86.2Confident4 Ų452.7 Ų52.72%0.02430%0.304CS..Hα-helixtrans-83.8-19.1-175-54.20000113.2W269 I298 L340 L366 A372W269-V302 HydrophobicContact CH2-CG1 4Å; W269-V302 HydrophobicContact CZ2-CG1 3.58Å; I298-V302 HydrophobicContact CG2-CG1 4.11Å; I298-V302 WeakPolarHBondContact O-CG1 3.2Å; I298-V302 WeakPolarHBondContact O-CG2 3.3Å; I298-V302 PolarHBondContact O-N 3.46Å; V302-L340 HydrophobicContact CG2-CD1 4.4Å; V302-L366 HydrophobicContact CG2-CD1 3.91Å; V302-L366 HydrophobicContact CG2-CD2 4.18Å; V302-L366 HydrophobicContact CG2-CG 4.14Å; V302-A372 HydrophobicContact CB-CB 4.08Å; V302-A372 HydrophobicContact CG1-CB 4.21Å
303A92.3Very high85.8Confident6 Ų657 Ų575%0.0533%0.333CS..SBendtrans-61.4135.5178.400000111.2L299 K305 I316 L340L299-A303 VanDerWaalsContact O-CB 3.24Å; L299-A303 WeakPolarHBondContact O-CB 3.32Å; L299-A303 PolarHBondContact O-N 2.97Å; A303-K305 PolarHBondContact O-N 3.13Å; A303-I316 HydrophobicContact CB-CD1 4Å; A303-I316 HydrophobicContact CB-CG1 3.49Å; A303-I316 VanDerWaalsContact CB-CG1 3.49Å; A303-L340 HydrophobicContact CB-CD1 4.5Å; A303-L340 HydrophobicContact CB-CD2 4Å
304P88.9Confident85.6Confident22 Ų2255 Ų5514%0.14333%0.325CS..  trans-56.1125.1177.4-26.133.8000112V311 P313 I314 Y370P304-V311 HydrophobicContact CB-CG1 3.66Å; P304-V311 HydrophobicContact CG-CG1 3.94Å; P304-P313 VanDerWaalsContact O-CA 3.31Å; P304-P313 WeakPolarHBondContact O-CA 3.49Å; P304-I314 HydrophobicContact CG-CD1 4.29Å; P304-I314 PolarHBondContact O-N 3.26Å; P304-Y370 HydrophobicContact CG-CD1 3.97Å; P304-Y370 HydrophobicContact CG-CE1 3.64Å
305K85.7Confident85.3Confident124 Ų12458.4 Ų58.454%0.53935%0.354SS..  trans-88.8-5.8-179.5-62.6-178.9-175.5171.10113.5A303A303-K305 PolarHBondContact O-N 3.13Å
306G78.5Confident85.1Confident36 Ų3659.1 Ų59.137%0.37136%0.357SS..SBendtrans84.913.8-175.500000114E308G306-E308 VanDerWaalsContact C-N 3.34Å
307D72Confident84.9Confident133 Ų13362.9 Ų62.971%0.71138%0.378SS*.  trans-84-9.9179.3-57.7-30.2000112.8
308E69Low84.7Confident137 Ų13764.1 Ų64.164%0.6439%0.386SS*.SBendtrans-106.5134.3-178.5-68-179.2179.500111.1G306 G310 V311G306-E308 VanDerWaalsContact C-N 3.34Å; E308-G310 PolarHBondContact O-N 3.29Å; E308-G310 VanDerWaalsContact O-N 3.15Å; E308-V311 HydrophobicContact CB-CB 4.45Å; E308-V311 HydrophobicContact CB-CG2 4.3Å; E308-V311 PolarHBondContact O-N 3.02Å
309D63.2Low84.4Confident173 Ų17366.3 Ų66.393%0.92540%0.402SS*.THydrogen-bonded Turntrans-57.6117.6-176.5-78.9-35.7000111.8
310G67.5Low84Confident82 Ų8266.9 Ų66.985%0.84541%0.408SS*.THydrogen-bonded Turntrans86.8-0.4175.300000115.8E308E308-G310 PolarHBondContact O-N 3.29Å; E308-G310 VanDerWaalsContact O-N 3.15Å
311V74.6Confident83.9Confident57 Ų5766.2 Ų66.235%0.34540%0.404SS..  trans-101.2112.9175.7-173.10000110P304 E308P304-V311 HydrophobicContact CB-CG1 3.66Å; P304-V311 HydrophobicContact CG-CG1 3.94Å; E308-V311 HydrophobicContact CB-CB 4.45Å; E308-V311 HydrophobicContact CB-CG2 4.3Å; E308-V311 PolarHBondContact O-N 3.02Å
312P79.9Confident83.8Confident93 Ų9373.8 Ų73.860%0.60443%0.431SS*.  trans-66.8144.2179.427.9-33.6000110.8
313P86.8Confident83.8Confident92 Ų9276.7 Ų76.760%0.59744%0.444SS*.  trans-65.3136.9176.626.6-33.6000110.9P304P304-P313 VanDerWaalsContact O-CA 3.31Å; P304-P313 WeakPolarHBondContact O-CA 3.49Å
314I89.7Confident83.8Confident44 Ų4485.4 Ų85.423%0.22648%0.48CS..  trans-113.1107.6174.9-56.3176.6000108.4P304 I316 K339 L340P304-I314 HydrophobicContact CG-CD1 4.29Å; P304-I314 PolarHBondContact O-N 3.26Å; I314-I316 HydrophobicContact CG2-CD1 4.49Å; I314-I316 PolarHBondContact O-N 3.31Å; I314-K339 HydrophobicContact CG2-CB 4.06Å; I314-L340 HydrophobicContact CB-CD2 4.11Å; I314-L340 HydrophobicContact CD1-CD2 3.88Å; I314-L340 HydrophobicContact CG2-CD2 3.85Å
315A88.7Confident84.1Confident82 Ų8289.2 Ų89.268%0.67850%0.496SS*.  trans-78.8120.1-179.800000111.9K339A315-K339 PolarHBondContact O-NZ 2.88Å
316I91.5Very high84.5Confident16 Ų1686.5 Ų86.58%0.08249%0.488CS..  trans-88.9123.4171.9-58-53.3000108.9L299 N300 A303 I314 V318 Q336 L340L299-I316 HydrophobicContact CB-CG2 4.36Å; N300-I316 HydrophobicContact CB-CB 4.47Å; N300-I316 HydrophobicContact CB-CG2 4.32Å; A303-I316 HydrophobicContact CB-CD1 4Å; A303-I316 HydrophobicContact CB-CG1 3.49Å; A303-I316 VanDerWaalsContact CB-CG1 3.49Å; I314-I316 HydrophobicContact CG2-CD1 4.49Å; I314-I316 PolarHBondContact O-N 3.31Å; I316-V318 HydrophobicContact CG2-CG1 4.25Å; I316-V318 PolarHBondContact O-N 3.3Å; I316-Q336 HydrophobicContact CD1-CB 4.31Å; I316-Q336 HydrophobicContact CG2-CB 4.03Å; I316-Q336 HydrophobicContact CG2-CG 4.03Å; I316-L340 HydrophobicContact CD1-CD1 4.23Å; I316-L340 HydrophobicContact CD1-CD2 4.37Å; I316-L340 HydrophobicContact CD1-CG 4.15Å
317D90.5Very high85.3Confident80 Ų8089.4 Ų89.443%0.42849%0.494SS..  trans-82.5106.1171.8-178.816.5000109.9S319D317-S319 VanDerWaalsContact C-N 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.3Å; D317-S319 PolarHBondContact OD1-N 3.12Å; D317-S319 PolarHBondContact OD1-OG 3.1Å; D317-S319 PolarHBondContact OD2-OG 3.37Å
318V89Confident86.4Confident60 Ų6087.8 Ų87.836%0.36448%0.481SS..G310 helixtrans-83.9-2.2177-61.90000113.1N300 I316 G320 I321N300-V318 HydrophobicContact CB-CG1 3.94Å; I316-V318 HydrophobicContact CG2-CG1 4.25Å; I316-V318 PolarHBondContact O-N 3.3Å; V318-G320 PolarHBondContact O-N 3.27Å; V318-I321 WeakPolarHBondContact O-CB 3.41Å; V318-I321 WeakPolarHBondContact O-CG2 3.32Å; V318-I321 PolarHBondContact O-N 3.48Å
319S89.8Confident87.8Confident48 Ų4881.9 Ų81.934%0.33645%0.453SS..G310 helixtrans-59.5-31.1-178.377.30000112.7D317 I321 R322D317-S319 VanDerWaalsContact C-N 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.3Å; D317-S319 PolarHBondContact OD1-N 3.12Å; D317-S319 PolarHBondContact OD1-OG 3.1Å; D317-S319 PolarHBondContact OD2-OG 3.37Å; S319-I321 PolarHBondContact O-N 2.83Å; S319-I321 VanDerWaalsContact O-N 3.14Å; S319-R322 PolarHBondContact O-N 2.85Å; S319-R322 VanDerWaalsContact O-N 3.17Å
320G87.2Confident89.3Confident12 Ų1273.7 Ų73.712%0.12441%0.409CS..G310 helixtrans-59.4-19.5176.100000114.2V318 R322 E323 R329V318-G320 PolarHBondContact O-N 3.27Å; G320-R322 PolarHBondContact O-N 3.46Å; G320-R322 VanDerWaalsContact O-N 3.1Å; G320-E323 WeakPolarHBondContact O-CB 3.34Å; G320-E323 PolarHBondContact O-N 2.65Å; G320-R329 WeakPolarHBondContact O-CG 3.33Å
321I90.4Very high90.7Very high51 Ų5172.9 Ų72.926%0.26238%0.383SS..G310 helixtrans-60.2-23.4175.6-153.4171.8000113K293 Y296 V318 S319 E323K293-I321 HydrophobicContact CB-CD1 4.18Å; K293-I321 HydrophobicContact CB-CG1 4.33Å; K293-I321 HydrophobicContact CD-CG1 4.46Å; K293-I321 HydrophobicContact CG-CD1 4.23Å; K293-I321 HydrophobicContact CG-CG1 3.9Å; Y296-I321 HydrophobicContact CD2-CB 4.29Å; Y296-I321 HydrophobicContact CD2-CG1 4.25Å; Y296-I321 HydrophobicContact CG-CB 4.44Å; V318-I321 WeakPolarHBondContact O-CB 3.41Å; V318-I321 WeakPolarHBondContact O-CG2 3.32Å; V318-I321 PolarHBondContact O-N 3.48Å; S319-I321 PolarHBondContact O-N 2.83Å; S319-I321 VanDerWaalsContact O-N 3.14Å; I321-E323 VanDerWaalsContact C-N 3.31Å
322R91.3Very high91.7Very high198 Ų19872.4 Ų72.475%0.74738%0.382SS*.G310 helixtrans-82.5-7178.9-69.8-176.1-85.4-1171.1113.7S319 G320 K324S319-R322 PolarHBondContact O-N 2.85Å; S319-R322 VanDerWaalsContact O-N 3.17Å; G320-R322 PolarHBondContact O-N 3.46Å; G320-R322 VanDerWaalsContact O-N 3.1Å; R322-K324 PolarHBondContact O-N 2.73Å
323E94.3Very high92.4Very high65 Ų6568 Ų6830%0.30435%0.353SS..  trans-59.8135.5176.9-178.746-116.900110.2G320 I321 E325 K328 R329G320-E323 WeakPolarHBondContact O-CB 3.34Å; G320-E323 PolarHBondContact O-N 2.65Å; I321-E323 VanDerWaalsContact C-N 3.31Å; E323-E325 PolarHBondContact OE1-N 3.43Å; E323-E325 VanDerWaalsContact OE1-N 3.16Å; E323-K328 HydrophobicContact CG-CB 3.63Å; E323-R329 HydrophobicContact CB-CB 4.01Å; E323-R329 HydrophobicContact CB-CG 4.32Å; E323-R329 HydrophobicContact CG-CB 4.22Å; E323-R329 PolarHBondContact O-NE 2.98Å; E323-R329 PolarHBondContact O-NH2 3.39Å
324K92.3Very high92.9Very high188 Ų18863.6 Ų63.682%0.81732%0.324SS*.SBendtrans-82.5-36.1-174.8-67.3-175.8-178.5179.20111.8R322 R329R322-K324 PolarHBondContact O-N 2.73Å; K324-R329 PolarHBondContact O-NH2 3.33Å
325E95.3Very high93.1Very high103 Ų10364.8 Ų64.848%0.48133%0.331SS..SBendtrans-83.1119.1-179.9-68.3174.1-129.900110.5E323 L327 K328 R329E323-E325 PolarHBondContact OE1-N 3.43Å; E323-E325 VanDerWaalsContact OE1-N 3.16Å; E325-L327 VanDerWaalsContact C-N 3.25Å; E325-L327 PolarHBondContact O-N 3.18Å; E325-K328 HydrophobicContact CB-CB 4.17Å; E325-K328 HydrophobicContact CB-CD 4.1Å; E325-K328 HydrophobicContact CB-CG 4.15Å; E325-K328 HydrophobicContact CG-CD 4.49Å; E325-K328 PolarHBondContact O-N 2.83Å; E325-K328 IonicContact OE1-NZ 2.93Å; E325-K328 PolarHBondContact OE1-NZ 3.18Å; E325-K328 WeakPolarHBondContact OE2-CD 3.5Å; E325-K328 WeakPolarHBondContact OE2-CE 3.28Å; E325-K328 IonicContact OE2-NZ 2.77Å; E325-K328 PolarHBondContact OE2-NZ 2.87Å; E325-K328 VanDerWaalsContact OE2-NZ 3.11Å; E325-R329 WeakPolarHBondContact O-CB 3.14Å; E325-R329 PolarHBondContact O-N 3.2Å
326D93.9Very high93.4Very high66 Ų6661.7 Ų61.735%0.35330%0.303SS..Hα-helixtrans-59.2-35.7-176.2-70.1-23.3000112.7R329 A330 V352D326-R329 PolarHBondContact O-N 3.3Å; D326-R329 IonicContact OD1-CZ 2.72Å; D326-R329 IonicContact OD1-NH1 2.57Å; D326-R329 PolarHBondContact OD1-NH1 3.3Å; D326-R329 IonicContact OD1-NH2 2.64Å; D326-R329 PolarHBondContact OD1-NH2 3.25Å; D326-A330 WeakPolarHBondContact O-CB 3.43Å; D326-A330 PolarHBondContact O-N 3.23Å; D326-V352 HydrophobicContact CB-CG1 4.24Å; D326-V352 HydrophobicContact CB-CG2 3.97Å
327L94.9Very high93.6Very high97 Ų9760.9 Ų60.951%0.50830%0.299SS..Hα-helixtrans-65.6-44.4178.2-168.970.9000112.2E325 R329 A330 E331 P348 A349 V352E325-L327 VanDerWaalsContact C-N 3.25Å; E325-L327 PolarHBondContact O-N 3.18Å; L327-R329 VanDerWaalsContact C-N 3.34Å; L327-A330 PolarHBondContact O-N 3.07Å; L327-E331 PolarHBondContact O-N 2.83Å; L327-P348 HydrophobicContact CD1-CB 3.78Å; L327-P348 HydrophobicContact CG-CB 4.41Å; L327-A349 HydrophobicContact CD1-CB 4.32Å; L327-V352 HydrophobicContact CD1-CG2 4.4Å
328K95.5Very high93.8Very high99 Ų9961.2 Ų61.243%0.4330%0.301SS..Hα-helixtrans-66.7-39.4175-68.6-179.4-178.9160.70110.9E323 E325 A330 E331 C332E323-K328 HydrophobicContact CG-CB 3.63Å; E325-K328 HydrophobicContact CB-CB 4.17Å; E325-K328 HydrophobicContact CB-CD 4.1Å; E325-K328 HydrophobicContact CB-CG 4.15Å; E325-K328 HydrophobicContact CG-CD 4.49Å; E325-K328 PolarHBondContact O-N 2.83Å; E325-K328 IonicContact OE1-NZ 2.93Å; E325-K328 PolarHBondContact OE1-NZ 3.18Å; E325-K328 WeakPolarHBondContact OE2-CD 3.5Å; E325-K328 WeakPolarHBondContact OE2-CE 3.28Å; E325-K328 IonicContact OE2-NZ 2.77Å; E325-K328 PolarHBondContact OE2-NZ 2.87Å; E325-K328 VanDerWaalsContact OE2-NZ 3.11Å; K328-A330 VanDerWaalsContact C-N 3.3Å; K328-A330 PolarHBondContact O-N 3.36Å; K328-E331 PolarHBondContact O-N 3.39Å; K328-C332 PolarHBondContact O-N 3.28Å; K328-C332 PolarHBondContact O-SG 3.3Å; K328-C332 VanDerWaalsContact O-SG 3.34Å
329R96.5Very high94Very high14 Ų1463.4 Ų63.45%0.05331%0.305CS..Hα-helixtrans-60.2-42.1176-167173.8-30.1119.110.5111.5D291 Y296 G320 E323 K324 E325 D326 L327 M333D291-R329 WeakPolarHBondContact O-CD 3.48Å; D291-R329 PolarHBondContact O-NH1 2.94Å; Y296-R329 HydrophobicContact CE2-CG 3.82Å; Y296-R329 PolarHBondContact OH-O 3.44Å; G320-R329 WeakPolarHBondContact O-CG 3.33Å; E323-R329 HydrophobicContact CB-CB 4.01Å; E323-R329 HydrophobicContact CB-CG 4.32Å; E323-R329 HydrophobicContact CG-CB 4.22Å; E323-R329 PolarHBondContact O-NE 2.98Å; E323-R329 PolarHBondContact O-NH2 3.39Å; K324-R329 PolarHBondContact O-NH2 3.33Å; E325-R329 WeakPolarHBondContact O-CB 3.14Å; E325-R329 PolarHBondContact O-N 3.2Å; D326-R329 PolarHBondContact O-N 3.3Å; D326-R329 IonicContact OD1-CZ 2.72Å; D326-R329 IonicContact OD1-NH1 2.57Å; D326-R329 PolarHBondContact OD1-NH1 3.3Å; D326-R329 IonicContact OD1-NH2 2.64Å; D326-R329 PolarHBondContact OD1-NH2 3.25Å; L327-R329 VanDerWaalsContact C-N 3.34Å; R329-M333 WeakPolarHBondContact O-CB 3.48Å; R329-M333 PolarHBondContact O-N 3.34Å
330A95.9Very high94.1Very high0 Ų061.3 Ų61.30%029%0.29CS..Hα-helixtrans-66.4-4217600000112.4S292 D326 L327 K328 M333 L334 P348 V351 V352S292-A330 VanDerWaalsContact OG-CA 3.31Å; S292-A330 WeakPolarHBondContact OG-CA 3.27Å; S292-A330 WeakPolarHBondContact OG-CB 3.23Å; D326-A330 WeakPolarHBondContact O-CB 3.43Å; D326-A330 PolarHBondContact O-N 3.23Å; L327-A330 PolarHBondContact O-N 3.07Å; K328-A330 VanDerWaalsContact C-N 3.3Å; K328-A330 PolarHBondContact O-N 3.36Å; A330-M333 WeakPolarHBondContact O-CB 3.06Å; A330-M333 PolarHBondContact O-N 3.07Å; A330-L334 WeakPolarHBondContact O-CG 3.37Å; A330-L334 PolarHBondContact O-N 3.1Å; A330-P348 HydrophobicContact CB-CB 3.89Å; A330-V351 HydrophobicContact CB-CB 4.18Å; A330-V351 HydrophobicContact CB-CG1 4.29Å; A330-V352 HydrophobicContact CB-CG2 4.08Å
331E96.1Very high94.2Very high66 Ų6661.8 Ų61.831%0.30830%0.295SS..Hα-helixtrans-59.9-51173.8-177.762.4-14900111.4L327 K328 M333 L334 D335 R343 P348L327-E331 PolarHBondContact O-N 2.83Å; K328-E331 PolarHBondContact O-N 3.39Å; E331-M333 PolarHBondContact O-N 3.49Å; E331-L334 PolarHBondContact O-N 3.12Å; E331-D335 PolarHBondContact O-N 3.35Å; E331-R343 VanDerWaalsContact CD-NH2 3.34Å; E331-R343 IonicContact OE1-CZ 2.66Å; E331-R343 VanDerWaalsContact OE1-CZ 3.31Å; E331-R343 IonicContact OE1-NH1 3.82Å; E331-R343 PolarHBondContact OE1-NH1 2.91Å; E331-R343 IonicContact OE1-NH2 3.94Å; E331-R343 PolarHBondContact OE1-NH2 3.05Å; E331-R343 IonicContact OE2-NH2 3.99Å; E331-R343 PolarHBondContact OE2-NH2 3.48Å; E331-R343 VanDerWaalsContact OE2-NH2 3.16Å; E331-P348 HydrophobicContact CB-CB 4.41Å; E331-P348 HydrophobicContact CB-CG 3.94Å; E331-P348 WeakPolarHBondContact OE2-CG 3.48Å
332C95.5Very high94.3Very high46 Ų4659.4 Ų59.431%0.31128%0.283SS..Hα-helixtrans-58.7-32.7176.8-67.70000112.5Y296 K328 Q336Y296-C332 WeakPolarHBondContact OH-CB 3.3Å; K328-C332 PolarHBondContact O-N 3.28Å; K328-C332 PolarHBondContact O-SG 3.3Å; K328-C332 VanDerWaalsContact O-SG 3.34Å; C332-Q336 WeakPolarHBondContact O-CG 3.32Å; C332-Q336 PolarHBondContact O-N 3.06Å; C332-Q336 PolarHBondContact O-NE2 3.11Å
333M96.3Very high94.3Very high0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-68.7-43.9176.3-179.9-82.1-65.400110.7Y295 Y296 L299 R329 A330 E331 D335 Q336 A337 V351 F362Y295-M333 HydrophobicContact CD2-CE 3.65Å; Y295-M333 HydrophobicContact CD2-SD 4.33Å; Y295-M333 HydrophobicContact CE2-CE 4.43Å; Y295-M333 HydrophobicContact CG-CE 4.11Å; Y295-M333 HydrophobicContact CG-SD 4.18Å; Y296-M333 HydrophobicContact CD2-CB 4.14Å; Y296-M333 HydrophobicContact CD2-CG 4.21Å; Y296-M333 HydrophobicContact CE1-CB 4.36Å; Y296-M333 HydrophobicContact CE2-CB 3.59Å; Y296-M333 HydrophobicContact CE2-CG 4.17Å; Y296-M333 PolarHBondContact OH-N 3.16Å; L299-M333 HydrophobicContact CD1-CG 3.82Å; L299-M333 HydrophobicContact CD1-SD 3.75Å; R329-M333 WeakPolarHBondContact O-CB 3.48Å; R329-M333 PolarHBondContact O-N 3.34Å; A330-M333 WeakPolarHBondContact O-CB 3.06Å; A330-M333 PolarHBondContact O-N 3.07Å; E331-M333 PolarHBondContact O-N 3.49Å; M333-D335 VanDerWaalsContact C-N 3.32Å; M333-D335 PolarHBondContact O-N 3.03Å; M333-Q336 WeakPolarHBondContact O-CB 3.03Å; M333-Q336 PolarHBondContact O-N 3.37Å; M333-Q336 VanDerWaalsContact O-N 3.09Å; M333-A337 PolarHBondContact O-N 3.15Å; M333-V351 HydrophobicContact CE-CG1 4.25Å; M333-V351 HydrophobicContact CE-CG2 3.94Å; M333-F362 HydrophobicContact SD-CE1 4.34Å; M333-F362 HydrophobicContact SD-CZ 4.09Å
334L95.5Very high94Very high0 Ų051.2 Ų51.20%025%0.25CS..Hα-helixtrans-68.1-30.9177.2-67177.6000112.4A330 E331 Q336 A337 D338 R343 V346 P348 F362A330-L334 WeakPolarHBondContact O-CG 3.37Å; A330-L334 PolarHBondContact O-N 3.1Å; E331-L334 PolarHBondContact O-N 3.12Å; L334-Q336 VanDerWaalsContact C-N 3.29Å; L334-Q336 PolarHBondContact O-N 3.07Å; L334-A337 PolarHBondContact O-N 3.42Å; L334-D338 PolarHBondContact O-N 3Å; L334-R343 HydrophobicContact CB-CG 4.3Å; L334-V346 HydrophobicContact CD2-CG2 3.63Å; L334-P348 HydrophobicContact CD1-CG 3.97Å; L334-F362 HydrophobicContact CD2-CE2 4.11Å; L334-F362 HydrophobicContact CD2-CZ 4.32Å
335D95.1Very high93.8Very high69 Ų6942.7 Ų42.737%0.36921%0.213SC..Hα-helixtrans-61.4-38169.1-71-22.5000111.7E331 M333 D338 K339 R343E331-D335 PolarHBondContact O-N 3.35Å; M333-D335 VanDerWaalsContact C-N 3.32Å; M333-D335 PolarHBondContact O-N 3.03Å; D335-D338 PolarHBondContact O-N 3.24Å; D335-K339 PolarHBondContact O-N 3.32Å; D335-R343 IonicContact OD1-NH1 2.69Å; D335-R343 PolarHBondContact OD1-NH1 3.36Å
336Q95.5Very high93.6Very high17 Ų1738 Ų388%0.07919%0.191CC..Hα-helixtrans-69.9-38.5173.8-57.1-37.6-67.800111.8Y296 L299 I316 C332 M333 L334 D338 K339Y296-Q336 HydrophobicContact CE1-CG 4.09Å; L299-Q336 HydrophobicContact CD1-CB 4.26Å; I316-Q336 HydrophobicContact CD1-CB 4.31Å; I316-Q336 HydrophobicContact CG2-CB 4.03Å; I316-Q336 HydrophobicContact CG2-CG 4.03Å; C332-Q336 WeakPolarHBondContact O-CG 3.32Å; C332-Q336 PolarHBondContact O-N 3.06Å; C332-Q336 PolarHBondContact O-NE2 3.11Å; M333-Q336 WeakPolarHBondContact O-CB 3.03Å; M333-Q336 PolarHBondContact O-N 3.37Å; M333-Q336 VanDerWaalsContact O-N 3.09Å; L334-Q336 VanDerWaalsContact C-N 3.29Å; L334-Q336 PolarHBondContact O-N 3.07Å; Q336-D338 PolarHBondContact O-N 3.26Å; Q336-K339 WeakPolarHBondContact O-CB 3.43Å; Q336-K339 PolarHBondContact O-N 3.1Å
337A94.9Very high93.5Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-63.4-32.2174.200000112L299 M333 L334 K339 L340 G341 C342 F362L299-A337 HydrophobicContact CD1-CB 4.26Å; L299-A337 HydrophobicContact CD2-CB 4.05Å; M333-A337 PolarHBondContact O-N 3.15Å; L334-A337 PolarHBondContact O-N 3.42Å; A337-K339 VanDerWaalsContact C-N 3.33Å; A337-K339 PolarHBondContact O-N 3.08Å; A337-L340 WeakPolarHBondContact O-CB 3.42Å; A337-L340 PolarHBondContact O-N 2.68Å; A337-L340 VanDerWaalsContact O-N 3.14Å; A337-G341 PolarHBondContact O-N 2.82Å; A337-C342 HydrophobicContact CB-CB 4.39Å; A337-C342 WeakPolarHBondContact O-CA 3.39Å; A337-C342 WeakPolarHBondContact O-CB 3.45Å; A337-C342 PolarHBondContact O-N 3.42Å; A337-F362 HydrophobicContact CB-CE2 3.82Å; A337-F362 HydrophobicContact CB-CZ 3.83Å
338D94.2Very high93.4Very high87 Ų8734.2 Ų34.247%0.46517%0.171SC..Hα-helixtrans-67-32.9177.4-163.245.9000112.6L334 D335 Q336 L340 G341 R343L334-D338 PolarHBondContact O-N 3Å; D335-D338 PolarHBondContact O-N 3.24Å; Q336-D338 PolarHBondContact O-N 3.26Å; D338-L340 PolarHBondContact O-N 2.74Å; D338-G341 WeakPolarHBondContact O-CA 3.33Å; D338-G341 PolarHBondContact O-N 3Å; D338-R343 HydrophobicContact CB-CB 3.78Å
339K93.4Very high93.1Very high105 Ų10531.2 Ų31.246%0.45717%0.165SC..Hα-helixtrans-59.7-30.7171.4-63.6176178174.90112.9I314 A315 D335 Q336 A337 G341I314-K339 HydrophobicContact CG2-CB 4.06Å; A315-K339 PolarHBondContact O-NZ 2.88Å; D335-K339 PolarHBondContact O-N 3.32Å; Q336-K339 WeakPolarHBondContact O-CB 3.43Å; Q336-K339 PolarHBondContact O-N 3.1Å; A337-K339 VanDerWaalsContact C-N 3.33Å; A337-K339 PolarHBondContact O-N 3.08Å; K339-G341 VanDerWaalsContact C-N 3.29Å
340L91Very high92.8Very high5 Ų530.9 Ų30.93%0.02616%0.164CC..THydrogen-bonded Turntrans-84.7-5.4173.7-61.2177.8000112.2L299 V302 A303 I314 I316 A337 D338 C342 L366 Y370L299-L340 HydrophobicContact CD2-CD1 3.77Å; V302-L340 HydrophobicContact CG2-CD1 4.4Å; A303-L340 HydrophobicContact CB-CD1 4.5Å; A303-L340 HydrophobicContact CB-CD2 4Å; I314-L340 HydrophobicContact CB-CD2 4.11Å; I314-L340 HydrophobicContact CD1-CD2 3.88Å; I314-L340 HydrophobicContact CG2-CD2 3.85Å; I316-L340 HydrophobicContact CD1-CD1 4.23Å; I316-L340 HydrophobicContact CD1-CD2 4.37Å; I316-L340 HydrophobicContact CD1-CG 4.15Å; A337-L340 WeakPolarHBondContact O-CB 3.42Å; A337-L340 PolarHBondContact O-N 2.68Å; A337-L340 VanDerWaalsContact O-N 3.14Å; D338-L340 PolarHBondContact O-N 2.74Å; L340-C342 VanDerWaalsContact C-N 3.26Å; L340-C342 HydrophobicContact CB-CB 4.27Å; L340-L366 HydrophobicContact CD1-CD1 4.12Å; L340-Y370 HydrophobicContact CB-CD2 4.36Å; L340-Y370 HydrophobicContact CB-CE2 3.69Å; L340-Y370 HydrophobicContact CD2-CE1 4.49Å; L340-Y370 HydrophobicContact CD2-CE2 4.25Å; L340-Y370 HydrophobicContact CG-CE2 4.42Å; L340-Y370 VanDerWaalsContact O-CE2 3.3Å; L340-Y370 WeakPolarHBondContact O-CE2 3.44Å; L340-Y370 PolarHBondContact O-OH 3.46Å; L340-Y370 VanDerWaalsContact O-OH 3.06Å
341G90.2Very high92.6Very high22 Ų2230.9 Ų30.923%0.22716%0.164CC..THydrogen-bonded Turntrans70.321.8-170.900000113.1A337 D338 K339 K369A337-G341 PolarHBondContact O-N 2.82Å; D338-G341 WeakPolarHBondContact O-CA 3.33Å; D338-G341 PolarHBondContact O-N 3Å; K339-G341 VanDerWaalsContact C-N 3.29Å; G341-K369 PolarHBondContact O-NZ 3.3Å
342C92.2Very high92.5Very high0 Ų029.5 Ų29.50%016%0.16CC..  trans-103.60.3-173-66.20000114.2A337 L340 Q344 F362 N365 L366A337-C342 HydrophobicContact CB-CB 4.39Å; A337-C342 WeakPolarHBondContact O-CA 3.39Å; A337-C342 WeakPolarHBondContact O-CB 3.45Å; A337-C342 PolarHBondContact O-N 3.42Å; L340-C342 VanDerWaalsContact C-N 3.26Å; L340-C342 HydrophobicContact CB-CB 4.27Å; C342-Q344 VanDerWaalsContact C-N 3.28Å; C342-Q344 PolarHBondContact O-N 2.99Å; C342-F362 WeakPolarHBondContact O-CE2 3.48Å; C342-N365 PolarHBondContact O-ND2 3.37Å; C342-L366 HydrophobicContact CB-CD1 4.05Å
343R92.5Very high92.2Very high62 Ų6234.7 Ų34.723%0.23417%0.173CC..  trans-6983173.7-173.1174.4-179.5147.73.6110.6E331 L334 D335 D338E331-R343 VanDerWaalsContact CD-NH2 3.34Å; E331-R343 IonicContact OE1-CZ 2.66Å; E331-R343 VanDerWaalsContact OE1-CZ 3.31Å; E331-R343 IonicContact OE1-NH1 3.82Å; E331-R343 PolarHBondContact OE1-NH1 2.91Å; E331-R343 IonicContact OE1-NH2 3.94Å; E331-R343 PolarHBondContact OE1-NH2 3.05Å; E331-R343 IonicContact OE2-NH2 3.99Å; E331-R343 PolarHBondContact OE2-NH2 3.48Å; E331-R343 VanDerWaalsContact OE2-NH2 3.16Å; L334-R343 HydrophobicContact CB-CG 4.3Å; D335-R343 IonicContact OD1-NH1 2.69Å; D335-R343 PolarHBondContact OD1-NH1 3.36Å; D338-R343 HydrophobicContact CB-CB 3.78Å
344Q87.6Confident91.8Very high30 Ų3035 Ų3514%0.1418%0.176CC..  trans-143.7156.9178.6-65.5-173.1-11.500109.7C342 V346 N365C342-Q344 VanDerWaalsContact C-N 3.28Å; C342-Q344 PolarHBondContact O-N 2.99Å; Q344-V346 PolarHBondContact O-N 3.44Å; Q344-N365 PolarHBondContact OE1-OD1 2.88Å
345F88.1Confident91.5Very high8 Ų836.2 Ų36.24%0.03518%0.183CC..SBendtrans66.6-31.2177.3-53.8-76.3000117.7A121 W125 I228 L232 A361 N365A121-F345 WeakPolarHBondContact CB-O 3.32Å; W125-F345 HydrophobicContact CB-CD1 4.47Å; W125-F345 HydrophobicContact CB-CE1 4.11Å; W125-F345 AromaticContact CD1-CE1 3.62Å; W125-F345 AromaticContact CD1-CE2 3.89Å; W125-F345 AromaticContact CD1-CZ 3.28Å; W125-F345 AromaticContact CD2-CE1 3.94Å; W125-F345 HydrophobicContact CD2-CE1 3.94Å; W125-F345 HydrophobicContact CD2-CZ 4.09Å; W125-F345 AromaticContact CE2-CZ 3.83Å; W125-F345 HydrophobicContact CG-CD1 4.41Å; W125-F345 AromaticContact CG-CE1 3.62Å; W125-F345 HydrophobicContact CG-CE1 3.62Å; W125-F345 AromaticContact CG-CZ 3.78Å; W125-F345 HydrophobicContact CG-CZ 3.78Å; W125-F345 AromaticContact NE1-CE1 3.94Å; W125-F345 AromaticContact NE1-CZ 3.31Å; W125-F345 VanDerWaalsContact NE1-CZ 3.31Å; I228-F345 HydrophobicContact CG2-CE1 3.7Å; I228-F345 HydrophobicContact CG2-CZ 4.18Å; L232-F345 HydrophobicContact CD1-CE1 4.28Å; L232-F345 HydrophobicContact CD1-CE2 4.15Å; L232-F345 HydrophobicContact CD1-CZ 3.84Å; L232-F345 HydrophobicContact CD2-CE2 3.99Å; L232-F345 HydrophobicContact CD2-CZ 3.95Å; L232-F345 HydrophobicContact CG-CZ 4.3Å; F345-A361 HydrophobicContact CB-CB 3.84Å; F345-A361 HydrophobicContact CD1-CB 3.89Å; F345-A361 HydrophobicContact CD2-CB 3.96Å; F345-A361 HydrophobicContact CE1-CB 4.43Å; F345-A361 HydrophobicContact CG-CB 3.62Å; F345-N365 HydrophobicContact CD2-CB 4.26Å; F345-N365 HydrophobicContact CE2-CB 3.99Å
346V90.7Very high91.2Very high4 Ų436.5 Ų36.52%0.02419%0.188CC..  trans-117.8140.1-177-69.60000112.2L334 Q344 D350 V351 L358 F362L334-V346 HydrophobicContact CD2-CG2 3.63Å; Q344-V346 PolarHBondContact O-N 3.44Å; V346-D350 HydrophobicContact CB-CB 4.49Å; V346-V351 HydrophobicContact CB-CG2 4.21Å; V346-V351 HydrophobicContact CG2-CG2 4.36Å; V346-L358 HydrophobicContact CG1-CB 3.67Å; V346-L358 VanDerWaalsContact CG1-O 3.26Å; V346-L358 WeakPolarHBondContact CG1-O 3.18Å; V346-F362 HydrophobicContact CB-CB 4.47Å; V346-F362 HydrophobicContact CG1-CB 3.87Å; V346-F362 HydrophobicContact CG2-CB 3.74Å; V346-F362 HydrophobicContact CG2-CD1 4.33Å; V346-F362 HydrophobicContact CG2-CD2 3.53Å; V346-F362 HydrophobicContact CG2-CE2 4.2Å; V346-F362 HydrophobicContact CG2-CG 3.6Å
347M90.9Very high90.9Very high73 Ų7339.1 Ų39.136%0.3620%0.2SC..  trans-101.9164.2163-59-62.5-74.300109.7A349 D350 V351M347-A349 PolarHBondContact O-N 3.39Å; M347-D350 VanDerWaalsContact CB-OD2 3.29Å; M347-D350 WeakPolarHBondContact CB-OD2 3.45Å; M347-D350 PolarHBondContact N-OD2 3.4Å; M347-D350 WeakPolarHBondContact O-CB 3.32Å; M347-D350 PolarHBondContact O-N 3.32Å; M347-V351 PolarHBondContact O-N 2.89Å
348P92.6Very high90.7Very high12 Ų1239.1 Ų39.18%0.07820%0.2CC..Hα-helixtrans-55.4-39.2179.9-23.730.5000113.1L327 A330 E331 L334 D350 V351 V352L327-P348 HydrophobicContact CD1-CB 3.78Å; L327-P348 HydrophobicContact CG-CB 4.41Å; A330-P348 HydrophobicContact CB-CB 3.89Å; E331-P348 HydrophobicContact CB-CB 4.41Å; E331-P348 HydrophobicContact CB-CG 3.94Å; E331-P348 WeakPolarHBondContact OE2-CG 3.48Å; L334-P348 HydrophobicContact CD1-CG 3.97Å; P348-D350 VanDerWaalsContact C-N 3.28Å; P348-D350 PolarHBondContact O-N 2.91Å; P348-V351 PolarHBondContact O-N 2.87Å; P348-V352 WeakPolarHBondContact O-CG2 3.2Å; P348-V352 PolarHBondContact O-N 2.75Å; P348-V352 VanDerWaalsContact O-N 3.12Å
349A89.9Confident90.7Very high36 Ų3635 Ų3530%0.29818%0.177SC..Hα-helixtrans-61.7-36177.500000112L327 M347 V352 R353L327-A349 HydrophobicContact CD1-CB 4.32Å; M347-A349 PolarHBondContact O-N 3.39Å; A349-V352 PolarHBondContact O-N 3.16Å; A349-R353 WeakPolarHBondContact O-CB 3.39Å; A349-R353 WeakPolarHBondContact O-CG 3.39Å; A349-R353 PolarHBondContact O-N 2.94Å
350D89.6Confident90.7Very high6 Ų630.9 Ų30.93%0.03216%0.16CC..Hα-helixtrans-71.2-35.1-178.8-54.3-39000112.2E117 V346 M347 P348 G354 N355 L358 N359E117-D350 VanDerWaalsContact CB-OD1 3.3Å; E117-D350 WeakPolarHBondContact CB-OD1 3.2Å; E117-D350 VanDerWaalsContact CG-OD1 3.24Å; E117-D350 WeakPolarHBondContact CG-OD1 3.45Å; V346-D350 HydrophobicContact CB-CB 4.49Å; M347-D350 VanDerWaalsContact CB-OD2 3.29Å; M347-D350 WeakPolarHBondContact CB-OD2 3.45Å; M347-D350 PolarHBondContact N-OD2 3.4Å; M347-D350 WeakPolarHBondContact O-CB 3.32Å; M347-D350 PolarHBondContact O-N 3.32Å; P348-D350 VanDerWaalsContact C-N 3.28Å; P348-D350 PolarHBondContact O-N 2.91Å; D350-G354 PolarHBondContact O-N 3.18Å; D350-N355 HydrophobicContact CB-CB 4.45Å; D350-N355 PolarHBondContact O-N 2.84Å; D350-L358 HydrophobicContact CB-CD1 4.03Å; D350-N359 PolarHBondContact O-ND2 2.91Å
351V92.9Very high90.8Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-64.4-54173.4179.40000109.4I289 K290 S292 Y295 A330 M333 V346 M347 P348 R353 G354I289-V351 HydrophobicContact CD1-CG1 4.43Å; K290-V351 WeakPolarHBondContact CA-O 3.19Å; S292-V351 WeakPolarHBondContact OG-CG1 3.24Å; Y295-V351 HydrophobicContact CD2-CG1 4.11Å; Y295-V351 HydrophobicContact CE2-CG1 4.06Å; A330-V351 HydrophobicContact CB-CB 4.18Å; A330-V351 HydrophobicContact CB-CG1 4.29Å; M333-V351 HydrophobicContact CE-CG1 4.25Å; M333-V351 HydrophobicContact CE-CG2 3.94Å; V346-V351 HydrophobicContact CB-CG2 4.21Å; V346-V351 HydrophobicContact CG2-CG2 4.36Å; M347-V351 PolarHBondContact O-N 2.89Å; P348-V351 PolarHBondContact O-N 2.87Å; V351-R353 VanDerWaalsContact C-N 3.33Å; V351-R353 PolarHBondContact O-N 2.65Å; V351-G354 WeakPolarHBondContact O-CA 3.35Å; V351-G354 PolarHBondContact O-N 2.76Å
352V93.1Very high91Very high38 Ų3829.6 Ų29.623%0.2315%0.148CC..Hα-helixtrans-65.2-36-178178.40000112.2K290 D326 L327 A330 P348 A349 G354K290-V352 VanDerWaalsContact CD-O 3.28Å; K290-V352 WeakPolarHBondContact CD-O 3.38Å; K290-V352 WeakPolarHBondContact CE-O 3.47Å; K290-V352 WeakPolarHBondContact CG-O 3.12Å; K290-V352 PolarHBondContact NZ-O 2.75Å; K290-V352 VanDerWaalsContact NZ-O 3.09Å; D326-V352 HydrophobicContact CB-CG1 4.24Å; D326-V352 HydrophobicContact CB-CG2 3.97Å; L327-V352 HydrophobicContact CD1-CG2 4.4Å; A330-V352 HydrophobicContact CB-CG2 4.08Å; P348-V352 WeakPolarHBondContact O-CG2 3.2Å; P348-V352 PolarHBondContact O-N 2.75Å; P348-V352 VanDerWaalsContact O-N 3.12Å; A349-V352 PolarHBondContact O-N 3.16Å; V352-G354 PolarHBondContact O-N 3.49Å
353R89.8Confident91.2Very high154 Ų15429.7 Ų29.758%0.58115%0.149SC*.Hα-helixtrans-70.9-22.1173.1-72.8172.7176.9-175.1-0.7112.2E117 K290 A349 V351E117-R353 IonicContact OE1-CZ 2.8Å; E117-R353 IonicContact OE1-NH1 2.71Å; E117-R353 PolarHBondContact OE1-NH1 2.84Å; K290-R353 WeakPolarHBondContact CE-O 3.45Å; K290-R353 PolarHBondContact NZ-O 2.91Å; A349-R353 WeakPolarHBondContact O-CB 3.39Å; A349-R353 WeakPolarHBondContact O-CG 3.39Å; A349-R353 PolarHBondContact O-N 2.94Å; V351-R353 VanDerWaalsContact C-N 3.33Å; V351-R353 PolarHBondContact O-N 2.65Å
354G88.1Confident91.3Very high6 Ų626.7 Ų26.76%0.06214%0.138CC..THydrogen-bonded Turntrans72.442.6178.800000112S286 D350 V351 V352 P356S286-G354 WeakPolarHBondContact CA-O 3.5Å; S286-G354 VanDerWaalsContact CB-O 3.25Å; S286-G354 WeakPolarHBondContact CB-O 3.35Å; D350-G354 PolarHBondContact O-N 3.18Å; V351-G354 WeakPolarHBondContact O-CA 3.35Å; V351-G354 PolarHBondContact O-N 2.76Å; V352-G354 PolarHBondContact O-N 3.49Å; G354-P356 VanDerWaalsContact O-CD 3.23Å; G354-P356 WeakPolarHBondContact O-CD 3.49Å; G354-P356 VanDerWaalsContact O-N 3.17Å
355N89.2Confident91.6Very high27 Ų2725.9 Ų25.914%0.14413%0.134CC..  trans-65.1110.5178.2-177.1-43.2000109.7D350 K357 L358 N359D350-N355 HydrophobicContact CB-CB 4.45Å; D350-N355 PolarHBondContact O-N 2.84Å; N355-K357 VanDerWaalsContact C-N 3.33Å; N355-K357 PolarHBondContact O-N 3.43Å; N355-K357 PolarHBondContact OD1-N 2.72Å; N355-K357 VanDerWaalsContact OD1-N 3.12Å; N355-L358 HydrophobicContact CB-CB 4.36Å; N355-L358 HydrophobicContact CB-CD1 4.44Å; N355-L358 HydrophobicContact CB-CG 4.45Å; N355-L358 PolarHBondContact O-N 3.01Å; N355-L358 PolarHBondContact OD1-N 3.27Å; N355-N359 PolarHBondContact N-ND2 2.9Å; N355-N359 VanDerWaalsContact O-CB 3.32Å; N355-N359 WeakPolarHBondContact O-CB 3.37Å; N355-N359 PolarHBondContact O-N 2.81Å; N355-N359 VanDerWaalsContact O-N 3.08Å; N355-N359 PolarHBondContact O-ND2 3.48Å
356P88.8Confident91.9Very high74 Ų7425.6 Ų25.648%0.48113%0.133SC..Hα-helixtrans-65.2-33.9-170.124.7-33.6000113.2G354 L360G354-P356 VanDerWaalsContact O-CD 3.23Å; G354-P356 WeakPolarHBondContact O-CD 3.49Å; G354-P356 VanDerWaalsContact O-N 3.17Å; P356-L360 WeakPolarHBondContact O-CB 3.26Å; P356-L360 PolarHBondContact O-N 3.17Å
357K88.5Confident92.1Very high73 Ų7325.4 Ų25.432%0.31713%0.132SC..Hα-helixtrans-72-48.5-177.6-65.9-171.5-159.3154.60111.4E118 W225 N355 L360 A361E118-K357 VanDerWaalsContact OE1-CD 3.3Å; E118-K357 WeakPolarHBondContact OE1-CD 3.33Å; E118-K357 WeakPolarHBondContact OE1-CE 3.42Å; E118-K357 IonicContact OE1-NZ 2.63Å; E118-K357 PolarHBondContact OE1-NZ 3.42Å; E118-K357 IonicContact OE2-NZ 2.62Å; E118-K357 PolarHBondContact OE2-NZ 3.38Å; W225-K357 HydrophobicContact CD2-CD 4.12Å; W225-K357 HydrophobicContact CG-CD 4.34Å; W225-K357 HydrophobicContact CH2-CB 3.91Å; W225-K357 WeakPolarHBondContact CH2-O 3.42Å; W225-K357 HydrophobicContact CZ2-CB 3.87Å; W225-K357 HydrophobicContact CZ2-CD 4.21Å; W225-K357 HydrophobicContact CZ2-CG 4.01Å; W225-K357 HydrophobicContact CZ3-CB 4.33Å; N355-K357 VanDerWaalsContact C-N 3.33Å; N355-K357 PolarHBondContact O-N 3.43Å; N355-K357 PolarHBondContact OD1-N 2.72Å; N355-K357 VanDerWaalsContact OD1-N 3.12Å; K357-L360 PolarHBondContact O-N 3.11Å; K357-A361 WeakPolarHBondContact O-CB 3.43Å; K357-A361 PolarHBondContact O-N 3.18Å
358L91.4Very high92.1Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-67.2-43-177.9-59.9-176.2000110.9E117 E118 A121 F122 V346 D350 N355 L360 A361 F362E117-L358 HydrophobicContact CB-CD1 4Å; E118-L358 HydrophobicContact CG-CD2 4.35Å; A121-L358 HydrophobicContact CB-CD1 4.16Å; A121-L358 HydrophobicContact CB-CD2 3.64Å; F122-L358 HydrophobicContact CE1-CD2 4.37Å; V346-L358 HydrophobicContact CG1-CB 3.67Å; V346-L358 VanDerWaalsContact CG1-O 3.26Å; V346-L358 WeakPolarHBondContact CG1-O 3.18Å; D350-L358 HydrophobicContact CB-CD1 4.03Å; N355-L358 HydrophobicContact CB-CB 4.36Å; N355-L358 HydrophobicContact CB-CD1 4.44Å; N355-L358 HydrophobicContact CB-CG 4.45Å; N355-L358 PolarHBondContact O-N 3.01Å; N355-L358 PolarHBondContact OD1-N 3.27Å; L358-L360 PolarHBondContact O-N 2.95Å; L358-A361 PolarHBondContact O-N 3.19Å; L358-F362 PolarHBondContact O-N 3.36Å
359N93.9Very high92Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-64.4-38.5176.5-77.9-71000112.4F285 I289 Y295 D350 N355 F362 V363F285-N359 HydrophobicContact CB-CB 4.16Å; F285-N359 VanDerWaalsContact O-CB 3.26Å; F285-N359 WeakPolarHBondContact O-CB 3.45Å; I289-N359 HydrophobicContact CD1-CB 4.17Å; I289-N359 VanDerWaalsContact CD1-CG 3.43Å; I289-N359 WeakPolarHBondContact CD1-OD1 3.47Å; I289-N359 HydrophobicContact CG1-CB 4.48Å; Y295-N359 WeakPolarHBondContact CE2-OD1 3.41Å; Y295-N359 VanDerWaalsContact OH-CB 3.28Å; Y295-N359 WeakPolarHBondContact OH-CB 2.83Å; Y295-N359 PolarHBondContact OH-O 2.9Å; Y295-N359 PolarHBondContact OH-OD1 3.4Å; D350-N359 PolarHBondContact O-ND2 2.91Å; N355-N359 PolarHBondContact N-ND2 2.9Å; N355-N359 VanDerWaalsContact O-CB 3.32Å; N355-N359 WeakPolarHBondContact O-CB 3.37Å; N355-N359 PolarHBondContact O-N 2.81Å; N355-N359 VanDerWaalsContact O-N 3.08Å; N355-N359 PolarHBondContact O-ND2 3.48Å; N359-F362 PolarHBondContact O-N 3.31Å; N359-V363 VanDerWaalsContact O-CG2 3.27Å; N359-V363 WeakPolarHBondContact O-CG2 3.08Å; N359-V363 PolarHBondContact O-N 3.5Å
360L93Very high92.1Very high19 Ų1929.3 Ų29.310%0.09914%0.14CC..Hα-helixtrans-63.8-41.7172.5178.563.8000111.9F233 E263 L266 F285 P356 K357 L358 V363 A364F233-L360 HydrophobicContact CE1-CG 4.35Å; F233-L360 HydrophobicContact CZ-CD1 4.04Å; F233-L360 HydrophobicContact CZ-CD2 3.82Å; F233-L360 HydrophobicContact CZ-CG 3.83Å; E263-L360 HydrophobicContact CG-CD1 4.25Å; E263-L360 HydrophobicContact CG-CD2 3.81Å; L266-L360 HydrophobicContact CD1-CD1 3.8Å; F285-L360 HydrophobicContact CD2-CD1 3.78Å; F285-L360 HydrophobicContact CE2-CD1 3.9Å; P356-L360 WeakPolarHBondContact O-CB 3.26Å; P356-L360 PolarHBondContact O-N 3.17Å; K357-L360 PolarHBondContact O-N 3.11Å; L358-L360 PolarHBondContact O-N 2.95Å; L360-V363 PolarHBondContact O-N 3.13Å; L360-A364 WeakPolarHBondContact O-CB 3.44Å; L360-A364 PolarHBondContact O-N 3.45Å
361A92.8Very high92.1Very high0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-65.3-40.1176.700000112.5W225 L232 F345 K357 L358 A364 N365W225-A361 HydrophobicContact CH2-CB 4.21Å; W225-A361 HydrophobicContact CZ3-CB 4.01Å; L232-A361 HydrophobicContact CD1-CB 3.68Å; F345-A361 HydrophobicContact CB-CB 3.84Å; F345-A361 HydrophobicContact CD1-CB 3.89Å; F345-A361 HydrophobicContact CD2-CB 3.96Å; F345-A361 HydrophobicContact CE1-CB 4.43Å; F345-A361 HydrophobicContact CG-CB 3.62Å; K357-A361 WeakPolarHBondContact O-CB 3.43Å; K357-A361 PolarHBondContact O-N 3.18Å; L358-A361 PolarHBondContact O-N 3.19Å; A361-A364 PolarHBondContact O-N 2.86Å; A361-N365 WeakPolarHBondContact O-CB 3.47Å; A361-N365 PolarHBondContact O-N 3.45Å
362F95.1Very high92Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-59.6-46.7173173.7-107.6000111.8Y295 M333 L334 A337 C342 V346 L358 N359 N365 L366Y295-F362 HydrophobicContact CD1-CD1 4.2Å; Y295-F362 AromaticContact CD1-CE1 3.75Å; Y295-F362 HydrophobicContact CD1-CE1 3.75Å; Y295-F362 AromaticContact CE1-CD1 3.74Å; Y295-F362 HydrophobicContact CE1-CD1 3.74Å; Y295-F362 AromaticContact CE1-CE1 3.78Å; Y295-F362 HydrophobicContact CE1-CE1 3.78Å; Y295-F362 HydrophobicContact CE2-CD1 4.42Å; Y295-F362 HydrophobicContact CE2-CE1 4.5Å; Y295-F362 HydrophobicContact CG-CE1 4.15Å; Y295-F362 AromaticContact CZ-CD1 3.85Å; M333-F362 HydrophobicContact SD-CE1 4.34Å; M333-F362 HydrophobicContact SD-CZ 4.09Å; L334-F362 HydrophobicContact CD2-CE2 4.11Å; L334-F362 HydrophobicContact CD2-CZ 4.32Å; A337-F362 HydrophobicContact CB-CE2 3.82Å; A337-F362 HydrophobicContact CB-CZ 3.83Å; C342-F362 WeakPolarHBondContact O-CE2 3.48Å; V346-F362 HydrophobicContact CB-CB 4.47Å; V346-F362 HydrophobicContact CG1-CB 3.87Å; V346-F362 HydrophobicContact CG2-CB 3.74Å; V346-F362 HydrophobicContact CG2-CD1 4.33Å; V346-F362 HydrophobicContact CG2-CD2 3.53Å; V346-F362 HydrophobicContact CG2-CE2 4.2Å; V346-F362 HydrophobicContact CG2-CG 3.6Å; L358-F362 PolarHBondContact O-N 3.36Å; N359-F362 PolarHBondContact O-N 3.31Å; F362-N365 PolarHBondContact O-N 3.18Å; F362-L366 WeakPolarHBondContact O-CB 3.45Å; F362-L366 PolarHBondContact O-N 3.47Å
363V95.7Very high91.7Very high1 Ų131.9 Ų31.91%0.00616%0.161CC..Hα-helixtrans-64.5-42.6177.7170.20000111.7L266 W269 F285 Y295 N359 L360 L366 F367L266-V363 HydrophobicContact CB-CG1 4.31Å; L266-V363 HydrophobicContact CD1-CG1 4.47Å; L266-V363 HydrophobicContact CD2-CG1 4.13Å; W269-V363 HydrophobicContact CE3-CG1 4.17Å; W269-V363 HydrophobicContact CZ3-CG1 3.9Å; F285-V363 HydrophobicContact CD1-CG2 3.81Å; F285-V363 HydrophobicContact CE1-CB 4.22Å; F285-V363 HydrophobicContact CE1-CG1 3.86Å; F285-V363 HydrophobicContact CE1-CG2 3.71Å; F285-V363 HydrophobicContact CZ-CB 4.44Å; F285-V363 HydrophobicContact CZ-CG1 3.8Å; F285-V363 HydrophobicContact CZ-CG2 4.4Å; Y295-V363 HydrophobicContact CE1-CG2 3.56Å; N359-V363 VanDerWaalsContact O-CG2 3.27Å; N359-V363 WeakPolarHBondContact O-CG2 3.08Å; N359-V363 PolarHBondContact O-N 3.5Å; L360-V363 PolarHBondContact O-N 3.13Å; V363-L366 PolarHBondContact O-N 3.12Å; V363-F367 PolarHBondContact O-N 3.35Å
364A94.8Very high91.2Very high0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-61.2-44.8176.100000112L232 F233 I236 L266 L360 A361 L366 F367 N368L232-A364 HydrophobicContact CB-CB 4.09Å; L232-A364 HydrophobicContact CD1-CB 4.47Å; F233-A364 HydrophobicContact CD1-CB 4.14Å; F233-A364 HydrophobicContact CE1-CB 3.8Å; I236-A364 HydrophobicContact CD1-CB 4.04Å; L266-A364 HydrophobicContact CD1-CB 3.71Å; L360-A364 WeakPolarHBondContact O-CB 3.44Å; L360-A364 PolarHBondContact O-N 3.45Å; A361-A364 PolarHBondContact O-N 2.86Å; A364-L366 VanDerWaalsContact C-N 3.31Å; A364-L366 PolarHBondContact O-N 3.38Å; A364-F367 PolarHBondContact O-N 3.21Å; A364-N368 WeakPolarHBondContact O-CB 3.46Å; A364-N368 VanDerWaalsContact O-CG 3.23Å; A364-N368 PolarHBondContact O-N 3.01Å; A364-N368 PolarHBondContact O-ND2 3.21Å
365N93.9Very high90.3Very high13 Ų1336.9 Ų36.97%0.0719%0.185CC..Hα-helixtrans-62-39.2175.2-179.853.2000112.2L232 C342 Q344 F345 A361 F362 K369L232-N365 HydrophobicContact CD2-CB 4.49Å; C342-N365 PolarHBondContact O-ND2 3.37Å; Q344-N365 PolarHBondContact OE1-OD1 2.88Å; F345-N365 HydrophobicContact CD2-CB 4.26Å; F345-N365 HydrophobicContact CE2-CB 3.99Å; A361-N365 WeakPolarHBondContact O-CB 3.47Å; A361-N365 PolarHBondContact O-N 3.45Å; F362-N365 PolarHBondContact O-N 3.18Å; N365-K369 PolarHBondContact O-N 2.88Å
366L94.5Very high89.2Confident1 Ų137.5 Ų37.51%0.00519%0.191CC..Hα-helixtrans-64.9-46175.7-173.861.3000111.3W269 I298 L299 V302 L340 C342 F362 V363 A364 K369 Y370W269-L366 HydrophobicContact CH2-CB 4.42Å; W269-L366 HydrophobicContact CH2-CD2 4.03Å; W269-L366 HydrophobicContact CH2-CG 4Å; I298-L366 HydrophobicContact CG2-CD2 3.8Å; L299-L366 HydrophobicContact CD2-CD1 4Å; L299-L366 HydrophobicContact CD2-CD2 3.91Å; V302-L366 HydrophobicContact CG2-CD1 3.91Å; V302-L366 HydrophobicContact CG2-CD2 4.18Å; V302-L366 HydrophobicContact CG2-CG 4.14Å; L340-L366 HydrophobicContact CD1-CD1 4.12Å; C342-L366 HydrophobicContact CB-CD1 4.05Å; F362-L366 WeakPolarHBondContact O-CB 3.45Å; F362-L366 PolarHBondContact O-N 3.47Å; V363-L366 PolarHBondContact O-N 3.12Å; A364-L366 VanDerWaalsContact C-N 3.31Å; A364-L366 PolarHBondContact O-N 3.38Å; L366-K369 PolarHBondContact O-N 2.85Å; L366-Y370 HydrophobicContact CD1-CD2 4.28Å; L366-Y370 PolarHBondContact O-N 3.46Å
367F94.7Very high87.8Confident1 Ų143 Ų430%0.00421%0.21CC..Hα-helixtrans-59.1-49175.5172.3-94000111.8I236 N241 L244 L266 W269 V363 A364 K369 Y370 P371 L373I236-F367 HydrophobicContact CB-CE1 4.27Å; I236-F367 HydrophobicContact CD1-CD1 4.14Å; I236-F367 HydrophobicContact CG1-CD1 3.75Å; I236-F367 HydrophobicContact CG1-CE1 3.85Å; I236-F367 HydrophobicContact CG2-CD1 4.48Å; I236-F367 HydrophobicContact CG2-CE1 4.23Å; N241-F367 WeakPolarHBondContact ND2-CZ 3.45Å; L244-F367 HydrophobicContact CD1-CZ 4.16Å; L244-F367 HydrophobicContact CD2-CE2 3.6Å; L244-F367 HydrophobicContact CD2-CZ 3.5Å; L244-F367 VanDerWaalsContact CD2-CZ 3.5Å; L244-F367 HydrophobicContact CG-CE2 4.41Å; L244-F367 HydrophobicContact CG-CZ 3.9Å; L266-F367 HydrophobicContact CD2-CB 3.6Å; L266-F367 HydrophobicContact CD2-CD1 4.28Å; L266-F367 HydrophobicContact CD2-CD2 4.37Å; L266-F367 HydrophobicContact CD2-CG 3.82Å; W269-F367 HydrophobicContact CB-CD2 4.47Å; W269-F367 AromaticContact CD1-CD2 3.58Å; W269-F367 AromaticContact CD1-CE2 3.79Å; W269-F367 HydrophobicContact CD2-CB 4.39Å; W269-F367 AromaticContact CD2-CD2 3.77Å; W269-F367 HydrophobicContact CD2-CD2 3.77Å; W269-F367 AromaticContact CE2-CD2 3.68Å; W269-F367 HydrophobicContact CE3-CB 4.42Å; W269-F367 AromaticContact CG-CD2 3.69Å; W269-F367 HydrophobicContact CG-CD2 3.69Å; W269-F367 HydrophobicContact CG-CE2 4.17Å; W269-F367 HydrophobicContact CH2-CB 4.37Å; W269-F367 HydrophobicContact CZ2-CB 4.3Å; W269-F367 HydrophobicContact CZ2-CD2 4.36Å; W269-F367 HydrophobicContact CZ3-CB 4.44Å; W269-F367 AromaticContact NE1-CD2 3.53Å; V363-F367 PolarHBondContact O-N 3.35Å; A364-F367 PolarHBondContact O-N 3.21Å; F367-K369 PolarHBondContact O-N 3.08Å; F367-Y370 CarbonylContact O-C 3.35Å; F367-Y370 PolarHBondContact O-N 3.2Å; F367-P371 HydrophobicContact CD2-CB 4.35Å; F367-P371 HydrophobicContact CE2-CB 4.02Å; F367-P371 HydrophobicContact CZ-CB 4.44Å; F367-P371 WeakPolarHBondContact O-CD 3.07Å; F367-P371 WeakPolarHBondContact O-CG 3.32Å; F367-L373 HydrophobicContact CE2-CD1 4.46Å
368N91.8Very high86.2Confident56 Ų5646.8 Ų46.830%0.29923%0.233SC..Hα-helixtrans-61.6-29.3-177.7-69.9-15.4000112.7L232 A364L232-N368 PolarHBondContact O-ND2 2.98Å; A364-N368 WeakPolarHBondContact O-CB 3.46Å; A364-N368 VanDerWaalsContact O-CG 3.23Å; A364-N368 PolarHBondContact O-N 3.01Å; A364-N368 PolarHBondContact O-ND2 3.21Å
369K90.5Very high84.6Confident93 Ų9351 Ų5140%0.40425%0.253SS..Hα-helixtrans-89.2-39.6177.2-72.4-173.4170.3-1590113.6G341 N365 L366 F367G341-K369 PolarHBondContact O-NZ 3.3Å; N365-K369 PolarHBondContact O-N 2.88Å; L366-K369 PolarHBondContact O-N 2.85Å; F367-K369 PolarHBondContact O-N 3.08Å
370Y91.6Very high82.8Confident53 Ų5359.8 Ų59.821%0.20830%0.3CS..  trans-137.876.6-175.2-56.3-83.1000110.3P304 L340 L366 F367 A372P304-Y370 HydrophobicContact CG-CD1 3.97Å; P304-Y370 HydrophobicContact CG-CE1 3.64Å; L340-Y370 HydrophobicContact CB-CD2 4.36Å; L340-Y370 HydrophobicContact CB-CE2 3.69Å; L340-Y370 HydrophobicContact CD2-CE1 4.49Å; L340-Y370 HydrophobicContact CD2-CE2 4.25Å; L340-Y370 HydrophobicContact CG-CE2 4.42Å; L340-Y370 VanDerWaalsContact O-CE2 3.3Å; L340-Y370 WeakPolarHBondContact O-CE2 3.44Å; L340-Y370 PolarHBondContact O-OH 3.46Å; L340-Y370 VanDerWaalsContact O-OH 3.06Å; L366-Y370 HydrophobicContact CD1-CD2 4.28Å; L366-Y370 PolarHBondContact O-N 3.46Å; F367-Y370 CarbonylContact O-C 3.35Å; F367-Y370 PolarHBondContact O-N 3.2Å; Y370-A372 PolarHBondContact O-N 3.39Å
371P90.9Very high81.4Confident33 Ų3360.1 Ų60.121%0.21430%0.302CS..  trans-60.3-38174.3-21.430.6000111.6W269 H273 F367 L373W269-P371 PolarHBondContact NE1-O 3.27Å; H273-P371 PolarHBondContact NE2-O 3.5Å; H273-P371 VanDerWaalsContact NE2-O 3.13Å; F367-P371 HydrophobicContact CD2-CB 4.35Å; F367-P371 HydrophobicContact CE2-CB 4.02Å; F367-P371 HydrophobicContact CZ-CB 4.44Å; F367-P371 WeakPolarHBondContact O-CD 3.07Å; F367-P371 WeakPolarHBondContact O-CG 3.32Å; P371-L373 PolarHBondContact O-N 2.94Å; P371-L373 VanDerWaalsContact O-N 3.13Å
372A89.9Confident79.9Confident45 Ų4564.8 Ų64.837%0.37233%0.327SS..  trans50.934.1-179.500000113.8H273 V302 Y370H273-A372 PolarHBondContact CE1-O 3.47Å; H273-A372 VanDerWaalsContact CE1-O 3.31Å; V302-A372 HydrophobicContact CB-CB 4.08Å; V302-A372 HydrophobicContact CG1-CB 4.21Å; Y370-A372 PolarHBondContact O-N 3.39Å
373L87.7Confident78.3Confident20 Ų2069.6 Ų69.611%0.10535%0.345CS..PPolyproline II helixtrans-102.2133.2176.5-64.3179.2000109.3A243 L244 A246 L247 Y272 F367 P371A243-L373 HydrophobicContact CB-CB 3.75Å; A243-L373 HydrophobicContact CB-CD1 4.48Å; A243-L373 VanDerWaalsContact O-CD1 3.27Å; A243-L373 WeakPolarHBondContact O-CD1 3.41Å; L244-L373 HydrophobicContact CD2-CD1 4.13Å; A246-L373 HydrophobicContact CB-CB 4.31Å; A246-L373 HydrophobicContact CB-CD2 4.44Å; L247-L373 HydrophobicContact CD1-CD1 4.45Å; L247-L373 HydrophobicContact CD2-CD1 4.23Å; L247-L373 HydrophobicContact CD2-CD2 3.92Å; L247-L373 HydrophobicContact CG-CD1 4.13Å; Y272-L373 HydrophobicContact CD1-CD2 3.6Å; Y272-L373 HydrophobicContact CE1-CD2 3.55Å; Y272-L373 HydrophobicContact CG-CD2 4.34Å; F367-L373 HydrophobicContact CE2-CD1 4.46Å; P371-L373 PolarHBondContact O-N 2.94Å; P371-L373 VanDerWaalsContact O-N 3.13Å
374K77.5Confident76.4Confident164 Ų16473.5 Ų73.571%0.71337%0.372SS*.PPolyproline II helixtrans-94.5129.8173.5-66.3-175.5179.7-176.90109.2A246A246-K374 WeakPolarHBondContact CB-O 3.14Å
375K69.1Low74.6Confident101 Ų10176.2 Ų76.244%0.43939%0.391SS..PPolyproline II helixtrans-59.8126.4174.4-175169.2179.5156.80108.8E242 E377 W383E242-K375 IonicContact OE2-NZ 3.16Å; E242-K375 PolarHBondContact OE2-NZ 3.11Å; K375-E377 PolarHBondContact O-N 2.78Å; K375-W383 HydrophobicContact CD-CH2 4.46Å
376P67.8Low73.1Confident41 Ų4176.7 Ų76.727%0.26639%0.393SS..PPolyproline II helixtrans-64.6124.4175.722.3-28.8000109.7I245 N378I245-P376 HydrophobicContact CG2-CG 4.03Å; P376-N378 VanDerWaalsContact C-N 3.28Å; P376-N378 PolarHBondContact O-N 3.24Å
377E59.3Low71.7Confident189 Ų18982.3 Ų82.388%0.88342%0.42SS*.SBendtrans-71.6-18.9-175.6-67.8-178.3167.700113.4K375K375-E377 PolarHBondContact O-N 2.78Å
378N53.4Low70.5Confident152 Ų15283.9 Ų83.981%0.81344%0.437SS*.  trans-13766.9-168.6-73.3-35.9000113.2P376P376-N378 VanDerWaalsContact C-N 3.28Å; P376-N378 PolarHBondContact O-N 3.24Å
379Q58.2Low70Confident89 Ų8983.5 Ų83.542%0.41643%0.433SS..  trans-129.8128.5158.1-66.1-175.7100107.9I381Q379-I381 HydrophobicContact CB-CD1 3.75Å; Q379-I381 HydrophobicContact CB-CG1 3.57Å; Q379-I381 PolarHBondContact O-N 3.31Å
380D56.4Low69.8Low185 Ų18581.9 Ų81.999%0.98943%0.431SS*.  trans-66.862.1167.3-72.6-39000109.1
381I63.3Low69.4Low25 Ų2583.5 Ų83.513%0.12844%0.437CS..  trans-79.7123.5175.9-63.9167.1000106.8I245 L254 Q379 W383 I386I245-I381 HydrophobicContact CD1-CD1 4.3Å; I245-I381 HydrophobicContact CG2-CD1 3.38Å; L254-I381 HydrophobicContact CD2-CG2 3.82Å; Q379-I381 HydrophobicContact CB-CD1 3.75Å; Q379-I381 HydrophobicContact CB-CG1 3.57Å; Q379-I381 PolarHBondContact O-N 3.31Å; I381-W383 VanDerWaalsContact C-N 3.32Å; I381-W383 HydrophobicContact CB-CZ2 4.41Å; I381-W383 PolarHBondContact O-N 3.08Å; I381-W383 PolarHBondContact O-NE1 3.17Å; I381-I386 HydrophobicContact CG2-CD1 4.27Å
382D61.6Low69.2Low98 Ų9885.5 Ų85.552%0.52444%0.443SS..  trans-7091.4169.9-176.86.3000109.5S384 S385D382-S384 VanDerWaalsContact CG-OG 3.24Å; D382-S384 PolarHBondContact O-N 3.45Å; D382-S384 VanDerWaalsContact O-N 3.08Å; D382-S384 WeakPolarHBondContact OD1-CB 3.35Å; D382-S384 PolarHBondContact OD1-N 3.12Å; D382-S384 VanDerWaalsContact OD1-N 3.09Å; D382-S384 PolarHBondContact OD1-OG 3.3Å; D382-S384 PolarHBondContact OD2-OG 2.82Å; D382-S385 WeakPolarHBondContact O-CB 3.18Å; D382-S385 PolarHBondContact O-N 3.23Å; D382-S385 PolarHBondContact O-OG 2.99Å
383W61.1Low69.1Low102 Ų10284 Ų8439%0.38643%0.428SS..G310 helixtrans-56.7-22177.7-61.696.3000113E242 I245 K375 I381 S385 I386E242-W383 HydrophobicContact CB-CZ3 4.27Å; E242-W383 HydrophobicContact CG-CZ3 4.07Å; E242-W383 WeakPolarHBondContact OE2-CZ3 3.47Å; I245-W383 HydrophobicContact CD1-CH2 3.56Å; I245-W383 HydrophobicContact CD1-CZ3 3.49Å; I245-W383 VanDerWaalsContact CD1-CZ3 3.49Å; K375-W383 HydrophobicContact CD-CH2 4.46Å; I381-W383 VanDerWaalsContact C-N 3.32Å; I381-W383 HydrophobicContact CB-CZ2 4.41Å; I381-W383 PolarHBondContact O-N 3.08Å; I381-W383 PolarHBondContact O-NE1 3.17Å; W383-S385 PolarHBondContact O-N 3.31Å; W383-I386 HydrophobicContact CE3-CD1 3.74Å; W383-I386 HydrophobicContact CZ3-CD1 3.91Å; W383-I386 PolarHBondContact O-N 2.94Å
384S56.3Low69.2Low83 Ų8386.7 Ų86.758%0.5844%0.437SS*.G310 helixtrans-71.6-17175.777.40000113.4D382 I386D382-S384 VanDerWaalsContact CG-OG 3.24Å; D382-S384 PolarHBondContact O-N 3.45Å; D382-S384 VanDerWaalsContact O-N 3.08Å; D382-S384 WeakPolarHBondContact OD1-CB 3.35Å; D382-S384 PolarHBondContact OD1-N 3.12Å; D382-S384 VanDerWaalsContact OD1-N 3.09Å; D382-S384 PolarHBondContact OD1-OG 3.3Å; D382-S384 PolarHBondContact OD2-OG 2.82Å; S384-I386 VanDerWaalsContact C-N 3.32Å
385S58.1Low69.8Low56 Ų5679.2 Ų79.239%0.39241%0.405SS..G310 helixtrans-79.2-14.3173.970.20000113.7D382 W383 E387D382-S385 WeakPolarHBondContact O-CB 3.18Å; D382-S385 PolarHBondContact O-N 3.23Å; D382-S385 PolarHBondContact O-OG 2.99Å; W383-S385 PolarHBondContact O-N 3.31Å; S385-E387 PolarHBondContact O-N 3.44Å
386I62.5Low71Confident23 Ų2374.4 Ų74.412%0.11838%0.384CS..  trans-9145.1176.6-42.1-179.9000109.6I238 I245 L254 I381 W383 S384 G388I238-I386 HydrophobicContact CG2-CD1 4.48Å; I238-I386 HydrophobicContact CG2-CG2 4.11Å; I245-I386 HydrophobicContact CD1-CD1 3.85Å; L254-I386 HydrophobicContact CD2-CD1 3.97Å; L254-I386 HydrophobicContact CD2-CG1 3.86Å; I381-I386 HydrophobicContact CG2-CD1 4.27Å; W383-I386 HydrophobicContact CE3-CD1 3.74Å; W383-I386 HydrophobicContact CZ3-CD1 3.91Å; W383-I386 PolarHBondContact O-N 2.94Å; S384-I386 VanDerWaalsContact C-N 3.32Å; I386-G388 PolarHBondContact O-N 2.89Å
387E65.1Low72.3Confident119 Ų11974.7 Ų74.756%0.55638%0.38SS*.PPolyproline II helixtrans-67.7118.8166.5-79.7-176.8164.800108.4S385 R484S385-E387 PolarHBondContact O-N 3.44Å; E387-R484 IonicContact OE2-NH1 3.6Å; E387-R484 PolarHBondContact OE2-NH1 3.28Å
388G68.4Low73.8Confident35 Ų3566.7 Ų66.736%0.36134%0.343SS..PPolyproline II helixtrans-62.4163.5172.600000112.3I386 T390I386-G388 PolarHBondContact O-N 2.89Å; G388-T390 PolarHBondContact O-N 3.48Å
389E81.4Confident75.8Confident47 Ų4759.5 Ų59.522%0.2231%0.305CS..PPolyproline II helixtrans-53.7129.3178.7-173.2-176.2-140.600111.7E393 R394 R397E389-E393 WeakPolarHBondContact CA-OE2 3.44Å; E389-E393 HydrophobicContact CG-CB 3.48Å; E389-E393 VanDerWaalsContact CG-CB 3.48Å; E389-R394 HydrophobicContact CG-CB 4.19Å; E389-R394 VanDerWaalsContact OE1-CA 3.27Å; E389-R394 WeakPolarHBondContact OE1-CA 3.02Å; E389-R394 PolarHBondContact OE1-N 2.87Å; E389-R394 WeakPolarHBondContact OE2-CA 3.23Å; E389-R394 VanDerWaalsContact OE2-CB 3.22Å; E389-R394 WeakPolarHBondContact OE2-CB 3.14Å; E389-R394 WeakPolarHBondContact OE2-CG 3.37Å; E389-R397 WeakPolarHBondContact OE1-CD 3.33Å; E389-R397 IonicContact OE1-CZ 2.67Å; E389-R397 IonicContact OE1-NE 3.96Å; E389-R397 PolarHBondContact OE1-NE 3.31Å; E389-R397 IonicContact OE1-NH2 3.44Å; E389-R397 IonicContact OE2-CZ 2.72Å; E389-R397 IonicContact OE2-NE 3.86Å; E389-R397 PolarHBondContact OE2-NE 2.91Å; E389-R397 IonicContact OE2-NH2 3.62Å; E389-R397 PolarHBondContact OE2-NH2 3Å
390T86Confident77.5Confident59 Ų5955.3 Ų55.336%0.36229%0.285SS..PPolyproline II helixtrans-70.8159.6175.468.30000111.5G388 E392 E393 R394G388-T390 PolarHBondContact O-N 3.48Å; T390-E392 PolarHBondContact O-N 3.18Å; T390-E393 WeakPolarHBondContact CG2-OE1 3.38Å; T390-E393 PolarHBondContact N-OE2 2.89Å; T390-E393 PolarHBondContact O-N 3.35Å; T390-E393 WeakPolarHBondContact OG1-CG 3.49Å; T390-E393 PolarHBondContact OG1-N 2.93Å; T390-E393 PolarHBondContact OG1-OE1 3.46Å; T390-E393 VanDerWaalsContact OG1-OE1 3.05Å; T390-R394 PolarHBondContact O-N 3.37Å
391R83.7Confident79.3Confident88 Ų8846.7 Ų46.733%0.33224%0.239SC..Hα-helixtrans-56.7-38.4176.7-70.3-177-60.1-170.43.5113T395 L595 E601R391-T395 WeakPolarHBondContact O-CB 3.13Å; R391-T395 PolarHBondContact O-N 3.43Å; R391-T395 VanDerWaalsContact O-N 3.11Å; R391-T395 PolarHBondContact O-OG1 3.19Å; R391-L595 HydrophobicContact CB-CD1 3.9Å; R391-L595 HydrophobicContact CG-CD1 4.05Å; R391-E601 IonicContact CZ-OE1 2.72Å; R391-E601 IonicContact NH1-OE1 3.8Å; R391-E601 PolarHBondContact NH1-OE1 3.42Å; R391-E601 IonicContact NH2-OE1 2.87Å; R391-E601 PolarHBondContact NH2-OE1 2.91Å; R391-E601 IonicContact NH2-OE2 2.73Å; R391-E601 PolarHBondContact NH2-OE2 3.06Å
392E85.6Confident80.6Confident74 Ų7445.6 Ų45.635%0.34623%0.233SC..Hα-helixtrans-68.7-44.1178.6-175.8173.1-156.400110.7T390 R394 T395 F396 L488 K605T390-E392 PolarHBondContact O-N 3.18Å; E392-R394 PolarHBondContact O-N 2.89Å; E392-T395 WeakPolarHBondContact O-CB 3.37Å; E392-T395 PolarHBondContact O-N 3.36Å; E392-F396 HydrophobicContact CG-CD2 3.91Å; E392-F396 HydrophobicContact CG-CE2 3.41Å; E392-F396 VanDerWaalsContact CG-CE2 3.41Å; E392-F396 HydrophobicContact CG-CZ 4.29Å; E392-F396 VanDerWaalsContact O-CD2 3.23Å; E392-F396 WeakPolarHBondContact O-CD2 3.47Å; E392-F396 PolarHBondContact O-N 3.4Å; E392-L488 HydrophobicContact CG-CD2 4.44Å; E392-K605 IonicContact OE1-NZ 3.1Å
393E89.8Confident82Confident13 Ų1341.1 Ų41.16%0.06121%0.21CC..Hα-helixtrans-57.9-48.9175-73.6157.8-151.100111.9E389 T390 T395 F396 R397 L412 Y413 L488E389-E393 WeakPolarHBondContact CA-OE2 3.44Å; E389-E393 HydrophobicContact CG-CB 3.48Å; E389-E393 VanDerWaalsContact CG-CB 3.48Å; T390-E393 WeakPolarHBondContact CG2-OE1 3.38Å; T390-E393 PolarHBondContact N-OE2 2.89Å; T390-E393 PolarHBondContact O-N 3.35Å; T390-E393 WeakPolarHBondContact OG1-CG 3.49Å; T390-E393 PolarHBondContact OG1-N 2.93Å; T390-E393 PolarHBondContact OG1-OE1 3.46Å; T390-E393 VanDerWaalsContact OG1-OE1 3.05Å; E393-T395 VanDerWaalsContact C-N 3.27Å; E393-T395 PolarHBondContact O-N 3.06Å; E393-F396 PolarHBondContact O-N 3.5Å; E393-R397 WeakPolarHBondContact O-CB 3.49Å; E393-R397 PolarHBondContact O-N 2.99Å; E393-L412 HydrophobicContact CB-CD2 4.08Å; E393-L412 HydrophobicContact CG-CD2 3.97Å; E393-Y413 HydrophobicContact CG-CE2 4.16Å; E393-Y413 VanDerWaalsContact CG-OH 3.31Å; E393-Y413 WeakPolarHBondContact CG-OH 3.49Å; E393-Y413 PolarHBondContact OE1-OH 3.44Å; E393-L488 HydrophobicContact CG-CD1 4.49Å; E393-L488 HydrophobicContact CG-CD2 4.05Å
394R88.8Confident83.3Confident78 Ų7837.8 Ų37.829%0.29421%0.206SC..Hα-helixtrans-57.7-41.2177.4-172.6169.566.6-149.14.9112.5E389 T390 E392 R397 N398E389-R394 HydrophobicContact CG-CB 4.19Å; E389-R394 VanDerWaalsContact OE1-CA 3.27Å; E389-R394 WeakPolarHBondContact OE1-CA 3.02Å; E389-R394 PolarHBondContact OE1-N 2.87Å; E389-R394 WeakPolarHBondContact OE2-CA 3.23Å; E389-R394 VanDerWaalsContact OE2-CB 3.22Å; E389-R394 WeakPolarHBondContact OE2-CB 3.14Å; E389-R394 WeakPolarHBondContact OE2-CG 3.37Å; T390-R394 PolarHBondContact O-N 3.37Å; E392-R394 PolarHBondContact O-N 2.89Å; R394-R397 PolarHBondContact O-N 3.3Å; R394-N398 WeakPolarHBondContact O-CB 3.16Å; R394-N398 VanDerWaalsContact O-CG 3.28Å; R394-N398 PolarHBondContact O-N 3.3Å
395T90.7Very high85Confident6 Ų634.4 Ų34.44%0.03718%0.182CC..Hα-helixtrans-63.7-46.3179.1-610000111.1R391 E392 E393 W399 M606R391-T395 WeakPolarHBondContact O-CB 3.13Å; R391-T395 PolarHBondContact O-N 3.43Å; R391-T395 VanDerWaalsContact O-N 3.11Å; R391-T395 PolarHBondContact O-OG1 3.19Å; E392-T395 WeakPolarHBondContact O-CB 3.37Å; E392-T395 PolarHBondContact O-N 3.36Å; E393-T395 VanDerWaalsContact C-N 3.27Å; E393-T395 PolarHBondContact O-N 3.06Å; T395-W399 VanDerWaalsContact O-CB 3.3Å; T395-W399 WeakPolarHBondContact O-CB 3.3Å; T395-W399 PolarHBondContact O-N 3.27Å; T395-M606 HydrophobicContact CG2-CE 3.57Å; T395-M606 HydrophobicContact CG2-SD 4.4Å
396F94.1Very high86.4Confident1 Ų137.5 Ų37.50%0.00420%0.195CC..Hα-helixtrans-65.6-43.3176.6-71.7-54.8000112.2E392 E393 N398 W399 M400 L488 L491 W492 M495E392-F396 HydrophobicContact CG-CD2 3.91Å; E392-F396 HydrophobicContact CG-CE2 3.41Å; E392-F396 VanDerWaalsContact CG-CE2 3.41Å; E392-F396 HydrophobicContact CG-CZ 4.29Å; E392-F396 VanDerWaalsContact O-CD2 3.23Å; E392-F396 WeakPolarHBondContact O-CD2 3.47Å; E392-F396 PolarHBondContact O-N 3.4Å; E393-F396 PolarHBondContact O-N 3.5Å; F396-N398 PolarHBondContact O-N 3.1Å; F396-W399 HydrophobicContact CD1-CE3 4.27Å; F396-W399 PolarHBondContact O-N 3.18Å; F396-M400 WeakPolarHBondContact O-CB 3.45Å; F396-M400 WeakPolarHBondContact O-CG 3.38Å; F396-M400 PolarHBondContact O-N 3.48Å; F396-L488 HydrophobicContact CD2-CD2 3.51Å; F396-L488 HydrophobicContact CE2-CB 4.48Å; F396-L488 HydrophobicContact CE2-CD2 3.8Å; F396-L491 HydrophobicContact CB-CD1 4.19Å; F396-L491 HydrophobicContact CD1-CB 3.96Å; F396-L491 HydrophobicContact CD2-CB 4.3Å; F396-L491 HydrophobicContact CE1-CB 4.21Å; F396-L491 HydrophobicContact CE2-CB 4.48Å; F396-L491 HydrophobicContact CG-CB 4.03Å; F396-L491 HydrophobicContact CG-CD1 4.36Å; F396-L491 HydrophobicContact CZ-CB 4.47Å; F396-W492 HydrophobicContact CE1-CB 4.39Å; F396-W492 HydrophobicContact CZ-CB 3.84Å; F396-W492 HydrophobicContact CZ-CE3 4.46Å; F396-M495 HydrophobicContact CD1-SD 4.11Å; F396-M495 HydrophobicContact CE1-CB 4.14Å; F396-M495 HydrophobicContact CE1-SD 3.79Å
397R93.8Very high87.7Confident47 Ų4739.7 Ų39.718%0.17721%0.21CC..Hα-helixtrans-58-49.2176.2179.6175.261.398.9-4.2111.8E389 E393 R394 M400 N401 V409 N410E389-R397 WeakPolarHBondContact OE1-CD 3.33Å; E389-R397 IonicContact OE1-CZ 2.67Å; E389-R397 IonicContact OE1-NE 3.96Å; E389-R397 PolarHBondContact OE1-NE 3.31Å; E389-R397 IonicContact OE1-NH2 3.44Å; E389-R397 IonicContact OE2-CZ 2.72Å; E389-R397 IonicContact OE2-NE 3.86Å; E389-R397 PolarHBondContact OE2-NE 2.91Å; E389-R397 IonicContact OE2-NH2 3.62Å; E389-R397 PolarHBondContact OE2-NH2 3Å; E393-R397 WeakPolarHBondContact O-CB 3.49Å; E393-R397 PolarHBondContact O-N 2.99Å; R394-R397 PolarHBondContact O-N 3.3Å; R397-M400 PolarHBondContact O-N 3.04Å; R397-N401 WeakPolarHBondContact O-CB 3.45Å; R397-N401 PolarHBondContact O-N 3.43Å; R397-N401 PolarHBondContact O-ND2 3.15Å; R397-V409 WeakPolarHBondContact CD-O 3.41Å; R397-V409 HydrophobicContact CG-CB 4.31Å; R397-V409 HydrophobicContact CG-CG1 4.06Å; R397-V409 VanDerWaalsContact CG-O 3.3Å; R397-V409 WeakPolarHBondContact CG-O 3.39Å; R397-N410 WeakPolarHBondContact CD-O 3.45Å
398N92.6Very high88.8Confident21 Ų2137.8 Ų37.811%0.11220%0.198CC..Hα-helixtrans-63.6-43178.3-73.2-5.4000111.9A199 I200 G201 R394 F396 N401 S402A199-N398 VanDerWaalsContact O-CB 3.3Å; A199-N398 WeakPolarHBondContact O-CB 3.33Å; A199-N398 PolarHBondContact O-ND2 3.45Å; I200-N398 PolarHBondContact O-OD1 2.67Å; G201-N398 WeakPolarHBondContact CA-O 3.37Å; R394-N398 WeakPolarHBondContact O-CB 3.16Å; R394-N398 VanDerWaalsContact O-CG 3.28Å; R394-N398 PolarHBondContact O-N 3.3Å; F396-N398 PolarHBondContact O-N 3.1Å; N398-N401 PolarHBondContact O-N 3.13Å; N398-S402 WeakPolarHBondContact O-CB 3.42Å; N398-S402 PolarHBondContact O-N 3.41Å
399W94.1Very high90Very high1 Ų136.1 Ų36.10%0.00418%0.181CC..Hα-helixtrans-57.4-50.8174.5168.863.9000111.3T395 F396 N401 S402 L403 L425 L494 M495 Y498 Y593T395-W399 VanDerWaalsContact O-CB 3.3Å; T395-W399 WeakPolarHBondContact O-CB 3.3Å; T395-W399 PolarHBondContact O-N 3.27Å; F396-W399 HydrophobicContact CD1-CE3 4.27Å; F396-W399 PolarHBondContact O-N 3.18Å; W399-N401 PolarHBondContact O-N 3.44Å; W399-S402 PolarHBondContact O-N 3.19Å; W399-S402 PolarHBondContact O-OG 3.41Å; W399-L403 HydrophobicContact CD2-CD1 4.47Å; W399-L403 HydrophobicContact CZ2-CD1 3.75Å; W399-L403 WeakPolarHBondContact O-CG 3.16Å; W399-L403 PolarHBondContact O-N 2.79Å; W399-L425 HydrophobicContact CH2-CD1 4.42Å; W399-L425 HydrophobicContact CH2-CD2 4.25Å; W399-L425 HydrophobicContact CZ3-CD1 4.24Å; W399-L425 HydrophobicContact CZ3-CD2 4.49Å; W399-L494 HydrophobicContact CH2-CB 3.86Å; W399-L494 HydrophobicContact CZ3-CB 4.37Å; W399-M495 HydrophobicContact CD2-CB 4.16Å; W399-M495 HydrophobicContact CD2-CG 3.98Å; W399-M495 HydrophobicContact CE3-CB 4.08Å; W399-M495 HydrophobicContact CE3-CG 4.34Å; W399-M495 HydrophobicContact CG-CG 4.36Å; W399-M495 HydrophobicContact CH2-CB 3.94Å; W399-M495 HydrophobicContact CZ2-CB 4Å; W399-M495 HydrophobicContact CZ2-CG 4.31Å; W399-M495 HydrophobicContact CZ3-CB 3.97Å; W399-Y498 HydrophobicContact CZ2-CD1 4.39Å; W399-Y498 HydrophobicContact CZ2-CG 4.14Å; W399-Y498 AromaticContact NE1-CD1 3.62Å; W399-Y498 AromaticContact NE1-CE1 3.95Å; W399-Y593 HydrophobicContact CB-CD1 4.16Å; W399-Y593 HydrophobicContact CB-CE1 4.37Å; W399-Y593 HydrophobicContact CB-CG 4.37Å; W399-Y593 AromaticContact CD1-CE2 3.78Å; W399-Y593 AromaticContact CD1-CZ 3.95Å
400M94.8Very high90.3Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-60.4-48.3179.2-67.7164.264.200112F396 R397 S402 L403 V405 V409 L412 I416 V421 L425 L491F396-M400 WeakPolarHBondContact O-CB 3.45Å; F396-M400 WeakPolarHBondContact O-CG 3.38Å; F396-M400 PolarHBondContact O-N 3.48Å; R397-M400 PolarHBondContact O-N 3.04Å; M400-S402 VanDerWaalsContact C-N 3.29Å; M400-S402 PolarHBondContact O-N 3.49Å; M400-L403 WeakPolarHBondContact O-CB 3.47Å; M400-L403 PolarHBondContact O-N 3.24Å; M400-L403 VanDerWaalsContact O-N 3.12Å; M400-V405 HydrophobicContact CB-CG2 4.32Å; M400-V405 WeakPolarHBondContact O-CG2 3.45Å; M400-V409 HydrophobicContact CE-CG2 3.77Å; M400-L412 HydrophobicContact CE-CD1 4.38Å; M400-L412 HydrophobicContact SD-CD1 3.83Å; M400-I416 HydrophobicContact CE-CG2 3.68Å; M400-V421 HydrophobicContact CE-CB 4.42Å; M400-V421 HydrophobicContact CE-CG1 3.33Å; M400-L425 HydrophobicContact CE-CD1 3.97Å; M400-L425 HydrophobicContact CG-CD1 3.85Å; M400-L425 HydrophobicContact CG-CD2 4.18Å; M400-L425 HydrophobicContact SD-CD1 4.27Å; M400-L491 HydrophobicContact CE-CD2 4.32Å; M400-L491 HydrophobicContact SD-CD1 4.38Å; M400-L491 HydrophobicContact SD-CD2 3.78Å
401N93.6Very high90.3Very high5 Ų535 Ų353%0.02717%0.172CC..Hα-helixtrans-62.5-36.3179-75.2-33.2000112.3R397 N398 W399 L403 G404 R408 V409R397-N401 WeakPolarHBondContact O-CB 3.45Å; R397-N401 PolarHBondContact O-N 3.43Å; R397-N401 PolarHBondContact O-ND2 3.15Å; N398-N401 PolarHBondContact O-N 3.13Å; W399-N401 PolarHBondContact O-N 3.44Å; N401-L403 PolarHBondContact O-N 3.29Å; N401-G404 PolarHBondContact O-N 2.99Å; N401-R408 WeakPolarHBondContact OD1-CG 3.46Å; N401-V409 PolarHBondContact ND2-O 2.94Å; N401-V409 PolarHBondContact OD1-N 3.39Å
402S90.9Very high90.7Very high1 Ų131.1 Ų31.11%0.00716%0.158CC..Hα-helixtrans-63.1-30.5176.579.40000113S198 C202 H203 N398 W399 M400 G404 Y593S198-S402 WeakPolarHBondContact O-CB 3.39Å; S198-S402 WeakPolarHBondContact OG-CB 3.32Å; C202-S402 WeakPolarHBondContact O-CA 3.46Å; H203-S402 PolarHBondContact ND1-O 3.31Å; H203-S402 VanDerWaalsContact ND1-O 3.1Å; N398-S402 WeakPolarHBondContact O-CB 3.42Å; N398-S402 PolarHBondContact O-N 3.41Å; W399-S402 PolarHBondContact O-N 3.19Å; W399-S402 PolarHBondContact O-OG 3.41Å; M400-S402 VanDerWaalsContact C-N 3.29Å; M400-S402 PolarHBondContact O-N 3.49Å; S402-G404 PolarHBondContact O-N 3.45Å; S402-Y593 PolarHBondContact OG-OH 3.08Å
403L90Very high90.9Very high5 Ų529.3 Ų29.33%0.02615%0.149CC..THydrogen-bonded Turntrans-74.7-6.5175.7-62.4179.1000113.4W399 M400 N401 L425 K428 Y498W399-L403 HydrophobicContact CD2-CD1 4.47Å; W399-L403 HydrophobicContact CZ2-CD1 3.75Å; W399-L403 WeakPolarHBondContact O-CG 3.16Å; W399-L403 PolarHBondContact O-N 2.79Å; M400-L403 WeakPolarHBondContact O-CB 3.47Å; M400-L403 PolarHBondContact O-N 3.24Å; M400-L403 VanDerWaalsContact O-N 3.12Å; N401-L403 PolarHBondContact O-N 3.29Å; L403-L425 HydrophobicContact CD1-CD2 3.75Å; L403-K428 HydrophobicContact CB-CG 4.49Å; L403-K428 HydrophobicContact CD1-CB 4.47Å; L403-K428 HydrophobicContact CD1-CG 4.45Å; L403-K428 VanDerWaalsContact O-CE 3.32Å; L403-K428 WeakPolarHBondContact O-CE 3.37Å; L403-K428 PolarHBondContact O-NZ 3.03Å; L403-Y498 HydrophobicContact CD2-CE1 4.25Å; L403-Y498 HydrophobicContact CD2-CE2 3.87Å
404G89.1Confident90.9Very high31 Ų3129.9 Ų29.932%0.3216%0.156SC..THydrogen-bonded Turntrans76.539.5176.900000113.5H203 N401 S402H203-G404 WeakPolarHBondContact ND1-CA 3.37Å; H203-G404 PolarHBondContact ND1-N 3.16Å; N401-G404 PolarHBondContact O-N 2.99Å; S402-G404 PolarHBondContact O-N 3.45Å
405V91.8Very high91Very high12 Ų1228 Ų287%0.07315%0.152CC..  trans-66.6150.2173-61.50000111.3M400 P407 V409 V421 Q424 L425M400-V405 HydrophobicContact CB-CG2 4.32Å; M400-V405 WeakPolarHBondContact O-CG2 3.45Å; V405-P407 CarbonylContact C-O 3.53Å; V405-V409 HydrophobicContact CG2-CG2 4.05Å; V405-V421 HydrophobicContact CB-CG1 3.89Å; V405-V421 HydrophobicContact CG1-CG1 3.95Å; V405-V421 HydrophobicContact CG2-CG1 3.94Å; V405-Q424 HydrophobicContact CG1-CB 4.43Å; V405-L425 HydrophobicContact CG1-CD2 3.84Å; V405-L425 HydrophobicContact CG1-CG 4.35Å
406N87.9Confident91.2Very high122 Ų12227.9 Ų27.965%0.65215%0.151SC*.SBendtrans-133.9121.8179.3-178.532.5000110.5Q424N406-Q424 PolarHBondContact O-NE2 2.89Å; N406-Q424 PolarHBondContact O-OE1 2.81Å
407P89.2Confident91.1Very high68 Ų6829.4 Ų29.444%0.44216%0.159SC..SBendcis-67.7163.82.829.6-35.7000113.5V405V405-P407 CarbonylContact C-O 3.53Å
408R89.1Confident91.2Very high79 Ų7928.2 Ų28.230%0.29816%0.156SC..  trans-65.5135171.6-173.1-179.5-176.990.62108.4G201 N401 N410G201-R408 PolarHBondContact O-NH1 3.11Å; G201-R408 PolarHBondContact O-NH2 3.28Å; G201-R408 VanDerWaalsContact O-NH2 3.07Å; N401-R408 WeakPolarHBondContact OD1-CG 3.46Å; R408-N410 PolarHBondContact O-N 3.29Å
409V92.1Very high91.4Very high0 Ų027.2 Ų27.20%015%0.15CC..  trans-84.1112.3178.6-177.60000108.6R397 M400 N401 V405 L412 D415 I416 V421R397-V409 WeakPolarHBondContact CD-O 3.41Å; R397-V409 HydrophobicContact CG-CB 4.31Å; R397-V409 HydrophobicContact CG-CG1 4.06Å; R397-V409 VanDerWaalsContact CG-O 3.3Å; R397-V409 WeakPolarHBondContact CG-O 3.39Å; M400-V409 HydrophobicContact CE-CG2 3.77Å; N401-V409 PolarHBondContact ND2-O 2.94Å; N401-V409 PolarHBondContact OD1-N 3.39Å; V405-V409 HydrophobicContact CG2-CG2 4.05Å; V409-L412 HydrophobicContact CG1-CD1 4.2Å; V409-D415 HydrophobicContact CG1-CB 4.21Å; V409-I416 HydrophobicContact CG2-CG2 4.38Å; V409-V421 HydrophobicContact CG2-CG1 4Å; V409-V421 HydrophobicContact CG2-CG2 4.25Å
410N87.9Confident91.5Very high41 Ų4127.9 Ų27.922%0.21915%0.154CC..SBendtrans-97.7-45.9171.3-56.6-58000109.8R397 R408 D415R397-N410 WeakPolarHBondContact CD-O 3.45Å; R408-N410 PolarHBondContact O-N 3.29Å; N410-D415 WeakPolarHBondContact CA-OD2 3.4Å; N410-D415 PolarHBondContact N-OD2 3.13Å
411H87.6Confident91.6Very high41 Ų4127.9 Ų27.919%0.1915%0.154CC..SBendtrans-120.3103.1-175.8-59.6-57.8000110M258 K259 L260 Y413 A414 D415M258-H411 PolarHBondContact O-CD2 3.44Å; M258-H411 VanDerWaalsContact O-CD2 3.28Å; M258-H411 PolarHBondContact O-CE1 3.5Å; M258-H411 PolarHBondContact O-ND1 2.73Å; M258-H411 PolarHBondContact O-NE2 3.27Å; K259-H411 PolarHBondContact O-CD2 2.93Å; L260-H411 PolarHBondContact O-NE2 3.17Å; H411-Y413 VanDerWaalsContact C-N 3.3Å; H411-Y413 PolarHBondContact O-N 2.75Å; H411-Y413 VanDerWaalsContact O-N 3.1Å; H411-A414 HydrophobicContact CB-CB 4.09Å; H411-A414 PolarHBondContact O-N 2.92Å; H411-A414 VanDerWaalsContact O-N 3.13Å; H411-D415 PolarHBondContact N-OD2 2.74Å; H411-D415 WeakPolarHBondContact O-CB 3.48Å; H411-D415 PolarHBondContact O-N 3.19Å
412L90.9Very high91.8Very high7 Ų727.7 Ų27.74%0.03715%0.153CC..THydrogen-bonded Turntrans-50.6-46.4-165.9-173.762.9000113.7E393 M400 V409 I416 L488 L491E393-L412 HydrophobicContact CB-CD2 4.08Å; E393-L412 HydrophobicContact CG-CD2 3.97Å; M400-L412 HydrophobicContact CE-CD1 4.38Å; M400-L412 HydrophobicContact SD-CD1 3.83Å; V409-L412 HydrophobicContact CG1-CD1 4.2Å; L412-I416 HydrophobicContact CD1-CD1 4.14Å; L412-I416 HydrophobicContact CG-CD1 4.35Å; L412-I416 WeakPolarHBondContact O-CD1 3.14Å; L412-I416 WeakPolarHBondContact O-CG1 3.31Å; L412-L488 HydrophobicContact CD2-CD2 3.83Å; L412-L491 HydrophobicContact CD1-CD1 3.72Å; L412-L491 HydrophobicContact CD2-CD1 3.84Å; L412-L491 HydrophobicContact CG-CD1 4.06Å
413Y90.8Very high92.2Very high36 Ų3627.7 Ų27.714%0.14115%0.153CC..THydrogen-bonded Turntrans-82.8-25.3-174-54.9-58.7000114.2E393 H411 R484 T487 L488E393-Y413 HydrophobicContact CG-CE2 4.16Å; E393-Y413 VanDerWaalsContact CG-OH 3.31Å; E393-Y413 WeakPolarHBondContact CG-OH 3.49Å; E393-Y413 PolarHBondContact OE1-OH 3.44Å; H411-Y413 VanDerWaalsContact C-N 3.3Å; H411-Y413 PolarHBondContact O-N 2.75Å; H411-Y413 VanDerWaalsContact O-N 3.1Å; Y413-R484 HydrophobicContact CD2-CG 4.09Å; Y413-R484 HydrophobicContact CE1-CB 4.11Å; Y413-R484 HydrophobicContact CE1-CG 4.18Å; Y413-R484 HydrophobicContact CE2-CB 4.22Å; Y413-R484 HydrophobicContact CE2-CG 3.55Å; Y413-R484 WeakPolarHBondContact OH-CB 3.4Å; Y413-T487 HydrophobicContact CD1-CG2 3.95Å; Y413-T487 HydrophobicContact CE1-CG2 4.04Å; Y413-L488 HydrophobicContact CE1-CG 4.49Å; Y413-L488 WeakPolarHBondContact OH-CD1 3.45Å
414A88.9Confident92.5Very high25 Ų2529.1 Ų29.121%0.20716%0.159CC..THydrogen-bonded Turntrans-85.7-40.3179.400000111.5K259 H411 I416 D417K259-A414 HydrophobicContact CD-CB 4.44Å; K259-A414 HydrophobicContact CG-CB 3.86Å; H411-A414 HydrophobicContact CB-CB 4.09Å; H411-A414 PolarHBondContact O-N 2.92Å; H411-A414 VanDerWaalsContact O-N 3.13Å; A414-I416 VanDerWaalsContact C-N 3.3Å; A414-I416 PolarHBondContact O-N 3.26Å; A414-D417 VanDerWaalsContact O-CG 3.27Å
415D91Very high92.8Very high40 Ų4027.7 Ų27.721%0.21414%0.144CC..THydrogen-bonded Turntrans-80.5-9.5-172-66.6-22000113.8V409 N410 H411V409-D415 HydrophobicContact CG1-CB 4.21Å; N410-D415 WeakPolarHBondContact CA-OD2 3.4Å; N410-D415 PolarHBondContact N-OD2 3.13Å; H411-D415 PolarHBondContact N-OD2 2.74Å; H411-D415 WeakPolarHBondContact O-CB 3.48Å; H411-D415 PolarHBondContact O-N 3.19Å
416I94.6Very high93.1Very high3 Ų327.1 Ų27.12%0.01514%0.141CC..THydrogen-bonded Turntrans-116.88.5177.277-168000113.2M400 V409 L412 A414 D418 A419 V421 I422 T487 L491M400-I416 HydrophobicContact CE-CG2 3.68Å; V409-I416 HydrophobicContact CG2-CG2 4.38Å; L412-I416 HydrophobicContact CD1-CD1 4.14Å; L412-I416 HydrophobicContact CG-CD1 4.35Å; L412-I416 WeakPolarHBondContact O-CD1 3.14Å; L412-I416 WeakPolarHBondContact O-CG1 3.31Å; A414-I416 VanDerWaalsContact C-N 3.3Å; A414-I416 PolarHBondContact O-N 3.26Å; I416-D418 PolarHBondContact O-N 2.95Å; I416-D418 VanDerWaalsContact O-N 3.15Å; I416-A419 PolarHBondContact O-N 3.15Å; I416-V421 HydrophobicContact CG2-CB 3.9Å; I416-V421 HydrophobicContact CG2-CG1 4.14Å; I416-V421 HydrophobicContact CG2-CG2 4.31Å; I416-I422 HydrophobicContact CB-CG1 4.43Å; I416-T487 HydrophobicContact CD1-CG2 3.49Å; I416-T487 VanDerWaalsContact CD1-CG2 3.49Å; I416-T487 HydrophobicContact CG1-CG2 4.38Å; I416-L491 HydrophobicContact CD1-CD1 4.18Å; I416-L491 HydrophobicContact CD1-CD2 4.47Å
417D93.4Very high93.4Very high33 Ų3325.8 Ų25.818%0.17613%0.131CC..THydrogen-bonded Turntrans-66.1-14.1-177.281.6-20.2000113.6A414 K452 C456 N480A414-D417 VanDerWaalsContact O-CG 3.27Å; D417-K452 IonicContact OD1-NZ 2.65Å; D417-K452 PolarHBondContact OD1-NZ 3.03Å; D417-K452 IonicContact OD2-NZ 3.33Å; D417-K452 PolarHBondContact OD2-NZ 2.79Å; D417-C456 PolarHBondContact O-SG 3.26Å; D417-N480 WeakPolarHBondContact O-CA 3.18Å; D417-N480 PolarHBondContact O-ND2 3.15Å
418D94.4Very high93.5Very high21 Ų2127.1 Ų27.111%0.11213%0.13CC..THydrogen-bonded Turntrans-103.81.9175.872.96.1000113.7I416 L420 Y443 K452 N455I416-D418 PolarHBondContact O-N 2.95Å; I416-D418 VanDerWaalsContact O-N 3.15Å; D418-L420 PolarHBondContact O-N 2.71Å; D418-L420 VanDerWaalsContact O-N 3.1Å; D418-L420 WeakPolarHBondContact OD1-CB 3.23Å; D418-L420 WeakPolarHBondContact OD1-CG 3.39Å; D418-L420 PolarHBondContact OD1-N 3.34Å; D418-L420 WeakPolarHBondContact OD2-CD1 3.36Å; D418-Y443 HydrophobicContact CB-CE2 4.25Å; D418-K452 HydrophobicContact CB-CB 4.23Å; D418-K452 HydrophobicContact CB-CD 3.91Å; D418-K452 HydrophobicContact CB-CG 3.69Å; D418-N455 WeakPolarHBondContact O-CB 3.36Å; D418-N455 PolarHBondContact O-ND2 3.3Å
419A97.1Very high93.6Very high0 Ų023.6 Ų23.60%012%0.117CC..SBendtrans57.58.2-177.700000117I416 V421 I422 F423 N455 A459I416-A419 PolarHBondContact O-N 3.15Å; A419-V421 VanDerWaalsContact C-N 3.32Å; A419-V421 PolarHBondContact O-N 3.47Å; A419-I422 HydrophobicContact CB-CB 4.31Å; A419-I422 HydrophobicContact CB-CD1 4.15Å; A419-I422 WeakPolarHBondContact O-CB 3.36Å; A419-I422 PolarHBondContact O-N 3.49Å; A419-F423 HydrophobicContact CB-CE2 4.17Å; A419-F423 HydrophobicContact CB-CZ 4.45Å; A419-F423 WeakPolarHBondContact O-CD2 3.4Å; A419-F423 PolarHBondContact O-N 3.39Å; A419-N455 HydrophobicContact CB-CB 4.3Å; A419-A459 HydrophobicContact CB-CB 3.8Å
420L96.8Very high93.6Very high16 Ų1629.8 Ų29.88%0.08414%0.144CC..Hα-helixtrans-63.1-39.1-179-68.4-177.3000113D418 I422 F423 Q424 V438 P441D418-L420 PolarHBondContact O-N 2.71Å; D418-L420 VanDerWaalsContact O-N 3.1Å; D418-L420 WeakPolarHBondContact OD1-CB 3.23Å; D418-L420 WeakPolarHBondContact OD1-CG 3.39Å; D418-L420 PolarHBondContact OD1-N 3.34Å; D418-L420 WeakPolarHBondContact OD2-CD1 3.36Å; L420-I422 VanDerWaalsContact C-N 3.33Å; L420-F423 HydrophobicContact CD2-CD2 4.37Å; L420-F423 PolarHBondContact O-N 3.28Å; L420-Q424 PolarHBondContact O-N 3.38Å; L420-Q424 PolarHBondContact O-NE2 2.81Å; L420-V438 HydrophobicContact CD2-CG1 3.38Å; L420-P441 VanDerWaalsContact CD1-CD 3.47Å; L420-P441 HydrophobicContact CD1-CG 4.2Å
421V96.8Very high93.9Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-66.9-38.6174.11770000110.6M400 V405 V409 I416 A419 F423 Q424 L425M400-V421 HydrophobicContact CE-CB 4.42Å; M400-V421 HydrophobicContact CE-CG1 3.33Å; V405-V421 HydrophobicContact CB-CG1 3.89Å; V405-V421 HydrophobicContact CG1-CG1 3.95Å; V405-V421 HydrophobicContact CG2-CG1 3.94Å; V409-V421 HydrophobicContact CG2-CG1 4Å; V409-V421 HydrophobicContact CG2-CG2 4.25Å; I416-V421 HydrophobicContact CG2-CB 3.9Å; I416-V421 HydrophobicContact CG2-CG1 4.14Å; I416-V421 HydrophobicContact CG2-CG2 4.31Å; A419-V421 VanDerWaalsContact C-N 3.32Å; A419-V421 PolarHBondContact O-N 3.47Å; V421-F423 VanDerWaalsContact C-N 3.33Å; V421-F423 PolarHBondContact O-N 3.09Å; V421-Q424 WeakPolarHBondContact O-CB 3.42Å; V421-Q424 PolarHBondContact O-N 3.28Å; V421-L425 HydrophobicContact CG1-CD1 4.49Å; V421-L425 WeakPolarHBondContact O-CG 3.03Å; V421-L425 PolarHBondContact O-N 3.41Å
422I97.9Very high94.2Very high1 Ų131.1 Ų31.11%0.00516%0.158CC..Hα-helixtrans-62.8-40.5178.4-59.1175.2000110.8I416 A419 L420 Q424 L425 Y426 A459 L479 L490 L494I416-I422 HydrophobicContact CB-CG1 4.43Å; A419-I422 HydrophobicContact CB-CB 4.31Å; A419-I422 HydrophobicContact CB-CD1 4.15Å; A419-I422 WeakPolarHBondContact O-CB 3.36Å; A419-I422 PolarHBondContact O-N 3.49Å; L420-I422 VanDerWaalsContact C-N 3.33Å; I422-Q424 PolarHBondContact O-N 2.86Å; I422-L425 WeakPolarHBondContact O-CB 3.46Å; I422-L425 PolarHBondContact O-N 3.26Å; I422-Y426 HydrophobicContact CG2-CD2 3.96Å; I422-Y426 HydrophobicContact CG2-CE2 3.57Å; I422-Y426 VanDerWaalsContact O-CD2 3.31Å; I422-Y426 WeakPolarHBondContact O-CD2 3.3Å; I422-Y426 PolarHBondContact O-N 3.24Å; I422-A459 HydrophobicContact CG2-CB 4.1Å; I422-L479 HydrophobicContact CD1-CD1 4.16Å; I422-L490 HydrophobicContact CD1-CD2 4.15Å; I422-L490 HydrophobicContact CG2-CD2 4.38Å; I422-L494 HydrophobicContact CG2-CD1 4.2Å
423F98.1Very high94.5Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-60.6-43.2173.8-67.3-50.2000112.9A419 L420 V421 L425 Y426 E427 V433 W435 V438 N455 Y458 A459 L462A419-F423 HydrophobicContact CB-CE2 4.17Å; A419-F423 HydrophobicContact CB-CZ 4.45Å; A419-F423 WeakPolarHBondContact O-CD2 3.4Å; A419-F423 PolarHBondContact O-N 3.39Å; L420-F423 HydrophobicContact CD2-CD2 4.37Å; L420-F423 PolarHBondContact O-N 3.28Å; V421-F423 VanDerWaalsContact C-N 3.33Å; V421-F423 PolarHBondContact O-N 3.09Å; F423-L425 VanDerWaalsContact C-N 3.29Å; F423-L425 PolarHBondContact O-N 3.06Å; F423-Y426 HydrophobicContact CD1-CD2 4.36Å; F423-Y426 WeakPolarHBondContact O-CB 3.47Å; F423-Y426 PolarHBondContact O-N 3.14Å; F423-Y426 VanDerWaalsContact O-N 3.15Å; F423-E427 PolarHBondContact O-N 2.98Å; F423-V433 HydrophobicContact CB-CG1 4.04Å; F423-V433 HydrophobicContact CB-CG2 4.26Å; F423-V433 HydrophobicContact CD1-CG1 3.67Å; F423-V433 HydrophobicContact CD1-CG2 4.22Å; F423-V433 HydrophobicContact CE1-CG1 4.38Å; F423-V433 HydrophobicContact CG-CG1 3.96Å; F423-W435 HydrophobicContact CB-CH2 3.79Å; F423-W435 HydrophobicContact CB-CZ2 4.2Å; F423-W435 HydrophobicContact CB-CZ3 4.29Å; F423-V438 HydrophobicContact CD2-CG1 3.83Å; F423-V438 HydrophobicContact CD2-CG2 3.86Å; F423-V438 HydrophobicContact CE1-CG2 4.46Å; F423-V438 HydrophobicContact CE2-CB 4.39Å; F423-V438 HydrophobicContact CE2-CG1 3.79Å; F423-V438 HydrophobicContact CE2-CG2 3.74Å; F423-V438 HydrophobicContact CG-CG2 4.3Å; F423-V438 HydrophobicContact CZ-CG2 4.06Å; F423-N455 HydrophobicContact CE2-CB 3.89Å; F423-N455 HydrophobicContact CZ-CB 4.27Å; F423-N455 VanDerWaalsContact CZ-O 3.26Å; F423-N455 WeakPolarHBondContact CZ-O 3.49Å; F423-Y458 HydrophobicContact CD1-CD1 4.47Å; F423-Y458 AromaticContact CE1-CD1 3.43Å; F423-Y458 HydrophobicContact CE1-CD1 3.43Å; F423-Y458 VanDerWaalsContact CE1-CD1 3.43Å; F423-Y458 AromaticContact CE1-CE1 3.9Å; F423-Y458 HydrophobicContact CE1-CE1 3.9Å; F423-Y458 HydrophobicContact CE1-CG 4.12Å; F423-Y458 AromaticContact CZ-CD1 3.51Å; F423-Y458 HydrophobicContact CZ-CD1 3.51Å; F423-Y458 HydrophobicContact CZ-CE1 4.32Å; F423-Y458 HydrophobicContact CZ-CG 4.2Å; F423-A459 HydrophobicContact CE1-CB 3.86Å; F423-A459 HydrophobicContact CZ-CB 4.09Å; F423-L462 HydrophobicContact CD1-CD1 3.97Å; F423-L462 HydrophobicContact CE1-CD1 3.93Å
424Q96.6Very high94.8Very high35 Ų3533.2 Ų33.216%0.16417%0.173CC..Hα-helixtrans-61.1-40.1174.4-68.2167.358.400111.5V405 N406 L420 V421 I422 Y426 E427 K428 W435V405-Q424 HydrophobicContact CG1-CB 4.43Å; N406-Q424 PolarHBondContact O-NE2 2.89Å; N406-Q424 PolarHBondContact O-OE1 2.81Å; L420-Q424 PolarHBondContact O-N 3.38Å; L420-Q424 PolarHBondContact O-NE2 2.81Å; V421-Q424 WeakPolarHBondContact O-CB 3.42Å; V421-Q424 PolarHBondContact O-N 3.28Å; I422-Q424 PolarHBondContact O-N 2.86Å; Q424-Y426 VanDerWaalsContact C-N 3.34Å; Q424-Y426 PolarHBondContact O-N 3.34Å; Q424-E427 PolarHBondContact O-N 2.91Å; Q424-K428 WeakPolarHBondContact O-CG 3.37Å; Q424-K428 PolarHBondContact O-N 3.18Å; Q424-K428 VanDerWaalsContact O-N 3.11Å; Q424-W435 HydrophobicContact CG-CH2 4.15Å; Q424-W435 HydrophobicContact CG-CZ2 4.44Å
425L96.8Very high95.1Very high1 Ų135.3 Ų35.31%0.00518%0.175CC..Hα-helixtrans-63.7-38.1175.3-63.9174.3000112.1W399 M400 L403 V405 V421 I422 F423 E427 K428 I429 L491 L494W399-L425 HydrophobicContact CH2-CD1 4.42Å; W399-L425 HydrophobicContact CH2-CD2 4.25Å; W399-L425 HydrophobicContact CZ3-CD1 4.24Å; W399-L425 HydrophobicContact CZ3-CD2 4.49Å; M400-L425 HydrophobicContact CE-CD1 3.97Å; M400-L425 HydrophobicContact CG-CD1 3.85Å; M400-L425 HydrophobicContact CG-CD2 4.18Å; M400-L425 HydrophobicContact SD-CD1 4.27Å; L403-L425 HydrophobicContact CD1-CD2 3.75Å; V405-L425 HydrophobicContact CG1-CD2 3.84Å; V405-L425 HydrophobicContact CG1-CG 4.35Å; V421-L425 HydrophobicContact CG1-CD1 4.49Å; V421-L425 WeakPolarHBondContact O-CG 3.03Å; V421-L425 PolarHBondContact O-N 3.41Å; I422-L425 WeakPolarHBondContact O-CB 3.46Å; I422-L425 PolarHBondContact O-N 3.26Å; F423-L425 VanDerWaalsContact C-N 3.29Å; F423-L425 PolarHBondContact O-N 3.06Å; L425-E427 VanDerWaalsContact C-N 3.32Å; L425-E427 PolarHBondContact O-N 3.48Å; L425-K428 WeakPolarHBondContact O-CB 3.39Å; L425-K428 PolarHBondContact O-N 3.02Å; L425-K428 VanDerWaalsContact O-N 3.15Å; L425-I429 WeakPolarHBondContact O-CG1 3.48Å; L425-I429 PolarHBondContact O-N 3.22Å; L425-I429 VanDerWaalsContact O-N 3.08Å; L425-L491 HydrophobicContact CD1-CD2 4.31Å; L425-L494 HydrophobicContact CB-CD1 4.49Å; L425-L494 HydrophobicContact CD1-CD1 4.18Å
426Y97.4Very high95.4Very high0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-57-45173.5-82.1-57.5000111.8I422 F423 Q424 K428 I429 K430 V431 A459 L462 G463 A467 F469 L494I422-Y426 HydrophobicContact CG2-CD2 3.96Å; I422-Y426 HydrophobicContact CG2-CE2 3.57Å; I422-Y426 VanDerWaalsContact O-CD2 3.31Å; I422-Y426 WeakPolarHBondContact O-CD2 3.3Å; I422-Y426 PolarHBondContact O-N 3.24Å; F423-Y426 HydrophobicContact CD1-CD2 4.36Å; F423-Y426 WeakPolarHBondContact O-CB 3.47Å; F423-Y426 PolarHBondContact O-N 3.14Å; F423-Y426 VanDerWaalsContact O-N 3.15Å; Q424-Y426 VanDerWaalsContact C-N 3.34Å; Q424-Y426 PolarHBondContact O-N 3.34Å; Y426-K428 VanDerWaalsContact C-N 3.33Å; Y426-K428 PolarHBondContact O-N 3.22Å; Y426-I429 HydrophobicContact CD1-CD1 4.01Å; Y426-I429 HydrophobicContact CD1-CG1 4.4Å; Y426-I429 HydrophobicContact CE1-CD1 4.48Å; Y426-I429 CarbonylContact O-C 3.36Å; Y426-I429 WeakPolarHBondContact O-CG1 3.46Å; Y426-I429 PolarHBondContact O-N 2.97Å; Y426-I429 VanDerWaalsContact O-N 3.1Å; Y426-K430 PolarHBondContact O-N 3.24Å; Y426-V431 CarbonylContact C-O 3.41Å; Y426-V431 HydrophobicContact CD1-CB 3.83Å; Y426-V431 HydrophobicContact CD1-CG1 3.78Å; Y426-V431 HydrophobicContact CD1-CG2 4.17Å; Y426-V431 HydrophobicContact CG-CB 4.34Å; Y426-V431 HydrophobicContact CG-CG1 4.25Å; Y426-V431 PolarHBondContact O-N 3.43Å; Y426-A459 HydrophobicContact CE2-CB 4.25Å; Y426-A459 WeakPolarHBondContact CE2-O 3.43Å; Y426-A459 PolarHBondContact OH-O 2.63Å; Y426-L462 HydrophobicContact CD2-CB 4.41Å; Y426-L462 HydrophobicContact CD2-CD1 4.14Å; Y426-L462 HydrophobicContact CE1-CB 4.47Å; Y426-L462 HydrophobicContact CE2-CB 4.06Å; Y426-L462 HydrophobicContact CE2-CD1 4.43Å; Y426-G463 WeakPolarHBondContact OH-CA 3.4Å; Y426-G463 PolarHBondContact OH-N 3.29Å; Y426-G463 VanDerWaalsContact OH-N 3.11Å; Y426-A467 HydrophobicContact CE1-CB 4.13Å; Y426-F469 AromaticContact CE1-CE2 3.88Å; Y426-F469 HydrophobicContact CE1-CE2 3.88Å; Y426-L494 HydrophobicContact CD1-CD2 3.91Å; Y426-L494 HydrophobicContact CE1-CD2 3.7Å
427E94.4Very high95.4Very high95 Ų9547.9 Ų47.944%0.44423%0.231SC..Hα-helixtrans-61.9-41175.4-64-176.2137.500111.9F423 Q424 L425 I429 K430 V433 W435F423-E427 PolarHBondContact O-N 2.98Å; Q424-E427 PolarHBondContact O-N 2.91Å; L425-E427 VanDerWaalsContact C-N 3.32Å; L425-E427 PolarHBondContact O-N 3.48Å; E427-I429 PolarHBondContact O-N 3.04Å; E427-K430 PolarHBondContact O-N 2.95Å; E427-V433 HydrophobicContact CG-CG2 4.1Å; E427-W435 PolarHBondContact OE1-NE1 3.44Å
428K91.5Very high95.5Very high96 Ų9646.9 Ų46.942%0.41723%0.226SC..Hα-helixtrans-62-26.7176.2-61.5-60.2-178.3179.10112.9L403 Q424 L425 Y426L403-K428 HydrophobicContact CB-CG 4.49Å; L403-K428 HydrophobicContact CD1-CB 4.47Å; L403-K428 HydrophobicContact CD1-CG 4.45Å; L403-K428 VanDerWaalsContact O-CE 3.32Å; L403-K428 WeakPolarHBondContact O-CE 3.37Å; L403-K428 PolarHBondContact O-NZ 3.03Å; Q424-K428 WeakPolarHBondContact O-CG 3.37Å; Q424-K428 PolarHBondContact O-N 3.18Å; Q424-K428 VanDerWaalsContact O-N 3.11Å; L425-K428 WeakPolarHBondContact O-CB 3.39Å; L425-K428 PolarHBondContact O-N 3.02Å; L425-K428 VanDerWaalsContact O-N 3.15Å; Y426-K428 VanDerWaalsContact C-N 3.33Å; Y426-K428 PolarHBondContact O-N 3.22Å
429I91.8Very high95.6Very high4 Ų447.4 Ų47.42%0.02123%0.229CC..THydrogen-bonded Turntrans-9920.4175.166.2164.4000113.4L425 Y426 E427 V431 F469 L494 R497 Y498 N501L425-I429 WeakPolarHBondContact O-CG1 3.48Å; L425-I429 PolarHBondContact O-N 3.22Å; L425-I429 VanDerWaalsContact O-N 3.08Å; Y426-I429 HydrophobicContact CD1-CD1 4.01Å; Y426-I429 HydrophobicContact CD1-CG1 4.4Å; Y426-I429 HydrophobicContact CE1-CD1 4.48Å; Y426-I429 CarbonylContact O-C 3.36Å; Y426-I429 WeakPolarHBondContact O-CG1 3.46Å; Y426-I429 PolarHBondContact O-N 2.97Å; Y426-I429 VanDerWaalsContact O-N 3.1Å; E427-I429 PolarHBondContact O-N 3.04Å; I429-V431 VanDerWaalsContact C-N 3.25Å; I429-V431 HydrophobicContact CD1-CG2 3.99Å; I429-V431 HydrophobicContact CG1-CB 4.39Å; I429-V431 HydrophobicContact CG1-CG2 3.94Å; I429-V431 PolarHBondContact O-N 3.36Å; I429-F469 HydrophobicContact CD1-CE2 4.48Å; I429-F469 HydrophobicContact CD1-CZ 3.82Å; I429-L494 HydrophobicContact CD1-CD2 3.6Å; I429-R497 HydrophobicContact CB-CG 4.2Å; I429-R497 HydrophobicContact CD1-CB 4.21Å; I429-R497 HydrophobicContact CD1-CG 3.94Å; I429-Y498 HydrophobicContact CG2-CD2 4.07Å; I429-Y498 HydrophobicContact CG2-CG 4.33Å; I429-N501 VanDerWaalsContact C-ND2 3.33Å; I429-N501 PolarHBondContact O-ND2 3.33Å
430K90.9Very high95.3Very high131 Ų13153.5 Ų53.557%0.5726%0.256SS*.THydrogen-bonded Turntrans6129.8176.5-52.2177.9-176.1173.60113.4Y426 E427 D505Y426-K430 PolarHBondContact O-N 3.24Å; E427-K430 PolarHBondContact O-N 2.95Å; K430-D505 IonicContact NZ-OD1 3.7Å; K430-D505 PolarHBondContact NZ-OD1 3.18Å; K430-D505 IonicContact NZ-OD2 2.79Å; K430-D505 PolarHBondContact NZ-OD2 2.7Å
431V94.4Very high94.8Very high8 Ų856.3 Ų56.35%0.04828%0.275CS..  trans-100117171.2175.80000108.3Y426 I429 E466 A467Y426-V431 CarbonylContact C-O 3.41Å; Y426-V431 HydrophobicContact CD1-CB 3.83Å; Y426-V431 HydrophobicContact CD1-CG1 3.78Å; Y426-V431 HydrophobicContact CD1-CG2 4.17Å; Y426-V431 HydrophobicContact CG-CB 4.34Å; Y426-V431 HydrophobicContact CG-CG1 4.25Å; Y426-V431 PolarHBondContact O-N 3.43Å; I429-V431 VanDerWaalsContact C-N 3.25Å; I429-V431 HydrophobicContact CD1-CG2 3.99Å; I429-V431 HydrophobicContact CG1-CB 4.39Å; I429-V431 HydrophobicContact CG1-CG2 3.94Å; I429-V431 PolarHBondContact O-N 3.36Å; V431-E466 HydrophobicContact CG1-CB 3.84Å; V431-A467 HydrophobicContact CG2-CB 3.97Å
432P94.5Very high94.3Very high102 Ų10262.6 Ų62.666%0.66232%0.315SS*.  trans-62.7139.1-179.7-22.233.3000112.4
433V96.8Very high93.7Very high18 Ų1864.7 Ų64.711%0.10932%0.324CS..  trans-117.2129.5173.5-177.70000109.1F423 E427 W435 V438 Y458 L462F423-V433 HydrophobicContact CB-CG1 4.04Å; F423-V433 HydrophobicContact CB-CG2 4.26Å; F423-V433 HydrophobicContact CD1-CG1 3.67Å; F423-V433 HydrophobicContact CD1-CG2 4.22Å; F423-V433 HydrophobicContact CE1-CG1 4.38Å; F423-V433 HydrophobicContact CG-CG1 3.96Å; E427-V433 HydrophobicContact CG-CG2 4.1Å; V433-W435 HydrophobicContact CG1-CD2 4.38Å; V433-W435 PolarHBondContact O-N 3.44Å; V433-V438 HydrophobicContact CG1-CG2 4.08Å; V433-Y458 HydrophobicContact CG1-CE1 4.1Å; V433-L462 HydrophobicContact CG1-CD1 4.37Å; V433-L462 HydrophobicContact CG2-CD1 4.03Å
434D96.8Very high93.1Very high69 Ų6968.3 Ų68.337%0.36935%0.349SS..  trans-83.695.7170.4-178.2-0.7000109.5D436 R437 Y458D434-D436 PolarHBondContact O-N 3.16Å; D434-D436 WeakPolarHBondContact OD1-CB 3.35Å; D434-D436 PolarHBondContact OD1-N 3.34Å; D434-D436 VanDerWaalsContact OD1-N 3.11Å; D434-R437 HydrophobicContact CB-CG 4.47Å; D434-R437 PolarHBondContact O-N 2.89Å; D434-R437 WeakPolarHBondContact OD2-CD 3.37Å; D434-R437 WeakPolarHBondContact OD2-CG 3.31Å; D434-Y458 VanDerWaalsContact CB-OH 3.31Å; D434-Y458 WeakPolarHBondContact CB-OH 3.34Å; D434-Y458 PolarHBondContact N-OH 2.96Å
435W95.8Very high92.1Very high69 Ų6977 Ų7726%0.26139%0.387SS..G310 helixtrans-68.7-14.8-178.1-72.8100.7000114.2F423 Q424 E427 V433 V438F423-W435 HydrophobicContact CB-CH2 3.79Å; F423-W435 HydrophobicContact CB-CZ2 4.2Å; F423-W435 HydrophobicContact CB-CZ3 4.29Å; Q424-W435 HydrophobicContact CG-CH2 4.15Å; Q424-W435 HydrophobicContact CG-CZ2 4.44Å; E427-W435 PolarHBondContact OE1-NE1 3.44Å; V433-W435 HydrophobicContact CG1-CD2 4.38Å; V433-W435 PolarHBondContact O-N 3.44Å; W435-V438 HydrophobicContact CE3-CB 3.95Å; W435-V438 HydrophobicContact CE3-CG1 3.96Å; W435-V438 HydrophobicContact CE3-CG2 4.02Å; W435-V438 HydrophobicContact CZ3-CB 4.47Å; W435-V438 HydrophobicContact CZ3-CG1 4Å; W435-V438 PolarHBondContact O-N 3.26Å
436D95.9Very high91Very high159 Ų15985.3 Ų85.385%0.8543%0.43SS*.G310 helixtrans-73.6-22.8175.2-67.3-28.1000111.3D434D434-D436 PolarHBondContact O-N 3.16Å; D434-D436 WeakPolarHBondContact OD1-CB 3.35Å; D434-D436 PolarHBondContact OD1-N 3.34Å; D434-D436 VanDerWaalsContact OD1-N 3.11Å
437R95.1Very high90.2Very high147 Ų14786.1 Ų86.156%0.55544%0.438SS*.G310 helixtrans-84.5-12.6172.3-70.6179141.9-150.2-5.3113.8D434 Y458D434-R437 HydrophobicContact CB-CG 4.47Å; D434-R437 PolarHBondContact O-N 2.89Å; D434-R437 WeakPolarHBondContact OD2-CD 3.37Å; D434-R437 WeakPolarHBondContact OD2-CG 3.31Å; R437-Y458 HydrophobicContact CB-CD1 4.44Å; R437-Y458 HydrophobicContact CB-CE1 4.28Å
438V96.6Very high89.8Confident12 Ų1282.8 Ų82.87%0.07343%0.425CS..  trans-89.1122.7-173.31780000110.7L420 F423 V433 W435 Y458L420-V438 HydrophobicContact CD2-CG1 3.38Å; F423-V438 HydrophobicContact CD2-CG1 3.83Å; F423-V438 HydrophobicContact CD2-CG2 3.86Å; F423-V438 HydrophobicContact CE1-CG2 4.46Å; F423-V438 HydrophobicContact CE2-CB 4.39Å; F423-V438 HydrophobicContact CE2-CG1 3.79Å; F423-V438 HydrophobicContact CE2-CG2 3.74Å; F423-V438 HydrophobicContact CG-CG2 4.3Å; F423-V438 HydrophobicContact CZ-CG2 4.06Å; V433-V438 HydrophobicContact CG1-CG2 4.08Å; W435-V438 HydrophobicContact CE3-CB 3.95Å; W435-V438 HydrophobicContact CE3-CG1 3.96Å; W435-V438 HydrophobicContact CE3-CG2 4.02Å; W435-V438 HydrophobicContact CZ3-CB 4.47Å; W435-V438 HydrophobicContact CZ3-CG1 4Å; W435-V438 PolarHBondContact O-N 3.26Å; V438-Y458 HydrophobicContact CG2-CD1 4.2Å; V438-Y458 HydrophobicContact CG2-CE1 4.14Å
439N94.8Very high89.7Confident33 Ų3383.7 Ų83.718%0.17644%0.435CS..  trans-79.8125.3175.2-59.7-77.4000110.7Y443 K451 E454 N455N439-Y443 HydrophobicContact CB-CE1 4.13Å; N439-Y443 PolarHBondContact O-OH 3.36Å; N439-K451 HydrophobicContact CB-CB 3.93Å; N439-K451 HydrophobicContact CB-CD 4.27Å; N439-K451 HydrophobicContact CB-CG 4.37Å; N439-K451 PolarHBondContact ND2-O 3.23Å; N439-K451 WeakPolarHBondContact OD1-CD 3.4Å; N439-K451 WeakPolarHBondContact OD1-CE 3.32Å; N439-K451 PolarHBondContact OD1-NZ 3.41Å; N439-E454 PolarHBondContact ND2-OE2 3.02Å; N439-N455 WeakPolarHBondContact CB-OD1 3.28Å; N439-N455 PolarHBondContact N-OD1 2.86Å; N439-N455 PolarHBondContact ND2-OD1 3.27Å; N439-N455 PolarHBondContact O-ND2 2.72Å
440K90.9Very high89.7Confident128 Ų12889.6 Ų89.656%0.55746%0.464SS*.  trans-106.7150.2-177.7-62.4177.4-176175.50112
441P87.2Confident89.9Confident75 Ų7587 Ų8749%0.48745%0.452SS..SBendtrans-65.2160.4171.327.3-36.1000111.9L420 Y443L420-P441 VanDerWaalsContact CD1-CD 3.47Å; L420-P441 HydrophobicContact CD1-CG 4.2Å; P441-Y443 HydrophobicContact CB-CD2 4.25Å; P441-Y443 HydrophobicContact CB-CE2 4.07Å
442P85.7Confident89.9Confident131 Ų13188.2 Ų88.285%0.85146%0.457SS*.SBendcis-75.7132.41.630.4-34.3000112.4
443Y85.3Confident90Very high45 Ų4586.1 Ų86.118%0.17644%0.44CS..PPolyproline II helixtrans-79.8143.1175.3-58.1-64000111D418 N439 P441 S448 K451 K452D418-Y443 HydrophobicContact CB-CE2 4.25Å; N439-Y443 HydrophobicContact CB-CE1 4.13Å; N439-Y443 PolarHBondContact O-OH 3.36Å; P441-Y443 HydrophobicContact CB-CD2 4.25Å; P441-Y443 HydrophobicContact CB-CE2 4.07Å; Y443-S448 WeakPolarHBondContact CB-OG 3.36Å; Y443-K451 HydrophobicContact CD1-CB 3.81Å; Y443-K451 HydrophobicContact CD1-CG 4.43Å; Y443-K451 HydrophobicContact CE1-CB 3.95Å; Y443-K452 HydrophobicContact CD2-CG 4.39Å; Y443-K452 HydrophobicContact CE2-CG 4.11Å
444S85.6Confident90Very high77 Ų7789.4 Ų89.454%0.53845%0.454SS..PPolyproline II helixtrans-69.9143.8172.569.70000110.3L446 G447 S448S444-L446 PolarHBondContact O-N 3.38Å; S444-L446 VanDerWaalsContact O-N 3.14Å; S444-G447 PolarHBondContact O-N 3.45Å; S444-G447 VanDerWaalsContact O-N 3.12Å; S444-G447 PolarHBondContact OG-N 2.93Å; S444-S448 WeakPolarHBondContact O-CB 3.41Å; S444-S448 PolarHBondContact O-N 2.88Å
445K76.6Confident90Very high218 Ų21886.1 Ų86.195%0.94844%0.437SS*.THydrogen-bonded Turntrans-54.6-35.8179.8-74.4-171.9176-174.80113.2
446L73.6Confident90.2Very high175 Ų17582.9 Ų82.992%0.91642%0.424SS*.THydrogen-bonded Turntrans-83.6-22.2-177.1-154.576.6000113.4S444S444-L446 PolarHBondContact O-N 3.38Å; S444-L446 VanDerWaalsContact O-N 3.14Å
447G79.7Confident90.3Very high17 Ų1779 Ų7918%0.17540%0.403CS..THydrogen-bonded Turntrans-115.5-3.4-174.100000115.1S444 N449 M450 K451S444-G447 PolarHBondContact O-N 3.45Å; S444-G447 VanDerWaalsContact O-N 3.12Å; S444-G447 PolarHBondContact OG-N 2.93Å; G447-N449 PolarHBondContact O-N 3.09Å; G447-M450 PolarHBondContact O-N 3.43Å; G447-K451 WeakPolarHBondContact O-CG 3.43Å; G447-K451 PolarHBondContact O-N 3.23Å
448S86.1Confident90.4Very high24 Ų2473.2 Ų73.217%0.16838%0.382CS..Hα-helixtrans-54.5-54.3-172.6179.60000112.9Y443 S444 M450 K451 K452Y443-S448 WeakPolarHBondContact CB-OG 3.36Å; S444-S448 WeakPolarHBondContact O-CB 3.41Å; S444-S448 PolarHBondContact O-N 2.88Å; S448-M450 VanDerWaalsContact C-N 3.3Å; S448-M450 PolarHBondContact O-N 3.41Å; S448-K451 PolarHBondContact O-N 2.88Å; S448-K451 VanDerWaalsContact O-N 3.12Å; S448-K452 WeakPolarHBondContact O-CG 3.27Å; S448-K452 PolarHBondContact O-N 2.86Å
449N89Confident90.5Very high115 Ų11572.6 Ų72.662%0.61538%0.378SS*.Hα-helixtrans-62.8-36.4-177.4-71.1-0.7000112.6G447 L453G447-N449 PolarHBondContact O-N 3.09Å; N449-L453 WeakPolarHBondContact O-CB 2.93Å; N449-L453 PolarHBondContact O-N 3.2Å
450M92.4Very high90.6Very high129 Ų12971.4 Ų71.464%0.63537%0.372SS*.Hα-helixtrans-65.4-42.2176.3-66-177.573.500111.4G447 S448 L453 E454G447-M450 PolarHBondContact O-N 3.43Å; S448-M450 VanDerWaalsContact C-N 3.3Å; S448-M450 PolarHBondContact O-N 3.41Å; M450-L453 PolarHBondContact O-N 2.84Å; M450-E454 WeakPolarHBondContact O-CG 2.87Å; M450-E454 PolarHBondContact O-N 2.79Å
451K94.6Very high90.9Very high76 Ų7668.3 Ų68.333%0.3336%0.36SS..Hα-helixtrans-67.6-41.5178.7-67.7-42.2-158.8160.60113.1N439 Y443 G447 S448 E454 N455N439-K451 HydrophobicContact CB-CB 3.93Å; N439-K451 HydrophobicContact CB-CD 4.27Å; N439-K451 HydrophobicContact CB-CG 4.37Å; N439-K451 PolarHBondContact ND2-O 3.23Å; N439-K451 WeakPolarHBondContact OD1-CD 3.4Å; N439-K451 WeakPolarHBondContact OD1-CE 3.32Å; N439-K451 PolarHBondContact OD1-NZ 3.41Å; Y443-K451 HydrophobicContact CD1-CB 3.81Å; Y443-K451 HydrophobicContact CD1-CG 4.43Å; Y443-K451 HydrophobicContact CE1-CB 3.95Å; G447-K451 WeakPolarHBondContact O-CG 3.43Å; G447-K451 PolarHBondContact O-N 3.23Å; S448-K451 PolarHBondContact O-N 2.88Å; S448-K451 VanDerWaalsContact O-N 3.12Å; K451-E454 WeakPolarHBondContact CD-OE2 3.43Å; K451-E454 IonicContact NZ-OE1 3.31Å; K451-E454 IonicContact NZ-OE2 2.76Å; K451-E454 PolarHBondContact NZ-OE2 3.16Å; K451-E454 PolarHBondContact O-N 3.38Å; K451-N455 PolarHBondContact O-N 3.04Å; K451-N455 VanDerWaalsContact O-N 3.15Å
452K95.1Very high91.4Very high34 Ų3465.1 Ų65.115%0.14834%0.338CS..Hα-helixtrans-62.8-43.2172.6-65-168.1177.8-1590111.4D417 D418 Y443 S448 E454 N455 C456 N480D417-K452 IonicContact OD1-NZ 2.65Å; D417-K452 PolarHBondContact OD1-NZ 3.03Å; D417-K452 IonicContact OD2-NZ 3.33Å; D417-K452 PolarHBondContact OD2-NZ 2.79Å; D418-K452 HydrophobicContact CB-CB 4.23Å; D418-K452 HydrophobicContact CB-CD 3.91Å; D418-K452 HydrophobicContact CB-CG 3.69Å; Y443-K452 HydrophobicContact CD2-CG 4.39Å; Y443-K452 HydrophobicContact CE2-CG 4.11Å; S448-K452 WeakPolarHBondContact O-CG 3.27Å; S448-K452 PolarHBondContact O-N 2.86Å; K452-E454 PolarHBondContact O-N 2.73Å; K452-N455 WeakPolarHBondContact O-CB 3.49Å; K452-N455 PolarHBondContact O-N 2.77Å; K452-C456 PolarHBondContact O-N 2.98Å; K452-C456 PolarHBondContact O-SG 3.2Å; K452-C456 VanDerWaalsContact O-SG 3.39Å; K452-N480 WeakPolarHBondContact CB-ND2 3.35Å
453L96.3Very high91.9Very high57 Ų5758.9 Ų58.930%0.29830%0.298SS..Hα-helixtrans-63.9-40.8177.5-177.761.8000112.7N449 M450 N455 C456 N457 Q477 N480N449-L453 WeakPolarHBondContact O-CB 2.93Å; N449-L453 PolarHBondContact O-N 3.2Å; M450-L453 PolarHBondContact O-N 2.84Å; L453-N455 VanDerWaalsContact C-N 3.33Å; L453-N455 PolarHBondContact O-N 3.33Å; L453-C456 PolarHBondContact O-N 3.48Å; L453-N457 WeakPolarHBondContact O-CB 3.32Å; L453-N457 VanDerWaalsContact O-CG 3.27Å; L453-N457 PolarHBondContact O-N 3.09Å; L453-N457 PolarHBondContact O-ND2 3.35Å; L453-N457 VanDerWaalsContact O-ND2 3.12Å; L453-Q477 HydrophobicContact CD1-CB 4.04Å; L453-N480 HydrophobicContact CD1-CB 4.46Å
454E96.8Very high92.3Very high88 Ų8861.1 Ų61.141%0.41131%0.308SS..Hα-helixtrans-56.1-47.3172-77.9170.8-169.900111.1N439 M450 K451 K452 N457 Y458N439-E454 PolarHBondContact ND2-OE2 3.02Å; M450-E454 WeakPolarHBondContact O-CG 2.87Å; M450-E454 PolarHBondContact O-N 2.79Å; K451-E454 WeakPolarHBondContact CD-OE2 3.43Å; K451-E454 IonicContact NZ-OE1 3.31Å; K451-E454 IonicContact NZ-OE2 2.76Å; K451-E454 PolarHBondContact NZ-OE2 3.16Å; K451-E454 PolarHBondContact O-N 3.38Å; K452-E454 PolarHBondContact O-N 2.73Å; E454-N457 PolarHBondContact O-N 2.94Å; E454-Y458 PolarHBondContact O-N 3.35Å
455N98Very high92.7Very high0 Ų062.8 Ų62.80%031%0.306CS..Hα-helixtrans-61.3-49.9175.9-72.2-2000111.9D418 A419 F423 N439 K451 K452 L453 N457 Y458 A459D418-N455 WeakPolarHBondContact O-CB 3.36Å; D418-N455 PolarHBondContact O-ND2 3.3Å; A419-N455 HydrophobicContact CB-CB 4.3Å; F423-N455 HydrophobicContact CE2-CB 3.89Å; F423-N455 HydrophobicContact CZ-CB 4.27Å; F423-N455 VanDerWaalsContact CZ-O 3.26Å; F423-N455 WeakPolarHBondContact CZ-O 3.49Å; N439-N455 WeakPolarHBondContact CB-OD1 3.28Å; N439-N455 PolarHBondContact N-OD1 2.86Å; N439-N455 PolarHBondContact ND2-OD1 3.27Å; N439-N455 PolarHBondContact O-ND2 2.72Å; K451-N455 PolarHBondContact O-N 3.04Å; K451-N455 VanDerWaalsContact O-N 3.15Å; K452-N455 WeakPolarHBondContact O-CB 3.49Å; K452-N455 PolarHBondContact O-N 2.77Å; L453-N455 VanDerWaalsContact C-N 3.33Å; L453-N455 PolarHBondContact O-N 3.33Å; N455-N457 VanDerWaalsContact C-N 3.3Å; N455-N457 PolarHBondContact O-N 2.78Å; N455-Y458 PolarHBondContact O-N 3.05Å; N455-Y458 VanDerWaalsContact O-N 3.09Å; N455-A459 PolarHBondContact O-N 3.45Å
456C98.1Very high93.4Very high0 Ų057.8 Ų57.80%029%0.286CS..Hα-helixtrans-61.2-38.4179.9-70.60000112.4D417 K452 L453 A459 V460 G476 L479 N480D417-C456 PolarHBondContact O-SG 3.26Å; K452-C456 PolarHBondContact O-N 2.98Å; K452-C456 PolarHBondContact O-SG 3.2Å; K452-C456 VanDerWaalsContact O-SG 3.39Å; L453-C456 PolarHBondContact O-N 3.48Å; C456-A459 PolarHBondContact O-N 3.28Å; C456-V460 WeakPolarHBondContact O-CG2 3.26Å; C456-V460 PolarHBondContact O-N 3.44Å; C456-G476 WeakPolarHBondContact CB-O 3.38Å; C456-L479 HydrophobicContact CB-CB 4.1Å; C456-N480 HydrophobicContact CB-CB 4.41Å
457N97.9Very high94.2Very high77 Ų7749.5 Ų49.541%0.41224%0.243SC..Hα-helixtrans-62.5-43.2173.6-76.4-35.5000111.6L453 E454 N455 V460 E461 G476L453-N457 WeakPolarHBondContact O-CB 3.32Å; L453-N457 VanDerWaalsContact O-CG 3.27Å; L453-N457 PolarHBondContact O-N 3.09Å; L453-N457 PolarHBondContact O-ND2 3.35Å; L453-N457 VanDerWaalsContact O-ND2 3.12Å; E454-N457 PolarHBondContact O-N 2.94Å; N455-N457 VanDerWaalsContact C-N 3.3Å; N455-N457 PolarHBondContact O-N 2.78Å; N457-V460 PolarHBondContact O-N 2.77Å; N457-E461 PolarHBondContact O-N 2.91Å; N457-G476 VanDerWaalsContact OD1-CA 3.24Å; N457-G476 WeakPolarHBondContact OD1-CA 3.48Å; N457-G476 PolarHBondContact OD1-N 3.2Å; N457-G476 VanDerWaalsContact OD1-N 3.16Å
458Y98.3Very high94.8Very high26 Ų2656 Ų5610%0.10227%0.266CS..Hα-helixtrans-65.8-39.5176.7-179.2-136.3000112.1F423 V433 D434 R437 V438 E454 N455 V460 E461 L462F423-Y458 HydrophobicContact CD1-CD1 4.47Å; F423-Y458 AromaticContact CE1-CD1 3.43Å; F423-Y458 HydrophobicContact CE1-CD1 3.43Å; F423-Y458 VanDerWaalsContact CE1-CD1 3.43Å; F423-Y458 AromaticContact CE1-CE1 3.9Å; F423-Y458 HydrophobicContact CE1-CE1 3.9Å; F423-Y458 HydrophobicContact CE1-CG 4.12Å; F423-Y458 AromaticContact CZ-CD1 3.51Å; F423-Y458 HydrophobicContact CZ-CD1 3.51Å; F423-Y458 HydrophobicContact CZ-CE1 4.32Å; F423-Y458 HydrophobicContact CZ-CG 4.2Å; V433-Y458 HydrophobicContact CG1-CE1 4.1Å; D434-Y458 VanDerWaalsContact CB-OH 3.31Å; D434-Y458 WeakPolarHBondContact CB-OH 3.34Å; D434-Y458 PolarHBondContact N-OH 2.96Å; R437-Y458 HydrophobicContact CB-CD1 4.44Å; R437-Y458 HydrophobicContact CB-CE1 4.28Å; V438-Y458 HydrophobicContact CG2-CD1 4.2Å; V438-Y458 HydrophobicContact CG2-CE1 4.14Å; E454-Y458 PolarHBondContact O-N 3.35Å; N455-Y458 PolarHBondContact O-N 3.05Å; N455-Y458 VanDerWaalsContact O-N 3.09Å; Y458-V460 VanDerWaalsContact C-N 3.34Å; Y458-V460 PolarHBondContact O-N 2.88Å; Y458-E461 WeakPolarHBondContact O-CB 3.07Å; Y458-E461 PolarHBondContact O-N 2.88Å; Y458-E461 VanDerWaalsContact O-N 3.16Å; Y458-L462 HydrophobicContact CD1-CD1 4.48Å; Y458-L462 HydrophobicContact CD2-CG 4.18Å; Y458-L462 HydrophobicContact CE1-CD1 3.99Å; Y458-L462 HydrophobicContact CE2-CD1 4.09Å; Y458-L462 HydrophobicContact CE2-CD2 3.79Å; Y458-L462 HydrophobicContact CE2-CG 3.7Å; Y458-L462 WeakPolarHBondContact O-CG 3.47Å; Y458-L462 PolarHBondContact O-N 3.39Å
459A98Very high95.2Very high0 Ų055.7 Ų55.70%026%0.262CS..Hα-helixtrans-61.5-40174.600000112.5A419 I422 F423 Y426 N455 C456 G463A419-A459 HydrophobicContact CB-CB 3.8Å; I422-A459 HydrophobicContact CG2-CB 4.1Å; F423-A459 HydrophobicContact CE1-CB 3.86Å; F423-A459 HydrophobicContact CZ-CB 4.09Å; Y426-A459 HydrophobicContact CE2-CB 4.25Å; Y426-A459 WeakPolarHBondContact CE2-O 3.43Å; Y426-A459 PolarHBondContact OH-O 2.63Å; N455-A459 PolarHBondContact O-N 3.45Å; C456-A459 PolarHBondContact O-N 3.28Å; A459-G463 PolarHBondContact O-N 2.71Å; A459-G463 VanDerWaalsContact O-N 3.09Å
460V97.6Very high95.3Very high7 Ų754.4 Ų54.44%0.04226%0.262CS..Hα-helixtrans-68.2-38.2173.8172.60000111.4C456 N457 Y458 G463 K464 L471 I474 L479C456-V460 WeakPolarHBondContact O-CG2 3.26Å; C456-V460 PolarHBondContact O-N 3.44Å; N457-V460 PolarHBondContact O-N 2.77Å; Y458-V460 VanDerWaalsContact C-N 3.34Å; Y458-V460 PolarHBondContact O-N 2.88Å; V460-G463 PolarHBondContact O-N 2.89Å; V460-K464 HydrophobicContact CG1-CD 4.09Å; V460-K464 WeakPolarHBondContact O-CG 3.22Å; V460-K464 PolarHBondContact O-N 3.46Å; V460-L471 HydrophobicContact CG1-CD1 4.42Å; V460-I474 WeakPolarHBondContact CG1-O 3.4Å; V460-I474 HydrophobicContact CG2-CG2 4.19Å; V460-L479 HydrophobicContact CG2-CD1 3.7Å; V460-L479 HydrophobicContact CG2-CG 4.43Å
461E97.1Very high95.3Very high64 Ų6448.4 Ų48.430%0.29923%0.232SC..Hα-helixtrans-59.9-50.2175.1-178.6-179.4-174.900111.5N457 Y458 G463 K464 K465N457-E461 PolarHBondContact O-N 2.91Å; Y458-E461 WeakPolarHBondContact O-CB 3.07Å; Y458-E461 PolarHBondContact O-N 2.88Å; Y458-E461 VanDerWaalsContact O-N 3.16Å; E461-G463 VanDerWaalsContact C-N 3.29Å; E461-G463 PolarHBondContact O-N 3.37Å; E461-K464 PolarHBondContact O-N 2.75Å; E461-K465 HydrophobicContact CG-CD 3.76Å; E461-K465 HydrophobicContact CG-CG 4.27Å; E461-K465 WeakPolarHBondContact O-CB 3.27Å; E461-K465 PolarHBondContact O-N 3.43Å; E461-K465 WeakPolarHBondContact OE1-CE 3.28Å; E461-K465 IonicContact OE1-NZ 2.73Å; E461-K465 PolarHBondContact OE1-NZ 3Å
462L97.3Very high95Very high8 Ų851.1 Ų51.14%0.04226%0.255CS..Hα-helixtrans-57.5-44.1176-72.6177.4000111.5F423 Y426 V433 Y458 K464 E466 A467F423-L462 HydrophobicContact CD1-CD1 3.97Å; F423-L462 HydrophobicContact CE1-CD1 3.93Å; Y426-L462 HydrophobicContact CD2-CB 4.41Å; Y426-L462 HydrophobicContact CD2-CD1 4.14Å; Y426-L462 HydrophobicContact CE1-CB 4.47Å; Y426-L462 HydrophobicContact CE2-CB 4.06Å; Y426-L462 HydrophobicContact CE2-CD1 4.43Å; V433-L462 HydrophobicContact CG1-CD1 4.37Å; V433-L462 HydrophobicContact CG2-CD1 4.03Å; Y458-L462 HydrophobicContact CD1-CD1 4.48Å; Y458-L462 HydrophobicContact CD2-CG 4.18Å; Y458-L462 HydrophobicContact CE1-CD1 3.99Å; Y458-L462 HydrophobicContact CE2-CD1 4.09Å; Y458-L462 HydrophobicContact CE2-CD2 3.79Å; Y458-L462 HydrophobicContact CE2-CG 3.7Å; Y458-L462 WeakPolarHBondContact O-CG 3.47Å; Y458-L462 PolarHBondContact O-N 3.39Å; L462-K464 PolarHBondContact O-N 3.07Å; L462-E466 HydrophobicContact CD2-CB 4.46Å; L462-E466 HydrophobicContact CD2-CG 3.74Å; L462-E466 WeakPolarHBondContact O-CA 3.43Å; L462-E466 WeakPolarHBondContact O-CB 3.32Å; L462-E466 PolarHBondContact O-N 3.19Å; L462-A467 PolarHBondContact O-N 3.49Å
463G95.9Very high94.7Very high0 Ų052.7 Ų52.70%028%0.281CS..Hα-helixtrans-56.8-47.5176.400000112.3Y426 A459 V460 E461 A467 K468 F469Y426-G463 WeakPolarHBondContact OH-CA 3.4Å; Y426-G463 PolarHBondContact OH-N 3.29Å; Y426-G463 VanDerWaalsContact OH-N 3.11Å; A459-G463 PolarHBondContact O-N 2.71Å; A459-G463 VanDerWaalsContact O-N 3.09Å; V460-G463 PolarHBondContact O-N 2.89Å; E461-G463 VanDerWaalsContact C-N 3.29Å; E461-G463 PolarHBondContact O-N 3.37Å; G463-A467 CarbonylContact O-C 3.41Å; G463-K468 PolarHBondContact O-N 3.42Å; G463-F469 WeakPolarHBondContact O-CB 3.1Å; G463-F469 PolarHBondContact O-N 3.23Å
464K94.4Very high94.5Very high91 Ų9150.4 Ų50.440%0.39627%0.269SS..Hα-helixtrans-71.9-49.2-179.8-70.8175.8-177.4169.70112.6V460 E461 L462 L471 I474V460-K464 HydrophobicContact CG1-CD 4.09Å; V460-K464 WeakPolarHBondContact O-CG 3.22Å; V460-K464 PolarHBondContact O-N 3.46Å; E461-K464 PolarHBondContact O-N 2.75Å; L462-K464 PolarHBondContact O-N 3.07Å; K464-L471 HydrophobicContact CD-CB 4.41Å; K464-L471 WeakPolarHBondContact CE-O 3.32Å; K464-L471 HydrophobicContact CG-CB 3.91Å; K464-L471 HydrophobicContact CG-CD1 4.15Å; K464-L471 HydrophobicContact CG-CG 4.43Å; K464-L471 PolarHBondContact NZ-O 2.98Å; K464-I474 PolarHBondContact NZ-O 3.05Å
465K93.3Very high94.4Very high112 Ų11248.3 Ų48.349%0.48727%0.266SS..Hα-helixtrans-86.6-48.4-168.3-68.2-173-177.3172.70113.1E461 K468E461-K465 HydrophobicContact CG-CD 3.76Å; E461-K465 HydrophobicContact CG-CG 4.27Å; E461-K465 WeakPolarHBondContact O-CB 3.27Å; E461-K465 PolarHBondContact O-N 3.43Å; E461-K465 WeakPolarHBondContact OE1-CE 3.28Å; E461-K465 IonicContact OE1-NZ 2.73Å; E461-K465 PolarHBondContact OE1-NZ 3Å; K465-K468 WeakPolarHBondContact O-CD 3.25Å; K465-K468 WeakPolarHBondContact O-CE 3.47Å; K465-K468 PolarHBondContact O-NZ 2.86Å
466E92.4Very high94.3Very high114 Ų11448.3 Ų48.353%0.53327%0.266SS..THydrogen-bonded Turntrans-91-52.3-173.8-55.6-51.5138.100110.5V431 L462 K468V431-E466 HydrophobicContact CG1-CB 3.84Å; L462-E466 HydrophobicContact CD2-CB 4.46Å; L462-E466 HydrophobicContact CD2-CG 3.74Å; L462-E466 WeakPolarHBondContact O-CA 3.43Å; L462-E466 WeakPolarHBondContact O-CB 3.32Å; L462-E466 PolarHBondContact O-N 3.19Å; E466-K468 VanDerWaalsContact C-N 3.34Å; E466-K468 PolarHBondContact O-N 3.16Å
467A90.8Very high94.2Very high0 Ų054.9 Ų54.90%030%0.297CS..SBendtrans-78.6-15.3-177.700000113.6Y426 V431 L462 G463 F469 R497Y426-A467 HydrophobicContact CE1-CB 4.13Å; V431-A467 HydrophobicContact CG2-CB 3.97Å; L462-A467 PolarHBondContact O-N 3.49Å; G463-A467 CarbonylContact O-C 3.41Å; A467-F469 VanDerWaalsContact C-N 3.3Å; A467-F469 HydrophobicContact CB-CD1 3.96Å; A467-F469 HydrophobicContact CB-CD2 3.98Å; A467-F469 HydrophobicContact CB-CE1 3.81Å; A467-F469 HydrophobicContact CB-CE2 3.82Å; A467-F469 HydrophobicContact CB-CG 4.05Å; A467-F469 HydrophobicContact CB-CZ 3.74Å; A467-F469 PolarHBondContact O-N 3.37Å; A467-R497 PolarHBondContact O-NH2 3.15Å
468K91.8Very high94.1Very high154 Ų15453 Ų5367%0.6729%0.287SS*.  trans57.837.4-177.8-50.4-58.8-174.3-167.80113.8G463 K465 E466G463-K468 PolarHBondContact O-N 3.42Å; K465-K468 WeakPolarHBondContact O-CD 3.25Å; K465-K468 WeakPolarHBondContact O-CE 3.47Å; K465-K468 PolarHBondContact O-NZ 2.86Å; E466-K468 VanDerWaalsContact C-N 3.34Å; E466-K468 PolarHBondContact O-N 3.16Å
469F93.8Very high93.9Very high18 Ų1852 Ų528%0.07928%0.283CS..  trans-73.7148.8173.8-67.1-17.5000112.2Y426 I429 G463 A467 L471 L490 Q493 L494 R497Y426-F469 AromaticContact CE1-CE2 3.88Å; Y426-F469 HydrophobicContact CE1-CE2 3.88Å; I429-F469 HydrophobicContact CD1-CE2 4.48Å; I429-F469 HydrophobicContact CD1-CZ 3.82Å; G463-F469 WeakPolarHBondContact O-CB 3.1Å; G463-F469 PolarHBondContact O-N 3.23Å; A467-F469 VanDerWaalsContact C-N 3.3Å; A467-F469 HydrophobicContact CB-CD1 3.96Å; A467-F469 HydrophobicContact CB-CD2 3.98Å; A467-F469 HydrophobicContact CB-CE1 3.81Å; A467-F469 HydrophobicContact CB-CE2 3.82Å; A467-F469 HydrophobicContact CB-CG 4.05Å; A467-F469 HydrophobicContact CB-CZ 3.74Å; A467-F469 PolarHBondContact O-N 3.37Å; F469-L471 HydrophobicContact CB-CD1 4.04Å; F469-L471 HydrophobicContact CB-CD2 4.14Å; F469-L471 HydrophobicContact CB-CG 3.74Å; F469-L471 HydrophobicContact CD2-CD1 4.5Å; F469-L471 PolarHBondContact O-N 3.48Å; F469-L490 HydrophobicContact CD2-CD1 3.98Å; F469-L490 HydrophobicContact CE2-CD1 4.31Å; F469-Q493 VanDerWaalsContact CA-OE1 3.32Å; F469-Q493 HydrophobicContact CD1-CB 4.04Å; F469-Q493 HydrophobicContact CD2-CB 4.15Å; F469-Q493 HydrophobicContact CE1-CB 4.19Å; F469-Q493 HydrophobicContact CE2-CB 4.3Å; F469-Q493 HydrophobicContact CG-CB 4.02Å; F469-Q493 HydrophobicContact CZ-CB 4.32Å; F469-L494 HydrophobicContact CE2-CD2 3.61Å; F469-L494 HydrophobicContact CE2-CG 3.94Å; F469-L494 HydrophobicContact CZ-CD2 3.97Å; F469-L494 HydrophobicContact CZ-CG 4.39Å; F469-R497 HydrophobicContact CE1-CB 3.92Å; F469-R497 HydrophobicContact CE1-CG 4.4Å; F469-R497 HydrophobicContact CZ-CB 4.09Å
470S92.4Very high93.8Very high87 Ų8753.4 Ų53.461%0.60829%0.291SS*.  trans-84.191171.1-172.50000108.8Q493S470-Q493 PolarHBondContact O-NE2 2.76Å
471L92.1Very high93.5Very high3 Ų356.9 Ų56.92%0.01632%0.321CS..  trans-112.740.1-178.5-59.3178.6000110.8V460 K464 F469 G473 I474 L490V460-L471 HydrophobicContact CG1-CD1 4.42Å; K464-L471 HydrophobicContact CD-CB 4.41Å; K464-L471 WeakPolarHBondContact CE-O 3.32Å; K464-L471 HydrophobicContact CG-CB 3.91Å; K464-L471 HydrophobicContact CG-CD1 4.15Å; K464-L471 HydrophobicContact CG-CG 4.43Å; K464-L471 PolarHBondContact NZ-O 2.98Å; F469-L471 HydrophobicContact CB-CD1 4.04Å; F469-L471 HydrophobicContact CB-CD2 4.14Å; F469-L471 HydrophobicContact CB-CG 3.74Å; F469-L471 HydrophobicContact CD2-CD1 4.5Å; F469-L471 PolarHBondContact O-N 3.48Å; L471-G473 PolarHBondContact O-N 2.74Å; L471-I474 HydrophobicContact CB-CB 4.23Å; L471-I474 HydrophobicContact CB-CD1 4.41Å; L471-I474 HydrophobicContact CD2-CD1 3.75Å; L471-I474 PolarHBondContact O-N 3.09Å; L471-L490 HydrophobicContact CD1-CD1 4.04Å; L471-L490 HydrophobicContact CD2-CB 4.44Å; L471-L490 HydrophobicContact CD2-CD1 3.81Å
472V87.4Confident93.2Very high134 Ų13454.7 Ų54.781%0.81232%0.315SS*.THydrogen-bonded Turntrans-65.3125.4177.9-177.20000108.7I474V472-I474 VanDerWaalsContact C-N 3.28Å; V472-I474 PolarHBondContact O-N 3.11Å
473G88.3Confident93Very high67 Ų6757.3 Ų57.369%0.69133%0.329SS*.THydrogen-bonded Turntrans77.36.1-177.300000115.3L471L471-G473 PolarHBondContact O-N 2.74Å
474I93.5Very high92.8Very high8 Ų862.2 Ų62.24%0.04135%0.348CS..  trans-103.2126.1173.2-56176.3000109.4V460 K464 L471 V472 L486 A489V460-I474 WeakPolarHBondContact CG1-O 3.4Å; V460-I474 HydrophobicContact CG2-CG2 4.19Å; K464-I474 PolarHBondContact NZ-O 3.05Å; L471-I474 HydrophobicContact CB-CB 4.23Å; L471-I474 HydrophobicContact CB-CD1 4.41Å; L471-I474 HydrophobicContact CD2-CD1 3.75Å; L471-I474 PolarHBondContact O-N 3.09Å; V472-I474 VanDerWaalsContact C-N 3.28Å; V472-I474 PolarHBondContact O-N 3.11Å; I474-L486 HydrophobicContact CD1-CB 4.41Å; I474-L486 HydrophobicContact CD1-CD2 4.46Å; I474-L486 HydrophobicContact CG1-CB 4.17Å; I474-L486 HydrophobicContact CG1-CD1 4.48Å; I474-L486 HydrophobicContact CG1-CD2 3.98Å; I474-L486 HydrophobicContact CG1-CG 4.42Å; I474-A489 HydrophobicContact CD1-CB 4.3Å
475A94.8Very high92.7Very high44 Ų4462.8 Ų62.836%0.36436%0.359SS..  trans-121.6166.4173.800000111.2Q477 D478A475-Q477 PolarHBondContact O-N 3.02Å; A475-D478 PolarHBondContact N-OD2 2.82Å; A475-D478 WeakPolarHBondContact O-CB 3.3Å; A475-D478 PolarHBondContact O-N 3.16Å; A475-D478 VanDerWaalsContact O-N 3.14Å
476G95.4Very high92.8Very high0 Ų059.4 Ų59.40%035%0.346CS..Hα-helixtrans-64-26.7179.400000113.3C456 N457 D478 L479 N480C456-G476 WeakPolarHBondContact CB-O 3.38Å; N457-G476 VanDerWaalsContact OD1-CA 3.24Å; N457-G476 WeakPolarHBondContact OD1-CA 3.48Å; N457-G476 PolarHBondContact OD1-N 3.2Å; N457-G476 VanDerWaalsContact OD1-N 3.16Å; G476-D478 VanDerWaalsContact C-N 3.29Å; G476-D478 PolarHBondContact O-N 2.91Å; G476-L479 PolarHBondContact O-N 3.42Å; G476-N480 WeakPolarHBondContact O-CB 3.43Å; G476-N480 PolarHBondContact O-N 3.4Å
477Q96.3Very high92.9Very high138 Ų13854.1 Ų54.165%0.64532%0.321SS*.Hα-helixtrans-63.2-35.9174.9-176.8177.7-3.300112L453 A475 L479 N480 A481L453-Q477 HydrophobicContact CD1-CB 4.04Å; A475-Q477 PolarHBondContact O-N 3.02Å; Q477-L479 VanDerWaalsContact C-N 3.34Å; Q477-L479 PolarHBondContact O-N 3.21Å; Q477-N480 PolarHBondContact O-N 3.36Å; Q477-A481 WeakPolarHBondContact O-CB 3.45Å; Q477-A481 PolarHBondContact O-N 3.08Å
478D95.6Very high93.1Very high39 Ų3955 Ų5521%0.20933%0.326CS..Hα-helixtrans-66.1-39.3179.9-58.3-59.1000111.6A475 G476 G482 N483 L486A475-D478 PolarHBondContact N-OD2 2.82Å; A475-D478 WeakPolarHBondContact O-CB 3.3Å; A475-D478 PolarHBondContact O-N 3.16Å; A475-D478 VanDerWaalsContact O-N 3.14Å; G476-D478 VanDerWaalsContact C-N 3.29Å; G476-D478 PolarHBondContact O-N 2.91Å; D478-G482 PolarHBondContact O-N 3.44Å; D478-N483 HydrophobicContact CB-CB 4.2Å; D478-N483 VanDerWaalsContact O-CB 3.25Å; D478-N483 WeakPolarHBondContact O-CB 3.23Å; D478-N483 PolarHBondContact O-N 2.93Å; D478-L486 HydrophobicContact CB-CB 4.31Å; D478-L486 HydrophobicContact CB-CD1 3.64Å; D478-L486 VanDerWaalsContact CG-CD1 3.42Å
479L94.8Very high93.1Very high3 Ų349.1 Ų49.12%0.01631%0.306CS..Hα-helixtrans-70.2-46.6175.5-60.7-179.2000111.1I422 C456 V460 G476 Q477 A481 G482 L490I422-L479 HydrophobicContact CD1-CD1 4.16Å; C456-L479 HydrophobicContact CB-CB 4.1Å; V460-L479 HydrophobicContact CG2-CD1 3.7Å; V460-L479 HydrophobicContact CG2-CG 4.43Å; G476-L479 PolarHBondContact O-N 3.42Å; Q477-L479 VanDerWaalsContact C-N 3.34Å; Q477-L479 PolarHBondContact O-N 3.21Å; L479-A481 VanDerWaalsContact C-N 3.28Å; L479-A481 PolarHBondContact O-N 2.99Å; L479-G482 PolarHBondContact O-N 2.76Å; L479-L490 HydrophobicContact CD1-CD2 3.74Å; L479-L490 HydrophobicContact CD2-CD2 3.97Å
480N95.1Very high93.2Very high31 Ų3148.3 Ų48.317%0.16630%0.303CS..Hα-helixtrans-67-28.9-179.4-178.9-122.9000113.1D417 K452 L453 C456 G476 Q477 G482D417-N480 WeakPolarHBondContact O-CA 3.18Å; D417-N480 PolarHBondContact O-ND2 3.15Å; K452-N480 WeakPolarHBondContact CB-ND2 3.35Å; L453-N480 HydrophobicContact CD1-CB 4.46Å; C456-N480 HydrophobicContact CB-CB 4.41Å; G476-N480 WeakPolarHBondContact O-CB 3.43Å; G476-N480 PolarHBondContact O-N 3.4Å; Q477-N480 PolarHBondContact O-N 3.36Å; N480-G482 VanDerWaalsContact C-N 3.29Å
481A92.1Very high93.4Very high80 Ų8044.2 Ų44.266%0.66127%0.274SS*.THydrogen-bonded Turntrans-82.9-1.3173.400000113.6Q477 L479Q477-A481 WeakPolarHBondContact O-CB 3.45Å; Q477-A481 PolarHBondContact O-N 3.08Å; L479-A481 VanDerWaalsContact C-N 3.28Å; L479-A481 PolarHBondContact O-N 2.99Å
482G90.4Very high93.4Very high18 Ų1845.6 Ų45.619%0.18628%0.279CS..THydrogen-bonded Turntrans69.133.5179.500000114.3D478 L479 N480 R484D478-G482 PolarHBondContact O-N 3.44Å; L479-G482 PolarHBondContact O-N 2.76Å; N480-G482 VanDerWaalsContact C-N 3.29Å; G482-R484 PolarHBondContact O-N 3.11Å
483N92.9Very high93.7Very high62 Ų6241 Ų4133%0.33225%0.249SC..  trans-62.1112.3179-175.8-48.7000110.7D478 T485 L486 T487D478-N483 HydrophobicContact CB-CB 4.2Å; D478-N483 VanDerWaalsContact O-CB 3.25Å; D478-N483 WeakPolarHBondContact O-CB 3.23Å; D478-N483 PolarHBondContact O-N 2.93Å; N483-T485 PolarHBondContact O-N 3.19Å; N483-T485 PolarHBondContact OD1-N 3.28Å; N483-L486 HydrophobicContact CB-CB 4.37Å; N483-L486 PolarHBondContact O-N 3.15Å; N483-L486 PolarHBondContact OD1-N 3.41Å; N483-T487 WeakPolarHBondContact O-CB 3.3Å; N483-T487 PolarHBondContact O-N 3.47Å; N483-T487 PolarHBondContact O-OG1 2.87Å
484R91.8Very high94Very high104 Ų10437.8 Ų37.839%0.39222%0.216SC..Hα-helixtrans-52.8-55.4-172.7-63.8-162.5172.4170-5.2112.9E387 Y413 G482 L486 L488E387-R484 IonicContact OE2-NH1 3.6Å; E387-R484 PolarHBondContact OE2-NH1 3.28Å; Y413-R484 HydrophobicContact CD2-CG 4.09Å; Y413-R484 HydrophobicContact CE1-CB 4.11Å; Y413-R484 HydrophobicContact CE1-CG 4.18Å; Y413-R484 HydrophobicContact CE2-CB 4.22Å; Y413-R484 HydrophobicContact CE2-CG 3.55Å; Y413-R484 WeakPolarHBondContact OH-CB 3.4Å; G482-R484 PolarHBondContact O-N 3.11Å; R484-L486 PolarHBondContact O-N 3.3Å; R484-L488 WeakPolarHBondContact O-CB 3.46Å; R484-L488 VanDerWaalsContact O-CG 3.23Å; R484-L488 WeakPolarHBondContact O-CG 3.38Å; R484-L488 PolarHBondContact O-N 3.1Å
485T91.9Very high93.9Very high103 Ų10337.5 Ų37.563%0.63221%0.214SC*.Hα-helixtrans-64-45.9-174.3-55.40000112.5N483 A489N483-T485 PolarHBondContact O-N 3.19Å; N483-T485 PolarHBondContact OD1-N 3.28Å; T485-A489 WeakPolarHBondContact O-CB 3.36Å; T485-A489 PolarHBondContact O-N 3.06Å
486L94.9Very high93.7Very high40 Ų4039.1 Ų39.121%0.20921%0.211CC..Hα-helixtrans-74.5-34.1-174.8-59.2-176.4000111.8I474 D478 N483 R484 A489 L490I474-L486 HydrophobicContact CD1-CB 4.41Å; I474-L486 HydrophobicContact CD1-CD2 4.46Å; I474-L486 HydrophobicContact CG1-CB 4.17Å; I474-L486 HydrophobicContact CG1-CD1 4.48Å; I474-L486 HydrophobicContact CG1-CD2 3.98Å; I474-L486 HydrophobicContact CG1-CG 4.42Å; D478-L486 HydrophobicContact CB-CB 4.31Å; D478-L486 HydrophobicContact CB-CD1 3.64Å; D478-L486 VanDerWaalsContact CG-CD1 3.42Å; N483-L486 HydrophobicContact CB-CB 4.37Å; N483-L486 PolarHBondContact O-N 3.15Å; N483-L486 PolarHBondContact OD1-N 3.41Å; R484-L486 PolarHBondContact O-N 3.3Å; L486-A489 PolarHBondContact O-N 3.01Å; L486-L490 PolarHBondContact O-N 2.82Å; L486-L490 VanDerWaalsContact O-N 3.16Å
487T95Very high93.4Very high3 Ų342.6 Ų42.62%0.01822%0.224CC..Hα-helixtrans-63.9-49.9173.2-59.40000111Y413 I416 N483 A489 L490 L491Y413-T487 HydrophobicContact CD1-CG2 3.95Å; Y413-T487 HydrophobicContact CE1-CG2 4.04Å; I416-T487 HydrophobicContact CD1-CG2 3.49Å; I416-T487 VanDerWaalsContact CD1-CG2 3.49Å; I416-T487 HydrophobicContact CG1-CG2 4.38Å; N483-T487 WeakPolarHBondContact O-CB 3.3Å; N483-T487 PolarHBondContact O-N 3.47Å; N483-T487 PolarHBondContact O-OG1 2.87Å; T487-A489 VanDerWaalsContact C-N 3.27Å; T487-A489 PolarHBondContact O-N 3.19Å; T487-L490 PolarHBondContact O-N 2.81Å; T487-L490 VanDerWaalsContact O-N 3.16Å; T487-L491 HydrophobicContact CG2-CD1 4.02Å; T487-L491 HydrophobicContact CG2-CG 4.47Å; T487-L491 WeakPolarHBondContact O-CG 3.41Å; T487-L491 PolarHBondContact O-N 2.9Å
488L93.9Very high93Very high18 Ų1837.6 Ų37.69%0.09420%0.2CC..Hα-helixtrans-61-36.2176.4-67.8173.7000112.1E392 E393 F396 L412 Y413 R484 L490 L491 W492E392-L488 HydrophobicContact CG-CD2 4.44Å; E393-L488 HydrophobicContact CG-CD1 4.49Å; E393-L488 HydrophobicContact CG-CD2 4.05Å; F396-L488 HydrophobicContact CD2-CD2 3.51Å; F396-L488 HydrophobicContact CE2-CB 4.48Å; F396-L488 HydrophobicContact CE2-CD2 3.8Å; L412-L488 HydrophobicContact CD2-CD2 3.83Å; Y413-L488 HydrophobicContact CE1-CG 4.49Å; Y413-L488 WeakPolarHBondContact OH-CD1 3.45Å; R484-L488 WeakPolarHBondContact O-CB 3.46Å; R484-L488 VanDerWaalsContact O-CG 3.23Å; R484-L488 WeakPolarHBondContact O-CG 3.38Å; R484-L488 PolarHBondContact O-N 3.1Å; L488-L490 VanDerWaalsContact C-N 3.35Å; L488-L490 PolarHBondContact O-N 3.17Å; L488-L491 PolarHBondContact O-N 3.14Å; L488-W492 VanDerWaalsContact O-CB 3.3Å; L488-W492 WeakPolarHBondContact O-CB 3.16Å; L488-W492 PolarHBondContact O-N 3.35Å
489A93.2Very high92.5Very high31 Ų3136.1 Ų36.126%0.25619%0.192SC..Hα-helixtrans-63.6-37.3176.300000113.1I474 T485 L486 T487 Q493I474-A489 HydrophobicContact CD1-CB 4.3Å; T485-A489 WeakPolarHBondContact O-CB 3.36Å; T485-A489 PolarHBondContact O-N 3.06Å; L486-A489 PolarHBondContact O-N 3.01Å; T487-A489 VanDerWaalsContact C-N 3.27Å; T487-A489 PolarHBondContact O-N 3.19Å; A489-Q493 WeakPolarHBondContact O-CG 3.4Å; A489-Q493 PolarHBondContact O-N 3.48Å; A489-Q493 PolarHBondContact O-NE2 3.19Å
490L95.6Very high91.9Very high1 Ų136.5 Ų36.51%0.00519%0.194CC..Hα-helixtrans-71.1-47.5173.9175.561.1000111.4I422 F469 L471 L479 L486 T487 L488 W492 Q493 L494I422-L490 HydrophobicContact CD1-CD2 4.15Å; I422-L490 HydrophobicContact CG2-CD2 4.38Å; F469-L490 HydrophobicContact CD2-CD1 3.98Å; F469-L490 HydrophobicContact CE2-CD1 4.31Å; L471-L490 HydrophobicContact CD1-CD1 4.04Å; L471-L490 HydrophobicContact CD2-CB 4.44Å; L471-L490 HydrophobicContact CD2-CD1 3.81Å; L479-L490 HydrophobicContact CD1-CD2 3.74Å; L479-L490 HydrophobicContact CD2-CD2 3.97Å; L486-L490 PolarHBondContact O-N 2.82Å; L486-L490 VanDerWaalsContact O-N 3.16Å; T487-L490 PolarHBondContact O-N 2.81Å; T487-L490 VanDerWaalsContact O-N 3.16Å; L488-L490 VanDerWaalsContact C-N 3.35Å; L488-L490 PolarHBondContact O-N 3.17Å; L490-W492 VanDerWaalsContact C-N 3.3Å; L490-W492 PolarHBondContact O-N 3.19Å; L490-Q493 PolarHBondContact O-N 2.79Å; L490-L494 HydrophobicContact CD1-CD1 4.41Å; L490-L494 HydrophobicContact CD1-CG 4.42Å; L490-L494 HydrophobicContact CG-CD1 4.11Å; L490-L494 PolarHBondContact O-N 3Å
491L95.5Very high91.4Very high2 Ų235.7 Ų35.71%0.0119%0.19CC..Hα-helixtrans-59.7-40.4179.6-67.7173.8000112.1F396 M400 L412 I416 L425 T487 L488 Q493 L494 M495F396-L491 HydrophobicContact CB-CD1 4.19Å; F396-L491 HydrophobicContact CD1-CB 3.96Å; F396-L491 HydrophobicContact CD2-CB 4.3Å; F396-L491 HydrophobicContact CE1-CB 4.21Å; F396-L491 HydrophobicContact CE2-CB 4.48Å; F396-L491 HydrophobicContact CG-CB 4.03Å; F396-L491 HydrophobicContact CG-CD1 4.36Å; F396-L491 HydrophobicContact CZ-CB 4.47Å; M400-L491 HydrophobicContact CE-CD2 4.32Å; M400-L491 HydrophobicContact SD-CD1 4.38Å; M400-L491 HydrophobicContact SD-CD2 3.78Å; L412-L491 HydrophobicContact CD1-CD1 3.72Å; L412-L491 HydrophobicContact CD2-CD1 3.84Å; L412-L491 HydrophobicContact CG-CD1 4.06Å; I416-L491 HydrophobicContact CD1-CD1 4.18Å; I416-L491 HydrophobicContact CD1-CD2 4.47Å; L425-L491 HydrophobicContact CD1-CD2 4.31Å; T487-L491 HydrophobicContact CG2-CD1 4.02Å; T487-L491 HydrophobicContact CG2-CG 4.47Å; T487-L491 WeakPolarHBondContact O-CG 3.41Å; T487-L491 PolarHBondContact O-N 2.9Å; L488-L491 PolarHBondContact O-N 3.14Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-Q493 PolarHBondContact O-N 3.34Å; L491-L494 HydrophobicContact CD2-CD1 4.26Å; L491-L494 PolarHBondContact O-N 2.88Å; L491-M495 WeakPolarHBondContact O-CB 3.07Å; L491-M495 PolarHBondContact O-N 3.31Å
492W93.1Very high90.7Very high32 Ų3233.7 Ų33.712%0.12117%0.167CC..Hα-helixtrans-56.3-46.2171.6167.2-113.8000112.4F396 L488 L490 M495 R496 K605 M608 T609F396-W492 HydrophobicContact CE1-CB 4.39Å; F396-W492 HydrophobicContact CZ-CB 3.84Å; F396-W492 HydrophobicContact CZ-CE3 4.46Å; L488-W492 VanDerWaalsContact O-CB 3.3Å; L488-W492 WeakPolarHBondContact O-CB 3.16Å; L488-W492 PolarHBondContact O-N 3.35Å; L490-W492 VanDerWaalsContact C-N 3.3Å; L490-W492 PolarHBondContact O-N 3.19Å; W492-M495 PolarHBondContact O-N 2.9Å; W492-R496 HydrophobicContact CH2-CB 4.48Å; W492-R496 HydrophobicContact CZ2-CB 4.28Å; W492-R496 HydrophobicContact CZ2-CG 4.42Å; W492-R496 VanDerWaalsContact O-CB 3.3Å; W492-R496 WeakPolarHBondContact O-CB 3.3Å; W492-R496 PolarHBondContact O-N 3.28Å; W492-K605 HydrophobicContact CD2-CB 4.22Å; W492-K605 HydrophobicContact CD2-CD 3.61Å; W492-K605 HydrophobicContact CD2-CG 3.97Å; W492-K605 HydrophobicContact CE3-CB 3.92Å; W492-K605 HydrophobicContact CE3-CD 3.97Å; W492-K605 HydrophobicContact CE3-CG 4.2Å; W492-K605 HydrophobicContact CG-CD 3.96Å; W492-K605 VanDerWaalsContact CH2-CA 3.43Å; W492-K605 HydrophobicContact CH2-CB 3.44Å; W492-K605 VanDerWaalsContact CH2-CB 3.44Å; W492-K605 HydrophobicContact CH2-CG 3.88Å; W492-K605 WeakPolarHBondContact CH2-O 3.34Å; W492-K605 HydrophobicContact CZ2-CB 3.72Å; W492-K605 HydrophobicContact CZ2-CD 4.19Å; W492-K605 HydrophobicContact CZ2-CG 3.58Å; W492-K605 HydrophobicContact CZ3-CB 3.54Å; W492-K605 HydrophobicContact CZ3-CD 4.42Å; W492-K605 HydrophobicContact CZ3-CG 4.17Å; W492-K605 WeakPolarHBondContact CZ3-O 3.48Å; W492-M608 HydrophobicContact CH2-SD 4.38Å; W492-T609 HydrophobicContact CH2-CG2 4.02Å; W492-T609 HydrophobicContact CZ3-CG2 3.81Å
493Q93.1Very high90.1Very high37 Ų3732.8 Ų32.817%0.17316%0.158CC..Hα-helixtrans-68.2-36.2-179.4-71.7-175.270.100112.2F469 S470 A489 L490 L491 R497F469-Q493 VanDerWaalsContact CA-OE1 3.32Å; F469-Q493 HydrophobicContact CD1-CB 4.04Å; F469-Q493 HydrophobicContact CD2-CB 4.15Å; F469-Q493 HydrophobicContact CE1-CB 4.19Å; F469-Q493 HydrophobicContact CE2-CB 4.3Å; F469-Q493 HydrophobicContact CG-CB 4.02Å; F469-Q493 HydrophobicContact CZ-CB 4.32Å; S470-Q493 PolarHBondContact O-NE2 2.76Å; A489-Q493 WeakPolarHBondContact O-CG 3.4Å; A489-Q493 PolarHBondContact O-N 3.48Å; A489-Q493 PolarHBondContact O-NE2 3.19Å; L490-Q493 PolarHBondContact O-N 2.79Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-Q493 PolarHBondContact O-N 3.34Å; Q493-R497 WeakPolarHBondContact O-CB 3.26Å; Q493-R497 PolarHBondContact O-N 3.31Å
494L95Very high89.1Confident0 Ų033.4 Ų33.40%016%0.159CC..Hα-helixtrans-61.8-50.2171.8-69.9165.7000111.1W399 I422 L425 Y426 I429 F469 L490 L491 R496 R497 Y498W399-L494 HydrophobicContact CH2-CB 3.86Å; W399-L494 HydrophobicContact CZ3-CB 4.37Å; I422-L494 HydrophobicContact CG2-CD1 4.2Å; L425-L494 HydrophobicContact CB-CD1 4.49Å; L425-L494 HydrophobicContact CD1-CD1 4.18Å; Y426-L494 HydrophobicContact CD1-CD2 3.91Å; Y426-L494 HydrophobicContact CE1-CD2 3.7Å; I429-L494 HydrophobicContact CD1-CD2 3.6Å; F469-L494 HydrophobicContact CE2-CD2 3.61Å; F469-L494 HydrophobicContact CE2-CG 3.94Å; F469-L494 HydrophobicContact CZ-CD2 3.97Å; F469-L494 HydrophobicContact CZ-CG 4.39Å; L490-L494 HydrophobicContact CD1-CD1 4.41Å; L490-L494 HydrophobicContact CD1-CG 4.42Å; L490-L494 HydrophobicContact CG-CD1 4.11Å; L490-L494 PolarHBondContact O-N 3Å; L491-L494 HydrophobicContact CD2-CD1 4.26Å; L491-L494 PolarHBondContact O-N 2.88Å; L494-R496 PolarHBondContact O-N 3.37Å; L494-R497 PolarHBondContact O-N 3.34Å; L494-Y498 WeakPolarHBondContact O-CB 3.48Å; L494-Y498 PolarHBondContact O-N 2.66Å
495M92.3Very high87.9Confident2 Ų233.6 Ų33.61%0.0117%0.168CC..Hα-helixtrans-62.7-41.5178.7-173.4-175.9-177.400112.1F396 W399 L491 W492 Y498 T499 Y593 T609F396-M495 HydrophobicContact CD1-SD 4.11Å; F396-M495 HydrophobicContact CE1-CB 4.14Å; F396-M495 HydrophobicContact CE1-SD 3.79Å; W399-M495 HydrophobicContact CD2-CB 4.16Å; W399-M495 HydrophobicContact CD2-CG 3.98Å; W399-M495 HydrophobicContact CE3-CB 4.08Å; W399-M495 HydrophobicContact CE3-CG 4.34Å; W399-M495 HydrophobicContact CG-CG 4.36Å; W399-M495 HydrophobicContact CH2-CB 3.94Å; W399-M495 HydrophobicContact CZ2-CB 4Å; W399-M495 HydrophobicContact CZ2-CG 4.31Å; W399-M495 HydrophobicContact CZ3-CB 3.97Å; L491-M495 WeakPolarHBondContact O-CB 3.07Å; L491-M495 PolarHBondContact O-N 3.31Å; W492-M495 PolarHBondContact O-N 2.9Å; M495-Y498 WeakPolarHBondContact O-CB 3.35Å; M495-Y498 PolarHBondContact O-N 2.97Å; M495-T499 PolarHBondContact O-N 3.08Å; M495-T499 PolarHBondContact O-OG1 2.92Å; M495-Y593 HydrophobicContact CE-CD2 4.06Å; M495-Y593 HydrophobicContact CE-CG 4.29Å; M495-T609 HydrophobicContact CE-CG2 4.45Å
496R88.9Confident86.6Confident78 Ų7831.2 Ų31.229%0.29415%0.151SC..Hα-helixtrans-61.9-47.4175.5-177.1174.5178.3-93.4-1.1111.1W492 L494 T499 L500 D514 M608W492-R496 HydrophobicContact CH2-CB 4.48Å; W492-R496 HydrophobicContact CZ2-CB 4.28Å; W492-R496 HydrophobicContact CZ2-CG 4.42Å; W492-R496 VanDerWaalsContact O-CB 3.3Å; W492-R496 WeakPolarHBondContact O-CB 3.3Å; W492-R496 PolarHBondContact O-N 3.28Å; L494-R496 PolarHBondContact O-N 3.37Å; R496-T499 PolarHBondContact O-N 2.75Å; R496-L500 HydrophobicContact CG-CD1 4.2Å; R496-L500 WeakPolarHBondContact O-CG 3.4Å; R496-L500 PolarHBondContact O-N 3.46Å; R496-D514 IonicContact CZ-OD1 3.6Å; R496-D514 IonicContact NE-OD1 2.73Å; R496-D514 IonicContact NH2-OD1 3.83Å; R496-D514 PolarHBondContact NH2-OD1 3.21Å; R496-D514 IonicContact NH2-OD2 2.77Å; R496-M608 HydrophobicContact CG-CE 4.36Å
497R89Confident84.9Confident73 Ų7330.4 Ų30.428%0.27515%0.153SC..Hα-helixtrans-63.5-41.9177.2179.358.568.390.97.6111.8I429 A467 F469 Q493 L494 T499 L500 N501I429-R497 HydrophobicContact CB-CG 4.2Å; I429-R497 HydrophobicContact CD1-CB 4.21Å; I429-R497 HydrophobicContact CD1-CG 3.94Å; A467-R497 PolarHBondContact O-NH2 3.15Å; F469-R497 HydrophobicContact CE1-CB 3.92Å; F469-R497 HydrophobicContact CE1-CG 4.4Å; F469-R497 HydrophobicContact CZ-CB 4.09Å; Q493-R497 WeakPolarHBondContact O-CB 3.26Å; Q493-R497 PolarHBondContact O-N 3.31Å; L494-R497 PolarHBondContact O-N 3.34Å; R497-T499 VanDerWaalsContact C-N 3.3Å; R497-T499 PolarHBondContact O-N 3.15Å; R497-L500 PolarHBondContact O-N 3.44Å; R497-N501 WeakPolarHBondContact CD-OD1 3.4Å; R497-N501 VanDerWaalsContact O-CG 3.23Å; R497-N501 PolarHBondContact O-N 2.95Å; R497-N501 PolarHBondContact O-OD1 3.4Å
498Y89.3Confident83.1Confident33 Ų3338.6 Ų38.613%0.12920%0.196CC..Hα-helixtrans-54.8-47.5174.3178.1-102.8000111.7W399 L403 I429 L494 M495 N501 I502W399-Y498 HydrophobicContact CZ2-CD1 4.39Å; W399-Y498 HydrophobicContact CZ2-CG 4.14Å; W399-Y498 AromaticContact NE1-CD1 3.62Å; W399-Y498 AromaticContact NE1-CE1 3.95Å; L403-Y498 HydrophobicContact CD2-CE1 4.25Å; L403-Y498 HydrophobicContact CD2-CE2 3.87Å; I429-Y498 HydrophobicContact CG2-CD2 4.07Å; I429-Y498 HydrophobicContact CG2-CG 4.33Å; L494-Y498 WeakPolarHBondContact O-CB 3.48Å; L494-Y498 PolarHBondContact O-N 2.66Å; M495-Y498 WeakPolarHBondContact O-CB 3.35Å; M495-Y498 PolarHBondContact O-N 2.97Å; Y498-N501 PolarHBondContact O-N 2.83Å; Y498-I502 HydrophobicContact CD1-CD1 4.06Å; Y498-I502 HydrophobicContact CE1-CD1 3.55Å; Y498-I502 WeakPolarHBondContact O-CG1 3.38Å; Y498-I502 PolarHBondContact O-N 2.97Å
499T84.9Confident81.3Confident8 Ų841.1 Ų41.15%0.04923%0.226CC..Hα-helixtrans-64.6-42179.4-52.40000111.8M495 R496 R497 I502 L503 A612M495-T499 PolarHBondContact O-N 3.08Å; M495-T499 PolarHBondContact O-OG1 2.92Å; R496-T499 PolarHBondContact O-N 2.75Å; R497-T499 VanDerWaalsContact C-N 3.3Å; R497-T499 PolarHBondContact O-N 3.15Å; T499-I502 WeakPolarHBondContact O-CB 3.45Å; T499-I502 PolarHBondContact O-N 3.34Å; T499-L503 PolarHBondContact O-N 2.98Å; T499-A612 HydrophobicContact CG2-CB 3.52Å
500L82.3Confident79.7Confident11 Ų1146.8 Ų46.86%0.05825%0.247CC..Hα-helixtrans-67.9-37.7177.4-69.3176000112.5R496 R497 I502 L503 E504 V512 I517 M608R496-L500 HydrophobicContact CG-CD1 4.2Å; R496-L500 WeakPolarHBondContact O-CG 3.4Å; R496-L500 PolarHBondContact O-N 3.46Å; R497-L500 PolarHBondContact O-N 3.44Å; L500-I502 PolarHBondContact O-N 3.34Å; L500-L503 HydrophobicContact CD2-CD1 4.33Å; L500-L503 CarbonylContact O-C 3.43Å; L500-L503 WeakPolarHBondContact O-CA 3.45Å; L500-L503 WeakPolarHBondContact O-CB 3.44Å; L500-L503 PolarHBondContact O-N 3.44Å; L500-E504 PolarHBondContact O-N 3.38Å; L500-V512 HydrophobicContact CD2-CB 4.23Å; L500-V512 HydrophobicContact CD2-CG1 4.11Å; L500-V512 WeakPolarHBondContact CD2-O 3.42Å; L500-I517 HydrophobicContact CD2-CD1 4.34Å; L500-M608 HydrophobicContact CD2-CE 4.02Å; L500-M608 HydrophobicContact CG-CE 4.49Å
501N83.4Confident78.3Confident14 Ų1455 Ų558%0.07528%0.283CS..Hα-helixtrans-60.4-35.6175.3-71.82.2000111.7I429 R497 Y498 L503 E504 D505I429-N501 VanDerWaalsContact C-ND2 3.33Å; I429-N501 PolarHBondContact O-ND2 3.33Å; R497-N501 WeakPolarHBondContact CD-OD1 3.4Å; R497-N501 VanDerWaalsContact O-CG 3.23Å; R497-N501 PolarHBondContact O-N 2.95Å; R497-N501 PolarHBondContact O-OD1 3.4Å; Y498-N501 PolarHBondContact O-N 2.83Å; N501-L503 PolarHBondContact O-N 3.23Å; N501-E504 PolarHBondContact O-N 3.03Å; N501-D505 PolarHBondContact O-N 3.05Å; N501-D505 VanDerWaalsContact O-N 3.12Å
502I78.9Confident77.2Confident37 Ų3755.6 Ų55.619%0.1929%0.287CS..Hα-helixtrans-64-33.8174.8-65.6167.9000110.9Y498 T499 L500 L506 A616Y498-I502 HydrophobicContact CD1-CD1 4.06Å; Y498-I502 HydrophobicContact CE1-CD1 3.55Å; Y498-I502 WeakPolarHBondContact O-CG1 3.38Å; Y498-I502 PolarHBondContact O-N 2.97Å; T499-I502 WeakPolarHBondContact O-CB 3.45Å; T499-I502 PolarHBondContact O-N 3.34Å; L500-I502 PolarHBondContact O-N 3.34Å; I502-L506 WeakPolarHBondContact O-CD1 3.42Å; I502-L506 WeakPolarHBondContact O-CG 3.06Å; I502-A616 HydrophobicContact CG2-CB 3.94Å
503L77.4Confident76.5Confident0 Ų058.4 Ų58.40%030%0.303CS..Hα-helixtrans-79.2-38.4177.2-69.9172000112.7T499 L500 N501 D505 L506 G507 V512 I517 A612 M615 A616T499-L503 PolarHBondContact O-N 2.98Å; L500-L503 HydrophobicContact CD2-CD1 4.33Å; L500-L503 CarbonylContact O-C 3.43Å; L500-L503 WeakPolarHBondContact O-CA 3.45Å; L500-L503 WeakPolarHBondContact O-CB 3.44Å; L500-L503 PolarHBondContact O-N 3.44Å; N501-L503 PolarHBondContact O-N 3.23Å; L503-D505 VanDerWaalsContact C-N 3.3Å; L503-D505 PolarHBondContact O-N 2.67Å; L503-L506 CarbonylContact O-C 3.35Å; L503-L506 WeakPolarHBondContact O-CA 3.31Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 PolarHBondContact O-N 2.8Å; L503-G507 PolarHBondContact O-N 2.89Å; L503-V512 HydrophobicContact CB-CB 4.43Å; L503-V512 HydrophobicContact CB-CG2 4.12Å; L503-V512 HydrophobicContact CD1-CG1 3.96Å; L503-I517 HydrophobicContact CD1-CD1 4.24Å; L503-I517 HydrophobicContact CD1-CG1 4.41Å; L503-A612 HydrophobicContact CD1-CB 3.9Å; L503-M615 HydrophobicContact CD1-SD 4.46Å; L503-M615 HydrophobicContact CD2-CB 4.08Å; L503-M615 HydrophobicContact CD2-CG 3.84Å; L503-M615 HydrophobicContact CD2-SD 4.19Å; L503-A616 HydrophobicContact CD2-CB 3.65Å; L503-A616 HydrophobicContact CG-CB 4.43Å
504E71.4Confident76.1Confident74 Ų7459.3 Ų59.335%0.34631%0.309SS..Hα-helixtrans-62.5-37.8176-74.6-176.4173.600111.8L500 N501 L506 G507L500-E504 PolarHBondContact O-N 3.38Å; N501-E504 PolarHBondContact O-N 3.03Å; E504-L506 PolarHBondContact O-N 2.87Å; E504-L506 VanDerWaalsContact O-N 3.13Å; E504-G507 PolarHBondContact O-N 2.99Å
505D67.1Low75.7Confident108 Ų10865.1 Ų65.158%0.57834%0.341SS*.THydrogen-bonded Turntrans-64.9-12.5174.3-72.1-13.3000112.9K430 N501 L503K430-D505 IonicContact NZ-OD1 3.7Å; K430-D505 PolarHBondContact NZ-OD1 3.18Å; K430-D505 IonicContact NZ-OD2 2.79Å; K430-D505 PolarHBondContact NZ-OD2 2.7Å; N501-D505 PolarHBondContact O-N 3.05Å; N501-D505 VanDerWaalsContact O-N 3.12Å; L503-D505 VanDerWaalsContact C-N 3.3Å; L503-D505 PolarHBondContact O-N 2.67Å
506L64Low75.6Confident53 Ų5367.5 Ų67.528%0.27736%0.355SS..THydrogen-bonded Turntrans-109.7-16.4-179.4-63.8171.8000113.9I502 L503 E504 A616 R620I502-L506 WeakPolarHBondContact O-CD1 3.42Å; I502-L506 WeakPolarHBondContact O-CG 3.06Å; L503-L506 CarbonylContact O-C 3.35Å; L503-L506 WeakPolarHBondContact O-CA 3.31Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 PolarHBondContact O-N 2.8Å; E504-L506 PolarHBondContact O-N 2.87Å; E504-L506 VanDerWaalsContact O-N 3.13Å; L506-A616 HydrophobicContact CD1-CB 3.89Å; L506-A616 VanDerWaalsContact CD1-O 3.29Å; L506-A616 WeakPolarHBondContact CD1-O 3.44Å; L506-R620 HydrophobicContact CD1-CG 3.86Å; L506-R620 HydrophobicContact CD2-CG 3.39Å; L506-R620 HydrophobicContact CG-CG 4.28Å
507G59.3Low75.7Confident24 Ų2463.8 Ų63.825%0.24734%0.341CS..THydrogen-bonded Turntrans-94162.1173.700000111.5L503 E504 G509L503-G507 PolarHBondContact O-N 2.89Å; E504-G507 PolarHBondContact O-N 2.99Å; G507-G509 PolarHBondContact O-N 3.28Å
508D56.7Low75.9Confident175 Ų17561.2 Ų61.294%0.93633%0.333SS*.THydrogen-bonded Turntrans-69.541.7173-74.3-32000112.9Q510D508-Q510 VanDerWaalsContact C-N 3.33Å; D508-Q510 PolarHBondContact O-N 3.47Å
509G57.1Low76.1Confident70 Ų7063.6 Ų63.672%0.72236%0.355SS*.SBendtrans75.812.3-179.700000115.3G507G507-G509 PolarHBondContact O-N 3.28Å
510Q59.2Low76.6Confident150 Ų15065.9 Ų65.970%0.70136%0.363SS*.  trans-74.9132.3172.8-72.8-170.9-0.800111.2D508 V512D508-Q510 VanDerWaalsContact C-N 3.33Å; D508-Q510 PolarHBondContact O-N 3.47Å; Q510-V512 PolarHBondContact O-N 3.37Å; Q510-V512 VanDerWaalsContact O-N 3.14Å
511K66.3Low77.2Confident175 Ų17565.4 Ų65.476%0.76136%0.36SS*.  trans-63.4115173-75.4-175.3177.6179.30109.7I513K511-I513 PolarHBondContact O-N 2.81Å
512V71.9Confident77.8Confident14 Ų1466.3 Ų66.39%0.08537%0.365CS..  trans-81.6117.5176.9-177.90000109.1L500 L503 Q510 T516 I517L500-V512 HydrophobicContact CD2-CB 4.23Å; L500-V512 HydrophobicContact CD2-CG1 4.11Å; L500-V512 WeakPolarHBondContact CD2-O 3.42Å; L503-V512 HydrophobicContact CB-CB 4.43Å; L503-V512 HydrophobicContact CB-CG2 4.12Å; L503-V512 HydrophobicContact CD1-CG1 3.96Å; Q510-V512 PolarHBondContact O-N 3.37Å; Q510-V512 VanDerWaalsContact O-N 3.14Å; V512-T516 HydrophobicContact CG1-CG2 4.35Å; V512-I517 HydrophobicContact CG1-CD1 4.13Å; V512-I517 HydrophobicContact CG1-CG1 3.68Å
513I79.9Confident78.7Confident90 Ų9066 Ų6646%0.46237%0.371SS..  trans-111.1167.8172.159.6169.1000110.1K511 D515 T516 I517K511-I513 PolarHBondContact O-N 2.81Å; I513-D515 HydrophobicContact CD1-CB 4.32Å; I513-D515 HydrophobicContact CG1-CB 4.44Å; I513-D515 PolarHBondContact O-N 2.92Å; I513-T516 WeakPolarHBondContact CG1-OG1 3.22Å; I513-T516 PolarHBondContact N-OG1 2.74Å; I513-T516 WeakPolarHBondContact O-CA 3.2Å; I513-T516 WeakPolarHBondContact O-CB 3.48Å; I513-T516 PolarHBondContact O-N 3.13Å; I513-T516 PolarHBondContact O-OG1 2.98Å; I513-I517 PolarHBondContact O-N 3.33Å
514D84.4Confident79.6Confident57 Ų5767.1 Ų67.131%0.30538%0.378SS..Hα-helixtrans-52.6-41.5-176.7-66.515.7000112.1R496 T516 I517 V518 F536R496-D514 IonicContact CZ-OD1 3.6Å; R496-D514 IonicContact NE-OD1 2.73Å; R496-D514 IonicContact NH2-OD1 3.83Å; R496-D514 PolarHBondContact NH2-OD1 3.21Å; R496-D514 IonicContact NH2-OD2 2.77Å; D514-T516 VanDerWaalsContact C-N 3.32Å; D514-T516 PolarHBondContact O-N 3.1Å; D514-I517 PolarHBondContact O-N 3.01Å; D514-V518 PolarHBondContact O-N 3.16Å; D514-V518 VanDerWaalsContact O-N 3.09Å; D514-F536 HydrophobicContact CB-CE2 3.9Å
515D86.9Confident80.8Confident122 Ų12263.6 Ų63.665%0.65236%0.362SS*.Hα-helixtrans-64.4-34177.4-65.1-21.1000113I513 I517 V518 S519I513-D515 HydrophobicContact CD1-CB 4.32Å; I513-D515 HydrophobicContact CG1-CB 4.44Å; I513-D515 PolarHBondContact O-N 2.92Å; D515-I517 VanDerWaalsContact C-N 3.31Å; D515-I517 PolarHBondContact O-N 3.4Å; D515-V518 PolarHBondContact O-N 2.99Å; D515-S519 VanDerWaalsContact O-CB 3.26Å; D515-S519 WeakPolarHBondContact O-CB 3.5Å; D515-S519 PolarHBondContact O-N 3.29Å
516T88.7Confident82.2Confident51 Ų5162.8 Ų62.831%0.31336%0.36SS..Hα-helixtrans-63.3-41.6175.5-500000110.6V512 I513 D514 S519 W520V512-T516 HydrophobicContact CG1-CG2 4.35Å; I513-T516 WeakPolarHBondContact CG1-OG1 3.22Å; I513-T516 PolarHBondContact N-OG1 2.74Å; I513-T516 WeakPolarHBondContact O-CA 3.2Å; I513-T516 WeakPolarHBondContact O-CB 3.48Å; I513-T516 PolarHBondContact O-N 3.13Å; I513-T516 PolarHBondContact O-OG1 2.98Å; D514-T516 VanDerWaalsContact C-N 3.32Å; D514-T516 PolarHBondContact O-N 3.1Å; T516-S519 PolarHBondContact O-N 3.43Å; T516-W520 WeakPolarHBondContact O-CB 3.1Å; T516-W520 PolarHBondContact O-N 2.99Å
517I91.2Very high83.7Confident0 Ų068.6 Ų68.60%039%0.386CS..Hα-helixtrans-67.6-47.1179.8-59.1167.5000109.8L500 L503 V512 I513 D514 D515 S519 W520 V521 F536 M608 F611 A612 M615L500-I517 HydrophobicContact CD2-CD1 4.34Å; L503-I517 HydrophobicContact CD1-CD1 4.24Å; L503-I517 HydrophobicContact CD1-CG1 4.41Å; V512-I517 HydrophobicContact CG1-CD1 4.13Å; V512-I517 HydrophobicContact CG1-CG1 3.68Å; I513-I517 PolarHBondContact O-N 3.33Å; D514-I517 PolarHBondContact O-N 3.01Å; D515-I517 VanDerWaalsContact C-N 3.31Å; D515-I517 PolarHBondContact O-N 3.4Å; I517-S519 VanDerWaalsContact C-N 3.32Å; I517-S519 PolarHBondContact O-N 3.05Å; I517-W520 PolarHBondContact O-N 2.98Å; I517-V521 HydrophobicContact CG2-CG2 4.37Å; I517-V521 WeakPolarHBondContact O-CB 3.21Å; I517-V521 VanDerWaalsContact O-CG2 3.27Å; I517-V521 WeakPolarHBondContact O-CG2 3.33Å; I517-V521 PolarHBondContact O-N 2.87Å; I517-F536 HydrophobicContact CB-CZ 3.95Å; I517-F536 HydrophobicContact CG2-CE1 4.16Å; I517-F536 HydrophobicContact CG2-CZ 3.77Å; I517-M608 HydrophobicContact CD1-CE 3.52Å; I517-F611 HydrophobicContact CG2-CB 4.03Å; I517-A612 HydrophobicContact CD1-CB 4.04Å; I517-M615 HydrophobicContact CB-SD 4.33Å; I517-M615 HydrophobicContact CG1-SD 4.01Å; I517-M615 HydrophobicContact CG2-SD 4.36Å
518V94.1Very high85.3Confident19 Ų1969.7 Ų69.712%0.11539%0.393CS..Hα-helixtrans-60.7-43177.5175.40000111.1D514 D515 V521 N522 F536D514-V518 PolarHBondContact O-N 3.16Å; D514-V518 VanDerWaalsContact O-N 3.09Å; D515-V518 PolarHBondContact O-N 2.99Å; V518-V521 PolarHBondContact O-N 2.93Å; V518-N522 WeakPolarHBondContact O-CB 3.34Å; V518-N522 PolarHBondContact O-N 2.89Å; V518-N522 PolarHBondContact O-ND2 3.5Å; V518-F536 HydrophobicContact CG2-CD1 4.2Å; V518-F536 HydrophobicContact CG2-CD2 4.44Å; V518-F536 HydrophobicContact CG2-CE1 3.74Å; V518-F536 HydrophobicContact CG2-CE2 4Å; V518-F536 HydrophobicContact CG2-CZ 3.63Å
519S94Very high87.1Confident83 Ų8364.7 Ų64.758%0.5838%0.383SS*.Hα-helixtrans-60-46.3176.1-174.20000111.9D515 T516 I517 N522 G523D515-S519 VanDerWaalsContact O-CB 3.26Å; D515-S519 WeakPolarHBondContact O-CB 3.5Å; D515-S519 PolarHBondContact O-N 3.29Å; T516-S519 PolarHBondContact O-N 3.43Å; I517-S519 VanDerWaalsContact C-N 3.32Å; I517-S519 PolarHBondContact O-N 3.05Å; S519-N522 PolarHBondContact O-N 3.15Å; S519-G523 PolarHBondContact O-N 3.02Å
520W93.7Very high88.9Confident57 Ų5764.5 Ų64.522%0.21636%0.362CS..Hα-helixtrans-63.1-44.5177.4179.687.2000112.4T516 I517 N522 G523 T524 L550 I554 M615T516-W520 WeakPolarHBondContact O-CB 3.1Å; T516-W520 PolarHBondContact O-N 2.99Å; I517-W520 PolarHBondContact O-N 2.98Å; W520-N522 VanDerWaalsContact C-N 3.35Å; W520-N522 PolarHBondContact O-N 3.37Å; W520-G523 PolarHBondContact O-N 3.44Å; W520-T524 HydrophobicContact CH2-CG2 4.45Å; W520-T524 WeakPolarHBondContact O-CB 3.41Å; W520-T524 PolarHBondContact O-N 3.03Å; W520-T524 PolarHBondContact O-OG1 3.35Å; W520-L550 HydrophobicContact CH2-CD1 4.33Å; W520-L550 HydrophobicContact CZ3-CD1 4Å; W520-L550 HydrophobicContact CZ3-CD2 4.28Å; W520-I554 HydrophobicContact CH2-CD1 3.98Å; W520-I554 HydrophobicContact CH2-CG1 4.07Å; W520-M615 HydrophobicContact CB-CE 3.88Å; W520-M615 HydrophobicContact CB-SD 4.02Å; W520-M615 HydrophobicContact CD2-CB 4.06Å; W520-M615 HydrophobicContact CD2-CE 4.37Å; W520-M615 HydrophobicContact CD2-CG 3.57Å; W520-M615 HydrophobicContact CD2-SD 4.1Å; W520-M615 HydrophobicContact CE3-CB 3.56Å; W520-M615 HydrophobicContact CE3-CG 3.63Å; W520-M615 HydrophobicContact CE3-SD 4.23Å; W520-M615 HydrophobicContact CG-CE 3.79Å; W520-M615 HydrophobicContact CG-CG 4.01Å; W520-M615 HydrophobicContact CG-SD 3.99Å; W520-M615 HydrophobicContact CH2-CB 4.18Å; W520-M615 HydrophobicContact CH2-CG 4.48Å; W520-M615 HydrophobicContact CZ2-CG 4.4Å; W520-M615 VanDerWaalsContact CZ3-CA 3.41Å; W520-M615 HydrophobicContact CZ3-CB 3.64Å; W520-M615 HydrophobicContact CZ3-CG 4.1Å
521V95.8Very high90.5Very high0 Ų059.9 Ų59.90%036%0.355CS..Hα-helixtrans-58-49.4176.6167.10000110.2I517 V518 T524 L525 I533 L550 F611I517-V521 HydrophobicContact CG2-CG2 4.37Å; I517-V521 WeakPolarHBondContact O-CB 3.21Å; I517-V521 VanDerWaalsContact O-CG2 3.27Å; I517-V521 WeakPolarHBondContact O-CG2 3.33Å; I517-V521 PolarHBondContact O-N 2.87Å; V518-V521 PolarHBondContact O-N 2.93Å; V521-T524 PolarHBondContact O-N 3.1Å; V521-L525 HydrophobicContact CG1-CD1 3.61Å; V521-L525 HydrophobicContact CG1-CG 4.43Å; V521-L525 WeakPolarHBondContact O-CB 3.36Å; V521-L525 VanDerWaalsContact O-CG 3.29Å; V521-L525 WeakPolarHBondContact O-CG 3.27Å; V521-L525 PolarHBondContact O-N 3.42Å; V521-I533 HydrophobicContact CG1-CD1 4.08Å; V521-I533 HydrophobicContact CG1-CG1 4.22Å; V521-L550 HydrophobicContact CG1-CD2 4.12Å; V521-L550 HydrophobicContact CG2-CD2 3.93Å; V521-F611 HydrophobicContact CB-CD1 4.44Å; V521-F611 HydrophobicContact CG1-CD1 3.98Å; V521-F611 HydrophobicContact CG1-CE1 3.86Å; V521-F611 HydrophobicContact CG2-CB 4.07Å; V521-F611 HydrophobicContact CG2-CD1 3.56Å; V521-F611 HydrophobicContact CG2-CE1 4.3Å; V521-F611 HydrophobicContact CG2-CG 4.06Å
522N96.9Very high91.9Very high34 Ų3455.2 Ų55.218%0.18234%0.341CS..Hα-helixtrans-68.2-36.8-178.7-72.7-19.8000112.8V518 S519 W520 T526 T532 I533V518-N522 WeakPolarHBondContact O-CB 3.34Å; V518-N522 PolarHBondContact O-N 2.89Å; V518-N522 PolarHBondContact O-ND2 3.5Å; S519-N522 PolarHBondContact O-N 3.15Å; W520-N522 VanDerWaalsContact C-N 3.35Å; W520-N522 PolarHBondContact O-N 3.37Å; N522-T526 VanDerWaalsContact O-CB 3.27Å; N522-T526 WeakPolarHBondContact O-CB 3.43Å; N522-T526 PolarHBondContact O-N 3.2Å; N522-T526 PolarHBondContact O-OG1 3.36Å; N522-T532 HydrophobicContact CB-CG2 3.95Å; N522-T532 WeakPolarHBondContact OD1-CB 3.39Å; N522-I533 PolarHBondContact ND2-O 2.69Å; N522-I533 WeakPolarHBondContact OD1-CG1 3.31Å; N522-I533 PolarHBondContact OD1-N 2.92Å; N522-I533 PolarHBondContact OD1-O 3.36Å
523G96.7Very high93.1Very high31 Ų3154.6 Ų54.632%0.3234%0.337SS..Hα-helixtrans-59.4-51.1172.200000111.3S519 W520 L525 T526 E527S519-G523 PolarHBondContact O-N 3.02Å; W520-G523 PolarHBondContact O-N 3.44Å; G523-L525 PolarHBondContact O-N 3.37Å; G523-T526 PolarHBondContact O-N 3.37Å; G523-E527 WeakPolarHBondContact O-CG 3.47Å; G523-E527 PolarHBondContact O-N 2.84Å
524T96Very high93.8Very high23 Ų2354.6 Ų54.614%0.14135%0.345CS..Hα-helixtrans-60.9-43.1179.5-52.50000112.1W520 V521 A528 L550 A553W520-T524 HydrophobicContact CH2-CG2 4.45Å; W520-T524 WeakPolarHBondContact O-CB 3.41Å; W520-T524 PolarHBondContact O-N 3.03Å; W520-T524 PolarHBondContact O-OG1 3.35Å; V521-T524 PolarHBondContact O-N 3.1Å; T524-A528 PolarHBondContact O-N 2.85Å; T524-L550 HydrophobicContact CG2-CD1 3.76Å; T524-A553 HydrophobicContact CG2-CB 3.9Å
525L96.7Very high94.4Very high0 Ų053.9 Ų53.90%035%0.345CS..Hα-helixtrans-66.4-41.1176.8-72.5166.7000111.9V521 G523 A528 G529 K530 G531 D549 L550V521-L525 HydrophobicContact CG1-CD1 3.61Å; V521-L525 HydrophobicContact CG1-CG 4.43Å; V521-L525 WeakPolarHBondContact O-CB 3.36Å; V521-L525 VanDerWaalsContact O-CG 3.29Å; V521-L525 WeakPolarHBondContact O-CG 3.27Å; V521-L525 PolarHBondContact O-N 3.42Å; G523-L525 PolarHBondContact O-N 3.37Å; L525-A528 CarbonylContact O-C 3.54Å; L525-A528 PolarHBondContact O-N 3.28Å; L525-G529 PolarHBondContact O-N 3.09Å; L525-G529 VanDerWaalsContact O-N 3.15Å; L525-K530 HydrophobicContact CB-CB 4.27Å; L525-K530 HydrophobicContact CD2-CB 3.89Å; L525-K530 PolarHBondContact O-N 3.05Å; L525-G531 WeakPolarHBondContact CD1-O 3.4Å; L525-D549 HydrophobicContact CD2-CB 3.79Å; L525-L550 HydrophobicContact CD2-CB 4.05Å; L525-L550 HydrophobicContact CG-CD1 4.31Å
526T96.8Very high94.7Very high90 Ų9048.9 Ų48.955%0.55232%0.317SS*.Hα-helixtrans-65.5-42.1179.6-57.80000111.4N522 G523 A528 G529 T532N522-T526 VanDerWaalsContact O-CB 3.27Å; N522-T526 WeakPolarHBondContact O-CB 3.43Å; N522-T526 PolarHBondContact O-N 3.2Å; N522-T526 PolarHBondContact O-OG1 3.36Å; G523-T526 PolarHBondContact O-N 3.37Å; T526-A528 PolarHBondContact O-N 3.35Å; T526-G529 PolarHBondContact O-N 3.44Å; T526-T532 WeakPolarHBondContact OG1-CG2 3.21Å
527E95.3Very high95.1Very high176 Ų17653.5 Ų53.582%0.82233%0.333SS*.Hα-helixtrans-60.3-33.2175-73.9175.5-171.300112.3G523 G529G523-E527 WeakPolarHBondContact O-CG 3.47Å; G523-E527 PolarHBondContact O-N 2.84Å; E527-G529 VanDerWaalsContact C-N 3.31Å
528A94.1Very high95.3Very high47 Ų4755 Ų5539%0.38834%0.341SS..THydrogen-bonded Turntrans-84.10.8174.400000114.1T524 L525 T526 K530 A553T524-A528 PolarHBondContact O-N 2.85Å; L525-A528 CarbonylContact O-C 3.54Å; L525-A528 PolarHBondContact O-N 3.28Å; T526-A528 PolarHBondContact O-N 3.35Å; A528-K530 VanDerWaalsContact C-N 3.33Å; A528-K530 HydrophobicContact CB-CG 4.06Å; A528-K530 PolarHBondContact O-N 2.85Å; A528-A553 HydrophobicContact CB-CB 3.67Å
529G94.4Very high95.4Very high70 Ų7059.7 Ų59.772%0.72236%0.363SS*.THydrogen-bonded Turntrans68.927.1-177.900000114.3L525 T526 E527L525-G529 PolarHBondContact O-N 3.09Å; L525-G529 VanDerWaalsContact O-N 3.15Å; T526-G529 PolarHBondContact O-N 3.44Å; E527-G529 VanDerWaalsContact C-N 3.31Å
530K94.6Very high95.4Very high66 Ų6658 Ų5829%0.28735%0.351SS..PPolyproline II helixtrans-103.9164.5-178.1-59.1-65.8-168.6145.80111.9L525 A528 D549 Y561L525-K530 HydrophobicContact CB-CB 4.27Å; L525-K530 HydrophobicContact CD2-CB 3.89Å; L525-K530 PolarHBondContact O-N 3.05Å; A528-K530 VanDerWaalsContact C-N 3.33Å; A528-K530 HydrophobicContact CB-CG 4.06Å; A528-K530 PolarHBondContact O-N 2.85Å; K530-D549 HydrophobicContact CB-CB 4.13Å; K530-D549 HydrophobicContact CD-CB 4.17Å; K530-D549 HydrophobicContact CG-CB 4.01Å; K530-D549 IonicContact NZ-OD1 3.13Å; K530-D549 PolarHBondContact NZ-OD1 2.99Å; K530-Y561 PolarHBondContact NZ-OH 3.36Å
531G92.6Very high95.6Very high53 Ų5355.3 Ų55.355%0.54634%0.341SS..PPolyproline II helixtrans-70.3145.7178.200000112.8L525L525-G531 WeakPolarHBondContact CD1-O 3.4Å
532T96.1Very high95.6Very high76 Ų7656.2 Ų56.247%0.46635%0.347SS..PPolyproline II helixtrans-96.6163.9-179.156.50000112.6N522 T526N522-T532 HydrophobicContact CB-CG2 3.95Å; N522-T532 WeakPolarHBondContact OD1-CB 3.39Å; T526-T532 WeakPolarHBondContact OG1-CG2 3.21Å
533I96.9Very high95.6Very high2 Ų255.6 Ų55.61%0.0135%0.345CS..  trans-107.5146.7172.961.2170.1000111.6V521 N522 D538 I541 P546 F611V521-I533 HydrophobicContact CG1-CD1 4.08Å; V521-I533 HydrophobicContact CG1-CG1 4.22Å; N522-I533 PolarHBondContact ND2-O 2.69Å; N522-I533 WeakPolarHBondContact OD1-CG1 3.31Å; N522-I533 PolarHBondContact OD1-N 2.92Å; N522-I533 PolarHBondContact OD1-O 3.36Å; I533-D538 HydrophobicContact CB-CB 4.23Å; I533-I541 HydrophobicContact CD1-CD1 4.39Å; I533-I541 HydrophobicContact CG2-CD1 4.42Å; I533-I541 HydrophobicContact CG2-CG1 4.13Å; I533-P546 HydrophobicContact CG2-CB 3.69Å; I533-P546 HydrophobicContact CG2-CG 3.97Å; I533-F611 HydrophobicContact CD1-CD2 4.39Å; I533-F611 HydrophobicContact CD1-CE1 4.4Å; I533-F611 HydrophobicContact CD1-CE2 3.87Å; I533-F611 HydrophobicContact CD1-CZ 3.88Å
534S94.9Very high95.6Very high89 Ų8954.1 Ų54.162%0.62233%0.33SS*.SBendtrans-79.5-35.7177580000113.3D538S534-D538 WeakPolarHBondContact CB-OD2 3.26Å; S534-D538 PolarHBondContact N-OD2 3.33Å; S534-D538 PolarHBondContact OG-OD2 3.05Å
535S95.4Very high95.6Very high43 Ų4354.2 Ų54.230%0.30133%0.329SS..SBendtrans-167.2177.4179.567.90000110.4K537 D538S535-K537 PolarHBondContact O-N 3.19Å; S535-K537 PolarHBondContact OG-N 3.44Å; S535-K537 VanDerWaalsContact OG-N 3.13Å; S535-D538 VanDerWaalsContact O-CB 3.25Å; S535-D538 WeakPolarHBondContact O-CB 3.47Å; S535-D538 PolarHBondContact O-N 3.15Å; S535-D538 VanDerWaalsContact O-N 3.08Å
536F94.6Very high95.6Very high17 Ų1754.7 Ų54.78%0.07533%0.333CS..THydrogen-bonded Turntrans-67.5-1.5170.1-55.5-49.3000114.5D514 I517 V518 P604 V607 M608 F611D514-F536 HydrophobicContact CB-CE2 3.9Å; I517-F536 HydrophobicContact CB-CZ 3.95Å; I517-F536 HydrophobicContact CG2-CE1 4.16Å; I517-F536 HydrophobicContact CG2-CZ 3.77Å; V518-F536 HydrophobicContact CG2-CD1 4.2Å; V518-F536 HydrophobicContact CG2-CD2 4.44Å; V518-F536 HydrophobicContact CG2-CE1 3.74Å; V518-F536 HydrophobicContact CG2-CE2 4Å; V518-F536 HydrophobicContact CG2-CZ 3.63Å; F536-P604 HydrophobicContact CB-CB 4.46Å; F536-V607 HydrophobicContact CB-CB 4.48Å; F536-V607 HydrophobicContact CB-CG1 4.03Å; F536-V607 HydrophobicContact CD1-CG1 4.11Å; F536-V607 HydrophobicContact CG-CG1 4.49Å; F536-M608 HydrophobicContact CD1-CB 4.34Å; F536-M608 HydrophobicContact CD2-CB 3.62Å; F536-M608 HydrophobicContact CD2-CG 3.85Å; F536-M608 HydrophobicContact CE1-CB 4.42Å; F536-M608 HydrophobicContact CE2-CB 3.7Å; F536-M608 HydrophobicContact CE2-CG 3.41Å; F536-M608 VanDerWaalsContact CE2-CG 3.41Å; F536-M608 HydrophobicContact CG-CB 3.95Å; F536-M608 HydrophobicContact CZ-CB 4.11Å; F536-M608 HydrophobicContact CZ-CG 3.83Å; F536-F611 AromaticContact CD1-CD2 3.88Å; F536-F611 HydrophobicContact CD1-CD2 3.88Å; F536-F611 HydrophobicContact CE1-CB 4Å; F536-F611 AromaticContact CE1-CD2 3.91Å; F536-F611 HydrophobicContact CE1-CD2 3.91Å; F536-F611 HydrophobicContact CE1-CG 4.25Å
537K96.2Very high95.6Very high147 Ų14750.5 Ų50.564%0.63931%0.307SS*.THydrogen-bonded Turntrans-103.18.3173.5-58-178.3-180177.80112.4S535 M539 P604S535-K537 PolarHBondContact O-N 3.19Å; S535-K537 PolarHBondContact OG-N 3.44Å; S535-K537 VanDerWaalsContact OG-N 3.13Å; K537-M539 WeakPolarHBondContact O-CE 3.42Å; K537-M539 PolarHBondContact O-N 3.48Å; K537-P604 HydrophobicContact CD-CG 4.48Å; K537-P604 HydrophobicContact CG-CB 4.04Å; K537-P604 HydrophobicContact CG-CG 3.69Å
538D96.1Very high95.7Very high32 Ų3242.1 Ų42.117%0.17127%0.268CS..  trans-68.7124.6-177.4-163.7-52000111.1I533 S534 S535 S540 I541I533-D538 HydrophobicContact CB-CB 4.23Å; S534-D538 WeakPolarHBondContact CB-OD2 3.26Å; S534-D538 PolarHBondContact N-OD2 3.33Å; S534-D538 PolarHBondContact OG-OD2 3.05Å; S535-D538 VanDerWaalsContact O-CB 3.25Å; S535-D538 WeakPolarHBondContact O-CB 3.47Å; S535-D538 PolarHBondContact O-N 3.15Å; S535-D538 VanDerWaalsContact O-N 3.08Å; D538-S540 VanDerWaalsContact CG-OG 3.3Å; D538-S540 PolarHBondContact O-N 2.94Å; D538-S540 VanDerWaalsContact OD1-CB 3.3Å; D538-S540 WeakPolarHBondContact OD1-CB 3.31Å; D538-S540 PolarHBondContact OD1-N 3.23Å; D538-S540 PolarHBondContact OD1-OG 2.99Å; D538-I541 HydrophobicContact CB-CD1 3.95Å; D538-I541 HydrophobicContact CB-CG1 4.25Å; D538-I541 VanDerWaalsContact O-CB 3.28Å; D538-I541 WeakPolarHBondContact O-CB 3.46Å; D538-I541 WeakPolarHBondContact O-CD1 3.47Å; D538-I541 VanDerWaalsContact O-CG1 3.29Å; D538-I541 WeakPolarHBondContact O-CG1 3.23Å; D538-I541 PolarHBondContact O-N 3.29Å; D538-I541 VanDerWaalsContact O-N 3.15Å
539M95.6Very high95.8Very high118 Ų11840.9 Ų40.958%0.58126%0.255SS*.G310 helixtrans-68.8-17.8-176.9-69.5-5994.400113.9K537 I541 S542 V602K537-M539 WeakPolarHBondContact O-CE 3.42Å; K537-M539 PolarHBondContact O-N 3.48Å; M539-I541 PolarHBondContact O-N 3.03Å; M539-S542 WeakPolarHBondContact O-CB 3.15Å; M539-S542 PolarHBondContact O-N 3.04Å; M539-S542 VanDerWaalsContact O-N 3.1Å; M539-S542 PolarHBondContact O-OG 2.84Å; M539-V602 HydrophobicContact CE-CB 3.5Å; M539-V602 VanDerWaalsContact CE-CB 3.5Å; M539-V602 HydrophobicContact CE-CG1 3.63Å; M539-V602 HydrophobicContact CE-CG2 3.52Å; M539-V602 HydrophobicContact SD-CG2 4.11Å
540S94.9Very high96Very high48 Ų4837.6 Ų37.634%0.33622%0.22SC..G310 helixtrans-59.1-26.3171.761.50000112.3D538 S542 S543 P546D538-S540 VanDerWaalsContact CG-OG 3.3Å; D538-S540 PolarHBondContact O-N 2.94Å; D538-S540 VanDerWaalsContact OD1-CB 3.3Å; D538-S540 WeakPolarHBondContact OD1-CB 3.31Å; D538-S540 PolarHBondContact OD1-N 3.23Å; D538-S540 PolarHBondContact OD1-OG 2.99Å; S540-S542 PolarHBondContact O-N 3.41Å; S540-S543 PolarHBondContact O-N 2.95Å; S540-S543 PolarHBondContact O-OG 3.13Å; S540-P546 WeakPolarHBondContact O-CD 3.45Å
541I97.1Very high96.1Very high0 Ų034.4 Ų34.40%021%0.207CC..G310 helixtrans-64.5-26.2178.5-59167.7000111.6I533 D538 M539 S543 S544 P546 L599 V602 V607 F611I533-I541 HydrophobicContact CD1-CD1 4.39Å; I533-I541 HydrophobicContact CG2-CD1 4.42Å; I533-I541 HydrophobicContact CG2-CG1 4.13Å; D538-I541 HydrophobicContact CB-CD1 3.95Å; D538-I541 HydrophobicContact CB-CG1 4.25Å; D538-I541 VanDerWaalsContact O-CB 3.28Å; D538-I541 WeakPolarHBondContact O-CB 3.46Å; D538-I541 WeakPolarHBondContact O-CD1 3.47Å; D538-I541 VanDerWaalsContact O-CG1 3.29Å; D538-I541 WeakPolarHBondContact O-CG1 3.23Å; D538-I541 PolarHBondContact O-N 3.29Å; D538-I541 VanDerWaalsContact O-N 3.15Å; M539-I541 PolarHBondContact O-N 3.03Å; I541-S543 PolarHBondContact O-N 3.37Å; I541-S543 VanDerWaalsContact O-N 3.11Å; I541-S544 WeakPolarHBondContact O-CA 3.2Å; I541-S544 PolarHBondContact O-N 2.76Å; I541-P546 HydrophobicContact CG1-CG 4.44Å; I541-L599 HydrophobicContact CG2-CD2 4.32Å; I541-V602 HydrophobicContact CB-CG1 4.27Å; I541-V602 HydrophobicContact CB-CG2 4.4Å; I541-V602 HydrophobicContact CD1-CG1 4.42Å; I541-V607 HydrophobicContact CD1-CG1 3.77Å; I541-V607 HydrophobicContact CG2-CG1 4.18Å; I541-V607 HydrophobicContact CG2-CG2 4.17Å; I541-F611 HydrophobicContact CD1-CE2 4.08Å
542S96.4Very high96.3Very high19 Ų1933.3 Ų33.313%0.13319%0.188CC..G310 helixtrans-59.2-25.3177.766.70000113.5M539 S540 S544 K574 L599 V600M539-S542 WeakPolarHBondContact O-CB 3.15Å; M539-S542 PolarHBondContact O-N 3.04Å; M539-S542 VanDerWaalsContact O-N 3.1Å; M539-S542 PolarHBondContact O-OG 2.84Å; S540-S542 PolarHBondContact O-N 3.41Å; S542-S544 VanDerWaalsContact C-N 3.28Å; S542-K574 WeakPolarHBondContact O-CB 3.44Å; S542-L599 WeakPolarHBondContact CA-O 3.4Å; S542-V600 WeakPolarHBondContact CB-O 3.11Å
543S95.6Very high96.3Very high20 Ų2030.9 Ų30.914%0.1418%0.176CC..G310 helixtrans-78.3-11.7174.2700000114S540 I541 M545 N577S540-S543 PolarHBondContact O-N 2.95Å; S540-S543 PolarHBondContact O-OG 3.13Å; I541-S543 PolarHBondContact O-N 3.37Å; I541-S543 VanDerWaalsContact O-N 3.11Å; S543-M545 PolarHBondContact O-N 3.13Å; S543-M545 VanDerWaalsContact O-N 3.12Å; S543-M545 WeakPolarHBondContact OG-CB 3.33Å; S543-M545 WeakPolarHBondContact OG-CG 3.45Å; S543-M545 PolarHBondContact OG-N 3.18Å; S543-M545 VanDerWaalsContact OG-N 3.16Å; S543-N577 PolarHBondContact O-ND2 3.49Å
544S97Very high96.1Very high0 Ų031.6 Ų31.60%018%0.179CC..SBendtrans60.20.7-166.1-57.40000115.8I541 S542 V547 L548 A578I541-S544 WeakPolarHBondContact O-CA 3.2Å; I541-S544 PolarHBondContact O-N 2.76Å; S542-S544 VanDerWaalsContact C-N 3.28Å; S544-V547 WeakPolarHBondContact O-CB 3.48Å; S544-V547 PolarHBondContact O-N 3.41Å; S544-V547 VanDerWaalsContact O-N 3.12Å; S544-L548 WeakPolarHBondContact O-CG 3.49Å; S544-L548 PolarHBondContact O-N 3.43Å; S544-A578 WeakPolarHBondContact OG-CA 3.47Å; S544-A578 VanDerWaalsContact OG-CB 3.3Å; S544-A578 WeakPolarHBondContact OG-CB 3.4Å; S544-A578 PolarHBondContact OG-N 3.37Å
545M95.6Very high96.1Very high25 Ų2528.1 Ų28.112%0.12315%0.153CC..Hα-helixtrans-60.3-44.5-178.7-65.2-54.5-57.200113.6S543 V547 L548 D549 Y561 I566S543-M545 PolarHBondContact O-N 3.13Å; S543-M545 VanDerWaalsContact O-N 3.12Å; S543-M545 WeakPolarHBondContact OG-CB 3.33Å; S543-M545 WeakPolarHBondContact OG-CG 3.45Å; S543-M545 PolarHBondContact OG-N 3.18Å; S543-M545 VanDerWaalsContact OG-N 3.16Å; M545-V547 PolarHBondContact O-N 3.19Å; M545-L548 PolarHBondContact O-N 2.79Å; M545-L548 HydrophobicContact SD-CD1 3.93Å; M545-D549 WeakPolarHBondContact O-CB 3.08Å; M545-D549 PolarHBondContact O-N 3.28Å; M545-Y561 HydrophobicContact CE-CD1 4.2Å; M545-Y561 HydrophobicContact CE-CE1 3.93Å; M545-I566 HydrophobicContact CE-CD1 4.37Å; M545-I566 HydrophobicContact CE-CG1 4.26Å; M545-I566 HydrophobicContact CE-CG2 4.17Å; M545-I566 HydrophobicContact SD-CG1 4.38Å; M545-I566 HydrophobicContact SD-CG2 4.39Å
546P96.8Very high95.9Very high11 Ų1130.7 Ų30.77%0.07117%0.169CC..Hα-helixtrans-60.3-32.9175.8-24.535.1000113.4I533 S540 I541 L550I533-P546 HydrophobicContact CG2-CB 3.69Å; I533-P546 HydrophobicContact CG2-CG 3.97Å; S540-P546 WeakPolarHBondContact O-CD 3.45Å; I541-P546 HydrophobicContact CG1-CG 4.44Å; P546-L550 VanDerWaalsContact O-CB 3.26Å; P546-L550 WeakPolarHBondContact O-CB 3.07Å; P546-L550 PolarHBondContact O-N 3.27Å; P546-L550 VanDerWaalsContact O-N 3.08Å
547V97.7Very high95.7Very high1 Ų133.2 Ų33.21%0.00620%0.2CC..Hα-helixtrans-71.5-44.5177.5-1780000110.3S544 M545 L550 I551 A581 L599 V610 F611 L614S544-V547 WeakPolarHBondContact O-CB 3.48Å; S544-V547 PolarHBondContact O-N 3.41Å; S544-V547 VanDerWaalsContact O-N 3.12Å; M545-V547 PolarHBondContact O-N 3.19Å; V547-L550 PolarHBondContact O-N 3Å; V547-I551 HydrophobicContact CG1-CD1 4.11Å; V547-I551 WeakPolarHBondContact O-CD1 3.24Å; V547-I551 VanDerWaalsContact O-CG1 3.28Å; V547-I551 WeakPolarHBondContact O-CG1 3.38Å; V547-I551 PolarHBondContact O-N 2.91Å; V547-A581 HydrophobicContact CB-CB 4.49Å; V547-A581 HydrophobicContact CG1-CB 4.13Å; V547-L599 HydrophobicContact CG2-CD1 4.43Å; V547-L599 HydrophobicContact CG2-CD2 4.22Å; V547-V610 HydrophobicContact CG1-CG1 4.08Å; V547-F611 HydrophobicContact CG2-CE1 4.38Å; V547-F611 HydrophobicContact CG2-CE2 4.49Å; V547-F611 HydrophobicContact CG2-CZ 3.92Å; V547-L614 HydrophobicContact CG1-CD1 3.99Å
548L97.1Very high95.4Very high0 Ų026.9 Ų26.90%017%0.174CC..Hα-helixtrans-64.6-46.8178-68.5163.3000111.9S544 M545 L550 I551 D552 I559 L564 Y580 A581S544-L548 WeakPolarHBondContact O-CG 3.49Å; S544-L548 PolarHBondContact O-N 3.43Å; M545-L548 PolarHBondContact O-N 2.79Å; M545-L548 HydrophobicContact SD-CD1 3.93Å; L548-L550 VanDerWaalsContact C-N 3.28Å; L548-L550 PolarHBondContact O-N 3.4Å; L548-I551 WeakPolarHBondContact O-CB 3.31Å; L548-I551 PolarHBondContact O-N 3.47Å; L548-D552 PolarHBondContact O-N 3.45Å; L548-I559 HydrophobicContact CD2-CD1 3.92Å; L548-L564 HydrophobicContact CD1-CD1 3.67Å; L548-L564 HydrophobicContact CD2-CD1 4.35Å; L548-Y580 HydrophobicContact CD2-CD1 3.63Å; L548-Y580 HydrophobicContact CD2-CE1 4.1Å; L548-A581 HydrophobicContact CD2-CB 3.67Å; L548-A581 HydrophobicContact CG-CB 3.89Å
549D96.8Very high95.4Very high22 Ų2225.9 Ų25.912%0.11817%0.169CC..Hα-helixtrans-61.5-37.4176.3-76.3-27.4000111.7L525 K530 M545 D552 A553 Y561L525-D549 HydrophobicContact CD2-CB 3.79Å; K530-D549 HydrophobicContact CB-CB 4.13Å; K530-D549 HydrophobicContact CD-CB 4.17Å; K530-D549 HydrophobicContact CG-CB 4.01Å; K530-D549 IonicContact NZ-OD1 3.13Å; K530-D549 PolarHBondContact NZ-OD1 2.99Å; M545-D549 WeakPolarHBondContact O-CB 3.08Å; M545-D549 PolarHBondContact O-N 3.28Å; D549-D552 PolarHBondContact O-N 3.25Å; D549-A553 WeakPolarHBondContact O-CB 3.44Å; D549-A553 PolarHBondContact O-N 3.07Å; D549-Y561 PolarHBondContact OD1-OH 2.81Å
550L97.6Very high95.2Very high0 Ų025 Ų250%016%0.159CC..Hα-helixtrans-68-40.4174.9-178.464.6000111.9W520 V521 T524 L525 P546 V547 L548 D552 A553 I554 F611 L614W520-L550 HydrophobicContact CH2-CD1 4.33Å; W520-L550 HydrophobicContact CZ3-CD1 4Å; W520-L550 HydrophobicContact CZ3-CD2 4.28Å; V521-L550 HydrophobicContact CG1-CD2 4.12Å; V521-L550 HydrophobicContact CG2-CD2 3.93Å; T524-L550 HydrophobicContact CG2-CD1 3.76Å; L525-L550 HydrophobicContact CD2-CB 4.05Å; L525-L550 HydrophobicContact CG-CD1 4.31Å; P546-L550 VanDerWaalsContact O-CB 3.26Å; P546-L550 WeakPolarHBondContact O-CB 3.07Å; P546-L550 PolarHBondContact O-N 3.27Å; P546-L550 VanDerWaalsContact O-N 3.08Å; V547-L550 PolarHBondContact O-N 3Å; L548-L550 VanDerWaalsContact C-N 3.28Å; L548-L550 PolarHBondContact O-N 3.4Å; L550-D552 VanDerWaalsContact C-N 3.33Å; L550-A553 PolarHBondContact O-N 3.07Å; L550-I554 HydrophobicContact CD1-CD1 4.3Å; L550-I554 HydrophobicContact CD1-CG1 4.45Å; L550-I554 HydrophobicContact CG-CD1 3.96Å; L550-I554 WeakPolarHBondContact O-CD1 3.31Å; L550-I554 VanDerWaalsContact O-CG1 3.25Å; L550-I554 WeakPolarHBondContact O-CG1 3.34Å; L550-I554 PolarHBondContact O-N 3.25Å; L550-F611 HydrophobicContact CD2-CD1 3.43Å; L550-F611 VanDerWaalsContact CD2-CD1 3.43Å; L550-F611 HydrophobicContact CD2-CE1 3.65Å; L550-L614 HydrophobicContact CD2-CB 4.1Å; L550-L614 HydrophobicContact CD2-CD1 3.9Å; L550-L614 HydrophobicContact CG-CD1 4.5Å
551I96.9Very high95.1Very high0 Ų025.4 Ų25.40%015%0.153CC..Hα-helixtrans-60.9-44.6174.8-70.2161000110.4V547 L548 A553 I554 Q555 I559 A581 M584 A585 I588 L614V547-I551 HydrophobicContact CG1-CD1 4.11Å; V547-I551 WeakPolarHBondContact O-CD1 3.24Å; V547-I551 VanDerWaalsContact O-CG1 3.28Å; V547-I551 WeakPolarHBondContact O-CG1 3.38Å; V547-I551 PolarHBondContact O-N 2.91Å; L548-I551 WeakPolarHBondContact O-CB 3.31Å; L548-I551 PolarHBondContact O-N 3.47Å; I551-A553 VanDerWaalsContact C-N 3.35Å; I551-I554 PolarHBondContact O-N 3.4Å; I551-Q555 PolarHBondContact O-N 3.22Å; I551-I559 HydrophobicContact CB-CD1 4.18Å; I551-I559 HydrophobicContact CB-CG1 4.42Å; I551-I559 HydrophobicContact CG2-CD1 3.73Å; I551-I559 HydrophobicContact CG2-CG1 4.13Å; I551-A581 WeakPolarHBondContact CD1-O 3.24Å; I551-M584 HydrophobicContact CD1-CB 4.11Å; I551-M584 HydrophobicContact CG2-CB 4.33Å; I551-A585 HydrophobicContact CD1-CB 4.02Å; I551-I588 HydrophobicContact CG1-CD1 4.42Å; I551-I588 HydrophobicContact CG2-CD1 4.17Å; I551-I588 HydrophobicContact CG2-CG2 4.06Å; I551-L614 HydrophobicContact CD1-CD2 4.44Å; I551-L614 HydrophobicContact CG1-CD1 4.21Å; I551-L614 HydrophobicContact CG1-CD2 3.69Å
552D96.1Very high94.8Very high29 Ų2931.6 Ų31.616%0.15519%0.187CC..Hα-helixtrans-66.1-36.9176.6-162.952000111.7L548 D549 L550 I554 Q555 P556 G557 S558 I559 Y561L548-D552 PolarHBondContact O-N 3.45Å; D549-D552 PolarHBondContact O-N 3.25Å; L550-D552 VanDerWaalsContact C-N 3.33Å; D552-I554 PolarHBondContact O-N 3.24Å; D552-Q555 CarbonylContact O-C 3.56Å; D552-Q555 PolarHBondContact O-N 3.4Å; D552-P556 WeakPolarHBondContact O-CA 3.35Å; D552-P556 WeakPolarHBondContact O-CD 3.15Å; D552-G557 PolarHBondContact OD1-N 3.22Å; D552-S558 PolarHBondContact OD1-N 2.77Å; D552-I559 HydrophobicContact CB-CB 4.15Å; D552-I559 HydrophobicContact CB-CG1 3.8Å; D552-Y561 HydrophobicContact CB-CE2 4.44Å
553A96.1Very high94.3Very high26 Ų2633.7 Ų33.722%0.21520%0.196CC..Hα-helixtrans-64.2-40.5173.700000112.4T524 A528 D549 L550 I551T524-A553 HydrophobicContact CG2-CB 3.9Å; A528-A553 HydrophobicContact CB-CB 3.67Å; D549-A553 WeakPolarHBondContact O-CB 3.44Å; D549-A553 PolarHBondContact O-N 3.07Å; L550-A553 PolarHBondContact O-N 3.07Å; I551-A553 VanDerWaalsContact C-N 3.35Å
554I94.6Very high94Very high16 Ų1633.5 Ų33.58%0.08219%0.193CC..Hα-helixtrans-69.2-40.3176-67.5162.4000111.2W520 L550 I551 D552 I588 L614 R621W520-I554 HydrophobicContact CH2-CD1 3.98Å; W520-I554 HydrophobicContact CH2-CG1 4.07Å; L550-I554 HydrophobicContact CD1-CD1 4.3Å; L550-I554 HydrophobicContact CD1-CG1 4.45Å; L550-I554 HydrophobicContact CG-CD1 3.96Å; L550-I554 WeakPolarHBondContact O-CD1 3.31Å; L550-I554 VanDerWaalsContact O-CG1 3.25Å; L550-I554 WeakPolarHBondContact O-CG1 3.34Å; L550-I554 PolarHBondContact O-N 3.25Å; I551-I554 PolarHBondContact O-N 3.4Å; D552-I554 PolarHBondContact O-N 3.24Å; I554-I588 HydrophobicContact CG2-CD1 4.18Å; I554-L614 HydrophobicContact CD1-CB 3.96Å; I554-L614 HydrophobicContact CD1-CD2 4.35Å; I554-L614 WeakPolarHBondContact CD1-O 3.37Å; I554-R621 PolarHBondContact O-NH1 2.73Å
555Q93.1Very high93.6Very high16 Ų1637.6 Ų37.68%0.07521%0.211CC..SBendtrans-13488.1179.2-168.3177.1-53.600111E188 I551 D552 G557 S558 I588E188-Q555 PolarHBondContact OE1-NE2 3.47Å; I551-Q555 PolarHBondContact O-N 3.22Å; D552-Q555 CarbonylContact O-C 3.56Å; D552-Q555 PolarHBondContact O-N 3.4Å; Q555-G557 PolarHBondContact O-N 3.3Å; Q555-S558 WeakPolarHBondContact O-CB 3.39Å; Q555-S558 PolarHBondContact O-N 3.39Å; Q555-S558 VanDerWaalsContact O-N 3.1Å; Q555-S558 PolarHBondContact O-OG 3.24Å; Q555-I588 HydrophobicContact CB-CG2 4.21Å
556P92.9Very high93.2Very high97 Ų9740.5 Ų40.563%0.6323%0.226SC*.THydrogen-bonded Turntrans-57.3132.6-176.1-29.736.6000113.2D552 S558D552-P556 WeakPolarHBondContact O-CA 3.35Å; D552-P556 WeakPolarHBondContact O-CD 3.15Å; P556-S558 VanDerWaalsContact C-N 3.28Å
557G89.4Confident92.6Very high70 Ų7047.3 Ų47.372%0.72226%0.257SS*.THydrogen-bonded Turntrans78.410.2-18000000113.9D552 Q555D552-G557 PolarHBondContact OD1-N 3.22Å; Q555-G557 PolarHBondContact O-N 3.3Å
558S90.3Very high92Very high14 Ų1454.1 Ų54.110%0.09829%0.294CS..  trans-78.3-26.2174.663.10000112.4D552 Q555 P556 M584D552-S558 PolarHBondContact OD1-N 2.77Å; Q555-S558 WeakPolarHBondContact O-CB 3.39Å; Q555-S558 PolarHBondContact O-N 3.39Å; Q555-S558 VanDerWaalsContact O-N 3.1Å; Q555-S558 PolarHBondContact O-OG 3.24Å; P556-S558 VanDerWaalsContact C-N 3.28Å; S558-M584 WeakPolarHBondContact O-CE 3.23Å
559I94.8Very high91.6Very high11 Ų1156 Ų566%0.05630%0.303CS..  trans-94.6130.5179.9-58.6-60.7000110.9L548 I551 D552 Y561 L564 Y580 M584L548-I559 HydrophobicContact CD2-CD1 3.92Å; I551-I559 HydrophobicContact CB-CD1 4.18Å; I551-I559 HydrophobicContact CB-CG1 4.42Å; I551-I559 HydrophobicContact CG2-CD1 3.73Å; I551-I559 HydrophobicContact CG2-CG1 4.13Å; D552-I559 HydrophobicContact CB-CB 4.15Å; D552-I559 HydrophobicContact CB-CG1 3.8Å; I559-Y561 HydrophobicContact CB-CD2 4.3Å; I559-Y561 HydrophobicContact CB-CE2 3.89Å; I559-Y561 HydrophobicContact CG2-CD1 4.03Å; I559-Y561 HydrophobicContact CG2-CD2 3.84Å; I559-Y561 HydrophobicContact CG2-CE1 3.93Å; I559-Y561 HydrophobicContact CG2-CE2 3.72Å; I559-Y561 HydrophobicContact CG2-CG 4.01Å; I559-L564 HydrophobicContact CG2-CD1 4.07Å; I559-Y580 HydrophobicContact CD1-CE1 4.05Å; I559-Y580 HydrophobicContact CG2-CE1 4.29Å; I559-M584 HydrophobicContact CD1-CB 3.89Å; I559-M584 HydrophobicContact CD1-CE 4.08Å; I559-M584 HydrophobicContact CD1-CG 3.74Å
560R92.3Very high91.4Very high99 Ų9958.1 Ų58.137%0.37432%0.317SS..  trans-99.989.1172-70.7-170.5-51.5-143.3-1.6109.3R174 D562 L563 Y580R174-R560 PolarHBondContact O-NH2 3.04Å; R560-D562 WeakPolarHBondContact CB-OD1 3.49Å; R560-D562 PolarHBondContact O-N 3.43Å; R560-L563 HydrophobicContact CB-CD1 4.04Å; R560-L563 HydrophobicContact CB-CG 4.15Å; R560-L563 VanDerWaalsContact NE-CD1 3.26Å; R560-L563 PolarHBondContact O-N 2.9Å; R560-Y580 PolarHBondContact N-OH 3.16Å
561Y92.5Very high91.2Very high57 Ų5763.8 Ų63.822%0.22434%0.344CS..G310 helixtrans-64-21.9-177.4-70-84.5000113.3K530 M545 D549 D552 I559 L563 L564 I566K530-Y561 PolarHBondContact NZ-OH 3.36Å; M545-Y561 HydrophobicContact CE-CD1 4.2Å; M545-Y561 HydrophobicContact CE-CE1 3.93Å; D549-Y561 PolarHBondContact OD1-OH 2.81Å; D552-Y561 HydrophobicContact CB-CE2 4.44Å; I559-Y561 HydrophobicContact CB-CD2 4.3Å; I559-Y561 HydrophobicContact CB-CE2 3.89Å; I559-Y561 HydrophobicContact CG2-CD1 4.03Å; I559-Y561 HydrophobicContact CG2-CD2 3.84Å; I559-Y561 HydrophobicContact CG2-CE1 3.93Å; I559-Y561 HydrophobicContact CG2-CE2 3.72Å; I559-Y561 HydrophobicContact CG2-CG 4.01Å; Y561-L563 PolarHBondContact O-N 3.25Å; Y561-L564 HydrophobicContact CD1-CD1 4.3Å; Y561-L564 PolarHBondContact O-N 2.86Å; Y561-L564 VanDerWaalsContact O-N 3.13Å; Y561-I566 HydrophobicContact CD1-CD1 4.46Å
562D91.2Very high91Very high131 Ų13170.4 Ų70.470%0.70138%0.375SS*.G310 helixtrans-63.7-21.5174.659.7-65.8000113.6R560 L564R560-D562 WeakPolarHBondContact CB-OD1 3.49Å; R560-D562 PolarHBondContact O-N 3.43Å; D562-L564 VanDerWaalsContact C-N 3.35Å
563L86.5Confident90.9Very high63 Ų6371.1 Ų71.133%0.3338%0.377SS..G310 helixtrans-90-2.1177.5-58.3-178000113.4R174 R560 Y561R174-L563 HydrophobicContact CB-CD1 4.33Å; R174-L563 PolarHBondContact NH1-O 3.33Å; R174-L563 VanDerWaalsContact NH1-O 3.13Å; R560-L563 HydrophobicContact CB-CD1 4.04Å; R560-L563 HydrophobicContact CB-CG 4.15Å; R560-L563 VanDerWaalsContact NE-CD1 3.26Å; R560-L563 PolarHBondContact O-N 2.9Å; Y561-L563 PolarHBondContact O-N 3.25Å
564L89.8Confident90.9Very high16 Ų1671.8 Ų71.88%0.08438%0.375CS..SBendtrans-112.3139.9-172.7-59.1177.8000110.2L548 I559 Y561 D562 Y580L548-L564 HydrophobicContact CD1-CD1 3.67Å; L548-L564 HydrophobicContact CD2-CD1 4.35Å; I559-L564 HydrophobicContact CG2-CD1 4.07Å; Y561-L564 HydrophobicContact CD1-CD1 4.3Å; Y561-L564 PolarHBondContact O-N 2.86Å; Y561-L564 VanDerWaalsContact O-N 3.13Å; D562-L564 VanDerWaalsContact C-N 3.35Å; L564-Y580 HydrophobicContact CD1-CD1 4.29Å; L564-Y580 HydrophobicContact CD1-CE1 4.34Å; L564-Y580 HydrophobicContact CD2-CD1 3.71Å; L564-Y580 HydrophobicContact CD2-CE1 4.27Å; L564-Y580 HydrophobicContact CD2-CG 3.87Å; L564-Y580 HydrophobicContact CG-CD1 4.45Å
565K87.9Confident90.9Very high86 Ų8673 Ų7337%0.37438%0.382SS..  trans-87.3136164.3-156.9-171.4-178.6-165.80108.1E567 D568 L569 E573 N577K565-E567 WeakPolarHBondContact CE-O 3.27Å; K565-D568 PolarHBondContact NZ-O 2.97Å; K565-L569 HydrophobicContact CB-CD2 4.06Å; K565-L569 HydrophobicContact CD-CD2 4.39Å; K565-L569 HydrophobicContact CG-CD2 4.27Å; K565-L569 VanDerWaalsContact O-CD2 3.27Å; K565-L569 WeakPolarHBondContact O-CD2 3.32Å; K565-E573 HydrophobicContact CD-CB 4.48Å; K565-E573 HydrophobicContact CD-CG 3.99Å; K565-E573 WeakPolarHBondContact CD-OE1 3.32Å; K565-E573 WeakPolarHBondContact CD-OE2 3.19Å; K565-E573 WeakPolarHBondContact CE-OE1 3.34Å; K565-E573 WeakPolarHBondContact CE-OE2 3.39Å; K565-E573 IonicContact NZ-OE1 2.72Å; K565-E573 PolarHBondContact NZ-OE1 3.16Å; K565-E573 IonicContact NZ-OE2 3.77Å; K565-E573 PolarHBondContact NZ-OE2 3.32Å; K565-N577 PolarHBondContact O-ND2 2.98Å
566I86Confident91Very high86 Ų8675 Ų7544%0.44139%0.393SS..  trans-118.3-32-173.6-53176000111.1M545 Y561M545-I566 HydrophobicContact CE-CD1 4.37Å; M545-I566 HydrophobicContact CE-CG1 4.26Å; M545-I566 HydrophobicContact CE-CG2 4.17Å; M545-I566 HydrophobicContact SD-CG1 4.38Å; M545-I566 HydrophobicContact SD-CG2 4.39Å; Y561-I566 HydrophobicContact CD1-CD1 4.46Å
567E85.3Confident91.1Very high153 Ų15370.6 Ų70.672%0.71536%0.364SS*.SBendtrans-109.7155.7-178.6-63-179.7175.400111K565 L569K565-E567 WeakPolarHBondContact CE-O 3.27Å; E567-L569 VanDerWaalsContact C-N 3.34Å; E567-L569 PolarHBondContact O-N 2.93Å
568D84.1Confident91.5Very high145 Ų14567.2 Ų67.278%0.77533%0.329SS*.SBendtrans48.750.7177.9-60.9-35.1000113.7K565 T570K565-D568 PolarHBondContact NZ-O 2.97Å; D568-T570 PolarHBondContact O-N 3.37Å
569L88.9Confident91.7Very high38 Ų3868.2 Ų68.220%0.19933%0.332CS..  trans-72.8119.2-174.5-59.6177.5000112.2K565 E567 E573 K574K565-L569 HydrophobicContact CB-CD2 4.06Å; K565-L569 HydrophobicContact CD-CD2 4.39Å; K565-L569 HydrophobicContact CG-CD2 4.27Å; K565-L569 VanDerWaalsContact O-CD2 3.27Å; K565-L569 WeakPolarHBondContact O-CD2 3.32Å; E567-L569 VanDerWaalsContact C-N 3.34Å; E567-L569 PolarHBondContact O-N 2.93Å; L569-E573 WeakPolarHBondContact CA-OE2 3.24Å; L569-E573 HydrophobicContact CD2-CB 4.14Å; L569-K574 HydrophobicContact CB-CG 4Å; L569-K574 HydrophobicContact CD1-CG 4.32Å
570T93.4Very high91.9Very high68 Ų6867.8 Ų67.842%0.41733%0.33SS..  trans-74.5165.1162.370.80000110.6D568 E572 E573 K574D568-T570 PolarHBondContact O-N 3.37Å; T570-E572 PolarHBondContact O-N 2.78Å; T570-E573 PolarHBondContact N-OE2 3.05Å; T570-E573 PolarHBondContact O-N 2.85Å; T570-E573 VanDerWaalsContact O-N 3.13Å; T570-E573 VanDerWaalsContact OG1-CG 3.31Å; T570-E573 WeakPolarHBondContact OG1-CG 3.33Å; T570-E573 PolarHBondContact OG1-N 2.93Å; T570-E573 PolarHBondContact OG1-OE2 3.39Å; T570-K574 WeakPolarHBondContact O-CG 3.38Å; T570-K574 PolarHBondContact O-N 2.9Å
571E92.1Very high92.1Very high118 Ų11863.1 Ų63.155%0.55131%0.312SS*.Hα-helixtrans-60.4-34.4174.9-65.8-57.4121.500112.3K574 L575E571-K574 PolarHBondContact O-N 3.28Å; E571-K574 IonicContact OE1-NZ 2.69Å; E571-K574 PolarHBondContact OE1-NZ 3.31Å; E571-L575 WeakPolarHBondContact O-CB 3.48Å; E571-L575 PolarHBondContact O-N 2.72Å
572E93.2Very high92.3Very high139 Ų13960.6 Ų60.665%0.6530%0.303SS*.Hα-helixtrans-65.2-40.2174.4-173.3-177.517000111.8T570 L575 N576T570-E572 PolarHBondContact O-N 2.78Å; E572-L575 WeakPolarHBondContact O-CB 3.41Å; E572-L575 PolarHBondContact O-N 2.72Å; E572-N576 WeakPolarHBondContact O-CB 3.25Å; E572-N576 VanDerWaalsContact O-CG 3.29Å; E572-N576 PolarHBondContact O-N 3.04Å; E572-N576 PolarHBondContact O-ND2 3.37Å
573E94.3Very high92.6Very high45 Ų4554.5 Ų54.521%0.2127%0.27CS..Hα-helixtrans-70.6-38.2178.6-69.8162.2165.500111.9K565 L569 T570 L575 N576 N577K565-E573 HydrophobicContact CD-CB 4.48Å; K565-E573 HydrophobicContact CD-CG 3.99Å; K565-E573 WeakPolarHBondContact CD-OE1 3.32Å; K565-E573 WeakPolarHBondContact CD-OE2 3.19Å; K565-E573 WeakPolarHBondContact CE-OE1 3.34Å; K565-E573 WeakPolarHBondContact CE-OE2 3.39Å; K565-E573 IonicContact NZ-OE1 2.72Å; K565-E573 PolarHBondContact NZ-OE1 3.16Å; K565-E573 IonicContact NZ-OE2 3.77Å; K565-E573 PolarHBondContact NZ-OE2 3.32Å; L569-E573 WeakPolarHBondContact CA-OE2 3.24Å; L569-E573 HydrophobicContact CD2-CB 4.14Å; T570-E573 PolarHBondContact N-OE2 3.05Å; T570-E573 PolarHBondContact O-N 2.85Å; T570-E573 VanDerWaalsContact O-N 3.13Å; T570-E573 VanDerWaalsContact OG1-CG 3.31Å; T570-E573 WeakPolarHBondContact OG1-CG 3.33Å; T570-E573 PolarHBondContact OG1-N 2.93Å; T570-E573 PolarHBondContact OG1-OE2 3.39Å; E573-L575 VanDerWaalsContact C-N 3.31Å; E573-L575 PolarHBondContact O-N 3.22Å; E573-N576 PolarHBondContact O-N 3.33Å; E573-N577 WeakPolarHBondContact O-CB 3.41Å; E573-N577 PolarHBondContact O-N 3.42Å
574K95.6Very high93.1Very high39 Ų3951.6 Ų51.617%0.1726%0.255CS..Hα-helixtrans-58.7-44.2169.8-69.6179.2-173169.50111.3S542 L569 T570 E571 N577 A578 V600S542-K574 WeakPolarHBondContact O-CB 3.44Å; L569-K574 HydrophobicContact CB-CG 4Å; L569-K574 HydrophobicContact CD1-CG 4.32Å; T570-K574 WeakPolarHBondContact O-CG 3.38Å; T570-K574 PolarHBondContact O-N 2.9Å; E571-K574 PolarHBondContact O-N 3.28Å; E571-K574 IonicContact OE1-NZ 2.69Å; E571-K574 PolarHBondContact OE1-NZ 3.31Å; K574-N577 PolarHBondContact O-N 2.98Å; K574-A578 WeakPolarHBondContact O-CB 3.5Å; K574-A578 PolarHBondContact O-N 3.43Å; K574-V600 HydrophobicContact CB-CG1 4.06Å; K574-V600 HydrophobicContact CB-CG2 4.01Å; K574-V600 HydrophobicContact CD-CG1 4.25Å
575L95.1Very high93.4Very high42 Ų4250.9 Ų50.922%0.2225%0.251CS..Hα-helixtrans-63.9-42.9177.4-172.466.7000111.8E571 E572 E573 N577 A578 K579 P596 E597 V600E571-L575 WeakPolarHBondContact O-CB 3.48Å; E571-L575 PolarHBondContact O-N 2.72Å; E572-L575 WeakPolarHBondContact O-CB 3.41Å; E572-L575 PolarHBondContact O-N 2.72Å; E573-L575 VanDerWaalsContact C-N 3.31Å; E573-L575 PolarHBondContact O-N 3.22Å; L575-N577 VanDerWaalsContact C-N 3.35Å; L575-N577 PolarHBondContact O-N 3.37Å; L575-A578 PolarHBondContact O-N 3.14Å; L575-K579 WeakPolarHBondContact O-CG 3.47Å; L575-K579 PolarHBondContact O-N 2.8Å; L575-P596 HydrophobicContact CD1-CB 3.64Å; L575-E597 HydrophobicContact CD1-CG 3.86Å; L575-V600 HydrophobicContact CB-CG2 4.46Å; L575-V600 HydrophobicContact CD1-CG2 4.34Å
576N94.9Very high93.8Very high58 Ų5847.3 Ų47.331%0.3124%0.235SC..Hα-helixtrans-63.2-39.3176.1-75.2-29.5000112.3R174 E572 E573 Y580R174-N576 PolarHBondContact NH2-O 3.23Å; E572-N576 WeakPolarHBondContact O-CB 3.25Å; E572-N576 VanDerWaalsContact O-CG 3.29Å; E572-N576 PolarHBondContact O-N 3.04Å; E572-N576 PolarHBondContact O-ND2 3.37Å; E573-N576 PolarHBondContact O-N 3.33Å; N576-Y580 PolarHBondContact O-N 2.91Å; N576-Y580 VanDerWaalsContact O-N 3.14Å
577N96.3Very high94.3Very high4 Ų443.8 Ų43.82%0.02122%0.217CC..Hα-helixtrans-66.4-39.2173.4-72.8-3.9000111.4S543 K565 E573 K574 L575 Y580 A581S543-N577 PolarHBondContact O-ND2 3.49Å; K565-N577 PolarHBondContact O-ND2 2.98Å; E573-N577 WeakPolarHBondContact O-CB 3.41Å; E573-N577 PolarHBondContact O-N 3.42Å; K574-N577 PolarHBondContact O-N 2.98Å; L575-N577 VanDerWaalsContact C-N 3.35Å; L575-N577 PolarHBondContact O-N 3.37Å; N577-Y580 PolarHBondContact O-N 3.37Å; N577-A581 WeakPolarHBondContact O-CB 3.44Å; N577-A581 PolarHBondContact O-N 2.92Å
578A96.5Very high94.7Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-66.5-42.2177.400000112.6S544 K574 L575 Y580 A581 I582 P596 L599 V600S544-A578 WeakPolarHBondContact OG-CA 3.47Å; S544-A578 VanDerWaalsContact OG-CB 3.3Å; S544-A578 WeakPolarHBondContact OG-CB 3.4Å; S544-A578 PolarHBondContact OG-N 3.37Å; K574-A578 WeakPolarHBondContact O-CB 3.5Å; K574-A578 PolarHBondContact O-N 3.43Å; L575-A578 PolarHBondContact O-N 3.14Å; A578-Y580 VanDerWaalsContact C-N 3.3Å; A578-Y580 PolarHBondContact O-N 3.21Å; A578-A581 PolarHBondContact O-N 2.86Å; A578-I582 WeakPolarHBondContact O-CG1 3.34Å; A578-I582 PolarHBondContact O-N 3.44Å; A578-P596 HydrophobicContact CB-CB 3.83Å; A578-P596 WeakPolarHBondContact CB-O 3.4Å; A578-L599 HydrophobicContact CB-CB 4.2Å; A578-L599 HydrophobicContact CB-CD1 4.27Å; A578-V600 HydrophobicContact CB-CG2 4.03Å
579K95.9Very high95Very high35 Ų3530.8 Ų30.815%0.15216%0.158CC..Hα-helixtrans-56.7-45.2172.3-75.5-179-178.1-174.70111.2D169 L575 S583 P596D169-K579 VanDerWaalsContact CG-NZ 3.3Å; D169-K579 IonicContact OD1-NZ 3.27Å; D169-K579 IonicContact OD2-NZ 2.99Å; D169-K579 PolarHBondContact OD2-NZ 3.19Å; L575-K579 WeakPolarHBondContact O-CG 3.47Å; L575-K579 PolarHBondContact O-N 2.8Å; K579-S583 WeakPolarHBondContact O-CB 3.24Å; K579-S583 PolarHBondContact O-N 2.84Å; K579-S583 VanDerWaalsContact O-N 3.16Å; K579-S583 PolarHBondContact O-OG 3.39Å; K579-P596 HydrophobicContact CB-CG 4.38Å; K579-P596 HydrophobicContact CG-CB 3.86Å; K579-P596 HydrophobicContact CG-CG 3.56Å
580Y97.1Very high95.2Very high2 Ų229.1 Ų29.11%0.00815%0.15CC..Hα-helixtrans-64.3-46.5176.2-171.4-94.3000111.8D172 R174 T175 L548 I559 R560 L564 N576 N577 A578 I582 S583 M584D172-Y580 WeakPolarHBondContact OD2-CA 3.39Å; D172-Y580 WeakPolarHBondContact OD2-CB 3.16Å; R174-Y580 HydrophobicContact CB-CD2 4.36Å; R174-Y580 HydrophobicContact CB-CE2 4.22Å; T175-Y580 HydrophobicContact CG2-CD2 3.64Å; T175-Y580 HydrophobicContact CG2-CE2 3.59Å; T175-Y580 HydrophobicContact CG2-CG 4.33Å; L548-Y580 HydrophobicContact CD2-CD1 3.63Å; L548-Y580 HydrophobicContact CD2-CE1 4.1Å; I559-Y580 HydrophobicContact CD1-CE1 4.05Å; I559-Y580 HydrophobicContact CG2-CE1 4.29Å; R560-Y580 PolarHBondContact N-OH 3.16Å; L564-Y580 HydrophobicContact CD1-CD1 4.29Å; L564-Y580 HydrophobicContact CD1-CE1 4.34Å; L564-Y580 HydrophobicContact CD2-CD1 3.71Å; L564-Y580 HydrophobicContact CD2-CE1 4.27Å; L564-Y580 HydrophobicContact CD2-CG 3.87Å; L564-Y580 HydrophobicContact CG-CD1 4.45Å; N576-Y580 PolarHBondContact O-N 2.91Å; N576-Y580 VanDerWaalsContact O-N 3.14Å; N577-Y580 PolarHBondContact O-N 3.37Å; A578-Y580 VanDerWaalsContact C-N 3.3Å; A578-Y580 PolarHBondContact O-N 3.21Å; Y580-I582 PolarHBondContact O-N 3.49Å; Y580-S583 PolarHBondContact O-N 3.27Å; Y580-M584 HydrophobicContact CD1-CG 3.87Å; Y580-M584 HydrophobicContact CE1-CG 3.46Å; Y580-M584 VanDerWaalsContact CE1-CG 3.46Å; Y580-M584 HydrophobicContact CE1-SD 4.32Å; Y580-M584 HydrophobicContact CE2-CG 4.38Å; Y580-M584 HydrophobicContact CG-CG 4.46Å; Y580-M584 WeakPolarHBondContact O-CB 3.32Å; Y580-M584 WeakPolarHBondContact O-CG 3.19Å; Y580-M584 PolarHBondContact O-N 2.91Å
581A97.3Very high94.9Very high0 Ų031 Ų310%015%0.149CC..Hα-helixtrans-60.6-46-179.300000112.7V547 L548 I551 N577 A578 M584 A585 L599V547-A581 HydrophobicContact CB-CB 4.49Å; V547-A581 HydrophobicContact CG1-CB 4.13Å; L548-A581 HydrophobicContact CD2-CB 3.67Å; L548-A581 HydrophobicContact CG-CB 3.89Å; I551-A581 WeakPolarHBondContact CD1-O 3.24Å; N577-A581 WeakPolarHBondContact O-CB 3.44Å; N577-A581 PolarHBondContact O-N 2.92Å; A578-A581 PolarHBondContact O-N 2.86Å; A581-M584 PolarHBondContact O-N 3.12Å; A581-A585 WeakPolarHBondContact O-CB 3.47Å; A581-A585 PolarHBondContact O-N 3.06Å; A581-L599 HydrophobicContact CB-CD1 4.48Å
582I97.1Very high94.8Very high5 Ų525.5 Ų25.53%0.02612%0.124CC..Hα-helixtrans-64.8-43.4178.6-71.1166.8000110.9A578 Y580 M584 A585 R586 V592 L595 P596 L599A578-I582 WeakPolarHBondContact O-CG1 3.34Å; A578-I582 PolarHBondContact O-N 3.44Å; Y580-I582 PolarHBondContact O-N 3.49Å; I582-M584 VanDerWaalsContact C-N 3.34Å; I582-M584 PolarHBondContact O-N 2.89Å; I582-A585 PolarHBondContact O-N 3.07Å; I582-R586 VanDerWaalsContact CG2-CZ 3.49Å; I582-R586 WeakPolarHBondContact O-CG 3.39Å; I582-R586 PolarHBondContact O-N 3.15Å; I582-V592 HydrophobicContact CG2-CG1 4.49Å; I582-L595 WeakPolarHBondContact CD1-O 3.37Å; I582-P596 VanDerWaalsContact CD1-CA 3.42Å; I582-P596 HydrophobicContact CD1-CB 4.21Å; I582-P596 HydrophobicContact CD1-CG 3.9Å; I582-L599 HydrophobicContact CD1-CD1 4.28Å; I582-L599 HydrophobicContact CG1-CD1 4.08Å
583S97.1Very high94.6Very high3 Ų319.8 Ų19.82%0.02110%0.096CC..Hα-helixtrans-63.3-42.3177.3-58.40000111D172 L192 K579 Y580 R586 K587D172-S583 WeakPolarHBondContact CB-OG 3.46Å; D172-S583 PolarHBondContact N-OG 2.71Å; L192-S583 VanDerWaalsContact CD1-O 3.3Å; L192-S583 WeakPolarHBondContact CD1-O 3.37Å; K579-S583 WeakPolarHBondContact O-CB 3.24Å; K579-S583 PolarHBondContact O-N 2.84Å; K579-S583 VanDerWaalsContact O-N 3.16Å; K579-S583 PolarHBondContact O-OG 3.39Å; Y580-S583 PolarHBondContact O-N 3.27Å; S583-R586 PolarHBondContact O-N 3.49Å; S583-K587 WeakPolarHBondContact O-CB 3.42Å; S583-K587 PolarHBondContact O-N 3.46Å
584M97.1Very high94.4Very high1 Ų117.6 Ų17.61%0.0059%0.086CC..Hα-helixtrans-65.4-40.1175.1-73.7-55.9-50.400112.9T175 I551 S558 I559 Y580 A581 I582 R586 K587 I588T175-M584 HydrophobicContact CG2-CG 3.73Å; T175-M584 HydrophobicContact CG2-SD 3.56Å; T175-M584 VanDerWaalsContact CG2-SD 3.56Å; I551-M584 HydrophobicContact CD1-CB 4.11Å; I551-M584 HydrophobicContact CG2-CB 4.33Å; S558-M584 WeakPolarHBondContact O-CE 3.23Å; I559-M584 HydrophobicContact CD1-CB 3.89Å; I559-M584 HydrophobicContact CD1-CE 4.08Å; I559-M584 HydrophobicContact CD1-CG 3.74Å; Y580-M584 HydrophobicContact CD1-CG 3.87Å; Y580-M584 HydrophobicContact CE1-CG 3.46Å; Y580-M584 VanDerWaalsContact CE1-CG 3.46Å; Y580-M584 HydrophobicContact CE1-SD 4.32Å; Y580-M584 HydrophobicContact CE2-CG 4.38Å; Y580-M584 HydrophobicContact CG-CG 4.46Å; Y580-M584 WeakPolarHBondContact O-CB 3.32Å; Y580-M584 WeakPolarHBondContact O-CG 3.19Å; Y580-M584 PolarHBondContact O-N 2.91Å; A581-M584 PolarHBondContact O-N 3.12Å; I582-M584 VanDerWaalsContact C-N 3.34Å; I582-M584 PolarHBondContact O-N 2.89Å; M584-R586 VanDerWaalsContact C-N 3.32Å; M584-R586 PolarHBondContact O-N 2.89Å; M584-K587 HydrophobicContact CE-CD 3.99Å; M584-K587 WeakPolarHBondContact O-CB 3.37Å; M584-K587 PolarHBondContact O-N 2.87Å; M584-K587 HydrophobicContact SD-CD 3.95Å; M584-I588 PolarHBondContact O-N 3.31Å
585A96.8Very high94.2Very high1 Ų117.2 Ų17.21%0.0089%0.086CC..Hα-helixtrans-58.2-4617400000110.9I551 A581 I582 I588 G589 A590 V592 L614I551-A585 HydrophobicContact CD1-CB 4.02Å; A581-A585 WeakPolarHBondContact O-CB 3.47Å; A581-A585 PolarHBondContact O-N 3.06Å; I582-A585 PolarHBondContact O-N 3.07Å; A585-I588 WeakPolarHBondContact O-CG1 3.49Å; A585-G589 PolarHBondContact O-N 3.25Å; A585-A590 HydrophobicContact CB-CB 4.32Å; A585-A590 WeakPolarHBondContact O-CA 3.26Å; A585-A590 VanDerWaalsContact O-CB 3.26Å; A585-A590 WeakPolarHBondContact O-CB 3.4Å; A585-A590 PolarHBondContact O-N 3.17Å; A585-V592 HydrophobicContact CB-CG2 3.91Å; A585-L614 HydrophobicContact CB-CD2 3.94Å
586R96.4Very high94.1Very high11 Ų1116 Ų164%0.0428%0.08CC..Hα-helixtrans-64.2-40.3175.9-70.2177.9-175155.56112.3T170 L192 N195 S196 A199 I582 S583 M584 G589 A590 V592T170-R586 PolarHBondContact O-NH1 2.83Å; L192-R586 HydrophobicContact CD1-CB 4.07Å; N195-R586 HydrophobicContact CB-CB 3.77Å; N195-R586 HydrophobicContact CB-CG 3.92Å; N195-R586 PolarHBondContact ND2-O 2.72Å; S196-R586 WeakPolarHBondContact OG-CD 3.2Å; A199-R586 VanDerWaalsContact CB-CZ 3.47Å; I582-R586 VanDerWaalsContact CG2-CZ 3.49Å; I582-R586 WeakPolarHBondContact O-CG 3.39Å; I582-R586 PolarHBondContact O-N 3.15Å; S583-R586 PolarHBondContact O-N 3.49Å; M584-R586 VanDerWaalsContact C-N 3.32Å; M584-R586 PolarHBondContact O-N 2.89Å; R586-G589 WeakPolarHBondContact O-CA 3.48Å; R586-G589 PolarHBondContact O-N 3.37Å; R586-A590 WeakPolarHBondContact CA-O 3.39Å; R586-V592 PolarHBondContact NE-O 3.4Å; R586-V592 VanDerWaalsContact NE-O 3.14Å; R586-V592 PolarHBondContact NH2-O 3.45Å
587K96Very high94Very high12 Ų1216 Ų165%0.0528%0.078CC..Hα-helixtrans-61.4-45178-174.6178.7179.11790112.5T175 N177 E188 N191 L192 S583 M584 G589T175-K587 WeakPolarHBondContact O-CD 3.37Å; T175-K587 WeakPolarHBondContact O-CE 3.43Å; T175-K587 PolarHBondContact O-NZ 2.86Å; N177-K587 VanDerWaalsContact ND2-CE 3.34Å; N177-K587 WeakPolarHBondContact ND2-CE 3Å; N177-K587 PolarHBondContact ND2-NZ 2.62Å; N177-K587 PolarHBondContact OD1-NZ 2.99Å; E188-K587 HydrophobicContact CB-CD 4.37Å; E188-K587 HydrophobicContact CB-CG 3.85Å; E188-K587 HydrophobicContact CG-CG 4.43Å; E188-K587 WeakPolarHBondContact OE2-CE 3.47Å; E188-K587 IonicContact OE2-NZ 2.77Å; N191-K587 WeakPolarHBondContact CB-O 3.46Å; L192-K587 HydrophobicContact CB-CB 4.1Å; L192-K587 HydrophobicContact CB-CG 4.36Å; L192-K587 HydrophobicContact CD1-CB 4.36Å; S583-K587 WeakPolarHBondContact O-CB 3.42Å; S583-K587 PolarHBondContact O-N 3.46Å; M584-K587 HydrophobicContact CE-CD 3.99Å; M584-K587 WeakPolarHBondContact O-CB 3.37Å; M584-K587 PolarHBondContact O-N 2.87Å; M584-K587 HydrophobicContact SD-CD 3.95Å; K587-G589 PolarHBondContact O-N 3.19Å
588I94.1Very high93.9Very high1 Ų116.3 Ų16.31%0.0058%0.08CC..Hα-helixtrans-70.4-12.5176.168.2160.3000112.4I551 I554 Q555 M584 A585 L614 R617I551-I588 HydrophobicContact CG1-CD1 4.42Å; I551-I588 HydrophobicContact CG2-CD1 4.17Å; I551-I588 HydrophobicContact CG2-CG2 4.06Å; I554-I588 HydrophobicContact CG2-CD1 4.18Å; Q555-I588 HydrophobicContact CB-CG2 4.21Å; M584-I588 PolarHBondContact O-N 3.31Å; A585-I588 WeakPolarHBondContact O-CG1 3.49Å; I588-L614 HydrophobicContact CD1-CD2 3.9Å; I588-R617 HydrophobicContact CD1-CG 4.07Å; I588-R617 HydrophobicContact CG1-CG 4.34Å; I588-R617 WeakPolarHBondContact O-CD 3.48Å; I588-R617 PolarHBondContact O-NE 3.31Å; I588-R617 PolarHBondContact O-NH2 3.02Å
589G90.8Very high93.9Very high25 Ų2516.3 Ų16.326%0.2588%0.08SC..THydrogen-bonded Turntrans111.38.1174.800000115.4N195 A585 R586 K587N195-G589 WeakPolarHBondContact ND2-CA 3.27Å; A585-G589 PolarHBondContact O-N 3.25Å; R586-G589 WeakPolarHBondContact O-CA 3.48Å; R586-G589 PolarHBondContact O-N 3.37Å; K587-G589 PolarHBondContact O-N 3.19Å
590A91.7Very high93.9Very high2 Ų215.6 Ų15.62%0.0178%0.078CC..  trans-77.7132.5176.400000111.2A585 R586 V592 C613 L614 R617A585-A590 HydrophobicContact CB-CB 4.32Å; A585-A590 WeakPolarHBondContact O-CA 3.26Å; A585-A590 VanDerWaalsContact O-CB 3.26Å; A585-A590 WeakPolarHBondContact O-CB 3.4Å; A585-A590 PolarHBondContact O-N 3.17Å; R586-A590 WeakPolarHBondContact CA-O 3.39Å; A590-V592 VanDerWaalsContact C-N 3.35Å; A590-V592 HydrophobicContact CB-CG2 4.05Å; A590-V592 PolarHBondContact O-N 2.86Å; A590-C613 HydrophobicContact CB-CB 4.31Å; A590-L614 HydrophobicContact CB-CD2 4.03Å; A590-R617 HydrophobicContact CB-CB 4.4Å
591R87.7Confident93.8Very high107 Ų10719.6 Ų19.640%0.40410%0.097SC..  trans-85.372.1-178.6-68.2-176.8176.1-176.1-1.9111.7C613R591-C613 PolarHBondContact O-SG 3.29Å
592V90.6Very high93.8Very high3 Ų319.9 Ų19.92%0.01810%0.099CC..  trans-92.6121.5-175.6179.40000112.1I582 A585 R586 A590 A594 V610 C613I582-V592 HydrophobicContact CG2-CG1 4.49Å; A585-V592 HydrophobicContact CB-CG2 3.91Å; R586-V592 PolarHBondContact NE-O 3.4Å; R586-V592 VanDerWaalsContact NE-O 3.14Å; R586-V592 PolarHBondContact NH2-O 3.45Å; A590-V592 VanDerWaalsContact C-N 3.35Å; A590-V592 HydrophobicContact CB-CG2 4.05Å; A590-V592 PolarHBondContact O-N 2.86Å; V592-A594 HydrophobicContact CG1-CB 3.91Å; V592-V610 HydrophobicContact CG1-CG2 3.77Å; V592-C613 HydrophobicContact CG2-CB 4.04Å
593Y88Confident93.6Very high19 Ų1923.8 Ų23.88%0.07512%0.116CC..  trans-98.8-8.4174.8-61.9-84.9000113.8S198 W399 S402 M495S198-Y593 PolarHBondContact OG-OH 2.9Å; S198-Y593 VanDerWaalsContact OG-OH 3.11Å; W399-Y593 HydrophobicContact CB-CD1 4.16Å; W399-Y593 HydrophobicContact CB-CE1 4.37Å; W399-Y593 HydrophobicContact CB-CG 4.37Å; W399-Y593 AromaticContact CD1-CE2 3.78Å; W399-Y593 AromaticContact CD1-CZ 3.95Å; S402-Y593 PolarHBondContact OG-OH 3.08Å; M495-Y593 HydrophobicContact CE-CD2 4.06Å; M495-Y593 HydrophobicContact CE-CG 4.29Å
594A90Very high93.3Very high0 Ų026.1 Ų26.10%013%0.131CC..  trans-61.4149.317700000111.8V592 D598 M606 V610V592-A594 HydrophobicContact CG1-CB 3.91Å; A594-D598 HydrophobicContact CB-CB 4.47Å; A594-M606 VanDerWaalsContact CA-CE 3.45Å; A594-M606 HydrophobicContact CB-CB 4.34Å; A594-M606 HydrophobicContact CB-CE 3.8Å; A594-V610 HydrophobicContact CB-CG2 3.44Å; A594-V610 VanDerWaalsContact CB-CG2 3.44Å
595L91.4Very high93Very high31 Ų3130 Ų3016%0.16215%0.148CC..  trans-92.7155.8172.5-61.2176.3000110.5R391 I582 E597 D598R391-L595 HydrophobicContact CB-CD1 3.9Å; R391-L595 HydrophobicContact CG-CD1 4.05Å; I582-L595 WeakPolarHBondContact CD1-O 3.37Å; L595-E597 WeakPolarHBondContact CB-OE2 2.95Å; L595-E597 PolarHBondContact O-N 2.95Å; L595-D598 PolarHBondContact N-OD2 3.02Å; L595-D598 VanDerWaalsContact O-CB 3.31Å; L595-D598 WeakPolarHBondContact O-CB 3.37Å; L595-D598 PolarHBondContact O-N 3.04Å
596P93.8Very high92.7Very high16 Ų1630.6 Ų30.610%0.10415%0.151CC..Hα-helixtrans-52.5-40.8177.7-28.135.8000113.2L575 A578 K579 I582 D598 L599 V600L575-P596 HydrophobicContact CD1-CB 3.64Å; A578-P596 HydrophobicContact CB-CB 3.83Å; A578-P596 WeakPolarHBondContact CB-O 3.4Å; K579-P596 HydrophobicContact CB-CG 4.38Å; K579-P596 HydrophobicContact CG-CB 3.86Å; K579-P596 HydrophobicContact CG-CG 3.56Å; I582-P596 VanDerWaalsContact CD1-CA 3.42Å; I582-P596 HydrophobicContact CD1-CB 4.21Å; I582-P596 HydrophobicContact CD1-CG 3.9Å; P596-D598 PolarHBondContact O-N 3.19Å; P596-L599 PolarHBondContact O-N 2.94Å; P596-L599 VanDerWaalsContact O-N 3.17Å; P596-V600 PolarHBondContact O-N 3.15Å
597E93.5Very high92.6Very high58 Ų5830 Ų3027%0.27115%0.149SC..Hα-helixtrans-65.7-26.9-179.9-58.377.1-173.100112.8L575 L595 L599 V600 E601L575-E597 HydrophobicContact CD1-CG 3.86Å; L595-E597 WeakPolarHBondContact CB-OE2 2.95Å; L595-E597 PolarHBondContact O-N 2.95Å; E597-L599 PolarHBondContact O-N 2.64Å; E597-V600 PolarHBondContact O-N 2.57Å; E597-E601 WeakPolarHBondContact O-CB 3.24Å; E597-E601 WeakPolarHBondContact O-CG 3.23Å; E597-E601 PolarHBondContact O-N 3.27Å
598D93.5Very high92.4Very high11 Ų1129.6 Ų29.66%0.05915%0.147CC..Hα-helixtrans-65.3-31.3176.9-66-41.3000111.8A594 L595 P596 V602 K603 M606A594-D598 HydrophobicContact CB-CB 4.47Å; L595-D598 PolarHBondContact N-OD2 3.02Å; L595-D598 VanDerWaalsContact O-CB 3.31Å; L595-D598 WeakPolarHBondContact O-CB 3.37Å; L595-D598 PolarHBondContact O-N 3.04Å; P596-D598 PolarHBondContact O-N 3.19Å; D598-V602 WeakPolarHBondContact O-CA 3.22Å; D598-V602 PolarHBondContact O-N 3.22Å; D598-K603 HydrophobicContact CB-CB 4.37Å; D598-K603 HydrophobicContact CB-CG 4.45Å; D598-K603 PolarHBondContact O-N 3.38Å; D598-M606 HydrophobicContact CB-CB 3.71Å; D598-M606 HydrophobicContact CB-CG 4.19Å
599L95.6Very high92.3Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-76.1-45.7174.1-65.4-178.9000111I541 S542 V547 A578 A581 I582 P596 E597 E601 V602 V607 V610I541-L599 HydrophobicContact CG2-CD2 4.32Å; S542-L599 WeakPolarHBondContact CA-O 3.4Å; V547-L599 HydrophobicContact CG2-CD1 4.43Å; V547-L599 HydrophobicContact CG2-CD2 4.22Å; A578-L599 HydrophobicContact CB-CB 4.2Å; A578-L599 HydrophobicContact CB-CD1 4.27Å; A581-L599 HydrophobicContact CB-CD1 4.48Å; I582-L599 HydrophobicContact CD1-CD1 4.28Å; I582-L599 HydrophobicContact CG1-CD1 4.08Å; P596-L599 PolarHBondContact O-N 2.94Å; P596-L599 VanDerWaalsContact O-N 3.17Å; E597-L599 PolarHBondContact O-N 2.64Å; L599-E601 PolarHBondContact O-N 2.88Å; L599-V602 PolarHBondContact O-N 2.72Å; L599-V602 VanDerWaalsContact O-N 3.1Å; L599-V607 HydrophobicContact CD2-CG2 4.23Å; L599-V610 HydrophobicContact CD2-CG2 4.24Å
600V96.1Very high92.4Very high19 Ų1928.6 Ų28.612%0.11514%0.136CC..Hα-helixtrans-61.5-44.9-179.9-179.10000111.2S542 K574 L575 A578 P596 E597 V602S542-V600 WeakPolarHBondContact CB-O 3.11Å; K574-V600 HydrophobicContact CB-CG1 4.06Å; K574-V600 HydrophobicContact CB-CG2 4.01Å; K574-V600 HydrophobicContact CD-CG1 4.25Å; L575-V600 HydrophobicContact CB-CG2 4.46Å; L575-V600 HydrophobicContact CD1-CG2 4.34Å; A578-V600 HydrophobicContact CB-CG2 4.03Å; P596-V600 PolarHBondContact O-N 3.15Å; E597-V600 PolarHBondContact O-N 2.57Å; V600-V602 VanDerWaalsContact C-N 3.25Å; V600-V602 PolarHBondContact O-N 2.73Å
601E95.9Very high92.6Very high86 Ų8628.5 Ų28.540%0.40214%0.135SC..THydrogen-bonded Turntrans-80.7-4177.1-66178.5-14900113.5R391 E597 L599 K603R391-E601 IonicContact CZ-OE1 2.72Å; R391-E601 IonicContact NH1-OE1 3.8Å; R391-E601 PolarHBondContact NH1-OE1 3.42Å; R391-E601 IonicContact NH2-OE1 2.87Å; R391-E601 PolarHBondContact NH2-OE1 2.91Å; R391-E601 IonicContact NH2-OE2 2.73Å; R391-E601 PolarHBondContact NH2-OE2 3.06Å; E597-E601 WeakPolarHBondContact O-CB 3.24Å; E597-E601 WeakPolarHBondContact O-CG 3.23Å; E597-E601 PolarHBondContact O-N 3.27Å; L599-E601 PolarHBondContact O-N 2.88Å; E601-K603 HydrophobicContact CB-CD 4.47Å; E601-K603 HydrophobicContact CB-CG 4.35Å; E601-K603 PolarHBondContact O-N 3.47Å; E601-K603 WeakPolarHBondContact OE2-CE 3.22Å; E601-K603 IonicContact OE2-NZ 3.95Å; E601-K603 PolarHBondContact OE2-NZ 3.41Å
602V96Very high92.8Very high7 Ų723.4 Ų23.44%0.04212%0.116CC..THydrogen-bonded Turntrans49.756.8-177.9-165.90000111.5M539 I541 D598 L599 V600 P604 V607M539-V602 HydrophobicContact CE-CB 3.5Å; M539-V602 VanDerWaalsContact CE-CB 3.5Å; M539-V602 HydrophobicContact CE-CG1 3.63Å; M539-V602 HydrophobicContact CE-CG2 3.52Å; M539-V602 HydrophobicContact SD-CG2 4.11Å; I541-V602 HydrophobicContact CB-CG1 4.27Å; I541-V602 HydrophobicContact CB-CG2 4.4Å; I541-V602 HydrophobicContact CD1-CG1 4.42Å; D598-V602 WeakPolarHBondContact O-CA 3.22Å; D598-V602 PolarHBondContact O-N 3.22Å; L599-V602 PolarHBondContact O-N 2.72Å; L599-V602 VanDerWaalsContact O-N 3.1Å; V600-V602 VanDerWaalsContact C-N 3.25Å; V600-V602 PolarHBondContact O-N 2.73Å; V602-P604 WeakPolarHBondContact O-CD 3.35Å; V602-V607 HydrophobicContact CG1-CG2 4.28Å
603K93.4Very high92.8Very high86 Ų8624 Ų2437%0.37412%0.12SC..  trans-70.9108.3175.8-65.3-61.3-175.8-161.20109.4D598 E601 K605 M606 V607D598-K603 HydrophobicContact CB-CB 4.37Å; D598-K603 HydrophobicContact CB-CG 4.45Å; D598-K603 PolarHBondContact O-N 3.38Å; E601-K603 HydrophobicContact CB-CD 4.47Å; E601-K603 HydrophobicContact CB-CG 4.35Å; E601-K603 PolarHBondContact O-N 3.47Å; E601-K603 WeakPolarHBondContact OE2-CE 3.22Å; E601-K603 IonicContact OE2-NZ 3.95Å; E601-K603 PolarHBondContact OE2-NZ 3.41Å; K603-K605 VanDerWaalsContact C-N 3.26Å; K603-K605 PolarHBondContact O-N 2.77Å; K603-K605 VanDerWaalsContact O-N 3.08Å; K603-M606 HydrophobicContact CB-CB 4.25Å; K603-M606 HydrophobicContact CB-CG 4.42Å; K603-M606 PolarHBondContact O-N 2.91Å; K603-V607 WeakPolarHBondContact O-CB 3.29Å; K603-V607 WeakPolarHBondContact O-CG2 3.28Å; K603-V607 PolarHBondContact O-N 3.11Å
604P91.4Very high93.1Very high53 Ų5323.1 Ų23.134%0.34412%0.117SC..Hα-helixtrans-62.2-33.8-164.1-26.137.5000113.6F536 K537 V602 M608F536-P604 HydrophobicContact CB-CB 4.46Å; K537-P604 HydrophobicContact CD-CG 4.48Å; K537-P604 HydrophobicContact CG-CB 4.04Å; K537-P604 HydrophobicContact CG-CG 3.69Å; V602-P604 WeakPolarHBondContact O-CD 3.35Å; P604-M608 VanDerWaalsContact O-CB 3.28Å; P604-M608 WeakPolarHBondContact O-CB 3.17Å; P604-M608 PolarHBondContact O-N 2.73Å
605K89.5Confident93.2Very high82 Ų8223.5 Ų23.536%0.35712%0.118SC..Hα-helixtrans-60.2-50.9174.8-71.6-175.8177.6178.10111.9E392 W492 K603 M608 T609E392-K605 IonicContact OE1-NZ 3.1Å; W492-K605 HydrophobicContact CD2-CB 4.22Å; W492-K605 HydrophobicContact CD2-CD 3.61Å; W492-K605 HydrophobicContact CD2-CG 3.97Å; W492-K605 HydrophobicContact CE3-CB 3.92Å; W492-K605 HydrophobicContact CE3-CD 3.97Å; W492-K605 HydrophobicContact CE3-CG 4.2Å; W492-K605 HydrophobicContact CG-CD 3.96Å; W492-K605 VanDerWaalsContact CH2-CA 3.43Å; W492-K605 HydrophobicContact CH2-CB 3.44Å; W492-K605 VanDerWaalsContact CH2-CB 3.44Å; W492-K605 HydrophobicContact CH2-CG 3.88Å; W492-K605 WeakPolarHBondContact CH2-O 3.34Å; W492-K605 HydrophobicContact CZ2-CB 3.72Å; W492-K605 HydrophobicContact CZ2-CD 4.19Å; W492-K605 HydrophobicContact CZ2-CG 3.58Å; W492-K605 HydrophobicContact CZ3-CB 3.54Å; W492-K605 HydrophobicContact CZ3-CD 4.42Å; W492-K605 HydrophobicContact CZ3-CG 4.17Å; W492-K605 WeakPolarHBondContact CZ3-O 3.48Å; K603-K605 VanDerWaalsContact C-N 3.26Å; K603-K605 PolarHBondContact O-N 2.77Å; K603-K605 VanDerWaalsContact O-N 3.08Å; K605-M608 PolarHBondContact O-N 2.86Å; K605-T609 PolarHBondContact O-N 3.42Å
606M90.6Very high93.1Very high13 Ų1322.5 Ų22.56%0.06411%0.114CC..Hα-helixtrans-74.9-36.4-177.6-63.8-51.1-65.700112T395 A594 D598 K603 M608 T609 V610T395-M606 HydrophobicContact CG2-CE 3.57Å; T395-M606 HydrophobicContact CG2-SD 4.4Å; A594-M606 VanDerWaalsContact CA-CE 3.45Å; A594-M606 HydrophobicContact CB-CB 4.34Å; A594-M606 HydrophobicContact CB-CE 3.8Å; D598-M606 HydrophobicContact CB-CB 3.71Å; D598-M606 HydrophobicContact CB-CG 4.19Å; K603-M606 HydrophobicContact CB-CB 4.25Å; K603-M606 HydrophobicContact CB-CG 4.42Å; K603-M606 PolarHBondContact O-N 2.91Å; M606-M608 VanDerWaalsContact C-N 3.32Å; M606-M608 PolarHBondContact O-N 3.31Å; M606-T609 PolarHBondContact O-N 3.28Å; M606-T609 PolarHBondContact O-OG1 2.94Å; M606-V610 VanDerWaalsContact O-CG2 3.31Å; M606-V610 WeakPolarHBondContact O-CG2 3.17Å; M606-V610 PolarHBondContact O-N 3.29Å
607V94.3Very high92.9Very high0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-59.4-44.5172.2171.10000110.9F536 I541 L599 V602 K603 T609 V610 F611F536-V607 HydrophobicContact CB-CB 4.48Å; F536-V607 HydrophobicContact CB-CG1 4.03Å; F536-V607 HydrophobicContact CD1-CG1 4.11Å; F536-V607 HydrophobicContact CG-CG1 4.49Å; I541-V607 HydrophobicContact CD1-CG1 3.77Å; I541-V607 HydrophobicContact CG2-CG1 4.18Å; I541-V607 HydrophobicContact CG2-CG2 4.17Å; L599-V607 HydrophobicContact CD2-CG2 4.23Å; V602-V607 HydrophobicContact CG1-CG2 4.28Å; K603-V607 WeakPolarHBondContact O-CB 3.29Å; K603-V607 WeakPolarHBondContact O-CG2 3.28Å; K603-V607 PolarHBondContact O-N 3.11Å; V607-T609 VanDerWaalsContact C-N 3.35Å; V607-T609 PolarHBondContact O-N 3.26Å; V607-V610 PolarHBondContact O-N 3.24Å; V607-F611 HydrophobicContact CG1-CD2 3.72Å; V607-F611 HydrophobicContact CG1-CE2 3.6Å; V607-F611 VanDerWaalsContact O-CD2 3.25Å; V607-F611 WeakPolarHBondContact O-CD2 3.48Å; V607-F611 PolarHBondContact O-N 3.14Å; V607-F611 VanDerWaalsContact O-N 3.09Å
608M92.5Very high92.6Very high3 Ų322.6 Ų22.62%0.01511%0.114CC..Hα-helixtrans-58.9-43.8176.1177.5-94.217500112.1W492 R496 L500 I517 F536 P604 K605 M606 F611 A612W492-M608 HydrophobicContact CH2-SD 4.38Å; R496-M608 HydrophobicContact CG-CE 4.36Å; L500-M608 HydrophobicContact CD2-CE 4.02Å; L500-M608 HydrophobicContact CG-CE 4.49Å; I517-M608 HydrophobicContact CD1-CE 3.52Å; F536-M608 HydrophobicContact CD1-CB 4.34Å; F536-M608 HydrophobicContact CD2-CB 3.62Å; F536-M608 HydrophobicContact CD2-CG 3.85Å; F536-M608 HydrophobicContact CE1-CB 4.42Å; F536-M608 HydrophobicContact CE2-CB 3.7Å; F536-M608 HydrophobicContact CE2-CG 3.41Å; F536-M608 VanDerWaalsContact CE2-CG 3.41Å; F536-M608 HydrophobicContact CG-CB 3.95Å; F536-M608 HydrophobicContact CZ-CB 4.11Å; F536-M608 HydrophobicContact CZ-CG 3.83Å; P604-M608 VanDerWaalsContact O-CB 3.28Å; P604-M608 WeakPolarHBondContact O-CB 3.17Å; P604-M608 PolarHBondContact O-N 2.73Å; K605-M608 PolarHBondContact O-N 2.86Å; M606-M608 VanDerWaalsContact C-N 3.32Å; M606-M608 PolarHBondContact O-N 3.31Å; M608-F611 PolarHBondContact O-N 2.87Å; M608-A612 HydrophobicContact CE-CB 4.5Å; M608-A612 VanDerWaalsContact O-CB 3.24Å; M608-A612 WeakPolarHBondContact O-CB 3.33Å; M608-A612 PolarHBondContact O-N 3.06Å
609T90.9Very high92.2Very high3 Ų324.9 Ų24.92%0.01813%0.125CC..Hα-helixtrans-67.5-36.6179.160.20000112.1W492 M495 K605 M606 V607 A612 C613W492-T609 HydrophobicContact CH2-CG2 4.02Å; W492-T609 HydrophobicContact CZ3-CG2 3.81Å; M495-T609 HydrophobicContact CE-CG2 4.45Å; K605-T609 PolarHBondContact O-N 3.42Å; M606-T609 PolarHBondContact O-N 3.28Å; M606-T609 PolarHBondContact O-OG1 2.94Å; V607-T609 VanDerWaalsContact C-N 3.35Å; V607-T609 PolarHBondContact O-N 3.26Å; T609-A612 PolarHBondContact O-N 3.12Å; T609-C613 WeakPolarHBondContact O-CB 3.27Å; T609-C613 PolarHBondContact O-N 3.24Å; T609-C613 PolarHBondContact O-SG 3.38Å
610V94.1Very high91.2Very high2 Ų232.2 Ų32.21%0.01215%0.152CC..Hα-helixtrans-58.1-53.6173.2173.30000110.9V547 V592 A594 L599 M606 V607 A612 C613 L614V547-V610 HydrophobicContact CG1-CG1 4.08Å; V592-V610 HydrophobicContact CG1-CG2 3.77Å; A594-V610 HydrophobicContact CB-CG2 3.44Å; A594-V610 VanDerWaalsContact CB-CG2 3.44Å; L599-V610 HydrophobicContact CD2-CG2 4.24Å; M606-V610 VanDerWaalsContact O-CG2 3.31Å; M606-V610 WeakPolarHBondContact O-CG2 3.17Å; M606-V610 PolarHBondContact O-N 3.29Å; V607-V610 PolarHBondContact O-N 3.24Å; V610-A612 PolarHBondContact O-N 3.12Å; V610-C613 PolarHBondContact O-N 3.43Å; V610-L614 HydrophobicContact CG1-CD1 4.09Å; V610-L614 WeakPolarHBondContact O-CG 3.37Å; V610-L614 PolarHBondContact O-N 3.28Å
611F95.2Very high89.4Confident0 Ų038 Ų380%017%0.172CC..Hα-helixtrans-64.6-38.5180-77.5-65.9000112.6I517 V521 I533 F536 I541 V547 L550 V607 M608 L614 M615I517-F611 HydrophobicContact CG2-CB 4.03Å; V521-F611 HydrophobicContact CB-CD1 4.44Å; V521-F611 HydrophobicContact CG1-CD1 3.98Å; V521-F611 HydrophobicContact CG1-CE1 3.86Å; V521-F611 HydrophobicContact CG2-CB 4.07Å; V521-F611 HydrophobicContact CG2-CD1 3.56Å; V521-F611 HydrophobicContact CG2-CE1 4.3Å; V521-F611 HydrophobicContact CG2-CG 4.06Å; I533-F611 HydrophobicContact CD1-CD2 4.39Å; I533-F611 HydrophobicContact CD1-CE1 4.4Å; I533-F611 HydrophobicContact CD1-CE2 3.87Å; I533-F611 HydrophobicContact CD1-CZ 3.88Å; F536-F611 AromaticContact CD1-CD2 3.88Å; F536-F611 HydrophobicContact CD1-CD2 3.88Å; F536-F611 HydrophobicContact CE1-CB 4Å; F536-F611 AromaticContact CE1-CD2 3.91Å; F536-F611 HydrophobicContact CE1-CD2 3.91Å; F536-F611 HydrophobicContact CE1-CG 4.25Å; I541-F611 HydrophobicContact CD1-CE2 4.08Å; V547-F611 HydrophobicContact CG2-CE1 4.38Å; V547-F611 HydrophobicContact CG2-CE2 4.49Å; V547-F611 HydrophobicContact CG2-CZ 3.92Å; L550-F611 HydrophobicContact CD2-CD1 3.43Å; L550-F611 VanDerWaalsContact CD2-CD1 3.43Å; L550-F611 HydrophobicContact CD2-CE1 3.65Å; V607-F611 HydrophobicContact CG1-CD2 3.72Å; V607-F611 HydrophobicContact CG1-CE2 3.6Å; V607-F611 VanDerWaalsContact O-CD2 3.25Å; V607-F611 WeakPolarHBondContact O-CD2 3.48Å; V607-F611 PolarHBondContact O-N 3.14Å; V607-F611 VanDerWaalsContact O-N 3.09Å; M608-F611 PolarHBondContact O-N 2.87Å; F611-L614 PolarHBondContact O-N 3.36Å; F611-M615 WeakPolarHBondContact O-CB 3.36Å; F611-M615 PolarHBondContact O-N 2.92Å
612A92.1Very high87Confident0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-62.3-43.2174.900000111.9T499 L503 I517 M608 T609 V610 M615 A616T499-A612 HydrophobicContact CG2-CB 3.52Å; L503-A612 HydrophobicContact CD1-CB 3.9Å; I517-A612 HydrophobicContact CD1-CB 4.04Å; M608-A612 HydrophobicContact CE-CB 4.5Å; M608-A612 VanDerWaalsContact O-CB 3.24Å; M608-A612 WeakPolarHBondContact O-CB 3.33Å; M608-A612 PolarHBondContact O-N 3.06Å; T609-A612 PolarHBondContact O-N 3.12Å; V610-A612 PolarHBondContact O-N 3.12Å; A612-M615 PolarHBondContact O-N 2.99Å; A612-A616 PolarHBondContact O-N 3.08Å
613C91.3Very high86.6Confident16 Ų1642.2 Ų42.211%0.10822%0.216CC..Hα-helixtrans-66.4-36.3176.2-700000112.5A590 R591 V592 T609 V610 R617A590-C613 HydrophobicContact CB-CB 4.31Å; R591-C613 PolarHBondContact O-SG 3.29Å; V592-C613 HydrophobicContact CG2-CB 4.04Å; T609-C613 WeakPolarHBondContact O-CB 3.27Å; T609-C613 PolarHBondContact O-N 3.24Å; T609-C613 PolarHBondContact O-SG 3.38Å; V610-C613 PolarHBondContact O-N 3.43Å; C613-R617 PolarHBondContact O-N 3.09Å; C613-R617 VanDerWaalsContact O-N 3.14Å
614L94.3Very high86.2Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-67.4-42.1173.7-71.8173.1000111.7V547 L550 I551 I554 A585 I588 A590 V610 F611 R617 G618V547-L614 HydrophobicContact CG1-CD1 3.99Å; L550-L614 HydrophobicContact CD2-CB 4.1Å; L550-L614 HydrophobicContact CD2-CD1 3.9Å; L550-L614 HydrophobicContact CG-CD1 4.5Å; I551-L614 HydrophobicContact CD1-CD2 4.44Å; I551-L614 HydrophobicContact CG1-CD1 4.21Å; I551-L614 HydrophobicContact CG1-CD2 3.69Å; I554-L614 HydrophobicContact CD1-CB 3.96Å; I554-L614 HydrophobicContact CD1-CD2 4.35Å; I554-L614 WeakPolarHBondContact CD1-O 3.37Å; A585-L614 HydrophobicContact CB-CD2 3.94Å; I588-L614 HydrophobicContact CD1-CD2 3.9Å; A590-L614 HydrophobicContact CB-CD2 4.03Å; V610-L614 HydrophobicContact CG1-CD1 4.09Å; V610-L614 WeakPolarHBondContact O-CG 3.37Å; V610-L614 PolarHBondContact O-N 3.28Å; F611-L614 PolarHBondContact O-N 3.36Å; L614-R617 WeakPolarHBondContact O-CB 3.44Å; L614-R617 PolarHBondContact O-N 2.92Å; L614-R617 VanDerWaalsContact O-N 3.12Å; L614-G618 PolarHBondContact O-N 3.25Å
615M92.5Very high85.9Confident8 Ų839.2 Ų39.24%0.03920%0.2CC..Hα-helixtrans-58.4-48.3172.9179.5176.6-179.100111.7L503 I517 W520 F611 A612 R617 G618 M619L503-M615 HydrophobicContact CD1-SD 4.46Å; L503-M615 HydrophobicContact CD2-CB 4.08Å; L503-M615 HydrophobicContact CD2-CG 3.84Å; L503-M615 HydrophobicContact CD2-SD 4.19Å; I517-M615 HydrophobicContact CB-SD 4.33Å; I517-M615 HydrophobicContact CG1-SD 4.01Å; I517-M615 HydrophobicContact CG2-SD 4.36Å; W520-M615 HydrophobicContact CB-CE 3.88Å; W520-M615 HydrophobicContact CB-SD 4.02Å; W520-M615 HydrophobicContact CD2-CB 4.06Å; W520-M615 HydrophobicContact CD2-CE 4.37Å; W520-M615 HydrophobicContact CD2-CG 3.57Å; W520-M615 HydrophobicContact CD2-SD 4.1Å; W520-M615 HydrophobicContact CE3-CB 3.56Å; W520-M615 HydrophobicContact CE3-CG 3.63Å; W520-M615 HydrophobicContact CE3-SD 4.23Å; W520-M615 HydrophobicContact CG-CE 3.79Å; W520-M615 HydrophobicContact CG-CG 4.01Å; W520-M615 HydrophobicContact CG-SD 3.99Å; W520-M615 HydrophobicContact CH2-CB 4.18Å; W520-M615 HydrophobicContact CH2-CG 4.48Å; W520-M615 HydrophobicContact CZ2-CG 4.4Å; W520-M615 VanDerWaalsContact CZ3-CA 3.41Å; W520-M615 HydrophobicContact CZ3-CB 3.64Å; W520-M615 HydrophobicContact CZ3-CG 4.1Å; F611-M615 WeakPolarHBondContact O-CB 3.36Å; F611-M615 PolarHBondContact O-N 2.92Å; A612-M615 PolarHBondContact O-N 2.99Å; M615-R617 PolarHBondContact O-N 2.61Å; M615-G618 PolarHBondContact O-N 2.84Å; M615-G618 VanDerWaalsContact O-N 3.12Å; M615-M619 HydrophobicContact CE-CE 4.46Å; M615-M619 HydrophobicContact CE-SD 3.43Å; M615-M619 WeakPolarHBondContact CE-SD 3.43Å; M615-M619 HydrophobicContact CG-CG 4.2Å; M615-M619 HydrophobicContact CG-SD 3.84Å; M615-M619 WeakPolarHBondContact O-CG 3.34Å; M615-M619 PolarHBondContact O-N 3.09Å; M615-M619 HydrophobicContact SD-SD 4.47Å
616A88.5Confident85.7Confident9 Ų936.6 Ų36.67%0.07419%0.191CC..Hα-helixtrans-57.3-35.4176.300000111.9I502 L503 L506 A612 R620I502-A616 HydrophobicContact CG2-CB 3.94Å; L503-A616 HydrophobicContact CD2-CB 3.65Å; L503-A616 HydrophobicContact CG-CB 4.43Å; L506-A616 HydrophobicContact CD1-CB 3.89Å; L506-A616 VanDerWaalsContact CD1-O 3.29Å; L506-A616 WeakPolarHBondContact CD1-O 3.44Å; A612-A616 PolarHBondContact O-N 3.08Å; A616-R620 VanDerWaalsContact O-CG 3.32Å; A616-R620 WeakPolarHBondContact O-CG 3.43Å
617R89.4Confident85.4Confident66 Ų6638.1 Ų38.125%0.24920%0.199CC..Hα-helixtrans-73.7-43.4176178.955.2-175.3128.1-7.5112.7I588 A590 C613 L614 M615 R620I588-R617 HydrophobicContact CD1-CG 4.07Å; I588-R617 HydrophobicContact CG1-CG 4.34Å; I588-R617 WeakPolarHBondContact O-CD 3.48Å; I588-R617 PolarHBondContact O-NE 3.31Å; I588-R617 PolarHBondContact O-NH2 3.02Å; A590-R617 HydrophobicContact CB-CB 4.4Å; C613-R617 PolarHBondContact O-N 3.09Å; C613-R617 VanDerWaalsContact O-N 3.14Å; L614-R617 WeakPolarHBondContact O-CB 3.44Å; L614-R617 PolarHBondContact O-N 2.92Å; L614-R617 VanDerWaalsContact O-N 3.12Å; M615-R617 PolarHBondContact O-N 2.61Å; R617-R620 PolarHBondContact O-N 2.58Å
618G87.8Confident84.8Confident11 Ų1140.7 Ų40.711%0.11321%0.212CC..Hα-helixtrans-63-45.6179.100000112.5L614 M615 R620 R621 A622L614-G618 PolarHBondContact O-N 3.25Å; M615-G618 PolarHBondContact O-N 2.84Å; M615-G618 VanDerWaalsContact O-N 3.12Å; G618-R620 VanDerWaalsContact C-N 3.31Å; G618-R620 PolarHBondContact O-N 3.35Å; G618-R621 PolarHBondContact O-N 3.22Å; G618-R621 VanDerWaalsContact O-N 3.1Å; G618-A622 PolarHBondContact O-N 3.1Å
619M84.9Confident84.3Confident59 Ų5943.4 Ų43.429%0.29123%0.226SC..Hα-helixtrans-67-27.4179.9-66.3-1768000113.7M615 R621M615-M619 HydrophobicContact CE-CE 4.46Å; M615-M619 HydrophobicContact CE-SD 3.43Å; M615-M619 WeakPolarHBondContact CE-SD 3.43Å; M615-M619 HydrophobicContact CG-CG 4.2Å; M615-M619 HydrophobicContact CG-SD 3.84Å; M615-M619 WeakPolarHBondContact O-CG 3.34Å; M615-M619 PolarHBondContact O-N 3.09Å; M615-M619 HydrophobicContact SD-SD 4.47Å; M619-R621 PolarHBondContact O-N 2.63Å
620R74.6Confident83.8Confident153 Ų15346.5 Ų46.558%0.57724%0.242SC*.THydrogen-bonded Turntrans-70.3-12.5174-78.1177.3-177.6-164.6-1.4114.1L506 A616 R617 G618L506-R620 HydrophobicContact CD1-CG 3.86Å; L506-R620 HydrophobicContact CD2-CG 3.39Å; L506-R620 HydrophobicContact CG-CG 4.28Å; A616-R620 VanDerWaalsContact O-CG 3.32Å; A616-R620 WeakPolarHBondContact O-CG 3.43Å; R617-R620 PolarHBondContact O-N 2.58Å; G618-R620 VanDerWaalsContact C-N 3.31Å; G618-R620 PolarHBondContact O-N 3.35Å
621R58.6Low82.9Confident141 Ų14150.2 Ų50.253%0.53226%0.261SS..THydrogen-bonded Turntrans-102.6-27.3-176.3-164.4-176.9178.8-166.5-0.3112.3I554 G618 M619I554-R621 PolarHBondContact O-NH1 2.73Å; G618-R621 PolarHBondContact O-N 3.22Å; G618-R621 VanDerWaalsContact O-N 3.1Å; M619-R621 PolarHBondContact O-N 2.63Å
622A45.5Very low81.8Confident139 Ų13954.7 Ų54.7100%1.14929%0.285SS*.  trans-70.40167.300000109.6G618G618-A622 PolarHBondContact O-N 3.1Å

Retrieved 622 of 622 residues in 689.9 ms (Link to these results)

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