A0A087XFA5_POEFO Loading...

Formimidoyltransferase-cyclodeaminase

Binds and promotes bundling of vimentin filaments originating from the Golgi. Folate-dependent enzyme, that displays both transferase and deaminase activity. Serves to channel one-carbon units from formiminoglutamate to the folate pool.

AlphaFold DB , UniProt , Accession A0A087XFA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.4Very low24.2Very low235 Ų235175.5 Ų175.5100%1.15884%0.843SS**  076.10-78.7-177-98.200105.8
2F25.4Very low24.2Very low207 Ų207165.8 Ų165.891%0.90883%0.825SS**  52.797.465.8-90.2-76000112.5
3E24.2Very low24.3Very low178 Ų178162.6 Ų162.683%0.83283%0.828SS**  trans-162.994.2150.2-105.6170.6-167.800106.4
4L23.5Very low24.4Very low149 Ų149155.9 Ų155.978%0.7882%0.82SS**  82.277.394-90148.6000112.9
5W22.6Very low24.6Very low242 Ų242153.2 Ų153.292%0.91782%0.819SS**  trans-74.9114.7155.7-7975000108.4Y7W5-Y7 PolarHBondContact O-N 3.39Å
6V24.1Very low25Very low110 Ų110148 Ų14867%0.66780%0.804SS**  trans-76.3113.2173.2175.40000108.2W8V6-W8 PolarHBondContact O-N 2.88Å
7Y22.8Very low25.7Very low213 Ų213149.1 Ų149.184%0.83581%0.808SS**  trans-63.6115.8165.9-87.1-97.5000109.4W5 S9W5-Y7 PolarHBondContact O-N 3.39Å; Y7-S9 PolarHBondContact O-N 3.01Å
8W21.5Very low26.4Very low231 Ų231145.5 Ų145.588%0.87580%0.803SS**  trans-83.7100.4154.7-88.270.7000107.7V6 D10V6-W8 PolarHBondContact O-N 2.88Å; W8-D10 PolarHBondContact O-N 3.15Å
9S21.4Very low27.8Very low99 Ų99144.4 Ų144.469%0.69279%0.793SS**  trans-76.395.6165.556.10000108.1Y7 S11Y7-S9 PolarHBondContact O-N 3.01Å; S9-S11 VanDerWaalsContact C-N 3.26Å; S9-S11 PolarHBondContact O-N 2.91Å
10D23.6Very low29.8Very low150 Ų150140.2 Ų140.280%0.80278%0.777SS**  trans-80.882.9169.4-138.6-1.7000108.4W8 G12W8-D10 PolarHBondContact O-N 3.15Å; D10-G12 PolarHBondContact O-N 3.08Å; D10-G12 VanDerWaalsContact O-N 3.1Å
11S24.6Very low32.3Very low116 Ų116137.7 Ų137.781%0.81176%0.76SS**  trans-8064.1165.155.90000108.8S9S9-S11 VanDerWaalsContact C-N 3.26Å; S9-S11 PolarHBondContact O-N 2.91Å
12G23.8Very low35.1Very low60 Ų60127.4 Ų127.462%0.61971%0.71SS**  trans-91.9106.2164.400000108D10 G14D10-G12 PolarHBondContact O-N 3.08Å; D10-G12 VanDerWaalsContact O-N 3.1Å; G12-G14 PolarHBondContact O-N 3.16Å
13S26.2Very low38.3Very low124 Ų124117.6 Ų117.687%0.86767%0.667SS**  trans-64.179.6167.753.60000109.5S15S13-S15 PolarHBondContact O-N 3.33Å
14G25.1Very low41.7Very low69 Ų69109.3 Ų109.371%0.71163%0.628SS**  trans-64.5111.8163.600000107.5G12 A16G12-G14 PolarHBondContact O-N 3.16Å; G14-A16 PolarHBondContact O-N 3.14Å
15S27.4Very low45.1Very low115 Ų115102.2 Ų102.280%0.80459%0.591SS**  trans-46.1130.2163.748.50000108.6S13 D17S13-S15 PolarHBondContact O-N 3.33Å; S15-D17 PolarHBondContact O-N 3.33Å
16A31.8Very low48.7Very low70 Ų7091.3 Ų91.358%0.57955%0.551SS**  trans-40.9137176.700000111.7G14 A18 A438G14-A16 PolarHBondContact O-N 3.14Å; A16-A18 PolarHBondContact O-N 3.39Å; A16-A438 HydrophobicContact CB-CB 4.3Å
17D36.8Very low52.2Low166 Ų16686.1 Ų86.189%0.88852%0.519SS*.  trans-48.281.9170-83.8-43.5000111.6S15 M19S15-D17 PolarHBondContact O-N 3.33Å; D17-M19 PolarHBondContact O-N 3.07Å
18A38.4Very low55.7Low85 Ų8576.1 Ų76.170%0.70248%0.48SS*.  trans-64.7118.9143.700000104.5A16 A20A16-A18 PolarHBondContact O-N 3.39Å; A18-A20 PolarHBondContact O-N 3.25Å
19M51.7Low59.3Low125 Ų12565.1 Ų65.162%0.61644%0.439SS*.  trans-41.8118.6-176.5-61.9-165.1-71.300109.9D17 Q21 N116D17-M19 PolarHBondContact O-N 3.07Å; M19-Q21 PolarHBondContact O-N 2.86Å; M19-Q21 VanDerWaalsContact O-N 3.16Å; M19-N116 WeakPolarHBondContact CB-ND2 3.22Å; M19-N116 WeakPolarHBondContact CE-OD1 3.48Å; M19-N116 PolarHBondContact O-ND2 3.49Å
20A67.9Low63Low59 Ų5960.5 Ų60.549%0.48841%0.407SS..  trans-50.7124.2-164.800000110.9A18A18-A20 PolarHBondContact O-N 3.25Å
21Q83.6Confident66.5Low88 Ų8854.7 Ų54.741%0.41138%0.375SS..  trans-74126.2173.4-70-166.4-55.700108.4M19 P72 P73 N116 V117M19-Q21 PolarHBondContact O-N 2.86Å; M19-Q21 VanDerWaalsContact O-N 3.16Å; Q21-P72 WeakPolarHBondContact O-CA 3.15Å; Q21-P73 HydrophobicContact CB-CG 4.43Å; Q21-N116 PolarHBondContact NE2-O 3.04Å; Q21-V117 HydrophobicContact CB-CG2 3.59Å; Q21-V117 HydrophobicContact CG-CG2 4.1Å
22L89.6Confident69.9Low20 Ų2049.5 Ų49.511%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-127.3121.6-178.8-154.672.7000110.7V70 V114 Q115 V344L22-V70 HydrophobicContact CD1-CB 3.91Å; L22-V70 HydrophobicContact CD1-CG2 4.12Å; L22-V70 HydrophobicContact CD2-CB 4.06Å; L22-V70 HydrophobicContact CD2-CG1 4.33Å; L22-V70 HydrophobicContact CD2-CG2 4.24Å; L22-V70 HydrophobicContact CG-CB 3.91Å; L22-V70 HydrophobicContact CG-CG1 4.46Å; L22-V70 HydrophobicContact CG-CG2 4.43Å; L22-V114 HydrophobicContact CB-CB 4.22Å; L22-V114 HydrophobicContact CD2-CB 4.3Å; L22-V114 HydrophobicContact CD2-CG1 3.94Å; L22-V114 HydrophobicContact CG-CB 4.42Å; L22-V114 WeakPolarHBondContact O-CB 3.32Å; L22-V114 PolarHBondContact O-N 3.46Å; L22-Q115 HydrophobicContact CB-CB 3.92Å; L22-Q115 PolarHBondContact N-O 3.43Å; L22-Q115 PolarHBondContact O-N 3.49Å; L22-Q115 VanDerWaalsContact O-N 3.15Å; L22-V344 HydrophobicContact CD2-CB 4.28Å; L22-V344 HydrophobicContact CD2-CG1 3.7Å; L22-V344 HydrophobicContact CD2-CG2 3.5Å; L22-V344 VanDerWaalsContact CD2-CG2 3.5Å
23V93.9Very high73.3Confident0 Ų053.6 Ų53.60%034%0.336CS..EExtended strand (participates in β ladder)trans-111.7135.9170.81780000107.8V70 G71 P73 V76 F111 I112 V117V23-V70 VanDerWaalsContact O-CA 3.27Å; V23-V70 WeakPolarHBondContact O-CA 3.45Å; V23-G71 PolarHBondContact N-O 2.84Å; V23-G71 PolarHBondContact O-N 2.92Å; V23-G71 VanDerWaalsContact O-N 3.13Å; V23-P73 HydrophobicContact CG2-CG 4.04Å; V23-V76 HydrophobicContact CB-CG2 3.91Å; V23-V76 HydrophobicContact CG1-CG2 3.9Å; V23-F111 HydrophobicContact CG1-CB 4.05Å; V23-F111 HydrophobicContact CG1-CD1 4.1Å; V23-I112 WeakPolarHBondContact CA-O 3.19Å; V23-V117 HydrophobicContact CG2-CB 4.26Å; V23-V117 HydrophobicContact CG2-CG1 3.72Å; V23-V117 HydrophobicContact CG2-CG2 3.98Å
24E94.6Very high76.6Confident5 Ų551.3 Ų51.32%0.02331%0.314CS..EExtended strand (participates in β ladder)trans-89.9133.1166.2177.7-167.7-132.700108.9V26 T68 V70 F111 I112 V114 F199 I340E24-V26 HydrophobicContact CG-CG2 3.59Å; E24-T68 HydrophobicContact CG-CG2 3.96Å; E24-T68 VanDerWaalsContact OE1-CG2 3.31Å; E24-T68 WeakPolarHBondContact OE1-CG2 3.35Å; E24-V70 HydrophobicContact CB-CG1 4.09Å; E24-V70 HydrophobicContact CG-CG1 4.43Å; E24-F111 CarbonylContact O-C 3.44Å; E24-F111 WeakPolarHBondContact O-CA 3.45Å; E24-I112 HydrophobicContact CB-CB 4.25Å; E24-I112 PolarHBondContact N-O 2.92Å; E24-I112 PolarHBondContact O-N 3.13Å; E24-V114 HydrophobicContact CB-CG2 3.51Å; E24-F199 WeakPolarHBondContact OE1-CE2 3.2Å; E24-F199 WeakPolarHBondContact OE2-CD2 3.13Å; E24-F199 WeakPolarHBondContact OE2-CE2 3.4Å; E24-I340 HydrophobicContact CB-CD1 4.39Å; E24-I340 HydrophobicContact CG-CD1 4.49Å
25C96.7Very high80.1Confident0 Ų052.8 Ų52.80%030%0.302CS..EExtended strand (participates in β ladder)trans-118.4130170.1-170.90000109.4P27 F69 V76 C109 P110 F111C25-P27 VanDerWaalsContact C-CD 3.49Å; C25-P27 WeakPolarHBondContact O-CD 3.36Å; C25-F69 HydrophobicContact CB-CD1 4.17Å; C25-F69 HydrophobicContact CB-CD2 4.37Å; C25-F69 HydrophobicContact CB-CE1 3.62Å; C25-F69 HydrophobicContact CB-CE2 3.87Å; C25-F69 HydrophobicContact CB-CZ 3.45Å; C25-F69 VanDerWaalsContact CB-CZ 3.45Å; C25-F69 PolarHBondContact N-O 3.17Å; C25-F69 WeakPolarHBondContact O-CD1 3.3Å; C25-F69 PolarHBondContact O-N 3.36Å; C25-V76 HydrophobicContact CB-CB 4.25Å; C25-C109 VanDerWaalsContact SG-SG 3.69Å; C25-P110 WeakPolarHBondContact CA-O 3.29Å; C25-F111 HydrophobicContact CB-CD1 4.19Å; C25-F111 HydrophobicContact CB-CE1 4.19Å
26V96.4Very high83.4Confident13 Ų1355.5 Ų55.58%0.07930%0.3CS..  trans-125.362.8-172.2-165.90000111.8E24 N28 V66 Y67 T68 P110 I112E24-V26 HydrophobicContact CG-CG2 3.59Å; V26-N28 PolarHBondContact O-ND2 3.28Å; V26-V66 HydrophobicContact CG1-CG1 3.39Å; V26-Y67 CarbonylContact C-O 3.43Å; V26-Y67 WeakPolarHBondContact CA-O 3.39Å; V26-T68 HydrophobicContact CG2-CG2 4.24Å; V26-P110 HydrophobicContact CB-CG 3.99Å; V26-P110 PolarHBondContact N-O 3.37Å; V26-P110 WeakPolarHBondContact O-CD 3.33Å; V26-I112 HydrophobicContact CG2-CD1 3.89Å
27P97.4Very high86.6Confident0 Ų052.6 Ų52.60%028%0.275CS..  trans-67.5143.2-176.630.3-37.1000112.2C25 F29 Y67 F69 L106 C109C25-P27 VanDerWaalsContact C-CD 3.49Å; C25-P27 WeakPolarHBondContact O-CD 3.36Å; P27-F29 HydrophobicContact CB-CD2 4.28Å; P27-F29 HydrophobicContact CB-CE2 3.68Å; P27-F29 HydrophobicContact CB-CZ 4.39Å; P27-F29 HydrophobicContact CG-CE2 3.94Å; P27-Y67 VanDerWaalsContact CD-O 3.24Å; P27-Y67 WeakPolarHBondContact CD-O 3.43Å; P27-Y67 PolarHBondContact O-N 3.12Å; P27-Y67 VanDerWaalsContact O-N 3.09Å; P27-F69 HydrophobicContact CG-CD1 4.44Å; P27-F69 HydrophobicContact CG-CE1 3.77Å; P27-L106 HydrophobicContact CB-CD1 3.66Å; P27-C109 HydrophobicContact CB-CB 4.43Å
28N97.1Very high89.5Confident3 Ų344.8 Ų44.82%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-115.7106.8-175.1-68.7-82.2000109.9V26 R64 V66 L106 D107 V108V26-N28 PolarHBondContact O-ND2 3.28Å; N28-R64 VanDerWaalsContact CG-NH2 3.32Å; N28-R64 PolarHBondContact OD1-NE 3.46Å; N28-R64 PolarHBondContact OD1-NH2 3.45Å; N28-V66 WeakPolarHBondContact OD1-CG2 3.36Å; N28-L106 CarbonylContact O-C 3.37Å; N28-L106 WeakPolarHBondContact O-CD1 3.44Å; N28-D107 HydrophobicContact CB-CB 4.49Å; N28-D107 PolarHBondContact O-N 3.37Å; N28-V108 HydrophobicContact CB-CG1 3.92Å; N28-V108 WeakPolarHBondContact CB-O 3.37Å; N28-V108 PolarHBondContact N-O 2.96Å; N28-V108 VanDerWaalsContact ND2-CG1 3.34Å; N28-V108 WeakPolarHBondContact ND2-CG1 3.37Å; N28-V108 PolarHBondContact ND2-O 3.24Å
29F98.3Very high92.3Very high1 Ų144.8 Ų44.80%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-99.7138.6-179.9-68.3-90000111.2P27 E31 I41 R64 T65 Y67 A83 A87 I91 A105 L106P27-F29 HydrophobicContact CB-CD2 4.28Å; P27-F29 HydrophobicContact CB-CE2 3.68Å; P27-F29 HydrophobicContact CB-CZ 4.39Å; P27-F29 HydrophobicContact CG-CE2 3.94Å; F29-E31 PolarHBondContact O-N 3.42Å; F29-I41 HydrophobicContact CB-CD1 4.36Å; F29-I41 HydrophobicContact CD1-CD1 4.09Å; F29-I41 HydrophobicContact CD2-CG2 3.93Å; F29-I41 HydrophobicContact CE2-CG2 3.66Å; F29-I41 HydrophobicContact CG-CD1 4.11Å; F29-I41 HydrophobicContact CG-CG2 4.44Å; F29-I41 HydrophobicContact CZ-CG2 3.99Å; F29-R64 WeakPolarHBondContact O-CA 3.41Å; F29-T65 PolarHBondContact N-O 3.43Å; F29-T65 PolarHBondContact O-N 2.95Å; F29-Y67 HydrophobicContact CB-CE2 4.04Å; F29-Y67 AromaticContact CD2-CD2 3.53Å; F29-Y67 HydrophobicContact CD2-CD2 3.53Å; F29-Y67 AromaticContact CD2-CE2 3.48Å; F29-Y67 HydrophobicContact CD2-CE2 3.48Å; F29-Y67 VanDerWaalsContact CD2-CE2 3.48Å; F29-Y67 HydrophobicContact CE2-CD2 4.14Å; F29-Y67 HydrophobicContact CE2-CE2 4.33Å; F29-Y67 HydrophobicContact CG-CE2 4.12Å; F29-A83 HydrophobicContact CE2-CB 4.1Å; F29-A83 HydrophobicContact CZ-CB 3.75Å; F29-A87 HydrophobicContact CD1-CB 3.56Å; F29-A87 HydrophobicContact CE1-CB 3.36Å; F29-A87 HydrophobicContact CZ-CB 4.39Å; F29-I91 HydrophobicContact CB-CD1 4.24Å; F29-I91 HydrophobicContact CD1-CD1 4.29Å; F29-A105 CarbonylContact C-O 3.58Å; F29-A105 WeakPolarHBondContact CA-O 3.43Å; F29-A105 WeakPolarHBondContact CD1-O 3.36Å; F29-L106 HydrophobicContact CD1-CB 4.04Å; F29-L106 HydrophobicContact CD1-CD1 4.14Å; F29-L106 HydrophobicContact CD2-CD1 4.14Å; F29-L106 HydrophobicContact CE1-CB 3.79Å; F29-L106 HydrophobicContact CE1-CD1 3.87Å; F29-L106 HydrophobicContact CE1-CD2 4.22Å; F29-L106 HydrophobicContact CE1-CG 4.17Å; F29-L106 HydrophobicContact CE2-CD1 3.92Å; F29-L106 HydrophobicContact CG-CD1 4.28Å; F29-L106 HydrophobicContact CZ-CB 4.46Å; F29-L106 HydrophobicContact CZ-CD1 3.78Å; F29-L106 HydrophobicContact CZ-CD2 4.15Å; F29-L106 HydrophobicContact CZ-CG 4.35Å
30S97.9Very high94.5Very high2 Ų239.8 Ų39.81%0.01420%0.199CC..SBendtrans-8065.5177.1-71.20000111.1N63 M93 H96 G104 A105S30-N63 CarbonylContact C-O 3.6Å; S30-M93 VanDerWaalsContact CB-SD 3.56Å; S30-H96 PolarHBondContact O-CD2 3.39Å; S30-H96 PolarHBondContact O-NE2 2.86Å; S30-G104 PolarHBondContact OG-O 3.01Å; S30-A105 PolarHBondContact N-O 3.48Å
31E97.3Very high96Very high28 Ų2837 Ų3713%0.13118%0.176CC..  trans-155.7130.6171.517555.4-106.800107.4F29 R33 D34 V37 I38 N63 R64 T65 I91F29-E31 PolarHBondContact O-N 3.42Å; E31-R33 WeakPolarHBondContact OE1-CA 3.41Å; E31-R33 PolarHBondContact OE1-N 3.44Å; E31-D34 PolarHBondContact OE1-N 2.91Å; E31-V37 HydrophobicContact CB-CG1 4.32Å; E31-V37 HydrophobicContact CG-CB 3.98Å; E31-V37 HydrophobicContact CG-CG1 3.85Å; E31-I38 HydrophobicContact CG-CG1 4.11Å; E31-N63 PolarHBondContact N-O 3.19Å; E31-R64 CarbonylContact O-C 3.35Å; E31-T65 VanDerWaalsContact O-CB 3.25Å; E31-T65 WeakPolarHBondContact O-CB 3.39Å; E31-T65 PolarHBondContact O-N 3.42Å; E31-T65 PolarHBondContact O-OG1 3.29Å; E31-I91 HydrophobicContact CB-CD1 3.95Å; E31-I91 HydrophobicContact CB-CG1 4.36Å
32G95.5Very high96.6Very high6 Ų633.4 Ų33.46%0.06216%0.162CC..SBendtrans-142.612.3178.600000114A60 N63G32-A60 WeakPolarHBondContact O-CA 3.36Å; G32-N63 PolarHBondContact N-OD1 2.68Å
33R95.3Very high97Very high147 Ų14734 Ų3456%0.55517%0.169SC*.SBendtrans-129.2-43.5-170.7-61.4175.4-177.6170.90.8112.7E31 Q35 A60E31-R33 WeakPolarHBondContact OE1-CA 3.41Å; E31-R33 PolarHBondContact OE1-N 3.44Å; R33-Q35 PolarHBondContact O-N 3.47Å; R33-A60 PolarHBondContact NE-O 2.8Å; R33-A60 PolarHBondContact NH2-O 3.05Å
34D97Very high97.2Very high75 Ų7534.7 Ų34.740%0.40118%0.175SC..  trans-84.2101.3178.4-168.6-20.8000111.3E31 K36 V37 I38E31-D34 PolarHBondContact OE1-N 2.91Å; D34-K36 PolarHBondContact O-N 3.1Å; D34-K36 WeakPolarHBondContact OD1-CB 3.25Å; D34-K36 PolarHBondContact OD1-N 2.79Å; D34-V37 HydrophobicContact CB-CB 4.26Å; D34-V37 HydrophobicContact CB-CG2 3.98Å; D34-V37 PolarHBondContact O-N 2.73Å; D34-V37 VanDerWaalsContact O-N 3.12Å; D34-I38 WeakPolarHBondContact O-CG1 3.3Å; D34-I38 PolarHBondContact O-N 3.12Å; D34-I38 VanDerWaalsContact O-N 3.08Å
35Q96.9Very high97.3Very high101 Ų10134.4 Ų34.447%0.47217%0.174SC..Hα-helixtrans-58.1-31.7179.3-164.262.248.200113R33 V37 I38 D39R33-Q35 PolarHBondContact O-N 3.47Å; Q35-V37 VanDerWaalsContact C-N 3.34Å; Q35-V37 PolarHBondContact O-N 3.2Å; Q35-I38 PolarHBondContact O-N 2.72Å; Q35-D39 PolarHBondContact NE2-OD1 2.99Å; Q35-D39 WeakPolarHBondContact O-CB 3.44Å; Q35-D39 PolarHBondContact O-N 3.13Å
36K97.6Very high97.2Very high172 Ų17237.6 Ų37.675%0.74820%0.196SC*.Hα-helixtrans-68.7-37180-63.3-178.5-179.3174.30111.6D34 A40D34-K36 PolarHBondContact O-N 3.1Å; D34-K36 WeakPolarHBondContact OD1-CB 3.25Å; D34-K36 PolarHBondContact OD1-N 2.79Å; K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 3.26Å; K36-A40 VanDerWaalsContact O-N 3.08Å
37V97.8Very high97.3Very high9 Ų944.5 Ų44.56%0.05523%0.227CC..Hα-helixtrans-68.8-43.4175.5177.60000109.4E31 D34 Q35 A40 I41 L90 I91E31-V37 HydrophobicContact CB-CG1 4.32Å; E31-V37 HydrophobicContact CG-CB 3.98Å; E31-V37 HydrophobicContact CG-CG1 3.85Å; D34-V37 HydrophobicContact CB-CB 4.26Å; D34-V37 HydrophobicContact CB-CG2 3.98Å; D34-V37 PolarHBondContact O-N 2.73Å; D34-V37 VanDerWaalsContact O-N 3.12Å; Q35-V37 VanDerWaalsContact C-N 3.34Å; Q35-V37 PolarHBondContact O-N 3.2Å; V37-A40 PolarHBondContact O-N 3.31Å; V37-I41 HydrophobicContact CG1-CD1 3.95Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.03Å; V37-I41 VanDerWaalsContact O-N 3.09Å; V37-L90 HydrophobicContact CG1-CB 3.93Å; V37-L90 HydrophobicContact CG1-CD1 4.42Å; V37-L90 HydrophobicContact CG2-CB 4.21Å; V37-I91 HydrophobicContact CG1-CD1 4.38Å; V37-I91 HydrophobicContact CG1-CG1 3.89Å
38I98.1Very high97.2Very high1 Ų145.1 Ų45.11%0.00523%0.231CC..Hα-helixtrans-60.3-52.7179.1-66.3162.5000111.2E31 D34 Q35 A40 I41 A42 V56 P58 T65 Y67E31-I38 HydrophobicContact CG-CG1 4.11Å; D34-I38 WeakPolarHBondContact O-CG1 3.3Å; D34-I38 PolarHBondContact O-N 3.12Å; D34-I38 VanDerWaalsContact O-N 3.08Å; Q35-I38 PolarHBondContact O-N 2.72Å; I38-A40 VanDerWaalsContact C-N 3.29Å; I38-A40 PolarHBondContact O-N 3.1Å; I38-I41 PolarHBondContact O-N 3.22Å; I38-A42 PolarHBondContact O-N 3.44Å; I38-V56 HydrophobicContact CG2-CG1 3.72Å; I38-P58 HydrophobicContact CD1-CB 3.87Å; I38-T65 HydrophobicContact CG2-CG2 4.21Å; I38-Y67 VanDerWaalsContact CA-OH 3.24Å; I38-Y67 WeakPolarHBondContact CA-OH 3.49Å; I38-Y67 HydrophobicContact CG2-CE1 4.43Å; I38-Y67 PolarHBondContact O-OH 2.66Å
39D97.9Very high97.1Very high86 Ų8649.3 Ų49.346%0.4627%0.266SS..Hα-helixtrans-62.9-36.9180-67.1-14.6000111.7Q35 I41 A42 A43Q35-D39 PolarHBondContact NE2-OD1 2.99Å; Q35-D39 WeakPolarHBondContact O-CB 3.44Å; Q35-D39 PolarHBondContact O-N 3.13Å; D39-I41 PolarHBondContact O-N 3.43Å; D39-A42 PolarHBondContact O-N 3.43Å; D39-A43 VanDerWaalsContact O-CB 3.26Å; D39-A43 WeakPolarHBondContact O-CB 3.39Å; D39-A43 PolarHBondContact O-N 2.79Å
40A98.1Very high96.7Very high19 Ų1951.6 Ų51.616%0.15729%0.29CS..Hα-helixtrans-65.7-37.7178.100000112.5K36 V37 I38 A44 R86 L90K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 3.26Å; K36-A40 VanDerWaalsContact O-N 3.08Å; V37-A40 PolarHBondContact O-N 3.31Å; I38-A40 VanDerWaalsContact C-N 3.29Å; I38-A40 PolarHBondContact O-N 3.1Å; A40-A44 PolarHBondContact O-N 3.12Å; A40-R86 HydrophobicContact CB-CG 4.28Å; A40-R86 WeakPolarHBondContact O-CG 3.35Å; A40-L90 HydrophobicContact CB-CD1 3.72Å
41I98.3Very high96.5Very high0 Ų052.1 Ų52.10%029%0.294CS..Hα-helixtrans-72-43.9176-65.5167.5000109.9F29 V37 I38 D39 A43 A44 I45 Y67 A83 A87 I91F29-I41 HydrophobicContact CB-CD1 4.36Å; F29-I41 HydrophobicContact CD1-CD1 4.09Å; F29-I41 HydrophobicContact CD2-CG2 3.93Å; F29-I41 HydrophobicContact CE2-CG2 3.66Å; F29-I41 HydrophobicContact CG-CD1 4.11Å; F29-I41 HydrophobicContact CG-CG2 4.44Å; F29-I41 HydrophobicContact CZ-CG2 3.99Å; V37-I41 HydrophobicContact CG1-CD1 3.95Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.03Å; V37-I41 VanDerWaalsContact O-N 3.09Å; I38-I41 PolarHBondContact O-N 3.22Å; D39-I41 PolarHBondContact O-N 3.43Å; I41-A43 VanDerWaalsContact C-N 3.34Å; I41-A43 PolarHBondContact O-N 3.02Å; I41-A44 PolarHBondContact O-N 3.19Å; I41-I45 PolarHBondContact O-N 2.99Å; I41-Y67 HydrophobicContact CB-CE1 4.06Å; I41-Y67 HydrophobicContact CG2-CD1 4.32Å; I41-Y67 HydrophobicContact CG2-CD2 4.47Å; I41-Y67 HydrophobicContact CG2-CE1 3.83Å; I41-Y67 HydrophobicContact CG2-CE2 4.01Å; I41-A83 HydrophobicContact CG2-CB 4.03Å; I41-A87 HydrophobicContact CD1-CB 3.77Å; I41-A87 HydrophobicContact CG1-CB 4.11Å; I41-I91 HydrophobicContact CD1-CD1 4.13Å
42A97.9Very high96.2Very high13 Ų1352.7 Ų52.711%0.10730%0.301CS..Hα-helixtrans-57.1-46.1174.900000111.9I38 D39 A44 I45 S46 L53 V56 Y67I38-A42 PolarHBondContact O-N 3.44Å; D39-A42 PolarHBondContact O-N 3.43Å; A42-A44 PolarHBondContact O-N 3.13Å; A42-I45 PolarHBondContact O-N 3.22Å; A42-I45 VanDerWaalsContact O-N 3.16Å; A42-S46 PolarHBondContact O-N 2.89Å; A42-S46 PolarHBondContact O-OG 3.09Å; A42-L53 HydrophobicContact CB-CD2 3.78Å; A42-V56 HydrophobicContact CB-CG2 4.1Å; A42-Y67 HydrophobicContact CB-CD1 4.31Å; A42-Y67 HydrophobicContact CB-CE1 3.96Å
43A97.7Very high96.1Very high32 Ų3254.8 Ų54.826%0.26431%0.31SS..Hα-helixtrans-57-47.9177.600000111.3D39 I41 I45 S46 E47D39-A43 VanDerWaalsContact O-CB 3.26Å; D39-A43 WeakPolarHBondContact O-CB 3.39Å; D39-A43 PolarHBondContact O-N 2.79Å; I41-A43 VanDerWaalsContact C-N 3.34Å; I41-A43 PolarHBondContact O-N 3.02Å; A43-I45 PolarHBondContact O-N 3.4Å; A43-S46 WeakPolarHBondContact CA-OG 3.26Å; A43-S46 PolarHBondContact O-N 2.85Å; A43-S46 VanDerWaalsContact O-N 3.1Å; A43-S46 PolarHBondContact O-OG 3.21Å; A43-E47 WeakPolarHBondContact O-CB 3.25Å; A43-E47 VanDerWaalsContact O-CG 3.29Å; A43-E47 WeakPolarHBondContact O-CG 3.38Å; A43-E47 PolarHBondContact O-N 3.33Å
44A97.6Very high95.9Very high15 Ų1549 Ų4912%0.12429%0.29CS..Hα-helixtrans-59.1-33.5179.200000113.2A40 I41 A42 T48 N82 R86A40-A44 PolarHBondContact O-N 3.12Å; I41-A44 PolarHBondContact O-N 3.19Å; A42-A44 PolarHBondContact O-N 3.13Å; A44-T48 PolarHBondContact O-OG1 3.43Å; A44-N82 HydrophobicContact CB-CB 4.49Å; A44-R86 HydrophobicContact CB-CB 4.06Å; A44-R86 HydrophobicContact CB-CG 4.34Å
45I97.3Very high95.7Very high0 Ų047 Ų470%028%0.28CS..Hα-helixtrans-71.3-52.3173.3-61.9169000109.9I41 A42 A43 E47 T48 L53 Y67 F69 A83I41-I45 PolarHBondContact O-N 2.99Å; A42-I45 PolarHBondContact O-N 3.22Å; A42-I45 VanDerWaalsContact O-N 3.16Å; A43-I45 PolarHBondContact O-N 3.4Å; I45-E47 VanDerWaalsContact C-N 3.3Å; I45-E47 PolarHBondContact O-N 3.41Å; I45-T48 VanDerWaalsContact O-CB 3.3Å; I45-T48 WeakPolarHBondContact O-CB 3.19Å; I45-T48 PolarHBondContact O-N 3.14Å; I45-L53 HydrophobicContact CB-CD1 4.41Å; I45-L53 HydrophobicContact CD1-CD1 4.3Å; I45-L53 HydrophobicContact CG2-CB 4.34Å; I45-L53 HydrophobicContact CG2-CD1 4.04Å; I45-Y67 HydrophobicContact CD1-CD1 3.98Å; I45-Y67 HydrophobicContact CD1-CG 4.07Å; I45-F69 HydrophobicContact CD1-CD1 4.07Å; I45-F69 HydrophobicContact CD1-CE1 4.12Å; I45-F69 HydrophobicContact CG1-CE1 4.45Å; I45-F69 HydrophobicContact CG2-CB 3.74Å; I45-F69 HydrophobicContact CG2-CD1 3.68Å; I45-F69 HydrophobicContact CG2-CD2 3.73Å; I45-F69 HydrophobicContact CG2-CE1 4.13Å; I45-F69 HydrophobicContact CG2-CE2 4.16Å; I45-F69 HydrophobicContact CG2-CG 3.45Å; I45-F69 VanDerWaalsContact CG2-CG 3.45Å; I45-F69 HydrophobicContact CG2-CZ 4.36Å; I45-A83 HydrophobicContact CD1-CB 4.03Å; I45-A83 HydrophobicContact CG1-CB 3.65Å
46S95Very high95.6Very high66 Ų6644.3 Ų44.346%0.46227%0.27SS..Hα-helixtrans-65.7-28.9-174.866.50000114.3A42 A43 T48A42-S46 PolarHBondContact O-N 2.89Å; A42-S46 PolarHBondContact O-OG 3.09Å; A43-S46 WeakPolarHBondContact CA-OG 3.26Å; A43-S46 PolarHBondContact O-N 2.85Å; A43-S46 VanDerWaalsContact O-N 3.1Å; A43-S46 PolarHBondContact O-OG 3.21Å; S46-T48 VanDerWaalsContact C-N 3.26Å
47E96.6Very high95.3Very high158 Ų15837.8 Ų37.874%0.73824%0.243SC*.THydrogen-bonded Turntrans-79-11.6176.1-70.2172.4-176.900112.3A43 I45 A49A43-E47 WeakPolarHBondContact O-CB 3.25Å; A43-E47 VanDerWaalsContact O-CG 3.29Å; A43-E47 WeakPolarHBondContact O-CG 3.38Å; A43-E47 PolarHBondContact O-N 3.33Å; I45-E47 VanDerWaalsContact C-N 3.3Å; I45-E47 PolarHBondContact O-N 3.41Å; E47-A49 PolarHBondContact O-N 3.42Å
48T96.5Very high95.1Very high14 Ų1439.9 Ų39.99%0.08626%0.257CS..SBendtrans-76.2118178-60.30000110.2A44 I45 S46 G50 C51 Q78 N82A44-T48 PolarHBondContact O-OG1 3.43Å; I45-T48 VanDerWaalsContact O-CB 3.3Å; I45-T48 WeakPolarHBondContact O-CB 3.19Å; I45-T48 PolarHBondContact O-N 3.14Å; S46-T48 VanDerWaalsContact C-N 3.26Å; T48-G50 PolarHBondContact O-N 3.46Å; T48-C51 WeakPolarHBondContact O-CB 3.02Å; T48-C51 PolarHBondContact O-N 3.17Å; T48-Q78 HydrophobicContact CG2-CB 3.99Å; T48-N82 PolarHBondContact OG1-ND2 2.92Å
49A94.3Very high94.8Very high90 Ų9040.6 Ų40.674%0.74427%0.265SS*.THydrogen-bonded Turntrans-55.3130.9179.500000111.9E47 C51E47-A49 PolarHBondContact O-N 3.42Å; A49-C51 VanDerWaalsContact C-N 3.32Å
50G90.1Very high94.4Very high49 Ų4938.8 Ų38.851%0.50526%0.261SS..THydrogen-bonded Turntrans84.2-3.7-178.700000115.1T48 G71 P72T48-G50 PolarHBondContact O-N 3.46Å; G50-G71 WeakPolarHBondContact O-CA 3.42Å; G50-P72 VanDerWaalsContact O-CD 3.25Å; G50-P72 WeakPolarHBondContact O-CD 3.38Å
51C93.2Very high94Very high14 Ų1438.7 Ų38.710%0.09526%0.26CS..  trans-96.5139.9171.3-67.70000111.3T48 A49 F69 A75T48-C51 WeakPolarHBondContact O-CB 3.02Å; T48-C51 PolarHBondContact O-N 3.17Å; A49-C51 VanDerWaalsContact C-N 3.32Å; C51-F69 HydrophobicContact CB-CD2 4.08Å; C51-A75 VanDerWaalsContact SG-C 3.55Å; C51-A75 PolarHBondContact SG-O 3.33Å
52S91.9Very high93.6Very high39 Ų3939.8 Ų39.827%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-116.3109.6167.3-72.90000109.4L54 F69 V70 Q347S52-L54 PolarHBondContact O-N 2.92Å; S52-F69 CarbonylContact O-C 3.48Å; S52-F69 WeakPolarHBondContact O-CA 3.5Å; S52-F69 VanDerWaalsContact O-CB 3.26Å; S52-F69 WeakPolarHBondContact O-CB 3.48Å; S52-V70 PolarHBondContact N-O 3.25Å; S52-V70 PolarHBondContact O-N 3.16Å; S52-Q347 PolarHBondContact OG-NE2 3.46Å; S52-Q347 PolarHBondContact OG-OE1 2.91Å
53L94Very high93.4Very high51 Ų5139.6 Ų39.627%0.26726%0.264SS..EExtended strand (participates in β ladder)trans-69116.9171.4-176.766.5000109.1A42 I45 V56 F69A42-L53 HydrophobicContact CB-CD2 3.78Å; I45-L53 HydrophobicContact CB-CD1 4.41Å; I45-L53 HydrophobicContact CD1-CD1 4.3Å; I45-L53 HydrophobicContact CG2-CB 4.34Å; I45-L53 HydrophobicContact CG2-CD1 4.04Å; L53-V56 HydrophobicContact CD1-CG2 4.06Å; L53-V56 HydrophobicContact CD2-CG2 3.82Å; L53-V56 HydrophobicContact CG-CG2 4.19Å; L53-F69 HydrophobicContact CD1-CB 4.17Å
54L90.6Very high93.3Very high25 Ų2540.7 Ų40.713%0.13126%0.261CS..EExtended strand (participates in β ladder)trans-93.5-46.7-176.1-62.9-169.3000111.3S52 T68 V70 L290 I340 M343S52-L54 PolarHBondContact O-N 2.92Å; L54-T68 WeakPolarHBondContact CA-O 3.42Å; L54-T68 WeakPolarHBondContact CB-O 3.48Å; L54-T68 PolarHBondContact N-O 3.1Å; L54-V70 HydrophobicContact CD1-CB 4.28Å; L54-V70 HydrophobicContact CD1-CG1 3.55Å; L54-V70 HydrophobicContact CD1-CG2 3.81Å; L54-V70 HydrophobicContact CD2-CG2 3.94Å; L54-V70 HydrophobicContact CG-CG1 4.33Å; L54-V70 HydrophobicContact CG-CG2 3.94Å; L54-L290 HydrophobicContact CB-CD1 4.03Å; L54-L290 HydrophobicContact CD1-CD1 3.65Å; L54-I340 HydrophobicContact CD1-CG1 4.47Å; L54-M343 HydrophobicContact CB-CE 3.62Å; L54-M343 HydrophobicContact CB-SD 4.3Å; L54-M343 HydrophobicContact CD1-SD 4.5Å; L54-M343 HydrophobicContact CD2-CB 4.36Å; L54-M343 HydrophobicContact CD2-CE 4.22Å; L54-M343 HydrophobicContact CG-CE 4.37Å; L54-M343 WeakPolarHBondContact O-CE 3.22Å
55D92.3Very high93.3Very high34 Ų3440 Ų4018%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-150.1151.2-173.2-170.338.1000112.2T68 G289 L290D55-T68 PolarHBondContact N-O 3.42Å; D55-T68 VanDerWaalsContact N-O 3.08Å; D55-T68 PolarHBondContact O-N 3.04Å; D55-G289 WeakPolarHBondContact OD2-CA 3.24Å; D55-L290 HydrophobicContact CB-CD2 3.97Å; D55-L290 HydrophobicContact CB-CG 4.47Å
56V94.6Very high93.2Very high43 Ų4340.6 Ų40.626%0.26126%0.259SS..EExtended strand (participates in β ladder)trans-137.1109.1173.8-176.50000107.2I38 A42 L53 P58 T65 Y67I38-V56 HydrophobicContact CG2-CG1 3.72Å; A42-V56 HydrophobicContact CB-CG2 4.1Å; L53-V56 HydrophobicContact CD1-CG2 4.06Å; L53-V56 HydrophobicContact CD2-CG2 3.82Å; L53-V56 HydrophobicContact CG-CG2 4.19Å; V56-P58 WeakPolarHBondContact O-CD 3.45Å; V56-T65 HydrophobicContact CG1-CG2 3.57Å; V56-Y67 HydrophobicContact CB-CD1 4.4Å; V56-Y67 HydrophobicContact CG1-CD1 3.88Å; V56-Y67 HydrophobicContact CG1-CE1 3.67Å; V56-Y67 HydrophobicContact CG2-CD1 3.79Å; V56-Y67 HydrophobicContact CG2-CE1 4.21Å
57D91.7Very high93.3Very high35 Ų3537.4 Ų37.419%0.18724%0.237CC..EExtended strand (participates in β ladder)trans-115.590-172.5-166.2-9.7000110.4T65 V66 V288 G289D57-T65 WeakPolarHBondContact O-CA 3.47Å; D57-V66 HydrophobicContact CB-CB 4.47Å; D57-V66 PolarHBondContact N-O 3.12Å; D57-V66 PolarHBondContact O-N 3.03Å; D57-V288 WeakPolarHBondContact OD2-CA 3.43Å; D57-V288 WeakPolarHBondContact OD2-CG1 3.25Å; D57-G289 PolarHBondContact OD2-N 2.77Å
58P93.6Very high93.2Very high53 Ų5330 Ų3034%0.34420%0.202SC..EExtended strand (participates in β ladder)trans-84.8133177.933-34.1000112I38 V56 T65I38-P58 HydrophobicContact CD1-CB 3.87Å; V56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-T65 HydrophobicContact CB-CG2 4.17Å; P58-T65 WeakPolarHBondContact CB-OG1 3.49Å
59G90.9Very high93.1Very high17 Ų1729.3 Ų29.318%0.17520%0.198CC..EExtended strand (participates in β ladder)trans-114.1119.5170.500000112.2T62 N63 R64G59-T62 WeakPolarHBondContact CA-OG1 3.43Å; G59-T62 PolarHBondContact O-OG1 3.34Å; G59-T62 VanDerWaalsContact O-OG1 3.14Å; G59-N63 VanDerWaalsContact O-CA 3.24Å; G59-N63 WeakPolarHBondContact O-CA 3.28Å; G59-N63 PolarHBondContact O-N 3.38Å; G59-R64 PolarHBondContact N-O 3.19Å; G59-R64 PolarHBondContact O-N 3Å
60A91.2Very high93.1Very high47 Ų4725.1 Ų25.139%0.38816%0.163SC..THydrogen-bonded Turntrans-71.1-43.2-175.800000112.9G32 R33 N63G32-A60 WeakPolarHBondContact O-CA 3.36Å; R33-A60 PolarHBondContact NE-O 2.8Å; R33-A60 PolarHBondContact NH2-O 3.05Å; A60-N63 PolarHBondContact O-N 3.28Å
61S89Confident93.2Very high18 Ų1822.9 Ų22.913%0.12614%0.14CC..THydrogen-bonded Turntrans-73.5-39.7176.7-73.60000112.5N63 E99 E246S61-N63 PolarHBondContact O-N 3.46Å; S61-E99 PolarHBondContact O-N 2.83Å; S61-E246 VanDerWaalsContact CB-OE2 3.31Å; S61-E246 WeakPolarHBondContact CB-OE2 3.48Å; S61-E246 PolarHBondContact OG-OE2 2.93Å
62T89.1Confident93.2Very high23 Ų2325.2 Ų25.214%0.14116%0.155CC..THydrogen-bonded Turntrans-70.2-19.4172.856.10000112.6G59 R64 H100 W242G59-T62 WeakPolarHBondContact CA-OG1 3.43Å; G59-T62 PolarHBondContact O-OG1 3.34Å; G59-T62 VanDerWaalsContact O-OG1 3.14Å; T62-R64 PolarHBondContact O-N 2.97Å; T62-H100 HydrophobicContact CG2-CB 4.18Å; T62-W242 HydrophobicContact CG2-CH2 4.25Å; T62-W242 HydrophobicContact CG2-CZ2 4.28Å
63N95.3Very high93.4Very high9 Ų924.5 Ų24.55%0.04815%0.15CC..THydrogen-bonded Turntrans46.748.3-173.9-162.510.7000112.2S30 E31 G32 G59 A60 S61 H96 S97S30-N63 CarbonylContact C-O 3.6Å; E31-N63 PolarHBondContact N-O 3.19Å; G32-N63 PolarHBondContact N-OD1 2.68Å; G59-N63 VanDerWaalsContact O-CA 3.24Å; G59-N63 WeakPolarHBondContact O-CA 3.28Å; G59-N63 PolarHBondContact O-N 3.38Å; A60-N63 PolarHBondContact O-N 3.28Å; S61-N63 PolarHBondContact O-N 3.46Å; N63-H96 VanDerWaalsContact CG-NE2 3.33Å; N63-H96 PolarHBondContact ND2-CD2 3.02Å; N63-H96 VanDerWaalsContact ND2-CD2 3.34Å; N63-H96 PolarHBondContact ND2-NE2 2.92Å; N63-H96 PolarHBondContact O-CE1 3.35Å; N63-H96 PolarHBondContact O-NE2 3.26Å; N63-S97 WeakPolarHBondContact CB-O 3.5Å; N63-S97 PolarHBondContact ND2-O 3.4Å
64R95.7Very high93.5Very high54 Ų5429.3 Ų29.320%0.20417%0.171CC..EExtended strand (participates in β ladder)trans-144.1143.4-178.4170.4178.3162-144.11109.1N28 F29 E31 G59 T62 H100N28-R64 VanDerWaalsContact CG-NH2 3.32Å; N28-R64 PolarHBondContact OD1-NE 3.46Å; N28-R64 PolarHBondContact OD1-NH2 3.45Å; F29-R64 WeakPolarHBondContact O-CA 3.41Å; E31-R64 CarbonylContact O-C 3.35Å; G59-R64 PolarHBondContact N-O 3.19Å; G59-R64 PolarHBondContact O-N 3Å; T62-R64 PolarHBondContact O-N 2.97Å; R64-H100 PolarHBondContact NH1-CD2 3.27Å; R64-H100 VanDerWaalsContact NH1-CD2 3.26Å; R64-H100 PolarHBondContact NH1-CE1 3.48Å; R64-H100 PolarHBondContact NH1-NE2 2.85Å
65T96.8Very high93.7Very high0 Ų028.9 Ų28.90%017%0.171CC..EExtended strand (participates in β ladder)trans-118.4130.1170.1-58.80000109.3F29 E31 I38 V56 D57 P58 Y67F29-T65 PolarHBondContact N-O 3.43Å; F29-T65 PolarHBondContact O-N 2.95Å; E31-T65 VanDerWaalsContact O-CB 3.25Å; E31-T65 WeakPolarHBondContact O-CB 3.39Å; E31-T65 PolarHBondContact O-N 3.42Å; E31-T65 PolarHBondContact O-OG1 3.29Å; I38-T65 HydrophobicContact CG2-CG2 4.21Å; V56-T65 HydrophobicContact CG1-CG2 3.57Å; D57-T65 WeakPolarHBondContact O-CA 3.47Å; P58-T65 HydrophobicContact CB-CG2 4.17Å; P58-T65 WeakPolarHBondContact CB-OG1 3.49Å; T65-Y67 HydrophobicContact CG2-CD2 3.93Å; T65-Y67 HydrophobicContact CG2-CE1 4.16Å; T65-Y67 HydrophobicContact CG2-CE2 3.37Å
66V95.5Very high94Very high13 Ų1327.2 Ų27.28%0.07916%0.162CC..EExtended strand (participates in β ladder)trans-97.5121.2171.9-170.80000107.6V26 N28 D57 V288V26-V66 HydrophobicContact CG1-CG1 3.39Å; N28-V66 WeakPolarHBondContact OD1-CG2 3.36Å; D57-V66 HydrophobicContact CB-CB 4.47Å; D57-V66 PolarHBondContact N-O 3.12Å; D57-V66 PolarHBondContact O-N 3.03Å; V66-V288 HydrophobicContact CG2-CG1 4.36Å
67Y96.7Very high94.2Very high0 Ų025.2 Ų25.20%015%0.15CC..EExtended strand (participates in β ladder)trans-103.7138.2172.6-56.8-107.3000107.3V26 P27 F29 I38 I41 A42 I45 V56 T65V26-Y67 CarbonylContact C-O 3.43Å; V26-Y67 WeakPolarHBondContact CA-O 3.39Å; P27-Y67 VanDerWaalsContact CD-O 3.24Å; P27-Y67 WeakPolarHBondContact CD-O 3.43Å; P27-Y67 PolarHBondContact O-N 3.12Å; P27-Y67 VanDerWaalsContact O-N 3.09Å; F29-Y67 HydrophobicContact CB-CE2 4.04Å; F29-Y67 AromaticContact CD2-CD2 3.53Å; F29-Y67 HydrophobicContact CD2-CD2 3.53Å; F29-Y67 AromaticContact CD2-CE2 3.48Å; F29-Y67 HydrophobicContact CD2-CE2 3.48Å; F29-Y67 VanDerWaalsContact CD2-CE2 3.48Å; F29-Y67 HydrophobicContact CE2-CD2 4.14Å; F29-Y67 HydrophobicContact CE2-CE2 4.33Å; F29-Y67 HydrophobicContact CG-CE2 4.12Å; I38-Y67 VanDerWaalsContact CA-OH 3.24Å; I38-Y67 WeakPolarHBondContact CA-OH 3.49Å; I38-Y67 HydrophobicContact CG2-CE1 4.43Å; I38-Y67 PolarHBondContact O-OH 2.66Å; I41-Y67 HydrophobicContact CB-CE1 4.06Å; I41-Y67 HydrophobicContact CG2-CD1 4.32Å; I41-Y67 HydrophobicContact CG2-CD2 4.47Å; I41-Y67 HydrophobicContact CG2-CE1 3.83Å; I41-Y67 HydrophobicContact CG2-CE2 4.01Å; A42-Y67 HydrophobicContact CB-CD1 4.31Å; A42-Y67 HydrophobicContact CB-CE1 3.96Å; I45-Y67 HydrophobicContact CD1-CD1 3.98Å; I45-Y67 HydrophobicContact CD1-CG 4.07Å; V56-Y67 HydrophobicContact CB-CD1 4.4Å; V56-Y67 HydrophobicContact CG1-CD1 3.88Å; V56-Y67 HydrophobicContact CG1-CE1 3.67Å; V56-Y67 HydrophobicContact CG2-CD1 3.79Å; V56-Y67 HydrophobicContact CG2-CE1 4.21Å; T65-Y67 HydrophobicContact CG2-CD2 3.93Å; T65-Y67 HydrophobicContact CG2-CE1 4.16Å; T65-Y67 HydrophobicContact CG2-CE2 3.37Å
68T95Very high94.5Very high2 Ų227.3 Ų27.31%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-125.2123.4177.1-52.30000108.9E24 V26 L54 D55 L290E24-T68 HydrophobicContact CG-CG2 3.96Å; E24-T68 VanDerWaalsContact OE1-CG2 3.31Å; E24-T68 WeakPolarHBondContact OE1-CG2 3.35Å; V26-T68 HydrophobicContact CG2-CG2 4.24Å; L54-T68 WeakPolarHBondContact CA-O 3.42Å; L54-T68 WeakPolarHBondContact CB-O 3.48Å; L54-T68 PolarHBondContact N-O 3.1Å; D55-T68 PolarHBondContact N-O 3.42Å; D55-T68 VanDerWaalsContact N-O 3.08Å; D55-T68 PolarHBondContact O-N 3.04Å; T68-L290 HydrophobicContact CG2-CD1 3.4Å; T68-L290 HydrophobicContact CG2-CG 3.82Å
69F94.9Very high94.7Very high0 Ų024.8 Ų24.80%014%0.142CC..EExtended strand (participates in β ladder)trans-144.3156.9176.867.3-81.3000111.1C25 P27 I45 C51 S52 L53 V76 A80C25-F69 HydrophobicContact CB-CD1 4.17Å; C25-F69 HydrophobicContact CB-CD2 4.37Å; C25-F69 HydrophobicContact CB-CE1 3.62Å; C25-F69 HydrophobicContact CB-CE2 3.87Å; C25-F69 HydrophobicContact CB-CZ 3.45Å; C25-F69 VanDerWaalsContact CB-CZ 3.45Å; C25-F69 PolarHBondContact N-O 3.17Å; C25-F69 WeakPolarHBondContact O-CD1 3.3Å; C25-F69 PolarHBondContact O-N 3.36Å; P27-F69 HydrophobicContact CG-CD1 4.44Å; P27-F69 HydrophobicContact CG-CE1 3.77Å; I45-F69 HydrophobicContact CD1-CD1 4.07Å; I45-F69 HydrophobicContact CD1-CE1 4.12Å; I45-F69 HydrophobicContact CG1-CE1 4.45Å; I45-F69 HydrophobicContact CG2-CB 3.74Å; I45-F69 HydrophobicContact CG2-CD1 3.68Å; I45-F69 HydrophobicContact CG2-CD2 3.73Å; I45-F69 HydrophobicContact CG2-CE1 4.13Å; I45-F69 HydrophobicContact CG2-CE2 4.16Å; I45-F69 HydrophobicContact CG2-CG 3.45Å; I45-F69 VanDerWaalsContact CG2-CG 3.45Å; I45-F69 HydrophobicContact CG2-CZ 4.36Å; C51-F69 HydrophobicContact CB-CD2 4.08Å; S52-F69 CarbonylContact O-C 3.48Å; S52-F69 WeakPolarHBondContact O-CA 3.5Å; S52-F69 VanDerWaalsContact O-CB 3.26Å; S52-F69 WeakPolarHBondContact O-CB 3.48Å; L53-F69 HydrophobicContact CD1-CB 4.17Å; F69-V76 HydrophobicContact CD2-CG1 4.29Å; F69-V76 HydrophobicContact CE2-CB 3.96Å; F69-V76 HydrophobicContact CE2-CG1 4.13Å; F69-A80 HydrophobicContact CZ-CB 4.18Å
70V93.4Very high95Very high1 Ų124 Ų241%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-126.9154.7-178.2-65.90000111.5L22 V23 E24 S52 L54 I340L22-V70 HydrophobicContact CD1-CB 3.91Å; L22-V70 HydrophobicContact CD1-CG2 4.12Å; L22-V70 HydrophobicContact CD2-CB 4.06Å; L22-V70 HydrophobicContact CD2-CG1 4.33Å; L22-V70 HydrophobicContact CD2-CG2 4.24Å; L22-V70 HydrophobicContact CG-CB 3.91Å; L22-V70 HydrophobicContact CG-CG1 4.46Å; L22-V70 HydrophobicContact CG-CG2 4.43Å; V23-V70 VanDerWaalsContact O-CA 3.27Å; V23-V70 WeakPolarHBondContact O-CA 3.45Å; E24-V70 HydrophobicContact CB-CG1 4.09Å; E24-V70 HydrophobicContact CG-CG1 4.43Å; S52-V70 PolarHBondContact N-O 3.25Å; S52-V70 PolarHBondContact O-N 3.16Å; L54-V70 HydrophobicContact CD1-CB 4.28Å; L54-V70 HydrophobicContact CD1-CG1 3.55Å; L54-V70 HydrophobicContact CD1-CG2 3.81Å; L54-V70 HydrophobicContact CD2-CG2 3.94Å; L54-V70 HydrophobicContact CG-CG1 4.33Å; L54-V70 HydrophobicContact CG-CG2 3.94Å; V70-I340 HydrophobicContact CG1-CD1 4.38Å
71G92.4Very high95.4Very high3 Ų321.8 Ų21.83%0.03112%0.115CC..EExtended strand (participates in β ladder)trans174.3-179.8174.100000112.4V23 G50 V76V23-G71 PolarHBondContact N-O 2.84Å; V23-G71 PolarHBondContact O-N 2.92Å; V23-G71 VanDerWaalsContact O-N 3.13Å; G50-G71 WeakPolarHBondContact O-CA 3.42Å; G71-V76 VanDerWaalsContact N-CG1 3.28Å; G71-V76 WeakPolarHBondContact O-CG1 3.43Å
72P93.4Very high95.8Very high63 Ų6323.2 Ų23.241%0.40912%0.122SC..  trans-58.9152.7170.3-23.534.2000112.1Q21 G50 E74 A75 V76Q21-P72 WeakPolarHBondContact O-CA 3.15Å; G50-P72 VanDerWaalsContact O-CD 3.25Å; G50-P72 WeakPolarHBondContact O-CD 3.38Å; P72-E74 VanDerWaalsContact C-N 3.34Å; P72-E74 PolarHBondContact O-N 3.07Å; P72-A75 HydrophobicContact CB-CB 4.46Å; P72-A75 PolarHBondContact O-N 3.48Å; P72-V76 PolarHBondContact O-N 2.78Å
73P95.4Very high96.3Very high23 Ų2322.1 Ų22.115%0.14912%0.115CC..Hα-helixtrans-45.9-49.3-176.5-32.436.4000115Q21 V23 V76 V77 V117Q21-P73 HydrophobicContact CB-CG 4.43Å; V23-P73 HydrophobicContact CG2-CG 4.04Å; P73-V76 WeakPolarHBondContact O-CG2 3.25Å; P73-V77 WeakPolarHBondContact O-CG2 3.34Å; P73-V77 PolarHBondContact O-N 3.36Å; P73-V117 HydrophobicContact CG-CG2 4.47Å
74E95.7Very high96.4Very high153 Ų15321.7 Ų21.772%0.71511%0.113SC*.Hα-helixtrans-69.5-37.7-179.1-63.3-173.4170.500113P72 Q78P72-E74 VanDerWaalsContact C-N 3.34Å; P72-E74 PolarHBondContact O-N 3.07Å; E74-Q78 PolarHBondContact O-N 3.44Å
75A96.3Very high96.5Very high15 Ų1523.7 Ų23.712%0.12412%0.12CC..Hα-helixtrans-66.2-44.4-179.100000110.6C51 P72 V77 Q78 G79C51-A75 VanDerWaalsContact SG-C 3.55Å; C51-A75 PolarHBondContact SG-O 3.33Å; P72-A75 HydrophobicContact CB-CB 4.46Å; P72-A75 PolarHBondContact O-N 3.48Å; A75-V77 VanDerWaalsContact C-N 3.31Å; A75-V77 PolarHBondContact O-N 3.19Å; A75-Q78 PolarHBondContact O-N 3.42Å; A75-Q78 VanDerWaalsContact O-N 3.12Å; A75-G79 PolarHBondContact O-N 3.46Å
76V97.3Very high96.6Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-66.2-34.2-178.3-63.60000112.9V23 C25 F69 G71 P72 P73 Q78 G79 A80 F111V23-V76 HydrophobicContact CB-CG2 3.91Å; V23-V76 HydrophobicContact CG1-CG2 3.9Å; C25-V76 HydrophobicContact CB-CB 4.25Å; F69-V76 HydrophobicContact CD2-CG1 4.29Å; F69-V76 HydrophobicContact CE2-CB 3.96Å; F69-V76 HydrophobicContact CE2-CG1 4.13Å; G71-V76 VanDerWaalsContact N-CG1 3.28Å; G71-V76 WeakPolarHBondContact O-CG1 3.43Å; P72-V76 PolarHBondContact O-N 2.78Å; P73-V76 WeakPolarHBondContact O-CG2 3.25Å; V76-Q78 VanDerWaalsContact C-N 3.35Å; V76-G79 PolarHBondContact O-N 2.92Å; V76-A80 WeakPolarHBondContact O-CB 3.44Å; V76-A80 PolarHBondContact O-N 3.36Å; V76-F111 HydrophobicContact CB-CE1 4.48Å; V76-F111 HydrophobicContact CG2-CD1 4Å; V76-F111 HydrophobicContact CG2-CE1 4.03Å
77V98.4Very high96.7Very high1 Ų129.4 Ų29.41%0.00614%0.14CC..Hα-helixtrans-62-44.4173170.70000110.4P73 A75 A80 L81 F111 C125 Q128 F129P73-V77 WeakPolarHBondContact O-CG2 3.34Å; P73-V77 PolarHBondContact O-N 3.36Å; A75-V77 VanDerWaalsContact C-N 3.31Å; A75-V77 PolarHBondContact O-N 3.19Å; V77-A80 PolarHBondContact O-N 3.23Å; V77-L81 HydrophobicContact CG1-CD1 4.03Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 3.47Å; V77-F111 HydrophobicContact CG2-CE1 4.06Å; V77-F111 HydrophobicContact CG2-CZ 4.29Å; V77-C125 HydrophobicContact CG2-CB 3.76Å; V77-Q128 HydrophobicContact CG1-CB 4.49Å; V77-Q128 HydrophobicContact CG1-CG 4.09Å; V77-F129 HydrophobicContact CG1-CB 4.2Å
78Q98.3Very high96.7Very high78 Ų7832.7 Ų32.736%0.36416%0.155SC..Hα-helixtrans-65.8-40.7175.7-89.2-669.900113T48 E74 A75 V76 A80 L81 N82T48-Q78 HydrophobicContact CG2-CB 3.99Å; E74-Q78 PolarHBondContact O-N 3.44Å; A75-Q78 PolarHBondContact O-N 3.42Å; A75-Q78 VanDerWaalsContact O-N 3.12Å; V76-Q78 VanDerWaalsContact C-N 3.35Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 2.87Å; Q78-L81 PolarHBondContact O-N 3.4Å; Q78-N82 WeakPolarHBondContact O-CB 3.46Å; Q78-N82 PolarHBondContact O-N 3.09Å; Q78-N82 PolarHBondContact O-ND2 3.47Å
79G98Very high96.7Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-58.3-45.7177.100000111.3A75 V76 L81 N82 A83A75-G79 PolarHBondContact O-N 3.46Å; V76-G79 PolarHBondContact O-N 2.92Å; G79-L81 PolarHBondContact O-N 3.16Å; G79-N82 PolarHBondContact O-N 2.91Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 2.98Å
80A98.4Very high96.8Very high0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-63-41.5176.300000112.6F69 V76 V77 Q78 A84 F111 F129F69-A80 HydrophobicContact CZ-CB 4.18Å; V76-A80 WeakPolarHBondContact O-CB 3.44Å; V76-A80 PolarHBondContact O-N 3.36Å; V77-A80 PolarHBondContact O-N 3.23Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 2.87Å; A80-A84 WeakPolarHBondContact O-CB 3.49Å; A80-A84 PolarHBondContact O-N 3.25Å; A80-F111 HydrophobicContact CB-CZ 4.32Å; A80-F129 HydrophobicContact CB-CD2 3.63Å; A80-F129 HydrophobicContact CB-CE2 3.48Å; A80-F129 VanDerWaalsContact CB-CE2 3.48Å; A80-F129 HydrophobicContact CB-CZ 4.35Å
81L98.5Very high97Very high1 Ų139.5 Ų39.51%0.00521%0.207CC..Hα-helixtrans-66.7-42.1177.5-72.4166.9000112.3V77 Q78 G79 A84 R85 F129 Q132 L133V77-L81 HydrophobicContact CG1-CD1 4.03Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 3.47Å; Q78-L81 PolarHBondContact O-N 3.4Å; G79-L81 PolarHBondContact O-N 3.16Å; L81-A84 PolarHBondContact O-N 3.46Å; L81-R85 VanDerWaalsContact O-CG 3.32Å; L81-R85 WeakPolarHBondContact O-CG 3.36Å; L81-R85 PolarHBondContact O-N 3.16Å; L81-F129 HydrophobicContact CD2-CD2 3.84Å; L81-F129 HydrophobicContact CD2-CE2 3.9Å; L81-F129 HydrophobicContact CG-CD2 3.84Å; L81-F129 HydrophobicContact CG-CE2 4.1Å; L81-Q132 HydrophobicContact CD1-CB 3.83Å; L81-Q132 HydrophobicContact CD2-CB 4.03Å; L81-L133 HydrophobicContact CD2-CB 3.89Å; L81-L133 HydrophobicContact CD2-CD1 4.23Å
82N98.3Very high97.3Very high49 Ų4941.9 Ų41.926%0.26222%0.219SC..Hα-helixtrans-63.4-44177.2-73.4-21.3000111.3A44 T48 Q78 G79 A84 R85 R86A44-N82 HydrophobicContact CB-CB 4.49Å; T48-N82 PolarHBondContact OG1-ND2 2.92Å; Q78-N82 WeakPolarHBondContact O-CB 3.46Å; Q78-N82 PolarHBondContact O-N 3.09Å; Q78-N82 PolarHBondContact O-ND2 3.47Å; G79-N82 PolarHBondContact O-N 2.91Å; N82-A84 PolarHBondContact O-N 3.23Å; N82-R85 PolarHBondContact O-N 2.79Å; N82-R85 PolarHBondContact OD1-NH1 3.08Å; N82-R86 WeakPolarHBondContact O-CB 3.49Å; N82-R86 PolarHBondContact O-N 3.48Å
83A98.3Very high97.4Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-57.4-47.9172.800000111.6F29 I41 I45 G79 R86 A87F29-A83 HydrophobicContact CE2-CB 4.1Å; F29-A83 HydrophobicContact CZ-CB 3.75Å; I41-A83 HydrophobicContact CG2-CB 4.03Å; I45-A83 HydrophobicContact CD1-CB 4.03Å; I45-A83 HydrophobicContact CG1-CB 3.65Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 2.98Å; A83-R86 PolarHBondContact O-N 3.11Å; A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 3.15Å
84A98.3Very high97.5Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-63.9-43.8179.900000112.8A80 L81 N82 R86 A87 F88 L106 L133 L137 W189A80-A84 WeakPolarHBondContact O-CB 3.49Å; A80-A84 PolarHBondContact O-N 3.25Å; L81-A84 PolarHBondContact O-N 3.46Å; N82-A84 PolarHBondContact O-N 3.23Å; A84-R86 VanDerWaalsContact C-N 3.27Å; A84-R86 PolarHBondContact O-N 2.86Å; A84-A87 PolarHBondContact O-N 3.24Å; A84-F88 WeakPolarHBondContact O-CB 3.34Å; A84-F88 PolarHBondContact O-N 2.97Å; A84-L106 HydrophobicContact CB-CD2 3.92Å; A84-L133 HydrophobicContact CB-CD1 3.45Å; A84-L133 VanDerWaalsContact CB-CD1 3.45Å; A84-L137 HydrophobicContact CB-CD1 4.45Å; A84-W189 HydrophobicContact CB-CH2 4.11Å
85R97.8Very high97.5Very high95 Ų9541.9 Ų41.936%0.35822%0.217SC..Hα-helixtrans-58.2-41.3174.2-73.5174.5-169.7127.96.1111.4L81 N82 T136 L137L81-R85 VanDerWaalsContact O-CG 3.32Å; L81-R85 WeakPolarHBondContact O-CG 3.36Å; L81-R85 PolarHBondContact O-N 3.16Å; N82-R85 PolarHBondContact O-N 2.79Å; N82-R85 PolarHBondContact OD1-NH1 3.08Å; R85-T136 HydrophobicContact CG-CG2 4.34Å; R85-L137 HydrophobicContact CG-CD2 4.48Å
86R97.8Very high97.5Very high133 Ų13342 Ų4250%0.50222%0.215SC..Hα-helixtrans-67.3-45.7179.2-169.755.4170.2162.72.9111.4A40 A44 N82 A83 A84 F88 G89 L90A40-R86 HydrophobicContact CB-CG 4.28Å; A40-R86 WeakPolarHBondContact O-CG 3.35Å; A44-R86 HydrophobicContact CB-CB 4.06Å; A44-R86 HydrophobicContact CB-CG 4.34Å; N82-R86 WeakPolarHBondContact O-CB 3.49Å; N82-R86 PolarHBondContact O-N 3.48Å; A83-R86 PolarHBondContact O-N 3.11Å; A84-R86 VanDerWaalsContact C-N 3.27Å; A84-R86 PolarHBondContact O-N 2.86Å; R86-F88 VanDerWaalsContact C-N 3.31Å; R86-F88 PolarHBondContact O-N 3.37Å; R86-G89 PolarHBondContact O-N 3.38Å; R86-L90 HydrophobicContact CG-CD1 4Å; R86-L90 WeakPolarHBondContact O-CD1 3.4Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å
87A97.8Very high97.3Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-63.1-34.2177.600000113.1F29 I41 A83 A84 G89 L90 I91 W189F29-A87 HydrophobicContact CD1-CB 3.56Å; F29-A87 HydrophobicContact CE1-CB 3.36Å; F29-A87 HydrophobicContact CZ-CB 4.39Å; I41-A87 HydrophobicContact CD1-CB 3.77Å; I41-A87 HydrophobicContact CG1-CB 4.11Å; A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 3.15Å; A84-A87 PolarHBondContact O-N 3.24Å; A87-G89 PolarHBondContact O-N 3.35Å; A87-L90 PolarHBondContact O-N 2.86Å; A87-I91 HydrophobicContact CB-CD1 4.12Å; A87-I91 PolarHBondContact O-N 2.91Å; A87-W189 HydrophobicContact CB-CH2 4.47Å; A87-W189 HydrophobicContact CB-CZ3 4.19Å
88F97.4Very high96.9Very high70 Ų7046.6 Ų46.631%0.30725%0.251SS..Hα-helixtrans-58.9-31.1-176.9-171-94.1000113.4A84 R86 L137 V139 V186 W189A84-F88 WeakPolarHBondContact O-CB 3.34Å; A84-F88 PolarHBondContact O-N 2.97Å; R86-F88 VanDerWaalsContact C-N 3.31Å; R86-F88 PolarHBondContact O-N 3.37Å; F88-L137 HydrophobicContact CB-CD1 4.24Å; F88-L137 HydrophobicContact CB-CD2 4.18Å; F88-L137 HydrophobicContact CD1-CD2 4.31Å; F88-L137 HydrophobicContact CD2-CB 4.18Å; F88-L137 HydrophobicContact CD2-CD1 3.85Å; F88-L137 HydrophobicContact CD2-CD2 4.1Å; F88-L137 HydrophobicContact CD2-CG 4.27Å; F88-L137 HydrophobicContact CE2-CB 4.14Å; F88-L137 HydrophobicContact CG-CD1 4.26Å; F88-L137 HydrophobicContact CG-CD2 3.94Å; F88-V139 HydrophobicContact CE2-CG1 4Å; F88-V186 HydrophobicContact CE2-CG1 4.47Å; F88-W189 HydrophobicContact CB-CE3 4.07Å; F88-W189 HydrophobicContact CB-CZ3 3.78Å; F88-W189 HydrophobicContact CD2-CB 4.43Å; F88-W189 AromaticContact CD2-CD2 3.81Å; F88-W189 HydrophobicContact CD2-CD2 3.81Å; F88-W189 AromaticContact CD2-CE3 3.39Å; F88-W189 HydrophobicContact CD2-CE3 3.39Å; F88-W189 HydrophobicContact CD2-CG 4.29Å; F88-W189 AromaticContact CD2-CZ3 3.91Å; F88-W189 HydrophobicContact CD2-CZ3 3.91Å; F88-W189 HydrophobicContact CE2-CB 4.17Å; F88-W189 HydrophobicContact CE2-CD2 4.32Å; F88-W189 HydrophobicContact CE2-CE3 4.25Å; F88-W189 HydrophobicContact CE2-CG 4.33Å; F88-W189 HydrophobicContact CG-CE3 4.15Å; F88-W189 HydrophobicContact CG-CZ3 4.34Å
89G94.6Very high96.4Very high69 Ų6947.2 Ų47.271%0.71125%0.254SS*.THydrogen-bonded Turntrans-91.2-4.2175.900000115R86 A87R86-G89 PolarHBondContact O-N 3.38Å; A87-G89 PolarHBondContact O-N 3.35Å
90L97.1Very high95.9Very high68 Ų6848.1 Ų48.136%0.35626%0.258SS..THydrogen-bonded Turntrans-118.8-30.8-170-64.6177.5000113.5V37 A40 R86 A87V37-L90 HydrophobicContact CG1-CB 3.93Å; V37-L90 HydrophobicContact CG1-CD1 4.42Å; V37-L90 HydrophobicContact CG2-CB 4.21Å; A40-L90 HydrophobicContact CB-CD1 3.72Å; R86-L90 HydrophobicContact CG-CD1 4Å; R86-L90 WeakPolarHBondContact O-CD1 3.4Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; A87-L90 PolarHBondContact O-N 2.86Å
91I97.7Very high95.6Very high9 Ų949.5 Ų49.55%0.04627%0.267CS..  trans-102.3134.3-178.5-59.4179.1000109.6F29 E31 V37 I41 A87 M93 A105F29-I91 HydrophobicContact CB-CD1 4.24Å; F29-I91 HydrophobicContact CD1-CD1 4.29Å; E31-I91 HydrophobicContact CB-CD1 3.95Å; E31-I91 HydrophobicContact CB-CG1 4.36Å; V37-I91 HydrophobicContact CG1-CD1 4.38Å; V37-I91 HydrophobicContact CG1-CG1 3.89Å; I41-I91 HydrophobicContact CD1-CD1 4.13Å; A87-I91 HydrophobicContact CB-CD1 4.12Å; A87-I91 PolarHBondContact O-N 2.91Å; I91-M93 HydrophobicContact CG2-SD 4.26Å; I91-A105 HydrophobicContact CB-CB 3.97Å; I91-A105 HydrophobicContact CD1-CB 4.43Å; I91-A105 HydrophobicContact CG2-CB 3.65Å
92D97.6Very high95.4Very high53 Ų5350.1 Ų50.128%0.28327%0.269SS..  trans-121.798.5173.5-179.22.9000109.8S94 K95D92-S94 VanDerWaalsContact CG-OG 3.24Å; D92-S94 PolarHBondContact O-N 3.06Å; D92-S94 VanDerWaalsContact O-N 3.15Å; D92-S94 WeakPolarHBondContact OD1-CB 3.35Å; D92-S94 PolarHBondContact OD1-N 2.98Å; D92-S94 VanDerWaalsContact OD1-N 3.16Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 3.18Å; D92-K95 PolarHBondContact O-N 2.93Å; D92-K95 VanDerWaalsContact O-N 3.08Å; D92-K95 WeakPolarHBondContact OD2-CE 3.47Å; D92-K95 IonicContact OD2-NZ 3.8Å; D92-K95 PolarHBondContact OD2-NZ 2.89Å
93M97.5Very high95.2Very high1 Ų147.9 Ų47.91%0.00526%0.258CS..G310 helixtrans-60.3-23.1-178.5-74.3-57-6200114S30 I91 K95 H96 R102 A105 Y164 S188 W189S30-M93 VanDerWaalsContact CB-SD 3.56Å; I91-M93 HydrophobicContact CG2-SD 4.26Å; M93-K95 PolarHBondContact O-N 3.44Å; M93-K95 VanDerWaalsContact O-N 3.14Å; M93-H96 HydrophobicContact CE-CB 4.08Å; M93-H96 PolarHBondContact O-N 3.27Å; M93-H96 VanDerWaalsContact O-N 3.11Å; M93-H96 HydrophobicContact SD-CB 3.91Å; M93-R102 HydrophobicContact CE-CG 3.6Å; M93-A105 HydrophobicContact CG-CB 3.92Å; M93-A105 HydrophobicContact SD-CB 4.23Å; M93-A105 PolarHBondContact SD-N 2.98Å; M93-A105 VanDerWaalsContact SD-N 3.45Å; M93-Y164 HydrophobicContact CB-CD2 3.94Å; M93-Y164 HydrophobicContact CB-CE2 3.56Å; M93-Y164 HydrophobicContact CE-CD2 4.23Å; M93-Y164 HydrophobicContact CE-CG 4.34Å; M93-Y164 HydrophobicContact CG-CE2 4.5Å; M93-S188 WeakPolarHBondContact CG-O 3.37Å; M93-S188 PolarHBondContact N-O 3.29Å; M93-W189 WeakPolarHBondContact CG-O 3.4Å
94S95.8Very high95.2Very high70 Ų7047.9 Ų47.949%0.4926%0.258SS..G310 helixtrans-64.6-18176.773.80000113.6D92 P187D92-S94 VanDerWaalsContact CG-OG 3.24Å; D92-S94 PolarHBondContact O-N 3.06Å; D92-S94 VanDerWaalsContact O-N 3.15Å; D92-S94 WeakPolarHBondContact OD1-CB 3.35Å; D92-S94 PolarHBondContact OD1-N 2.98Å; D92-S94 VanDerWaalsContact OD1-N 3.16Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 3.18Å; S94-P187 PolarHBondContact N-O 3.31Å
95K95.7Very high95.1Very high167 Ų16747.9 Ų47.973%0.72626%0.258SS*.G310 helixtrans-111.20.2177.7-61.5173.8-173129.50112.6D92 M93D92-K95 PolarHBondContact O-N 2.93Å; D92-K95 VanDerWaalsContact O-N 3.08Å; D92-K95 WeakPolarHBondContact OD2-CE 3.47Å; D92-K95 IonicContact OD2-NZ 3.8Å; D92-K95 PolarHBondContact OD2-NZ 2.89Å; M93-K95 PolarHBondContact O-N 3.44Å; M93-K95 VanDerWaalsContact O-N 3.14Å
96H97.1Very high95.2Very high18 Ų1843.4 Ų43.48%0.08324%0.24CC..  trans-86.3131.6-175.5-178.1-81000112.1S30 N63 M93 R102S30-H96 PolarHBondContact O-CD2 3.39Å; S30-H96 PolarHBondContact O-NE2 2.86Å; N63-H96 VanDerWaalsContact CG-NE2 3.33Å; N63-H96 PolarHBondContact ND2-CD2 3.02Å; N63-H96 VanDerWaalsContact ND2-CD2 3.34Å; N63-H96 PolarHBondContact ND2-NE2 2.92Å; N63-H96 PolarHBondContact O-CE1 3.35Å; N63-H96 PolarHBondContact O-NE2 3.26Å; M93-H96 HydrophobicContact CE-CB 4.08Å; M93-H96 PolarHBondContact O-N 3.27Å; M93-H96 VanDerWaalsContact O-N 3.11Å; M93-H96 HydrophobicContact SD-CB 3.91Å; H96-R102 PolarHBondContact ND1-NE 3.47Å; H96-R102 PolarHBondContact O-NH2 3.37Å
97S92.6Very high95.1Very high72 Ų7237.1 Ų37.150%0.50322%0.217SC..  trans-143.4142168.763.90000110.1N63N63-S97 WeakPolarHBondContact CB-O 3.5Å; N63-S97 PolarHBondContact ND2-O 3.4Å
98G90.6Very high95.1Very high26 Ų2637.3 Ų37.327%0.26822%0.218SC..  trans-162.7163.7175.800000111.8H100G98-H100 PolarHBondContact O-N 2.94Å
99E87.1Confident95.2Very high90 Ų9034 Ų3442%0.42120%0.204SC..SBendtrans-68.4-22.5179.8-70.7-65.3132.900113.2S61 K211S61-E99 PolarHBondContact O-N 2.83Å; E99-K211 IonicContact OE2-NZ 2.75Å; E99-K211 PolarHBondContact OE2-NZ 3.48Å
100H88.8Confident95.3Very high19 Ų1930.8 Ų30.89%0.08817%0.17CC..SBendtrans-88.6130.2178.6-178.2-85.3000110.2T62 R64 G98 R160 W242T62-H100 HydrophobicContact CG2-CB 4.18Å; R64-H100 PolarHBondContact NH1-CD2 3.27Å; R64-H100 VanDerWaalsContact NH1-CD2 3.26Å; R64-H100 PolarHBondContact NH1-CE1 3.48Å; R64-H100 PolarHBondContact NH1-NE2 2.85Å; G98-H100 PolarHBondContact O-N 2.94Å; H100-R160 PolarHBondContact CE1-NH1 3.29Å; H100-R160 PolarHBondContact CE1-NH2 2.92Å; H100-R160 VanDerWaalsContact CE1-NH2 3.27Å; H100-W242 AromaticContact CD2-CZ3 3.97Å
101P90.5Very high95.3Very high29 Ų2927.5 Ų27.519%0.18815%0.153CC..  trans-62.6149.3-178.10.73.2000111.3R160 E163 L240P101-R160 PolarHBondContact O-NH2 3.4Å; P101-E163 VanDerWaalsContact CA-OE2 3.24Å; P101-E163 WeakPolarHBondContact CA-OE2 3.38Å; P101-E163 HydrophobicContact CB-CG 3.96Å; P101-L240 HydrophobicContact CG-CD1 4.24Å
102R94.8Very high95.2Very high14 Ų1427.1 Ų27.15%0.05315%0.151CC..  trans-155.5146.5-175.876.6-62.1172.2-115.2-5.5112.8M93 H96 D107 E163 Y164 E165M93-R102 HydrophobicContact CE-CG 3.6Å; H96-R102 PolarHBondContact ND1-NE 3.47Å; H96-R102 PolarHBondContact O-NH2 3.37Å; R102-D107 WeakPolarHBondContact CA-OD1 3.35Å; R102-E163 IonicContact CZ-OE2 3.35Å; R102-E163 PolarHBondContact N-OE2 3.03Å; R102-E163 IonicContact NH1-OE2 2.76Å; R102-E163 PolarHBondContact NH1-OE2 3.4Å; R102-E163 CarbonylContact O-C 3.51Å; R102-E163 WeakPolarHBondContact O-CA 3.39Å; R102-E163 WeakPolarHBondContact O-CB 3.3Å; R102-Y164 PolarHBondContact O-N 2.87Å; R102-E165 IonicContact CZ-OE1 3.33Å; R102-E165 IonicContact CZ-OE2 3.11Å; R102-E165 IonicContact NH1-OE1 2.64Å; R102-E165 PolarHBondContact NH1-OE1 2.75Å; R102-E165 IonicContact NH1-OE2 3.2Å; R102-E165 PolarHBondContact NH1-OE2 3.36Å; R102-E165 IonicContact NH2-OE1 3.98Å; R102-E165 PolarHBondContact NH2-OE1 2.85Å; R102-E165 IonicContact NH2-OE2 2.77Å
103T94.8Very high95Very high3 Ų326.4 Ų26.42%0.01815%0.149CC..SBendtrans-113.2-15.3174.845.60000114.3D107 R160 L167 G190 A191T103-D107 PolarHBondContact N-OD1 3.36Å; T103-D107 PolarHBondContact OG1-OD1 2.89Å; T103-D107 VanDerWaalsContact OG1-OD1 3.09Å; T103-R160 HydrophobicContact CG2-CB 4.11Å; T103-R160 HydrophobicContact CG2-CG 3.79Å; T103-L167 WeakPolarHBondContact O-CD1 3.19Å; T103-G190 WeakPolarHBondContact O-CA 3.17Å; T103-A191 CarbonylContact C-O 3.56Å; T103-A191 PolarHBondContact O-N 2.88Å
104G97.1Very high94.5Very high0 Ų028.8 Ų28.80%016%0.164CC..BIsolated β-bridgetrans-165.5170.1178.800000114.1S30 L106 D107 W189 A191S30-G104 PolarHBondContact OG-O 3.01Å; G104-L106 CarbonylContact O-C 3.55Å; G104-L106 PolarHBondContact O-N 3.19Å; G104-D107 PolarHBondContact O-N 3.48Å; G104-W189 CarbonylContact C-O 3.47Å; G104-W189 WeakPolarHBondContact CA-O 3.31Å; G104-A191 WeakPolarHBondContact CA-O 3.39Å; G104-A191 PolarHBondContact N-O 3.09Å
105A97.8Very high93.9Very high0 Ų028.3 Ų28.30%015%0.154CC..SBendtrans-57.1-38.6-178.600000111.7F29 S30 I91 M93 W189F29-A105 CarbonylContact C-O 3.58Å; F29-A105 WeakPolarHBondContact CA-O 3.43Å; F29-A105 WeakPolarHBondContact CD1-O 3.36Å; S30-A105 PolarHBondContact N-O 3.48Å; I91-A105 HydrophobicContact CB-CB 3.97Å; I91-A105 HydrophobicContact CD1-CB 4.43Å; I91-A105 HydrophobicContact CG2-CB 3.65Å; M93-A105 HydrophobicContact CG-CB 3.92Å; M93-A105 HydrophobicContact SD-CB 4.23Å; M93-A105 PolarHBondContact SD-N 2.98Å; M93-A105 VanDerWaalsContact SD-N 3.45Å; A105-W189 HydrophobicContact CB-CD2 3.95Å; A105-W189 HydrophobicContact CB-CE3 3.48Å; A105-W189 VanDerWaalsContact CB-CE3 3.48Å; A105-W189 HydrophobicContact CB-CH2 4.45Å; A105-W189 HydrophobicContact CB-CZ3 3.75Å; A105-W189 PolarHBondContact N-O 2.94Å
106L98.3Very high93.2Very high0 Ų023.8 Ų23.80%014%0.137CC..EExtended strand (participates in β ladder)trans-10898.4158.317754.8000107.7P27 N28 F29 A84 G104 C109 F129 W189 T192P27-L106 HydrophobicContact CB-CD1 3.66Å; N28-L106 CarbonylContact O-C 3.37Å; N28-L106 WeakPolarHBondContact O-CD1 3.44Å; F29-L106 HydrophobicContact CD1-CB 4.04Å; F29-L106 HydrophobicContact CD1-CD1 4.14Å; F29-L106 HydrophobicContact CD2-CD1 4.14Å; F29-L106 HydrophobicContact CE1-CB 3.79Å; F29-L106 HydrophobicContact CE1-CD1 3.87Å; F29-L106 HydrophobicContact CE1-CD2 4.22Å; F29-L106 HydrophobicContact CE1-CG 4.17Å; F29-L106 HydrophobicContact CE2-CD1 3.92Å; F29-L106 HydrophobicContact CG-CD1 4.28Å; F29-L106 HydrophobicContact CZ-CB 4.46Å; F29-L106 HydrophobicContact CZ-CD1 3.78Å; F29-L106 HydrophobicContact CZ-CD2 4.15Å; F29-L106 HydrophobicContact CZ-CG 4.35Å; A84-L106 HydrophobicContact CB-CD2 3.92Å; G104-L106 CarbonylContact O-C 3.55Å; G104-L106 PolarHBondContact O-N 3.19Å; L106-C109 HydrophobicContact CD1-CB 4.28Å; L106-C109 HydrophobicContact CD2-CB 4.19Å; L106-C109 HydrophobicContact CG-CB 4.39Å; L106-F129 HydrophobicContact CD2-CZ 3.77Å; L106-W189 HydrophobicContact CB-CH2 3.84Å; L106-W189 HydrophobicContact CB-CZ2 3.61Å; L106-T192 HydrophobicContact CB-CG2 4.42Å; L106-T192 HydrophobicContact CD2-CG2 4.14Å; L106-T192 HydrophobicContact CG-CG2 3.97Å; L106-T192 WeakPolarHBondContact O-CA 3.39Å; L106-T192 WeakPolarHBondContact O-CB 3.16Å; L106-T192 WeakPolarHBondContact O-CG2 3.41Å; L106-T192 PolarHBondContact O-OG1 3.33Å
107D97.4Very high92.9Very high1 Ų123.9 Ų23.91%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-68.7-58.8-173.3-178.860000111N28 R102 T103 G104 R160 V193N28-D107 HydrophobicContact CB-CB 4.49Å; N28-D107 PolarHBondContact O-N 3.37Å; R102-D107 WeakPolarHBondContact CA-OD1 3.35Å; T103-D107 PolarHBondContact N-OD1 3.36Å; T103-D107 PolarHBondContact OG1-OD1 2.89Å; T103-D107 VanDerWaalsContact OG1-OD1 3.09Å; G104-D107 PolarHBondContact O-N 3.48Å; D107-R160 WeakPolarHBondContact OD1-CD 3.31Å; D107-R160 IonicContact OD1-NE 3.39Å; D107-R160 WeakPolarHBondContact OD2-CD 3.29Å; D107-R160 IonicContact OD2-CZ 2.67Å; D107-R160 IonicContact OD2-NE 2.98Å; D107-R160 PolarHBondContact OD2-NE 3.04Å; D107-R160 IonicContact OD2-NH1 2.73Å; D107-R160 PolarHBondContact OD2-NH1 3.42Å; D107-V193 WeakPolarHBondContact O-CB 3.29Å; D107-V193 PolarHBondContact O-N 3.4Å
108V97.3Very high92.9Very high5 Ų522.8 Ų22.83%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-140.6134.6178.366.20000112N28 Y144 L156 V193N28-V108 HydrophobicContact CB-CG1 3.92Å; N28-V108 WeakPolarHBondContact CB-O 3.37Å; N28-V108 PolarHBondContact N-O 2.96Å; N28-V108 VanDerWaalsContact ND2-CG1 3.34Å; N28-V108 WeakPolarHBondContact ND2-CG1 3.37Å; N28-V108 PolarHBondContact ND2-O 3.24Å; V108-Y144 HydrophobicContact CG2-CD1 4.2Å; V108-Y144 HydrophobicContact CG2-CE1 3.58Å; V108-L156 HydrophobicContact CB-CD1 4.15Å; V108-L156 HydrophobicContact CB-CD2 4.16Å; V108-L156 HydrophobicContact CG1-CD2 3.95Å; V108-L156 HydrophobicContact CG2-CD1 4Å; V108-L156 HydrophobicContact CG2-CD2 4.1Å; V108-V193 CarbonylContact C-O 3.59Å; V108-V193 WeakPolarHBondContact CA-O 3.4Å; V108-V193 HydrophobicContact CB-CB 4.37Å; V108-V193 HydrophobicContact CG2-CB 4.24Å; V108-V193 HydrophobicContact CG2-CG1 4.39Å
109C98.1Very high93.2Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-12586.1178.4-171.20000110.6C25 P27 L106 F129 V193 T194 G195C25-C109 VanDerWaalsContact SG-SG 3.69Å; P27-C109 HydrophobicContact CB-CB 4.43Å; L106-C109 HydrophobicContact CD1-CB 4.28Å; L106-C109 HydrophobicContact CD2-CB 4.19Å; L106-C109 HydrophobicContact CG-CB 4.39Å; C109-F129 HydrophobicContact CB-CD1 4.45Å; C109-F129 HydrophobicContact CB-CE1 3.73Å; C109-F129 HydrophobicContact CB-CZ 4.03Å; C109-V193 PolarHBondContact N-O 3.22Å; C109-T194 WeakPolarHBondContact O-CA 3.29Å; C109-T194 PolarHBondContact O-OG1 3.32Å; C109-G195 PolarHBondContact O-N 3Å
110P97.5Very high93.6Very high1 Ų125.8 Ų25.81%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-85153.2178.434.5-32.2000113.4C25 V26 I112 Y144 G195 R197C25-P110 WeakPolarHBondContact CA-O 3.29Å; V26-P110 HydrophobicContact CB-CG 3.99Å; V26-P110 PolarHBondContact N-O 3.37Å; V26-P110 WeakPolarHBondContact O-CD 3.33Å; P110-I112 HydrophobicContact CB-CD1 3.88Å; P110-I112 HydrophobicContact CG-CD1 3.98Å; P110-Y144 HydrophobicContact CB-CE1 4.37Å; P110-Y144 WeakPolarHBondContact CB-OH 3.5Å; P110-G195 CarbonylContact C-O 3.53Å; P110-G195 VanDerWaalsContact CA-O 3.29Å; P110-G195 WeakPolarHBondContact CA-O 3.49Å; P110-R197 HydrophobicContact CB-CG 4.24Å
111F97.8Very high93.9Very high0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-117.1129.2169.5-61.3-90.4000109.7V23 E24 C25 V76 V77 A80 C122 C125 A126 F129 G195 A196 R197V23-F111 HydrophobicContact CG1-CB 4.05Å; V23-F111 HydrophobicContact CG1-CD1 4.1Å; E24-F111 CarbonylContact O-C 3.44Å; E24-F111 WeakPolarHBondContact O-CA 3.45Å; C25-F111 HydrophobicContact CB-CD1 4.19Å; C25-F111 HydrophobicContact CB-CE1 4.19Å; V76-F111 HydrophobicContact CB-CE1 4.48Å; V76-F111 HydrophobicContact CG2-CD1 4Å; V76-F111 HydrophobicContact CG2-CE1 4.03Å; V77-F111 HydrophobicContact CG2-CE1 4.06Å; V77-F111 HydrophobicContact CG2-CZ 4.29Å; A80-F111 HydrophobicContact CB-CZ 4.32Å; F111-C122 HydrophobicContact CB-CB 4.19Å; F111-C125 HydrophobicContact CB-CB 4.21Å; F111-C125 HydrophobicContact CD1-CB 3.74Å; F111-C125 HydrophobicContact CD2-CB 4.26Å; F111-C125 HydrophobicContact CE1-CB 4.16Å; F111-C125 HydrophobicContact CG-CB 3.79Å; F111-A126 HydrophobicContact CD2-CB 3.94Å; F111-A126 HydrophobicContact CE2-CB 4.45Å; F111-F129 HydrophobicContact CE2-CB 3.79Å; F111-F129 HydrophobicContact CE2-CD1 4.23Å; F111-F129 HydrophobicContact CE2-CG 4.02Å; F111-F129 HydrophobicContact CZ-CB 3.7Å; F111-F129 HydrophobicContact CZ-CD1 4.5Å; F111-F129 HydrophobicContact CZ-CD2 4.29Å; F111-F129 AromaticContact CZ-CG 3.91Å; F111-F129 HydrophobicContact CZ-CG 3.91Å; F111-G195 PolarHBondContact N-O 2.97Å; F111-A196 VanDerWaalsContact O-CA 3.28Å; F111-A196 WeakPolarHBondContact O-CA 3.43Å; F111-R197 PolarHBondContact O-N 3.07Å
112I95.6Very high94.3Very high1 Ų126.4 Ų26.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-127.5132.7-171.9-59.190.5000109.3V23 E24 V26 P110 V114 R197 F199V23-I112 WeakPolarHBondContact CA-O 3.19Å; E24-I112 HydrophobicContact CB-CB 4.25Å; E24-I112 PolarHBondContact N-O 2.92Å; E24-I112 PolarHBondContact O-N 3.13Å; V26-I112 HydrophobicContact CG2-CD1 3.89Å; P110-I112 HydrophobicContact CB-CD1 3.88Å; P110-I112 HydrophobicContact CG-CD1 3.98Å; I112-V114 PolarHBondContact O-N 2.96Å; I112-R197 HydrophobicContact CG1-CG 4.16Å; I112-F199 HydrophobicContact CG2-CB 4.17Å; I112-F199 HydrophobicContact CG2-CD2 4.17Å
113P92.8Very high94.4Very high37 Ų3727.1 Ų27.124%0.2415%0.152CC..EExtended strand (participates in β ladder)trans-71.1131.1176.628.1-32.8000110.6V117 M119P113-V117 HydrophobicContact CB-CB 4.45Å; P113-V117 WeakPolarHBondContact CB-O 3.34Å; P113-M119 HydrophobicContact CG-CE 3.95Å
114V86.9Confident94.6Very high52 Ų5232.8 Ų32.832%0.31518%0.178SC..EExtended strand (participates in β ladder)trans-112.9-58.8176.4-177.90000111.1L22 E24 I112 I340L22-V114 HydrophobicContact CB-CB 4.22Å; L22-V114 HydrophobicContact CD2-CB 4.3Å; L22-V114 HydrophobicContact CD2-CG1 3.94Å; L22-V114 HydrophobicContact CG-CB 4.42Å; L22-V114 WeakPolarHBondContact O-CB 3.32Å; L22-V114 PolarHBondContact O-N 3.46Å; E24-V114 HydrophobicContact CB-CG2 3.51Å; I112-V114 PolarHBondContact O-N 2.96Å; V114-I340 HydrophobicContact CG1-CD1 4Å; V114-I340 HydrophobicContact CG1-CG1 4.49Å; V114-I340 HydrophobicContact CG2-CD1 3.78Å
115Q82.6Confident94.6Very high59 Ų5932.9 Ų32.928%0.27618%0.178SC..EExtended strand (participates in β ladder)trans-142.9126.4-173.1177.5171.2-17.400110.5L22 V117 E348L22-Q115 HydrophobicContact CB-CB 3.92Å; L22-Q115 PolarHBondContact N-O 3.43Å; L22-Q115 PolarHBondContact O-N 3.49Å; L22-Q115 VanDerWaalsContact O-N 3.15Å; Q115-V117 WeakPolarHBondContact O-CG2 3.44Å; Q115-V117 PolarHBondContact O-N 3.45Å; Q115-V117 VanDerWaalsContact O-N 3.12Å; Q115-E348 PolarHBondContact NE2-OE1 3.19Å
116N82.9Confident94.6Very high72 Ų7232.9 Ų32.939%0.38518%0.178SC..SBendtrans53.230.4178.7-55.7-49.8000114.8M19 Q21M19-N116 WeakPolarHBondContact CB-ND2 3.22Å; M19-N116 WeakPolarHBondContact CE-OD1 3.48Å; M19-N116 PolarHBondContact O-ND2 3.49Å; Q21-N116 PolarHBondContact NE2-O 3.04Å
117V89.8Confident94.6Very high20 Ų2035.1 Ų35.112%0.12119%0.19CC..  trans-130.9136.1179.1-179.80000109.2Q21 V23 P73 P113 Q115 D121Q21-V117 HydrophobicContact CB-CG2 3.59Å; Q21-V117 HydrophobicContact CG-CG2 4.1Å; V23-V117 HydrophobicContact CG2-CB 4.26Å; V23-V117 HydrophobicContact CG2-CG1 3.72Å; V23-V117 HydrophobicContact CG2-CG2 3.98Å; P73-V117 HydrophobicContact CG-CG2 4.47Å; P113-V117 HydrophobicContact CB-CB 4.45Å; P113-V117 WeakPolarHBondContact CB-O 3.34Å; Q115-V117 WeakPolarHBondContact O-CG2 3.44Å; Q115-V117 PolarHBondContact O-N 3.45Å; Q115-V117 VanDerWaalsContact O-N 3.12Å; V117-D121 HydrophobicContact CG1-CB 3.47Å; V117-D121 VanDerWaalsContact CG1-CB 3.47Å
118S93.6Very high94.7Very high50 Ų5037.7 Ų37.735%0.3520%0.202SC..  trans-87.2167.9177.471.70000112D120 D121 C122S118-D120 PolarHBondContact O-N 3.05Å; S118-D120 PolarHBondContact OG-N 2.96Å; S118-D121 WeakPolarHBondContact CB-OD2 3.47Å; S118-D121 PolarHBondContact N-OD2 3.07Å; S118-D121 PolarHBondContact O-N 3.18Å; S118-D121 PolarHBondContact OG-N 2.82Å; S118-D121 PolarHBondContact OG-OD2 3.33Å; S118-C122 PolarHBondContact O-N 3.29Å; S118-C122 PolarHBondContact O-SG 2.93Å
119M95Very high94.8Very high49 Ų4937.5 Ų37.524%0.24120%0.201CC..Hα-helixtrans-62.8-35.8171-171.556.765.600111.5P113 D121 C122 V123 E146 A196 K198P113-M119 HydrophobicContact CG-CE 3.95Å; M119-D121 VanDerWaalsContact C-N 3.34Å; M119-D121 PolarHBondContact O-N 3.34Å; M119-C122 WeakPolarHBondContact O-CB 3.43Å; M119-C122 PolarHBondContact O-N 2.92Å; M119-C122 VanDerWaalsContact O-N 3.11Å; M119-V123 WeakPolarHBondContact O-CG2 3.48Å; M119-V123 PolarHBondContact O-N 3.36Å; M119-E146 HydrophobicContact CE-CG 4.49Å; M119-E146 HydrophobicContact CG-CB 4.01Å; M119-E146 HydrophobicContact CG-CG 3.95Å; M119-E146 HydrophobicContact SD-CB 4.07Å; M119-E146 HydrophobicContact SD-CG 3.9Å; M119-A196 HydrophobicContact SD-CB 3.84Å; M119-K198 HydrophobicContact CE-CG 4.3Å
120D96.1Very high94.8Very high129 Ų12937.5 Ų37.569%0.6920%0.201SC*.Hα-helixtrans-65.1-38.2-179.4-68.2-22.1000111.8S118 C122 V123 H124S118-D120 PolarHBondContact O-N 3.05Å; S118-D120 PolarHBondContact OG-N 2.96Å; D120-C122 VanDerWaalsContact C-N 3.31Å; D120-C122 PolarHBondContact O-N 3.36Å; D120-V123 PolarHBondContact O-N 3.14Å; D120-H124 PolarHBondContact O-N 2.87Å
121D95.8Very high94.8Very high61 Ų6144.2 Ų44.233%0.32623%0.226SC..Hα-helixtrans-62.1-39.5172.9-61-45.7000111.4V117 S118 M119 H124 C125V117-D121 HydrophobicContact CG1-CB 3.47Å; V117-D121 VanDerWaalsContact CG1-CB 3.47Å; S118-D121 WeakPolarHBondContact CB-OD2 3.47Å; S118-D121 PolarHBondContact N-OD2 3.07Å; S118-D121 PolarHBondContact O-N 3.18Å; S118-D121 PolarHBondContact OG-N 2.82Å; S118-D121 PolarHBondContact OG-OD2 3.33Å; M119-D121 VanDerWaalsContact C-N 3.34Å; M119-D121 PolarHBondContact O-N 3.34Å; D121-H124 WeakPolarHBondContact O-CB 3.3Å; D121-H124 PolarHBondContact O-N 3.15Å; D121-C125 PolarHBondContact O-N 2.81Å; D121-C125 PolarHBondContact O-SG 3.18Å
122C97.8Very high94.8Very high0 Ų046.9 Ų46.90%024%0.239CC..Hα-helixtrans-69.6-37.1176.4-640000111.8F111 S118 M119 D120 H124 C125 A126 A196F111-C122 HydrophobicContact CB-CB 4.19Å; S118-C122 PolarHBondContact O-N 3.29Å; S118-C122 PolarHBondContact O-SG 2.93Å; M119-C122 WeakPolarHBondContact O-CB 3.43Å; M119-C122 PolarHBondContact O-N 2.92Å; M119-C122 VanDerWaalsContact O-N 3.11Å; D120-C122 VanDerWaalsContact C-N 3.31Å; D120-C122 PolarHBondContact O-N 3.36Å; C122-H124 VanDerWaalsContact C-N 3.28Å; C122-H124 PolarHBondContact O-N 3.01Å; C122-C125 WeakPolarHBondContact O-CB 3.47Å; C122-C125 PolarHBondContact O-N 3.08Å; C122-A126 PolarHBondContact O-N 3.44Å; C122-A196 HydrophobicContact CB-CB 3.74Å
123V98Very high95Very high29 Ų2947 Ų4718%0.17624%0.239CC..Hα-helixtrans-62.6-39.3172.2170.40000110.1M119 D120 A126 N127 E146 A147 A196M119-V123 WeakPolarHBondContact O-CG2 3.48Å; M119-V123 PolarHBondContact O-N 3.36Å; D120-V123 PolarHBondContact O-N 3.14Å; V123-A126 PolarHBondContact O-N 3.28Å; V123-N127 PolarHBondContact O-N 3.06Å; V123-N127 PolarHBondContact O-ND2 3.13Å; V123-E146 HydrophobicContact CG2-CB 4.03Å; V123-A147 HydrophobicContact CG1-CB 4.15Å; V123-A147 HydrophobicContact CG2-CB 4.39Å; V123-A196 HydrophobicContact CB-CB 4.4Å; V123-A196 HydrophobicContact CG2-CB 3.67Å
124H97.9Very high95.2Very high123 Ų12345.4 Ų45.457%0.56923%0.229SC*.Hα-helixtrans-60.7-47.6173.2-173.677.5000111.6D120 D121 C122 A126 N127 Q128D120-H124 PolarHBondContact O-N 2.87Å; D121-H124 WeakPolarHBondContact O-CB 3.3Å; D121-H124 PolarHBondContact O-N 3.15Å; C122-H124 VanDerWaalsContact C-N 3.28Å; C122-H124 PolarHBondContact O-N 3.01Å; H124-A126 VanDerWaalsContact C-N 3.33Å; H124-A126 PolarHBondContact O-N 2.65Å; H124-N127 PolarHBondContact O-N 3.16Å; H124-Q128 WeakPolarHBondContact O-CB 3.44Å; H124-Q128 PolarHBondContact O-N 2.68Å
125C98.2Very high95.7Very high1 Ų147.9 Ų47.91%0.00724%0.238CC..Hα-helixtrans-56-46.5175.3-64.20000111.9V77 F111 D121 C122 N127 Q128 F129V77-C125 HydrophobicContact CG2-CB 3.76Å; F111-C125 HydrophobicContact CB-CB 4.21Å; F111-C125 HydrophobicContact CD1-CB 3.74Å; F111-C125 HydrophobicContact CD2-CB 4.26Å; F111-C125 HydrophobicContact CE1-CB 4.16Å; F111-C125 HydrophobicContact CG-CB 3.79Å; D121-C125 PolarHBondContact O-N 2.81Å; D121-C125 PolarHBondContact O-SG 3.18Å; C122-C125 WeakPolarHBondContact O-CB 3.47Å; C122-C125 PolarHBondContact O-N 3.08Å; C125-N127 PolarHBondContact O-N 2.71Å; C125-Q128 PolarHBondContact O-N 2.69Å; C125-F129 WeakPolarHBondContact O-CB 3.42Å; C125-F129 PolarHBondContact O-N 2.78Å
126A98.4Very high96.3Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-61.5-42.8179.300000112.7F111 C122 V123 H124 G130 A147 T194F111-A126 HydrophobicContact CD2-CB 3.94Å; F111-A126 HydrophobicContact CE2-CB 4.45Å; C122-A126 PolarHBondContact O-N 3.44Å; V123-A126 PolarHBondContact O-N 3.28Å; H124-A126 VanDerWaalsContact C-N 3.33Å; H124-A126 PolarHBondContact O-N 2.65Å; A126-G130 PolarHBondContact O-N 3.25Å; A126-A147 HydrophobicContact CB-CB 4.1Å; A126-T194 WeakPolarHBondContact O-CG2 3.27Å
127N98.4Very high96.9Very high47 Ų4745.6 Ų45.625%0.25123%0.23SC..Hα-helixtrans-65-44.2176.1-82.5-82.6000111.8V123 H124 C125 G130 R131 L143 F180V123-N127 PolarHBondContact O-N 3.06Å; V123-N127 PolarHBondContact O-ND2 3.13Å; H124-N127 PolarHBondContact O-N 3.16Å; C125-N127 PolarHBondContact O-N 2.71Å; N127-G130 PolarHBondContact O-N 3.47Å; N127-R131 WeakPolarHBondContact O-CB 3.44Å; N127-R131 PolarHBondContact O-N 3.31Å; N127-L143 WeakPolarHBondContact OD1-CD1 3.5Å; N127-F180 HydrophobicContact CB-CZ 4.46Å
128Q98.4Very high97.3Very high56 Ų5650.5 Ų50.526%0.26225%0.251SS..Hα-helixtrans-63.1-49.3178.8-173.9-178.5-7.800111.2V77 H124 C125 Q132V77-Q128 HydrophobicContact CG1-CB 4.49Å; V77-Q128 HydrophobicContact CG1-CG 4.09Å; H124-Q128 WeakPolarHBondContact O-CB 3.44Å; H124-Q128 PolarHBondContact O-N 2.68Å; C125-Q128 PolarHBondContact O-N 2.69Å; Q128-Q132 WeakPolarHBondContact O-CB 3.45Å; Q128-Q132 WeakPolarHBondContact O-CG 3.07Å; Q128-Q132 PolarHBondContact O-N 3.28Å
129F98.7Very high97.4Very high0 Ų048.1 Ų48.10%023%0.234CC..Hα-helixtrans-57.4-51.3175172-97.8000111.4V77 A80 L81 L106 C109 F111 C125 R131 Q132 L133 T192 T194V77-F129 HydrophobicContact CG1-CB 4.2Å; A80-F129 HydrophobicContact CB-CD2 3.63Å; A80-F129 HydrophobicContact CB-CE2 3.48Å; A80-F129 VanDerWaalsContact CB-CE2 3.48Å; A80-F129 HydrophobicContact CB-CZ 4.35Å; L81-F129 HydrophobicContact CD2-CD2 3.84Å; L81-F129 HydrophobicContact CD2-CE2 3.9Å; L81-F129 HydrophobicContact CG-CD2 3.84Å; L81-F129 HydrophobicContact CG-CE2 4.1Å; L106-F129 HydrophobicContact CD2-CZ 3.77Å; C109-F129 HydrophobicContact CB-CD1 4.45Å; C109-F129 HydrophobicContact CB-CE1 3.73Å; C109-F129 HydrophobicContact CB-CZ 4.03Å; F111-F129 HydrophobicContact CE2-CB 3.79Å; F111-F129 HydrophobicContact CE2-CD1 4.23Å; F111-F129 HydrophobicContact CE2-CG 4.02Å; F111-F129 HydrophobicContact CZ-CB 3.7Å; F111-F129 HydrophobicContact CZ-CD1 4.5Å; F111-F129 HydrophobicContact CZ-CD2 4.29Å; F111-F129 AromaticContact CZ-CG 3.91Å; F111-F129 HydrophobicContact CZ-CG 3.91Å; C125-F129 WeakPolarHBondContact O-CB 3.42Å; C125-F129 PolarHBondContact O-N 2.78Å; F129-R131 PolarHBondContact O-N 3.31Å; F129-Q132 PolarHBondContact O-N 3.33Å; F129-L133 HydrophobicContact CE1-CB 4.48Å; F129-L133 HydrophobicContact CE1-CD2 3.81Å; F129-L133 HydrophobicContact CE2-CD1 4.45Å; F129-L133 HydrophobicContact CZ-CB 4.34Å; F129-L133 HydrophobicContact CZ-CD1 4.21Å; F129-L133 HydrophobicContact CZ-CD2 3.73Å; F129-L133 HydrophobicContact CZ-CG 4.32Å; F129-L133 WeakPolarHBondContact O-CB 3.49Å; F129-L133 PolarHBondContact O-N 3.09Å; F129-T192 HydrophobicContact CE1-CG2 4.4Å; F129-T194 HydrophobicContact CD1-CG2 4.05Å; F129-T194 WeakPolarHBondContact CD1-OG1 3.41Å
130G98.3Very high97.6Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-60.9-43.2-175.900000112.9A126 N127 A134A126-G130 PolarHBondContact O-N 3.25Å; N127-G130 PolarHBondContact O-N 3.47Å; G130-A134 VanDerWaalsContact O-CB 3.31Å; G130-A134 WeakPolarHBondContact O-CB 3.48Å; G130-A134 PolarHBondContact O-N 3.07Å; G130-A134 VanDerWaalsContact O-N 3.15Å
131R98.4Very high97.7Very high143 Ų14339.6 Ų39.654%0.5419%0.19SC..Hα-helixtrans-62.5-52.9175177.9-179156.8-169.8-11.5111.7N127 F129 L133 A134 E135 F180N127-R131 WeakPolarHBondContact O-CB 3.44Å; N127-R131 PolarHBondContact O-N 3.31Å; F129-R131 PolarHBondContact O-N 3.31Å; R131-L133 VanDerWaalsContact C-N 3.35Å; R131-L133 PolarHBondContact O-N 3.23Å; R131-A134 PolarHBondContact O-N 3.4Å; R131-E135 HydrophobicContact CG-CG 4.48Å; R131-E135 VanDerWaalsContact CG-OE1 3.31Å; R131-E135 WeakPolarHBondContact CG-OE1 3.26Å; R131-E135 IonicContact CZ-OE1 3.86Å; R131-E135 IonicContact NE-OE1 3.33Å; R131-E135 PolarHBondContact NE-OE1 3.32Å; R131-E135 IonicContact NH2-OE1 2.84Å; R131-E135 WeakPolarHBondContact O-CB 3.19Å; R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.04Å; R131-F180 HydrophobicContact CB-CD1 3.98Å; R131-F180 HydrophobicContact CB-CE1 3.93Å; R131-F180 HydrophobicContact CB-CG 4.45Å; R131-F180 HydrophobicContact CB-CZ 4.35Å
132Q98.3Very high97.8Very high56 Ų5637 Ų3726%0.26218%0.175SC..Hα-helixtrans-66.9-36-175.7-69.8-1748.800112.4L81 Q128 F129 E135 T136L81-Q132 HydrophobicContact CD1-CB 3.83Å; L81-Q132 HydrophobicContact CD2-CB 4.03Å; Q128-Q132 WeakPolarHBondContact O-CB 3.45Å; Q128-Q132 WeakPolarHBondContact O-CG 3.07Å; Q128-Q132 PolarHBondContact O-N 3.28Å; F129-Q132 PolarHBondContact O-N 3.33Å; Q132-E135 PolarHBondContact O-N 3.45Å; Q132-T136 VanDerWaalsContact O-CB 3.3Å; Q132-T136 WeakPolarHBondContact O-CB 3.32Å; Q132-T136 PolarHBondContact O-N 2.77Å; Q132-T136 PolarHBondContact O-OG1 3.24Å
133L98.3Very high97.8Very high2 Ų237 Ų371%0.0118%0.175CC..Hα-helixtrans-62.2-49.4175.5-176.673.9000110.7L81 A84 F129 R131 E135 T136 L137 V139 V141 T192L81-L133 HydrophobicContact CD2-CB 3.89Å; L81-L133 HydrophobicContact CD2-CD1 4.23Å; A84-L133 HydrophobicContact CB-CD1 3.45Å; A84-L133 VanDerWaalsContact CB-CD1 3.45Å; F129-L133 HydrophobicContact CE1-CB 4.48Å; F129-L133 HydrophobicContact CE1-CD2 3.81Å; F129-L133 HydrophobicContact CE2-CD1 4.45Å; F129-L133 HydrophobicContact CZ-CB 4.34Å; F129-L133 HydrophobicContact CZ-CD1 4.21Å; F129-L133 HydrophobicContact CZ-CD2 3.73Å; F129-L133 HydrophobicContact CZ-CG 4.32Å; F129-L133 WeakPolarHBondContact O-CB 3.49Å; F129-L133 PolarHBondContact O-N 3.09Å; R131-L133 VanDerWaalsContact C-N 3.35Å; R131-L133 PolarHBondContact O-N 3.23Å; L133-E135 PolarHBondContact O-N 2.65Å; L133-T136 PolarHBondContact O-N 3.03Å; L133-L137 HydrophobicContact CD1-CD1 3.49Å; L133-L137 VanDerWaalsContact CD1-CD1 3.49Å; L133-L137 HydrophobicContact CD1-CG 4.17Å; L133-L137 HydrophobicContact CG-CD1 4.3Å; L133-L137 PolarHBondContact O-N 3.46Å; L133-V139 HydrophobicContact CG-CG2 4.47Å; L133-V141 HydrophobicContact CD2-CG2 3.96Å; L133-V141 HydrophobicContact CG-CG2 4.48Å; L133-T192 HydrophobicContact CD2-CG2 3.7Å
134A97.8Very high97.7Very high4 Ų436.3 Ų36.33%0.03317%0.169CC..Hα-helixtrans-63-40.6178.900000112.6G130 R131 T136 H138 V141 F180G130-A134 VanDerWaalsContact O-CB 3.31Å; G130-A134 WeakPolarHBondContact O-CB 3.48Å; G130-A134 PolarHBondContact O-N 3.07Å; G130-A134 VanDerWaalsContact O-N 3.15Å; R131-A134 PolarHBondContact O-N 3.4Å; A134-T136 VanDerWaalsContact C-N 3.34Å; A134-H138 VanDerWaalsContact O-CA 3.23Å; A134-H138 WeakPolarHBondContact O-CA 3.27Å; A134-H138 PolarHBondContact O-N 3.3Å; A134-V141 HydrophobicContact CB-CG2 3.98Å; A134-F180 HydrophobicContact CB-CB 3.81Å
135E96.9Very high97.6Very high105 Ų10530.9 Ų30.949%0.49115%0.147SC..Hα-helixtrans-64.3-38175-74.7172-177.200112R131 Q132 L133 H138R131-E135 HydrophobicContact CG-CG 4.48Å; R131-E135 VanDerWaalsContact CG-OE1 3.31Å; R131-E135 WeakPolarHBondContact CG-OE1 3.26Å; R131-E135 IonicContact CZ-OE1 3.86Å; R131-E135 IonicContact NE-OE1 3.33Å; R131-E135 PolarHBondContact NE-OE1 3.32Å; R131-E135 IonicContact NH2-OE1 2.84Å; R131-E135 WeakPolarHBondContact O-CB 3.19Å; R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.04Å; Q132-E135 PolarHBondContact O-N 3.45Å; L133-E135 PolarHBondContact O-N 2.65Å; E135-H138 PolarHBondContact O-CE1 2.98Å; E135-H138 VanDerWaalsContact O-CE1 3.27Å
136T95.1Very high97.5Very high63 Ų6335.1 Ų35.139%0.38717%0.167SC..Hα-helixtrans-81.6-43-175.1-54.60000113R85 Q132 L133 A134R85-T136 HydrophobicContact CG-CG2 4.34Å; Q132-T136 VanDerWaalsContact O-CB 3.3Å; Q132-T136 WeakPolarHBondContact O-CB 3.32Å; Q132-T136 PolarHBondContact O-N 2.77Å; Q132-T136 PolarHBondContact O-OG1 3.24Å; L133-T136 PolarHBondContact O-N 3.03Å; A134-T136 VanDerWaalsContact C-N 3.34Å
137L96.1Very high97.4Very high20 Ų2035.5 Ų35.511%0.10517%0.17CC..Hα-helixtrans-103.9-9.3-172.2-56.8-176000113.3A84 R85 F88 L133 V139 W189A84-L137 HydrophobicContact CB-CD1 4.45Å; R85-L137 HydrophobicContact CG-CD2 4.48Å; F88-L137 HydrophobicContact CB-CD1 4.24Å; F88-L137 HydrophobicContact CB-CD2 4.18Å; F88-L137 HydrophobicContact CD1-CD2 4.31Å; F88-L137 HydrophobicContact CD2-CB 4.18Å; F88-L137 HydrophobicContact CD2-CD1 3.85Å; F88-L137 HydrophobicContact CD2-CD2 4.1Å; F88-L137 HydrophobicContact CD2-CG 4.27Å; F88-L137 HydrophobicContact CE2-CB 4.14Å; F88-L137 HydrophobicContact CG-CD1 4.26Å; F88-L137 HydrophobicContact CG-CD2 3.94Å; L133-L137 HydrophobicContact CD1-CD1 3.49Å; L133-L137 VanDerWaalsContact CD1-CD1 3.49Å; L133-L137 HydrophobicContact CD1-CG 4.17Å; L133-L137 HydrophobicContact CG-CD1 4.3Å; L133-L137 PolarHBondContact O-N 3.46Å; L137-V139 VanDerWaalsContact C-N 3.31Å; L137-V139 HydrophobicContact CB-CG1 4.03Å; L137-V139 HydrophobicContact CB-CG2 4.05Å; L137-V139 PolarHBondContact O-N 3.41Å; L137-W189 HydrophobicContact CD1-CH2 4.1Å; L137-W189 HydrophobicContact CD1-CZ2 4.07Å
138H96.9Very high97.2Very high122 Ų12234.2 Ų34.257%0.56517%0.166SC*.  trans55.941.6-176.7-57.1-51.1000113.8A134 E135 P182A134-H138 VanDerWaalsContact O-CA 3.23Å; A134-H138 WeakPolarHBondContact O-CA 3.27Å; A134-H138 PolarHBondContact O-N 3.3Å; E135-H138 PolarHBondContact O-CE1 2.98Å; E135-H138 VanDerWaalsContact O-CE1 3.27Å; H138-P182 WeakPolarHBondContact O-CG 3.43Å
139V97.3Very high97Very high0 Ų038.7 Ų38.70%018%0.18CC..  trans-111153.8-178.8-63.20000111.6F88 L133 L137 V141 V186 W189F88-V139 HydrophobicContact CE2-CG1 4Å; L133-V139 HydrophobicContact CG-CG2 4.47Å; L137-V139 VanDerWaalsContact C-N 3.31Å; L137-V139 HydrophobicContact CB-CG1 4.03Å; L137-V139 HydrophobicContact CB-CG2 4.05Å; L137-V139 PolarHBondContact O-N 3.41Å; V139-V141 HydrophobicContact CG2-CG2 4.16Å; V139-V186 HydrophobicContact CG1-CB 4.38Å; V139-V186 HydrophobicContact CG1-CG2 4.14Å; V139-W189 HydrophobicContact CB-CG 4.43Å; V139-W189 HydrophobicContact CG1-CB 4.11Å; V139-W189 VanDerWaalsContact CG1-CD1 3.44Å; V139-W189 HydrophobicContact CG1-CD2 4.44Å; V139-W189 HydrophobicContact CG1-CG 3.72Å
140P97.8Very high96.6Very high0 Ų040.7 Ų40.70%019%0.194CC..  trans-72129.6173.927.6-32.5000110.9L171 P178 L184 A191 T192P140-L171 HydrophobicContact CB-CD2 3.8Å; P140-L171 HydrophobicContact CG-CD1 4.12Å; P140-L171 HydrophobicContact CG-CD2 4.07Å; P140-P178 HydrophobicContact CB-CB 3.9Å; P140-P178 HydrophobicContact CB-CG 4.08Å; P140-L184 WeakPolarHBondContact CD-O 3.24Å; P140-A191 HydrophobicContact CB-CB 4.49Å; P140-A191 HydrophobicContact CG-CB 3.9Å; P140-T192 PolarHBondContact O-N 3.28Å; P140-T192 VanDerWaalsContact O-N 3.14Å
141V98.3Very high96.2Very high0 Ų047.4 Ų47.40%023%0.226CC..EExtended strand (participates in β ladder)trans-125.7131.9179.1-174.90000111L133 A134 V139 D179 F180 T192 T194L133-V141 HydrophobicContact CD2-CG2 3.96Å; L133-V141 HydrophobicContact CG-CG2 4.48Å; A134-V141 HydrophobicContact CB-CG2 3.98Å; V139-V141 HydrophobicContact CG2-CG2 4.16Å; V141-D179 PolarHBondContact O-N 2.79Å; V141-F180 HydrophobicContact CB-CB 4.29Å; V141-F180 PolarHBondContact N-O 3.01Å; V141-F180 PolarHBondContact O-N 3.2Å; V141-F180 VanDerWaalsContact O-N 3.11Å; V141-T192 CarbonylContact C-O 3.52Å; V141-T192 VanDerWaalsContact CA-O 3.26Å; V141-T192 WeakPolarHBondContact CA-O 3.41Å; V141-T194 HydrophobicContact CG1-CG2 3.79Å
142Y98Very high95.7Very high6 Ų644.4 Ų44.42%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-111.4143.3178.2-63.1-85.5000111.6V159 L171 W176 P178 A191 T192 V193 T194Y142-V159 HydrophobicContact CD2-CG1 4.42Å; Y142-V159 HydrophobicContact CG-CG1 4.12Å; Y142-L171 VanDerWaalsContact OH-CD2 3.27Å; Y142-L171 WeakPolarHBondContact OH-CD2 3.42Å; Y142-W176 HydrophobicContact CE1-CE3 4.49Å; Y142-W176 VanDerWaalsContact CE1-O 3.3Å; Y142-W176 WeakPolarHBondContact CE1-O 3.17Å; Y142-W176 PolarHBondContact OH-O 3.4Å; Y142-P178 HydrophobicContact CE1-CB 4.13Å; Y142-P178 HydrophobicContact CE2-CB 4.47Å; Y142-A191 HydrophobicContact CD2-CB 4.39Å; Y142-A191 HydrophobicContact CE2-CB 4.08Å; Y142-T192 PolarHBondContact N-O 3.3Å; Y142-V193 CarbonylContact O-C 3.36Å; Y142-V193 WeakPolarHBondContact O-CA 3.24Å; Y142-T194 PolarHBondContact O-N 3.43Å
143L97.9Very high95.4Very high0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-92.8133.5171.8-69.4172.5000111.2N127 A147 R149 D179 F180 T194N127-L143 WeakPolarHBondContact OD1-CD1 3.5Å; L143-A147 WeakPolarHBondContact CB-O 3.46Å; L143-A147 HydrophobicContact CD2-CB 4.13Å; L143-R149 HydrophobicContact CD1-CG 4.32Å; L143-D179 HydrophobicContact CB-CB 4.35Å; L143-D179 HydrophobicContact CD1-CB 4.16Å; L143-D179 HydrophobicContact CG-CB 4.02Å; L143-D179 PolarHBondContact N-OD2 3.24Å; L143-F180 HydrophobicContact CD1-CE2 3.71Å; L143-F180 HydrophobicContact CD1-CZ 4.26Å; L143-F180 HydrophobicContact CD2-CE2 4.05Å; L143-F180 HydrophobicContact CG-CD2 4.43Å; L143-F180 HydrophobicContact CG-CE2 3.93Å; L143-T194 CarbonylContact C-O 3.57Å; L143-T194 VanDerWaalsContact CA-O 3.26Å; L143-T194 WeakPolarHBondContact CA-O 3.36Å; L143-T194 HydrophobicContact CD2-CG2 3.67Å
144Y96.9Very high95Very high14 Ų1447.6 Ų47.66%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-129.7175.6176.796.9-66.9000112.8V108 P110 A147 A148 R153 L156 V193 T194 G195 R197V108-Y144 HydrophobicContact CG2-CD1 4.2Å; V108-Y144 HydrophobicContact CG2-CE1 3.58Å; P110-Y144 HydrophobicContact CB-CE1 4.37Å; P110-Y144 WeakPolarHBondContact CB-OH 3.5Å; Y144-A147 PolarHBondContact O-N 3.25Å; Y144-A148 PolarHBondContact O-N 3.29Å; Y144-R153 WeakPolarHBondContact CA-O 3.45Å; Y144-R153 WeakPolarHBondContact CB-O 3.45Å; Y144-L156 HydrophobicContact CD2-CB 3.7Å; Y144-L156 HydrophobicContact CD2-CD1 4.43Å; Y144-L156 HydrophobicContact CE2-CB 3.86Å; Y144-V193 HydrophobicContact CD1-CG1 3.64Å; Y144-V193 HydrophobicContact CG-CG1 3.79Å; Y144-T194 WeakPolarHBondContact CD1-O 3.26Å; Y144-T194 PolarHBondContact N-O 3.45Å; Y144-G195 WeakPolarHBondContact O-CA 3.37Å; Y144-R197 VanDerWaalsContact OH-CD 3.26Å; Y144-R197 WeakPolarHBondContact OH-CD 3.4Å; Y144-R197 PolarHBondContact OH-NE 2.83Å
145G94.6Very high94.6Very high10 Ų1050.1 Ų50.110%0.10325%0.249CC..EExtended strand (participates in β ladder)trans63.8-138.7177.300000111.6A147 A148 R154G145-A147 PolarHBondContact O-N 3.09Å; G145-A148 VanDerWaalsContact O-CB 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.33Å; G145-A148 PolarHBondContact O-N 3.17Å; G145-A148 VanDerWaalsContact O-N 3.14Å; G145-R154 WeakPolarHBondContact CA-O 2.96Å; G145-R154 PolarHBondContact N-O 3.19Å
146E96.3Very high94.3Very high90 Ų9046.3 Ų46.342%0.42123%0.232SC..THydrogen-bonded Turntrans-68.4-13.8178.9-59.9-57.2151.200112.9M119 V123 R154 A196M119-E146 HydrophobicContact CE-CG 4.49Å; M119-E146 HydrophobicContact CG-CB 4.01Å; M119-E146 HydrophobicContact CG-CG 3.95Å; M119-E146 HydrophobicContact SD-CB 4.07Å; M119-E146 HydrophobicContact SD-CG 3.9Å; V123-E146 HydrophobicContact CG2-CB 4.03Å; E146-R154 IonicContact OE1-NH2 3.63Å; E146-R154 IonicContact OE2-CZ 3.57Å; E146-R154 IonicContact OE2-NH2 2.81Å; E146-R154 PolarHBondContact OE2-NH2 3.42Å; E146-A196 HydrophobicContact CB-CB 4.46Å; E146-A196 PolarHBondContact N-O 2.87Å
147A96.6Very high94Very high7 Ų746 Ų466%0.05823%0.231CC..THydrogen-bonded Turntrans-91.9-6.6175.300000113.6V123 A126 L143 Y144 G145 R149V123-A147 HydrophobicContact CG1-CB 4.15Å; V123-A147 HydrophobicContact CG2-CB 4.39Å; A126-A147 HydrophobicContact CB-CB 4.1Å; L143-A147 WeakPolarHBondContact CB-O 3.46Å; L143-A147 HydrophobicContact CD2-CB 4.13Å; Y144-A147 PolarHBondContact O-N 3.25Å; G145-A147 PolarHBondContact O-N 3.09Å; A147-R149 PolarHBondContact O-N 2.85Å
148A95.6Very high93.6Very high21 Ų2147.5 Ų47.517%0.17424%0.243CC..  trans-62.9133.4-176.900000111.7Y144 G145 S150 R153 R154Y144-A148 PolarHBondContact O-N 3.29Å; G145-A148 VanDerWaalsContact O-CB 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.33Å; G145-A148 PolarHBondContact O-N 3.17Å; G145-A148 VanDerWaalsContact O-N 3.14Å; A148-S150 VanDerWaalsContact C-N 3.3Å; A148-R153 HydrophobicContact CB-CB 4.22Å; A148-R154 HydrophobicContact CB-CB 4.46Å; A148-R154 HydrophobicContact CB-CG 3.85Å
149R93.3Very high93.3Very high149 Ų14941.9 Ų41.956%0.56222%0.218SC*.SBendtrans-79.8-12.4176.4-63.6-174.2-178.4152.34.3114L143 A147 D179 F180L143-R149 HydrophobicContact CD1-CG 4.32Å; A147-R149 PolarHBondContact O-N 2.85Å; R149-D179 WeakPolarHBondContact CD-OD1 3.47Å; R149-D179 PolarHBondContact NH1-O 2.86Å; R149-D179 VanDerWaalsContact NH1-O 3.1Å; R149-D179 IonicContact NH1-OD1 3.52Å; R149-F180 VanDerWaalsContact NH2-CZ 3.27Å
150S91.1Very high93Very high42 Ų4243.1 Ų43.129%0.29422%0.222SC..SBendtrans-141.6148.1179.955.80000110.3A148 S152 R153 R154A148-S150 VanDerWaalsContact C-N 3.3Å; S150-S152 PolarHBondContact O-N 3.31Å; S150-S152 PolarHBondContact OG-OG 2.88Å; S150-R153 PolarHBondContact O-N 2.87Å; S150-R153 VanDerWaalsContact O-N 3.07Å; S150-R153 WeakPolarHBondContact OG-CG 3.41Å; S150-R154 PolarHBondContact O-N 3.36Å
151E89.1Confident92.5Very high142 Ų14246.7 Ų46.766%0.66425%0.247SC*.G310 helixtrans-60.9-33.6-178.6-167.560-152.300112.1R153 R154E151-R153 PolarHBondContact O-N 3.36Å; E151-R154 PolarHBondContact O-N 3.39Å; E151-R154 WeakPolarHBondContact OE1-CD 3.46Å; E151-R154 WeakPolarHBondContact OE2-CD 3.42Å; E151-R154 IonicContact OE2-NE 3.68Å
152S88.1Confident92.1Very high79 Ų7948.7 Ų48.755%0.55227%0.268SS*.G310 helixtrans-62.7-24.617855.70000113.5S150 S158S150-S152 PolarHBondContact O-N 3.31Å; S150-S152 PolarHBondContact OG-OG 2.88Å; S152-S158 WeakPolarHBondContact O-CB 3.48Å
153R91Very high91.9Very high21 Ų2151.4 Ų51.48%0.07928%0.281CS..G310 helixtrans-98.8-4.3-179.3-63-177.2-172.9-173.2-0.4113.8Y144 A148 S150 E151 N155 V159 E175 A177 D179Y144-R153 WeakPolarHBondContact CA-O 3.45Å; Y144-R153 WeakPolarHBondContact CB-O 3.45Å; A148-R153 HydrophobicContact CB-CB 4.22Å; S150-R153 PolarHBondContact O-N 2.87Å; S150-R153 VanDerWaalsContact O-N 3.07Å; S150-R153 WeakPolarHBondContact OG-CG 3.41Å; E151-R153 PolarHBondContact O-N 3.36Å; R153-N155 VanDerWaalsContact C-N 3.26Å; R153-N155 PolarHBondContact O-N 2.86Å; R153-V159 HydrophobicContact CB-CG2 4.02Å; R153-V159 HydrophobicContact CG-CG2 4.34Å; R153-V159 WeakPolarHBondContact O-CG2 3.27Å; R153-E175 PolarHBondContact NH2-O 3.15Å; R153-A177 PolarHBondContact NH1-O 3.3Å; R153-A177 PolarHBondContact NH2-O 2.87Å; R153-D179 IonicContact CZ-OD2 3.94Å; R153-D179 IonicContact NH1-OD1 3.64Å; R153-D179 PolarHBondContact NH1-OD1 3.28Å; R153-D179 IonicContact NH1-OD2 3.93Å; R153-D179 PolarHBondContact NH1-OD2 3.41Å
154R91.1Very high91.8Very high105 Ų10552.5 Ų52.540%0.39629%0.285SS..SBendtrans-58.3-39.9177-86.4-166.3156.9-145.5-16.7112.4G145 E146 A148 S150 E151G145-R154 WeakPolarHBondContact CA-O 2.96Å; G145-R154 PolarHBondContact N-O 3.19Å; E146-R154 IonicContact OE1-NH2 3.63Å; E146-R154 IonicContact OE2-CZ 3.57Å; E146-R154 IonicContact OE2-NH2 2.81Å; E146-R154 PolarHBondContact OE2-NH2 3.42Å; A148-R154 HydrophobicContact CB-CB 4.46Å; A148-R154 HydrophobicContact CB-CG 3.85Å; S150-R154 PolarHBondContact O-N 3.36Å; E151-R154 PolarHBondContact O-N 3.39Å; E151-R154 WeakPolarHBondContact OE1-CD 3.46Å; E151-R154 WeakPolarHBondContact OE2-CD 3.42Å; E151-R154 IonicContact OE2-NE 3.68Å
155N88.7Confident91.7Very high57 Ų5757.2 Ų57.231%0.30531%0.308SS..SBendtrans-89.4120.1-177.2-169.3-1.1000111.5R153 P157 S158 V159 Q238R153-N155 VanDerWaalsContact C-N 3.26Å; R153-N155 PolarHBondContact O-N 2.86Å; N155-P157 WeakPolarHBondContact OD1-CD 3.28Å; N155-P157 WeakPolarHBondContact OD1-CG 3.43Å; N155-S158 VanDerWaalsContact O-CB 3.29Å; N155-S158 WeakPolarHBondContact O-CB 3.47Å; N155-S158 PolarHBondContact O-N 3.43Å; N155-V159 PolarHBondContact O-N 3.27Å; N155-Q238 PolarHBondContact OD1-NE2 2.97Å
156L90.3Very high91.7Very high24 Ų2458 Ų5813%0.12631%0.313CS..Hα-helixtrans-57.3-50.2-177.9175.665.4000112.9V108 Y144 S158 V159 R160 V193V108-L156 HydrophobicContact CB-CD1 4.15Å; V108-L156 HydrophobicContact CB-CD2 4.16Å; V108-L156 HydrophobicContact CG1-CD2 3.95Å; V108-L156 HydrophobicContact CG2-CD1 4Å; V108-L156 HydrophobicContact CG2-CD2 4.1Å; Y144-L156 HydrophobicContact CD2-CB 3.7Å; Y144-L156 HydrophobicContact CD2-CD1 4.43Å; Y144-L156 HydrophobicContact CE2-CB 3.86Å; L156-S158 PolarHBondContact O-N 3.18Å; L156-S158 VanDerWaalsContact O-N 3.16Å; L156-V159 PolarHBondContact O-N 3.35Å; L156-R160 HydrophobicContact CD1-CG 4.13Å; L156-R160 PolarHBondContact O-N 3.4Å; L156-V193 HydrophobicContact CD1-CB 4.05Å; L156-V193 HydrophobicContact CD1-CG1 3.81Å; L156-V193 HydrophobicContact CD1-CG2 4.17Å
157P88.7Confident91.6Very high58 Ų5853.9 Ų53.938%0.37729%0.294SS..Hα-helixtrans-47.1-37.1170.1-3225.1000115.6N155 R160 S161N155-P157 WeakPolarHBondContact OD1-CD 3.28Å; N155-P157 WeakPolarHBondContact OD1-CG 3.43Å; P157-R160 CarbonylContact O-C 3.53Å; P157-R160 PolarHBondContact O-N 2.97Å; P157-S161 PolarHBondContact O-N 3.11Å
158S88.4Confident91.5Very high50 Ų5055.8 Ų55.835%0.3531%0.306SS..Hα-helixtrans-66.4-45.8177.1-58.30000111S152 N155 L156 R160 S161 W176S152-S158 WeakPolarHBondContact O-CB 3.48Å; N155-S158 VanDerWaalsContact O-CB 3.29Å; N155-S158 WeakPolarHBondContact O-CB 3.47Å; N155-S158 PolarHBondContact O-N 3.43Å; L156-S158 PolarHBondContact O-N 3.18Å; L156-S158 VanDerWaalsContact O-N 3.16Å; S158-R160 VanDerWaalsContact C-N 3.28Å; S158-R160 PolarHBondContact O-N 3.22Å; S158-S161 VanDerWaalsContact O-CB 3.31Å; S158-S161 WeakPolarHBondContact O-CB 3.4Å; S158-S161 PolarHBondContact O-N 3.49Å; S158-W176 WeakPolarHBondContact O-CH2 3.43Å
159V89.9Confident91.4Very high5 Ų560 Ų603%0.0333%0.325CS..Hα-helixtrans-62.3-39176.9-175.60000110.8Y142 R153 N155 L156 S161 K170 V193Y142-V159 HydrophobicContact CD2-CG1 4.42Å; Y142-V159 HydrophobicContact CG-CG1 4.12Å; R153-V159 HydrophobicContact CB-CG2 4.02Å; R153-V159 HydrophobicContact CG-CG2 4.34Å; R153-V159 WeakPolarHBondContact O-CG2 3.27Å; N155-V159 PolarHBondContact O-N 3.27Å; L156-V159 PolarHBondContact O-N 3.35Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-S161 PolarHBondContact O-N 3.44Å; V159-K170 PolarHBondContact O-NZ 2.86Å; V159-V193 HydrophobicContact CG1-CG1 4.4Å; V159-V193 HydrophobicContact CG1-CG2 3.73Å
160R91Very high91.4Very high25 Ų2554 Ų549%0.09430%0.304CS..THydrogen-bonded Turntrans-80.61.6179.1-78.717746-166.8-18.4115.5H100 P101 T103 D107 L156 P157 S158 G162 E163H100-R160 PolarHBondContact CE1-NH1 3.29Å; H100-R160 PolarHBondContact CE1-NH2 2.92Å; H100-R160 VanDerWaalsContact CE1-NH2 3.27Å; P101-R160 PolarHBondContact O-NH2 3.4Å; T103-R160 HydrophobicContact CG2-CB 4.11Å; T103-R160 HydrophobicContact CG2-CG 3.79Å; D107-R160 WeakPolarHBondContact OD1-CD 3.31Å; D107-R160 IonicContact OD1-NE 3.39Å; D107-R160 WeakPolarHBondContact OD2-CD 3.29Å; D107-R160 IonicContact OD2-CZ 2.67Å; D107-R160 IonicContact OD2-NE 2.98Å; D107-R160 PolarHBondContact OD2-NE 3.04Å; D107-R160 IonicContact OD2-NH1 2.73Å; D107-R160 PolarHBondContact OD2-NH1 3.42Å; L156-R160 HydrophobicContact CD1-CG 4.13Å; L156-R160 PolarHBondContact O-N 3.4Å; P157-R160 CarbonylContact O-C 3.53Å; P157-R160 PolarHBondContact O-N 2.97Å; S158-R160 VanDerWaalsContact C-N 3.28Å; S158-R160 PolarHBondContact O-N 3.22Å; R160-G162 PolarHBondContact O-N 3.4Å; R160-E163 PolarHBondContact O-N 3.16Å
161S88.9Confident91.5Very high75 Ų7552.7 Ų52.752%0.52429%0.293SS..THydrogen-bonded Turntrans-56.9126.3-179.6-1740000111.1P157 S158 V159 E163 K170P157-S161 PolarHBondContact O-N 3.11Å; S158-S161 VanDerWaalsContact O-CB 3.31Å; S158-S161 WeakPolarHBondContact O-CB 3.4Å; S158-S161 PolarHBondContact O-N 3.49Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-S161 PolarHBondContact O-N 3.44Å; S161-E163 VanDerWaalsContact C-N 3.29Å; S161-K170 PolarHBondContact O-NZ 3.34Å
162G87.9Confident91.7Very high43 Ų4353.5 Ų53.544%0.44329%0.294SS..THydrogen-bonded Turntrans80.20.5-17600000115.6R160 A166R160-G162 PolarHBondContact O-N 3.4Å; G162-A166 WeakPolarHBondContact O-CB 3.25Å; G162-A166 PolarHBondContact O-N 2.92Å; G162-A166 VanDerWaalsContact O-N 3.09Å
163E93.8Very high91.8Very high63 Ų6352 Ų5229%0.29428%0.284SS..THydrogen-bonded Turntrans56.5-156.4173.1-62.4-168.5-12900114.3P101 R102 R160 S161 E165P101-E163 VanDerWaalsContact CA-OE2 3.24Å; P101-E163 WeakPolarHBondContact CA-OE2 3.38Å; P101-E163 HydrophobicContact CB-CG 3.96Å; R102-E163 IonicContact CZ-OE2 3.35Å; R102-E163 PolarHBondContact N-OE2 3.03Å; R102-E163 IonicContact NH1-OE2 2.76Å; R102-E163 PolarHBondContact NH1-OE2 3.4Å; R102-E163 CarbonylContact O-C 3.51Å; R102-E163 WeakPolarHBondContact O-CA 3.39Å; R102-E163 WeakPolarHBondContact O-CB 3.3Å; R160-E163 PolarHBondContact O-N 3.16Å; S161-E163 VanDerWaalsContact C-N 3.29Å; E163-E165 VanDerWaalsContact C-N 3.3Å; E163-E165 PolarHBondContact O-N 3.01Å
164Y95.8Very high91.8Very high23 Ų2359.9 Ų59.99%0.0932%0.321CS..THydrogen-bonded Turntrans-58.6-40.6177.3170.1-101.3000111.9M93 R102 A166 L167 F185 P187M93-Y164 HydrophobicContact CB-CD2 3.94Å; M93-Y164 HydrophobicContact CB-CE2 3.56Å; M93-Y164 HydrophobicContact CE-CD2 4.23Å; M93-Y164 HydrophobicContact CE-CG 4.34Å; M93-Y164 HydrophobicContact CG-CE2 4.5Å; R102-Y164 PolarHBondContact O-N 2.87Å; Y164-A166 VanDerWaalsContact C-N 3.28Å; Y164-A166 PolarHBondContact O-N 2.87Å; Y164-L167 HydrophobicContact CD2-CD1 4.38Å; Y164-L167 WeakPolarHBondContact O-CB 3.41Å; Y164-L167 PolarHBondContact O-N 3.34Å; Y164-L167 VanDerWaalsContact O-N 3.16Å; Y164-F185 HydrophobicContact CD2-CE2 4.4Å; Y164-F185 HydrophobicContact CE1-CZ 4.45Å; Y164-F185 AromaticContact CE2-CE2 3.84Å; Y164-F185 HydrophobicContact CE2-CE2 3.84Å; Y164-F185 AromaticContact CE2-CZ 3.75Å; Y164-F185 HydrophobicContact CE2-CZ 3.75Å; Y164-F185 AromaticContact CZ-CZ 3.65Å; Y164-F185 WeakPolarHBondContact OH-CZ 3.47Å; Y164-P187 PolarHBondContact OH-O 2.84Å
165E96.1Very high91.7Very high113 Ų11361.6 Ų61.653%0.52833%0.334SS..THydrogen-bonded Turntrans-65.7-27.9-174.8-69.471.1-15800113.1R102 E163 P168R102-E165 IonicContact CZ-OE1 3.33Å; R102-E165 IonicContact CZ-OE2 3.11Å; R102-E165 IonicContact NH1-OE1 2.64Å; R102-E165 PolarHBondContact NH1-OE1 2.75Å; R102-E165 IonicContact NH1-OE2 3.2Å; R102-E165 PolarHBondContact NH1-OE2 3.36Å; R102-E165 IonicContact NH2-OE1 3.98Å; R102-E165 PolarHBondContact NH2-OE1 2.85Å; R102-E165 IonicContact NH2-OE2 2.77Å; E163-E165 VanDerWaalsContact C-N 3.3Å; E163-E165 PolarHBondContact O-N 3.01Å; E165-P168 WeakPolarHBondContact O-CD 3.44Å
166A94.8Very high91.8Very high26 Ų2661.6 Ų61.622%0.21533%0.33CS..THydrogen-bonded Turntrans-82-13.617800000114G162 Y164 D169 K170G162-A166 WeakPolarHBondContact O-CB 3.25Å; G162-A166 PolarHBondContact O-N 2.92Å; G162-A166 VanDerWaalsContact O-N 3.09Å; Y164-A166 VanDerWaalsContact C-N 3.28Å; Y164-A166 PolarHBondContact O-N 2.87Å; A166-D169 PolarHBondContact O-N 3.46Å; A166-K170 HydrophobicContact CB-CD 3.74Å; A166-K170 HydrophobicContact CB-CG 4.18Å; A166-K170 WeakPolarHBondContact O-CB 3.21Å; A166-K170 VanDerWaalsContact O-CG 3.3Å; A166-K170 WeakPolarHBondContact O-CG 3.37Å; A166-K170 PolarHBondContact O-N 3.41Å
167L94.1Very high92Very high4 Ų462.6 Ų62.62%0.02134%0.341CS..Hα-helixtrans-59.4-42.3-175.4-70.4176.9000114.7T103 Y164 D169 K170 L171 F185 A191T103-L167 WeakPolarHBondContact O-CD1 3.19Å; Y164-L167 HydrophobicContact CD2-CD1 4.38Å; Y164-L167 WeakPolarHBondContact O-CB 3.41Å; Y164-L167 PolarHBondContact O-N 3.34Å; Y164-L167 VanDerWaalsContact O-N 3.16Å; L167-D169 PolarHBondContact O-N 2.95Å; L167-D169 VanDerWaalsContact O-N 3.15Å; L167-K170 PolarHBondContact O-N 3Å; L167-L171 HydrophobicContact CB-CD1 4.3Å; L167-L171 WeakPolarHBondContact O-CB 3.41Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.06Å; L167-L171 PolarHBondContact O-N 3.24Å; L167-F185 HydrophobicContact CB-CD2 3.78Å; L167-F185 HydrophobicContact CB-CE2 3.82Å; L167-F185 HydrophobicContact CD1-CE2 4.27Å; L167-A191 HydrophobicContact CD1-CB 3.76Å; L167-A191 HydrophobicContact CD2-CB 3.75Å; L167-A191 HydrophobicContact CG-CB 4.45Å
168P94.3Very high92.4Very high47 Ų4760.9 Ų60.931%0.30533%0.33SS..Hα-helixtrans-56.6-31.1178.9-26.835.9000113.8E165 K172 F185E165-P168 WeakPolarHBondContact O-CD 3.44Å; P168-K172 WeakPolarHBondContact O-CE 3.17Å; P168-K172 WeakPolarHBondContact O-CG 3.42Å; P168-F185 HydrophobicContact CG-CD1 3.98Å; P168-F185 HydrophobicContact CG-CD2 4.15Å; P168-F185 HydrophobicContact CG-CE1 3.84Å; P168-F185 HydrophobicContact CG-CE2 4.03Å; P168-F185 HydrophobicContact CG-CG 4.12Å; P168-F185 HydrophobicContact CG-CZ 3.86Å
169D94.1Very high92.8Very high108 Ų10859.4 Ų59.458%0.57832%0.319SS*.Hα-helixtrans-94-39.3178.4-67.8-32.9000112.4A166 L167 L171 K172A166-D169 PolarHBondContact O-N 3.46Å; L167-D169 PolarHBondContact O-N 2.95Å; L167-D169 VanDerWaalsContact O-N 3.15Å; D169-L171 VanDerWaalsContact C-N 3.33Å; D169-L171 PolarHBondContact O-N 3.15Å; D169-K172 WeakPolarHBondContact O-CB 3.45Å; D169-K172 PolarHBondContact O-N 3.25Å; D169-K172 IonicContact OD1-NZ 2.77Å; D169-K172 PolarHBondContact OD1-NZ 3.41Å
170K92.9Very high93.2Very high25 Ų2560.8 Ų60.811%0.10932%0.324CS..Hα-helixtrans-58.1-44.9176.2-74.2175.373177.70111.6V159 S161 A166 L167 K172 S173 W176V159-K170 PolarHBondContact O-NZ 2.86Å; S161-K170 PolarHBondContact O-NZ 3.34Å; A166-K170 HydrophobicContact CB-CD 3.74Å; A166-K170 HydrophobicContact CB-CG 4.18Å; A166-K170 WeakPolarHBondContact O-CB 3.21Å; A166-K170 VanDerWaalsContact O-CG 3.3Å; A166-K170 WeakPolarHBondContact O-CG 3.37Å; A166-K170 PolarHBondContact O-N 3.41Å; L167-K170 PolarHBondContact O-N 3Å; K170-K172 PolarHBondContact O-N 3.11Å; K170-K172 VanDerWaalsContact O-N 3.09Å; K170-S173 PolarHBondContact O-N 2.89Å; K170-W176 HydrophobicContact CB-CB 4.32Å; K170-W176 HydrophobicContact CB-CG 4.25Å; K170-W176 VanDerWaalsContact CE-CD2 3.49Å; K170-W176 VanDerWaalsContact CE-CE3 3.44Å; K170-W176 WeakPolarHBondContact O-CB 3.31Å
171L93.4Very high93.4Very high14 Ų1461.4 Ų61.47%0.07334%0.339CS..THydrogen-bonded Turntrans-66.2-12.8-177.7-69167.3000113.9P140 Y142 L167 D169 F185P140-L171 HydrophobicContact CB-CD2 3.8Å; P140-L171 HydrophobicContact CG-CD1 4.12Å; P140-L171 HydrophobicContact CG-CD2 4.07Å; Y142-L171 VanDerWaalsContact OH-CD2 3.27Å; Y142-L171 WeakPolarHBondContact OH-CD2 3.42Å; L167-L171 HydrophobicContact CB-CD1 4.3Å; L167-L171 WeakPolarHBondContact O-CB 3.41Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.06Å; L167-L171 PolarHBondContact O-N 3.24Å; D169-L171 VanDerWaalsContact C-N 3.33Å; D169-L171 PolarHBondContact O-N 3.15Å; L171-F185 HydrophobicContact CD1-CB 3.98Å; L171-F185 HydrophobicContact CD1-CD2 4.33Å
172K92.6Very high93.8Very high158 Ų15860.4 Ų60.469%0.68733%0.33SS*.THydrogen-bonded Turntrans-81.4-18.4173.8-61.8169.6-173.4154.20112.9P168 D169 K170P168-K172 WeakPolarHBondContact O-CE 3.17Å; P168-K172 WeakPolarHBondContact O-CG 3.42Å; D169-K172 WeakPolarHBondContact O-CB 3.45Å; D169-K172 PolarHBondContact O-N 3.25Å; D169-K172 IonicContact OD1-NZ 2.77Å; D169-K172 PolarHBondContact OD1-NZ 3.41Å; K170-K172 PolarHBondContact O-N 3.11Å; K170-K172 VanDerWaalsContact O-N 3.09Å
173S91.4Very high94.1Very high48 Ų4861.2 Ų61.234%0.33633%0.332SS..SBendtrans-89.3134-178179.70000111.3K170 E175 W176 A177K170-S173 PolarHBondContact O-N 2.89Å; S173-E175 PolarHBondContact O-N 3.23Å; S173-E175 PolarHBondContact OG-N 3.45Å; S173-W176 CarbonylContact O-C 3.56Å; S173-W176 PolarHBondContact O-N 2.95Å; S173-W176 VanDerWaalsContact O-N 3.09Å; S173-A177 PolarHBondContact O-N 2.97Å
174E89.3Confident94.2Very high186 Ų18662.9 Ų62.987%0.86934%0.343SS*.G310 helixtrans-60.1-32.6174.8-69.5-171.7166.400112.5W176 A177E174-W176 PolarHBondContact O-N 3.2Å; E174-A177 VanDerWaalsContact O-CB 3.31Å; E174-A177 WeakPolarHBondContact O-CB 3.39Å; E174-A177 PolarHBondContact O-N 3.34Å; E174-A177 VanDerWaalsContact O-N 3.15Å
175E89.2Confident94.2Very high141 Ų14164.6 Ų64.666%0.65935%0.351SS*.G310 helixtrans-59.8-32.8176.7-173.5-173.8174.100112.1R153 S173R153-E175 PolarHBondContact NH2-O 3.15Å; S173-E175 PolarHBondContact O-N 3.23Å; S173-E175 PolarHBondContact OG-N 3.45Å
176W90.8Very high94.2Very high57 Ų5760.3 Ų60.322%0.21633%0.332CS..G310 helixtrans-101.618.4-177.8-73.198.5000112.5Y142 S158 K170 S173 E174Y142-W176 HydrophobicContact CE1-CE3 4.49Å; Y142-W176 VanDerWaalsContact CE1-O 3.3Å; Y142-W176 WeakPolarHBondContact CE1-O 3.17Å; Y142-W176 PolarHBondContact OH-O 3.4Å; S158-W176 WeakPolarHBondContact O-CH2 3.43Å; K170-W176 HydrophobicContact CB-CB 4.32Å; K170-W176 HydrophobicContact CB-CG 4.25Å; K170-W176 VanDerWaalsContact CE-CD2 3.49Å; K170-W176 VanDerWaalsContact CE-CE3 3.44Å; K170-W176 WeakPolarHBondContact O-CB 3.31Å; S173-W176 CarbonylContact O-C 3.56Å; S173-W176 PolarHBondContact O-N 2.95Å; S173-W176 VanDerWaalsContact O-N 3.09Å; E174-W176 PolarHBondContact O-N 3.2Å
177A94.4Very high94.3Very high45 Ų4562.2 Ų62.237%0.37234%0.343SS..  trans-55.4128.5171.100000110.2R153 S173 E174R153-A177 PolarHBondContact NH1-O 3.3Å; R153-A177 PolarHBondContact NH2-O 2.87Å; S173-A177 PolarHBondContact O-N 2.97Å; E174-A177 VanDerWaalsContact O-CB 3.31Å; E174-A177 WeakPolarHBondContact O-CB 3.39Å; E174-A177 PolarHBondContact O-N 3.34Å; E174-A177 VanDerWaalsContact O-N 3.15Å
178P96.7Very high94.4Very high22 Ų2263.9 Ų63.914%0.14336%0.355CS..  trans-65.7151.5-178.429.7-35.9000111.3P140 Y142 F180 A183P140-P178 HydrophobicContact CB-CB 3.9Å; P140-P178 HydrophobicContact CB-CG 4.08Å; Y142-P178 HydrophobicContact CE1-CB 4.13Å; Y142-P178 HydrophobicContact CE2-CB 4.47Å; P178-F180 VanDerWaalsContact C-N 3.28Å; P178-F180 WeakPolarHBondContact CB-O 3.42Å; P178-A183 HydrophobicContact CG-CB 4.43Å
179D97.3Very high94.6Very high20 Ų2061.7 Ų61.711%0.10734%0.34CS..SBendtrans-70.9-29.4178.5-68.4-73.6000111.9V141 L143 R149 R153V141-D179 PolarHBondContact O-N 2.79Å; L143-D179 HydrophobicContact CB-CB 4.35Å; L143-D179 HydrophobicContact CD1-CB 4.16Å; L143-D179 HydrophobicContact CG-CB 4.02Å; L143-D179 PolarHBondContact N-OD2 3.24Å; R149-D179 WeakPolarHBondContact CD-OD1 3.47Å; R149-D179 PolarHBondContact NH1-O 2.86Å; R149-D179 VanDerWaalsContact NH1-O 3.1Å; R149-D179 IonicContact NH1-OD1 3.52Å; R153-D179 IonicContact CZ-OD2 3.94Å; R153-D179 IonicContact NH1-OD1 3.64Å; R153-D179 PolarHBondContact NH1-OD1 3.28Å; R153-D179 IonicContact NH1-OD2 3.93Å; R153-D179 PolarHBondContact NH1-OD2 3.41Å
180F98Very high94.8Very high34 Ų3456.5 Ų56.515%0.14931%0.313CS..BIsolated β-bridgetrans-140.2150.9171.2-56.6-73.4000111.5N127 R131 A134 V141 L143 R149 P178N127-F180 HydrophobicContact CB-CZ 4.46Å; R131-F180 HydrophobicContact CB-CD1 3.98Å; R131-F180 HydrophobicContact CB-CE1 3.93Å; R131-F180 HydrophobicContact CB-CG 4.45Å; R131-F180 HydrophobicContact CB-CZ 4.35Å; A134-F180 HydrophobicContact CB-CB 3.81Å; V141-F180 HydrophobicContact CB-CB 4.29Å; V141-F180 PolarHBondContact N-O 3.01Å; V141-F180 PolarHBondContact O-N 3.2Å; V141-F180 VanDerWaalsContact O-N 3.11Å; L143-F180 HydrophobicContact CD1-CE2 3.71Å; L143-F180 HydrophobicContact CD1-CZ 4.26Å; L143-F180 HydrophobicContact CD2-CE2 4.05Å; L143-F180 HydrophobicContact CG-CD2 4.43Å; L143-F180 HydrophobicContact CG-CE2 3.93Å; R149-F180 VanDerWaalsContact NH2-CZ 3.27Å; P178-F180 VanDerWaalsContact C-N 3.28Å; P178-F180 WeakPolarHBondContact CB-O 3.42Å
181G96.8Very high95Very high38 Ų3855.4 Ų55.439%0.39231%0.308SS..SBendtrans84.3174.6177.700000114
182P96Very high95.2Very high54 Ų5454.7 Ų54.735%0.35130%0.304SS..  trans-75150.1179.731.8-34.3000111.1H138 L184H138-P182 WeakPolarHBondContact O-CG 3.43Å; P182-L184 HydrophobicContact CB-CB 4.03Å; P182-L184 HydrophobicContact CG-CB 4.01Å; P182-L184 PolarHBondContact O-N 2.95Å
183A95.1Very high95.5Very high59 Ų5947.2 Ų47.249%0.48827%0.272SS..SBendtrans-74.754.6166.300000110.9P178P178-A183 HydrophobicContact CG-CB 4.43Å
184L94.3Very high95.8Very high99 Ų9944.9 Ų44.952%0.51826%0.256SS..  trans-113.9129.9-176.9-174.483.5000109.2P140 P182 V186P140-L184 WeakPolarHBondContact CD-O 3.24Å; P182-L184 HydrophobicContact CB-CB 4.03Å; P182-L184 HydrophobicContact CG-CB 4.01Å; P182-L184 PolarHBondContact O-N 2.95Å; L184-V186 HydrophobicContact CD2-CG2 4.27Å; L184-V186 PolarHBondContact O-N 3.26Å
185F96Very high96.2Very high59 Ų5936 Ų3626%0.25921%0.214SC..  trans-78.6122.1173-178.9-116.8000110.6Y164 L167 P168 L171 P187Y164-F185 HydrophobicContact CD2-CE2 4.4Å; Y164-F185 HydrophobicContact CE1-CZ 4.45Å; Y164-F185 AromaticContact CE2-CE2 3.84Å; Y164-F185 HydrophobicContact CE2-CE2 3.84Å; Y164-F185 AromaticContact CE2-CZ 3.75Å; Y164-F185 HydrophobicContact CE2-CZ 3.75Å; Y164-F185 AromaticContact CZ-CZ 3.65Å; Y164-F185 WeakPolarHBondContact OH-CZ 3.47Å; L167-F185 HydrophobicContact CB-CD2 3.78Å; L167-F185 HydrophobicContact CB-CE2 3.82Å; L167-F185 HydrophobicContact CD1-CE2 4.27Å; P168-F185 HydrophobicContact CG-CD1 3.98Å; P168-F185 HydrophobicContact CG-CD2 4.15Å; P168-F185 HydrophobicContact CG-CE1 3.84Å; P168-F185 HydrophobicContact CG-CE2 4.03Å; P168-F185 HydrophobicContact CG-CG 4.12Å; P168-F185 HydrophobicContact CG-CZ 3.86Å; L171-F185 HydrophobicContact CD1-CB 3.98Å; L171-F185 HydrophobicContact CD1-CD2 4.33Å; F185-P187 HydrophobicContact CD1-CG 4.07Å; F185-P187 HydrophobicContact CE1-CB 4.12Å; F185-P187 HydrophobicContact CE1-CG 3.85Å
186V97Very high96.6Very high22 Ų2229.3 Ų29.313%0.13318%0.183CC..  trans-109.2102.6176.6-178.40000108.4F88 V139 L184 S188 W189 G190F88-V186 HydrophobicContact CE2-CG1 4.47Å; V139-V186 HydrophobicContact CG1-CB 4.38Å; V139-V186 HydrophobicContact CG1-CG2 4.14Å; L184-V186 HydrophobicContact CD2-CG2 4.27Å; L184-V186 PolarHBondContact O-N 3.26Å; V186-S188 VanDerWaalsContact C-N 3.34Å; V186-S188 PolarHBondContact O-N 3.1Å; V186-W189 HydrophobicContact CB-CB 4.22Å; V186-W189 HydrophobicContact CG1-CB 3.91Å; V186-W189 PolarHBondContact O-N 3.01Å; V186-G190 PolarHBondContact O-N 3.31Å
187P96.9Very high96.7Very high67 Ų6728.4 Ų28.444%0.43518%0.179SC..THydrogen-bonded Turntrans-59-35.9-169.7-27.534.6000115.4S94 Y164 F185 W189S94-P187 PolarHBondContact N-O 3.31Å; Y164-P187 PolarHBondContact OH-O 2.84Å; F185-P187 HydrophobicContact CD1-CG 4.07Å; F185-P187 HydrophobicContact CE1-CB 4.12Å; F185-P187 HydrophobicContact CE1-CG 3.85Å; P187-W189 PolarHBondContact O-N 3.04Å
188S96.9Very high96.6Very high39 Ų3931.2 Ų31.227%0.27318%0.183SC..THydrogen-bonded Turntrans-71.7-20178.355.10000113M93 V186M93-S188 WeakPolarHBondContact CG-O 3.37Å; M93-S188 PolarHBondContact N-O 3.29Å; V186-S188 VanDerWaalsContact C-N 3.34Å; V186-S188 PolarHBondContact O-N 3.1Å
189W98.1Very high96.3Very high0 Ų031.4 Ų31.40%018%0.182CC..THydrogen-bonded Turntrans-115.5-40.3-170.4-171.6-94.9000114.6A84 A87 F88 M93 G104 A105 L106 L137 V139 V186 P187 T192A84-W189 HydrophobicContact CB-CH2 4.11Å; A87-W189 HydrophobicContact CB-CH2 4.47Å; A87-W189 HydrophobicContact CB-CZ3 4.19Å; F88-W189 HydrophobicContact CB-CE3 4.07Å; F88-W189 HydrophobicContact CB-CZ3 3.78Å; F88-W189 HydrophobicContact CD2-CB 4.43Å; F88-W189 AromaticContact CD2-CD2 3.81Å; F88-W189 HydrophobicContact CD2-CD2 3.81Å; F88-W189 AromaticContact CD2-CE3 3.39Å; F88-W189 HydrophobicContact CD2-CE3 3.39Å; F88-W189 HydrophobicContact CD2-CG 4.29Å; F88-W189 AromaticContact CD2-CZ3 3.91Å; F88-W189 HydrophobicContact CD2-CZ3 3.91Å; F88-W189 HydrophobicContact CE2-CB 4.17Å; F88-W189 HydrophobicContact CE2-CD2 4.32Å; F88-W189 HydrophobicContact CE2-CE3 4.25Å; F88-W189 HydrophobicContact CE2-CG 4.33Å; F88-W189 HydrophobicContact CG-CE3 4.15Å; F88-W189 HydrophobicContact CG-CZ3 4.34Å; M93-W189 WeakPolarHBondContact CG-O 3.4Å; G104-W189 CarbonylContact C-O 3.47Å; G104-W189 WeakPolarHBondContact CA-O 3.31Å; A105-W189 HydrophobicContact CB-CD2 3.95Å; A105-W189 HydrophobicContact CB-CE3 3.48Å; A105-W189 VanDerWaalsContact CB-CE3 3.48Å; A105-W189 HydrophobicContact CB-CH2 4.45Å; A105-W189 HydrophobicContact CB-CZ3 3.75Å; A105-W189 PolarHBondContact N-O 2.94Å; L106-W189 HydrophobicContact CB-CH2 3.84Å; L106-W189 HydrophobicContact CB-CZ2 3.61Å; L137-W189 HydrophobicContact CD1-CH2 4.1Å; L137-W189 HydrophobicContact CD1-CZ2 4.07Å; V139-W189 HydrophobicContact CB-CG 4.43Å; V139-W189 HydrophobicContact CG1-CB 4.11Å; V139-W189 VanDerWaalsContact CG1-CD1 3.44Å; V139-W189 HydrophobicContact CG1-CD2 4.44Å; V139-W189 HydrophobicContact CG1-CG 3.72Å; V186-W189 HydrophobicContact CB-CB 4.22Å; V186-W189 HydrophobicContact CG1-CB 3.91Å; V186-W189 PolarHBondContact O-N 3.01Å; P187-W189 PolarHBondContact O-N 3.04Å; W189-T192 PolarHBondContact NE1-OG1 2.86Å
190G97.3Very high96Very high0 Ų031.9 Ų31.90%018%0.184CC..BIsolated β-bridgetrans73.2-133.2-168.200000112.4T103 V186T103-G190 WeakPolarHBondContact O-CA 3.17Å; V186-G190 PolarHBondContact O-N 3.31Å
191A97.4Very high95.9Very high1 Ų130.3 Ų30.31%0.00818%0.177CC..  trans-129.6146.9179.100000111.5T103 G104 P140 Y142 L167T103-A191 CarbonylContact C-O 3.56Å; T103-A191 PolarHBondContact O-N 2.88Å; G104-A191 WeakPolarHBondContact CA-O 3.39Å; G104-A191 PolarHBondContact N-O 3.09Å; P140-A191 HydrophobicContact CB-CB 4.49Å; P140-A191 HydrophobicContact CG-CB 3.9Å; Y142-A191 HydrophobicContact CD2-CB 4.39Å; Y142-A191 HydrophobicContact CE2-CB 4.08Å; L167-A191 HydrophobicContact CD1-CB 3.76Å; L167-A191 HydrophobicContact CD2-CB 3.75Å; L167-A191 HydrophobicContact CG-CB 4.45Å
192T98.3Very high95.8Very high0 Ų029.4 Ų29.40%017%0.166CC..EExtended strand (participates in β ladder)trans-107.2139.6178-66.60000111.2L106 F129 L133 P140 V141 Y142 W189L106-T192 HydrophobicContact CB-CG2 4.42Å; L106-T192 HydrophobicContact CD2-CG2 4.14Å; L106-T192 HydrophobicContact CG-CG2 3.97Å; L106-T192 WeakPolarHBondContact O-CA 3.39Å; L106-T192 WeakPolarHBondContact O-CB 3.16Å; L106-T192 WeakPolarHBondContact O-CG2 3.41Å; L106-T192 PolarHBondContact O-OG1 3.33Å; F129-T192 HydrophobicContact CE1-CG2 4.4Å; L133-T192 HydrophobicContact CD2-CG2 3.7Å; P140-T192 PolarHBondContact O-N 3.28Å; P140-T192 VanDerWaalsContact O-N 3.14Å; V141-T192 CarbonylContact C-O 3.52Å; V141-T192 VanDerWaalsContact CA-O 3.26Å; V141-T192 WeakPolarHBondContact CA-O 3.41Å; Y142-T192 PolarHBondContact N-O 3.3Å; W189-T192 PolarHBondContact NE1-OG1 2.86Å
193V98.2Very high95.9Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-107134.2171.3-170.90000109.3D107 V108 C109 Y142 Y144 L156 V159D107-V193 WeakPolarHBondContact O-CB 3.29Å; D107-V193 PolarHBondContact O-N 3.4Å; V108-V193 CarbonylContact C-O 3.59Å; V108-V193 WeakPolarHBondContact CA-O 3.4Å; V108-V193 HydrophobicContact CB-CB 4.37Å; V108-V193 HydrophobicContact CG2-CB 4.24Å; V108-V193 HydrophobicContact CG2-CG1 4.39Å; C109-V193 PolarHBondContact N-O 3.22Å; Y142-V193 CarbonylContact O-C 3.36Å; Y142-V193 WeakPolarHBondContact O-CA 3.24Å; Y144-V193 HydrophobicContact CD1-CG1 3.64Å; Y144-V193 HydrophobicContact CG-CG1 3.79Å; L156-V193 HydrophobicContact CD1-CB 4.05Å; L156-V193 HydrophobicContact CD1-CG1 3.81Å; L156-V193 HydrophobicContact CD1-CG2 4.17Å; V159-V193 HydrophobicContact CG1-CG1 4.4Å; V159-V193 HydrophobicContact CG1-CG2 3.73Å
194T98.4Very high96Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-133152.5174.5-177.70000110.5C109 A126 F129 V141 Y142 L143 Y144C109-T194 WeakPolarHBondContact O-CA 3.29Å; C109-T194 PolarHBondContact O-OG1 3.32Å; A126-T194 WeakPolarHBondContact O-CG2 3.27Å; F129-T194 HydrophobicContact CD1-CG2 4.05Å; F129-T194 WeakPolarHBondContact CD1-OG1 3.41Å; V141-T194 HydrophobicContact CG1-CG2 3.79Å; Y142-T194 PolarHBondContact O-N 3.43Å; L143-T194 CarbonylContact C-O 3.57Å; L143-T194 VanDerWaalsContact CA-O 3.26Å; L143-T194 WeakPolarHBondContact CA-O 3.36Å; L143-T194 HydrophobicContact CD2-CG2 3.67Å; Y144-T194 WeakPolarHBondContact CD1-O 3.26Å; Y144-T194 PolarHBondContact N-O 3.45Å
195G97.5Very high96.2Very high0 Ų019.5 Ų19.50%010%0.103CC..EExtended strand (participates in β ladder)trans-178.7-179.2-178.500000113.5C109 P110 F111 Y144C109-G195 PolarHBondContact O-N 3Å; P110-G195 CarbonylContact C-O 3.53Å; P110-G195 VanDerWaalsContact CA-O 3.29Å; P110-G195 WeakPolarHBondContact CA-O 3.49Å; F111-G195 PolarHBondContact N-O 2.97Å; Y144-G195 WeakPolarHBondContact O-CA 3.37Å
196A96.9Very high96.3Very high0 Ų016.8 Ų16.80%09%0.091CC..EExtended strand (participates in β ladder)trans-116.8144.8171.900000109.7F111 M119 C122 V123 E146F111-A196 VanDerWaalsContact O-CA 3.28Å; F111-A196 WeakPolarHBondContact O-CA 3.43Å; M119-A196 HydrophobicContact SD-CB 3.84Å; C122-A196 HydrophobicContact CB-CB 3.74Å; V123-A196 HydrophobicContact CB-CB 4.4Å; V123-A196 HydrophobicContact CG2-CB 3.67Å; E146-A196 HydrophobicContact CB-CB 4.46Å; E146-A196 PolarHBondContact N-O 2.87Å
197R94.3Very high96.3Very high37 Ų3715.8 Ų15.814%0.149%0.085CC..  trans-155.5165.9177.456.9164.7178.174.3-3111.2P110 F111 I112 Y144 L200P110-R197 HydrophobicContact CB-CG 4.24Å; F111-R197 PolarHBondContact O-N 3.07Å; I112-R197 HydrophobicContact CG1-CG 4.16Å; Y144-R197 VanDerWaalsContact OH-CD 3.26Å; Y144-R197 WeakPolarHBondContact OH-CD 3.4Å; Y144-R197 PolarHBondContact OH-NE 2.83Å; R197-L200 VanDerWaalsContact CZ-CB 3.46Å
198K90.7Very high96.3Very high104 Ų10417.4 Ų17.445%0.4529%0.089SC..SBendtrans-59.8162.5163.4-69.2-168.8176.7-1710110.9M119 L200 D258M119-K198 HydrophobicContact CE-CG 4.3Å; K198-L200 PolarHBondContact O-N 3.29Å; K198-D258 IonicContact NZ-OD2 2.83Å; K198-D258 PolarHBondContact NZ-OD2 2.89Å
199F90.4Very high96.3Very high27 Ų2716.7 Ų16.712%0.1189%0.087CC..  trans-56131.7170.9-156-73.7000109.6E24 I112 I201 F259 L290 P292 I340E24-F199 WeakPolarHBondContact OE1-CE2 3.2Å; E24-F199 WeakPolarHBondContact OE2-CD2 3.13Å; E24-F199 WeakPolarHBondContact OE2-CE2 3.4Å; I112-F199 HydrophobicContact CG2-CB 4.17Å; I112-F199 HydrophobicContact CG2-CD2 4.17Å; F199-I201 HydrophobicContact CD1-CG1 4.32Å; F199-F259 HydrophobicContact CB-CE1 4.5Å; F199-L290 HydrophobicContact CZ-CB 4.29Å; F199-P292 HydrophobicContact CB-CG 4.25Å; F199-P292 HydrophobicContact CD1-CG 3.35Å; F199-P292 HydrophobicContact CD2-CG 4Å; F199-P292 HydrophobicContact CE1-CG 3.64Å; F199-P292 HydrophobicContact CE2-CG 4.2Å; F199-P292 HydrophobicContact CG-CG 3.57Å; F199-P292 HydrophobicContact CZ-CG 4.04Å; F199-I340 HydrophobicContact CE2-CD1 3.94Å; F199-I340 HydrophobicContact CE2-CG2 4.28Å
200L91.9Very high96.2Very high30 Ų3019.5 Ų19.516%0.15711%0.105CC..  trans-117.9131.9-178.2178.8156.8000107.2R197 K198 A202 N255 I256 L257R197-L200 VanDerWaalsContact CZ-CB 3.46Å; K198-L200 PolarHBondContact O-N 3.29Å; L200-A202 HydrophobicContact CD2-CB 4.36Å; L200-N255 HydrophobicContact CD1-CB 4.05Å; L200-N255 HydrophobicContact CD2-CB 3.93Å; L200-N255 HydrophobicContact CG-CB 4.15Å; L200-I256 WeakPolarHBondContact CA-O 3.38Å; L200-L257 HydrophobicContact CD1-CD2 3.46Å; L200-L257 VanDerWaalsContact CD1-CD2 3.46Å; L200-L257 HydrophobicContact CG-CD2 4.21Å
201I95.3Very high96.2Very high0 Ų023.2 Ų23.20%012%0.121CC..EExtended strand (participates in β ladder)trans-100.6114.3175.6-51.9174.9000108F199 Y203 I256 F259 L264 I287 I291 A295F199-I201 HydrophobicContact CD1-CG1 4.32Å; I201-Y203 PolarHBondContact O-N 3.39Å; I201-I256 HydrophobicContact CB-CB 4.19Å; I201-I256 HydrophobicContact CB-CD1 4.49Å; I201-I256 PolarHBondContact N-O 2.68Å; I201-I256 PolarHBondContact O-N 3.13Å; I201-F259 HydrophobicContact CD1-CB 3.6Å; I201-F259 HydrophobicContact CD1-CD1 4.08Å; I201-F259 HydrophobicContact CD1-CG 3.91Å; I201-F259 HydrophobicContact CG1-CB 4.47Å; I201-F259 HydrophobicContact CG1-CD1 4.5Å; I201-L264 HydrophobicContact CG2-CD1 4.42Å; I201-I287 HydrophobicContact CG2-CD1 3.58Å; I201-I291 HydrophobicContact CD1-CD1 4.23Å; I201-I291 HydrophobicContact CD1-CG1 4.11Å; I201-I291 HydrophobicContact CG1-CG1 4.49Å; I201-I291 HydrophobicContact CG2-CD1 4.27Å; I201-I291 HydrophobicContact CG2-CG1 4.44Å; I201-A295 HydrophobicContact CD1-CB 3.49Å; I201-A295 VanDerWaalsContact CD1-CB 3.49Å
202A94.8Very high96.2Very high19 Ų1929.5 Ų29.516%0.15715%0.15CC..EExtended strand (participates in β ladder)trans-82.4111170.500000108.4L200 V288L200-A202 HydrophobicContact CD2-CB 4.36Å; A202-V288 HydrophobicContact CB-CB 3.85Å; A202-V288 PolarHBondContact O-N 2.86Å
203Y97.8Very high96.2Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-131.2116.3-168.7-177.4-126.1000110.9I201 V205 T254 I256 L264 V267 Y268 S285 I287 L327I201-Y203 PolarHBondContact O-N 3.39Å; Y203-V205 HydrophobicContact CD1-CG2 4.09Å; Y203-V205 HydrophobicContact CE1-CG2 3.57Å; Y203-T254 PolarHBondContact N-O 3.44Å; Y203-T254 WeakPolarHBondContact O-CA 3.3Å; Y203-T254 WeakPolarHBondContact O-CB 3.38Å; Y203-T254 PolarHBondContact O-N 2.97Å; Y203-T254 PolarHBondContact O-OG1 2.96Å; Y203-I256 HydrophobicContact CD1-CD1 4.37Å; Y203-L264 HydrophobicContact CD1-CD1 3.71Å; Y203-L264 HydrophobicContact CD2-CD1 3.72Å; Y203-L264 HydrophobicContact CE1-CD1 3.88Å; Y203-L264 HydrophobicContact CE2-CD1 3.86Å; Y203-L264 HydrophobicContact CG-CD1 3.62Å; Y203-V267 HydrophobicContact CD1-CB 4.42Å; Y203-V267 HydrophobicContact CD1-CG1 4.09Å; Y203-V267 HydrophobicContact CE1-CG1 4.44Å; Y203-Y268 HydrophobicContact CE1-CD2 4.39Å; Y203-Y268 WeakPolarHBondContact OH-CB 3.33Å; Y203-Y268 WeakPolarHBondContact OH-CD2 3.46Å; Y203-S285 VanDerWaalsContact CE2-CB 3.42Å; Y203-S285 VanDerWaalsContact CE2-OG 3.25Å; Y203-S285 WeakPolarHBondContact CE2-OG 3.39Å; Y203-S285 WeakPolarHBondContact OH-CB 3.43Å; Y203-S285 PolarHBondContact OH-OG 2.78Å; Y203-I287 HydrophobicContact CD2-CD1 3.57Å; Y203-I287 HydrophobicContact CD2-CG1 4.43Å; Y203-I287 HydrophobicContact CE2-CD1 4.25Å; Y203-I287 HydrophobicContact CG-CD1 4.35Å; Y203-L327 HydrophobicContact CE2-CD2 3.83Å
204N97.4Very high96.2Very high5 Ų532.8 Ų32.83%0.02717%0.165CC..EExtended strand (participates in β ladder)trans-107.5128-179.6-58.5-27.5000110Q251 V252 S253 S285 Q286 V288N204-Q251 HydrophobicContact CB-CB 4.49Å; N204-V252 WeakPolarHBondContact CA-O 3.34Å; N204-S253 VanDerWaalsContact OD1-CA 3.25Å; N204-S253 WeakPolarHBondContact OD1-CA 3.3Å; N204-S253 VanDerWaalsContact OD1-CB 3.24Å; N204-S253 WeakPolarHBondContact OD1-CB 3.4Å; N204-S253 PolarHBondContact OD1-OG 3.25Å; N204-S285 CarbonylContact O-C 3.51Å; N204-S285 WeakPolarHBondContact O-CA 3.24Å; N204-S285 WeakPolarHBondContact O-CB 3.26Å; N204-Q286 PolarHBondContact N-O 2.88Å; N204-Q286 PolarHBondContact O-N 3.22Å; N204-V288 VanDerWaalsContact ND2-CG2 3.32Å; N204-V288 WeakPolarHBondContact ND2-CG2 3.48Å
205V98.5Very high96.1Very high0 Ų035.8 Ų35.80%018%0.179CC..EExtended strand (participates in β ladder)trans-103128.9174.9-178.40000109.8Y203 Q251 V252 Y268 I271 V282Y203-V205 HydrophobicContact CD1-CG2 4.09Å; Y203-V205 HydrophobicContact CE1-CG2 3.57Å; V205-Q251 CarbonylContact O-C 3.51Å; V205-Q251 VanDerWaalsContact O-CA 3.3Å; V205-Q251 WeakPolarHBondContact O-CA 3.46Å; V205-V252 PolarHBondContact N-O 3.16Å; V205-V252 PolarHBondContact O-N 3.14Å; V205-Y268 HydrophobicContact CG1-CD2 3.95Å; V205-Y268 HydrophobicContact CG1-CE2 3.93Å; V205-Y268 HydrophobicContact CG2-CD2 3.87Å; V205-I271 HydrophobicContact CB-CD1 3.97Å; V205-I271 HydrophobicContact CB-CG2 3.92Å; V205-I271 HydrophobicContact CG1-CB 4.39Å; V205-I271 HydrophobicContact CG1-CG2 3.59Å; V205-I271 HydrophobicContact CG2-CD1 3.55Å; V205-I271 HydrophobicContact CG2-CG2 4.41Å; V205-V282 HydrophobicContact CG1-CG1 3.49Å; V205-V282 VanDerWaalsContact CG1-CG1 3.49Å
206N98.3Very high96.1Very high1 Ų141.5 Ų41.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-89131.4-168.9-71-23.2000111L249 Q251 V282 V283 G284 S329N206-L249 HydrophobicContact CB-CD2 3.46Å; N206-L249 VanDerWaalsContact CB-CD2 3.46Å; N206-Q251 WeakPolarHBondContact OD1-CG 3.27Å; N206-Q251 PolarHBondContact OD1-NE2 2.83Å; N206-V282 CarbonylContact O-C 3.58Å; N206-V282 WeakPolarHBondContact O-CA 3.24Å; N206-V283 HydrophobicContact CB-CG2 3.9Å; N206-V283 PolarHBondContact O-N 3.19Å; N206-G284 WeakPolarHBondContact CB-O 3.12Å; N206-G284 PolarHBondContact N-O 3.33Å; N206-S329 PolarHBondContact ND2-OG 3.02Å
207L97.4Very high96.2Very high2 Ų241.5 Ų41.51%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-131.9134.6-176.6-59173.1000111.2G209 A214 I217 L249 A250 V252 A275 P281 V282L207-G209 PolarHBondContact O-N 2.85Å; L207-G209 VanDerWaalsContact O-N 3.16Å; L207-A214 HydrophobicContact CD1-CB 3.9Å; L207-I217 HydrophobicContact CD1-CD1 3.61Å; L207-L249 WeakPolarHBondContact O-CG 3.2Å; L207-A250 HydrophobicContact CB-CB 4.49Å; L207-A250 PolarHBondContact N-O 2.82Å; L207-A250 PolarHBondContact O-N 3.4Å; L207-V252 HydrophobicContact CD1-CG2 3.52Å; L207-V252 HydrophobicContact CG-CG2 4.43Å; L207-A275 HydrophobicContact CD2-CB 4.1Å; L207-P281 WeakPolarHBondContact CA-O 3.43Å; L207-V282 HydrophobicContact CD2-CB 4.34Å; L207-V282 HydrophobicContact CD2-CG2 3.68Å
208I97.3Very high96.3Very high101 Ų10139.8 Ų39.852%0.51819%0.194SC..SBendtrans-8197.1161.9-45.9179.2000107.7L249 P281 V283I208-L249 HydrophobicContact CG1-CD1 4.16Å; I208-P281 HydrophobicContact CB-CG 3.65Å; I208-P281 HydrophobicContact CD1-CG 4.05Å; I208-P281 HydrophobicContact CG1-CG 3.96Å; I208-P281 PolarHBondContact N-O 2.9Å; I208-P281 VanDerWaalsContact N-O 3.09Å; I208-V283 HydrophobicContact CD1-CG1 3.89Å; I208-V283 HydrophobicContact CG1-CG1 3.85Å; I208-V283 HydrophobicContact CG1-CG2 4.12Å
209G95.3Very high96.6Very high23 Ų2336.3 Ų36.324%0.23718%0.181CC..SBendtrans-174-165.1-177.600000111.7L207 A250L207-G209 PolarHBondContact O-N 2.85Å; L207-G209 VanDerWaalsContact O-N 3.16Å; G209-A250 WeakPolarHBondContact O-CB 3.07Å
210T97Very high96.9Very high60 Ų6036.8 Ų36.837%0.36819%0.185SC..  trans-98.5163.3177.7830000112.3E212 Q213 A214T210-E212 WeakPolarHBondContact CB-OE2 3.32Å; T210-E212 PolarHBondContact O-N 3.31Å; T210-E212 PolarHBondContact OG1-N 2.98Å; T210-E212 PolarHBondContact OG1-OE2 3.22Å; T210-Q213 PolarHBondContact O-N 2.99Å; T210-Q213 PolarHBondContact OG1-N 3.43Å; T210-A214 PolarHBondContact O-N 3.3Å
211K96.6Very high97.2Very high78 Ų7835.4 Ų35.434%0.33918%0.177SC..Hα-helixtrans-54.9-40.6172.9179168.2175.4174.30112E99 A214 H215E99-K211 IonicContact OE2-NZ 2.75Å; E99-K211 PolarHBondContact OE2-NZ 3.48Å; K211-A214 PolarHBondContact O-N 2.89Å; K211-H215 VanDerWaalsContact O-CB 3.24Å; K211-H215 WeakPolarHBondContact O-CB 3.33Å; K211-H215 PolarHBondContact O-N 3.16Å
212E97.7Very high97.2Very high132 Ų13237 Ų3762%0.61718%0.183SC*.Hα-helixtrans-67.2-39.4-178.5-59.469.8-15200111.3T210 H215 R216T210-E212 WeakPolarHBondContact CB-OE2 3.32Å; T210-E212 PolarHBondContact O-N 3.31Å; T210-E212 PolarHBondContact OG1-N 2.98Å; T210-E212 PolarHBondContact OG1-OE2 3.22Å; E212-H215 PolarHBondContact O-N 3.28Å; E212-R216 WeakPolarHBondContact O-CB 3.4Å; E212-R216 PolarHBondContact O-N 3.11Å
213Q97.9Very high97.2Very high69 Ų6939.4 Ų39.432%0.32219%0.191SC..Hα-helixtrans-68.4-45.3176.4-69.7173.6-37.900111.4T210 H215 R216 I217 L280T210-Q213 PolarHBondContact O-N 2.99Å; T210-Q213 PolarHBondContact OG1-N 3.43Å; Q213-H215 VanDerWaalsContact C-N 3.31Å; Q213-H215 PolarHBondContact O-N 3.39Å; Q213-R216 WeakPolarHBondContact O-CB 3.31Å; Q213-R216 PolarHBondContact O-N 3.45Å; Q213-I217 WeakPolarHBondContact O-CG1 3.39Å; Q213-I217 PolarHBondContact O-N 3.28Å; Q213-L280 HydrophobicContact CB-CD1 3.74Å; Q213-L280 HydrophobicContact CG-CD1 4.19Å
214A97.9Very high96.9Very high0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-61.3-41.5174.100000111.4L207 T210 K211 R216 I217 A218 A250 Q251 V252L207-A214 HydrophobicContact CD1-CB 3.9Å; T210-A214 PolarHBondContact O-N 3.3Å; K211-A214 PolarHBondContact O-N 2.89Å; A214-R216 VanDerWaalsContact C-N 3.34Å; A214-R216 PolarHBondContact O-N 2.97Å; A214-I217 PolarHBondContact O-N 3.33Å; A214-A218 WeakPolarHBondContact O-CB 3.21Å; A214-A218 PolarHBondContact O-N 3.11Å; A214-A250 HydrophobicContact CB-CB 3.98Å; A214-Q251 WeakPolarHBondContact CB-O 3.34Å; A214-V252 HydrophobicContact CB-CG2 4.25Å; A214-V252 WeakPolarHBondContact O-CG2 3.11Å
215H97.7Very high96.7Very high64 Ų6445.2 Ų45.230%0.29622%0.218SC..Hα-helixtrans-66-38.2178-16886.6000111.6K211 E212 Q213 A218 L219 G241K211-H215 VanDerWaalsContact O-CB 3.24Å; K211-H215 WeakPolarHBondContact O-CB 3.33Å; K211-H215 PolarHBondContact O-N 3.16Å; E212-H215 PolarHBondContact O-N 3.28Å; Q213-H215 VanDerWaalsContact C-N 3.31Å; Q213-H215 PolarHBondContact O-N 3.39Å; H215-A218 WeakPolarHBondContact O-CB 3.42Å; H215-A218 PolarHBondContact O-N 3.03Å; H215-L219 VanDerWaalsContact O-CG 3.28Å; H215-L219 WeakPolarHBondContact O-CG 3.29Å; H215-L219 PolarHBondContact O-N 3.37Å; H215-G241 PolarHBondContact ND1-N 2.97Å
216R97.5Very high96.4Very high119 Ų11951 Ų5145%0.44924%0.24SC..Hα-helixtrans-57.8-47.6172.1179.1-176.2169.7168.1-1.4111.6E212 Q213 A214 A218 L219 D220E212-R216 WeakPolarHBondContact O-CB 3.4Å; E212-R216 PolarHBondContact O-N 3.11Å; Q213-R216 WeakPolarHBondContact O-CB 3.31Å; Q213-R216 PolarHBondContact O-N 3.45Å; A214-R216 VanDerWaalsContact C-N 3.34Å; A214-R216 PolarHBondContact O-N 2.97Å; R216-A218 VanDerWaalsContact C-N 3.34Å; R216-L219 WeakPolarHBondContact O-CB 3.44Å; R216-L219 PolarHBondContact O-N 3.47Å; R216-D220 PolarHBondContact O-N 3.13Å
217I98Very high95.8Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-62.6-44.5177.4-63.7163.1000110.1L207 Q213 A214 L219 D220 I221 V252 I271 V274 A275 L278 L280L207-I217 HydrophobicContact CD1-CD1 3.61Å; Q213-I217 WeakPolarHBondContact O-CG1 3.39Å; Q213-I217 PolarHBondContact O-N 3.28Å; A214-I217 PolarHBondContact O-N 3.33Å; I217-L219 VanDerWaalsContact C-N 3.25Å; I217-L219 PolarHBondContact O-N 2.7Å; I217-D220 PolarHBondContact O-N 2.79Å; I217-I221 HydrophobicContact CG2-CG1 4.06Å; I217-I221 VanDerWaalsContact O-CG1 3.26Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 3.29Å; I217-V252 HydrophobicContact CB-CG2 3.82Å; I217-V252 HydrophobicContact CD1-CG2 4.49Å; I217-V252 HydrophobicContact CG2-CG2 3.78Å; I217-I271 HydrophobicContact CG2-CG1 4.34Å; I217-I271 HydrophobicContact CG2-CG2 4.13Å; I217-V274 HydrophobicContact CB-CG1 4.43Å; I217-V274 HydrophobicContact CG1-CG1 3.99Å; I217-V274 HydrophobicContact CG2-CB 4.24Å; I217-V274 HydrophobicContact CG2-CG1 4.18Å; I217-A275 HydrophobicContact CD1-CB 4.11Å; I217-L278 HydrophobicContact CD1-CD1 4.23Å; I217-L278 HydrophobicContact CG1-CD1 3.85Å; I217-L280 HydrophobicContact CD1-CD1 4.22Å
218A97.6Very high95.2Very high1 Ų162.2 Ų62.21%0.00830%0.297CS..Hα-helixtrans-58-38177.600000112.8A214 H215 R216 D220 I221 R222 L240 V252A214-A218 WeakPolarHBondContact O-CB 3.21Å; A214-A218 PolarHBondContact O-N 3.11Å; H215-A218 WeakPolarHBondContact O-CB 3.42Å; H215-A218 PolarHBondContact O-N 3.03Å; R216-A218 VanDerWaalsContact C-N 3.34Å; A218-D220 VanDerWaalsContact C-N 3.35Å; A218-I221 PolarHBondContact O-N 3.44Å; A218-R222 VanDerWaalsContact O-CB 3.31Å; A218-R222 WeakPolarHBondContact O-CB 3.36Å; A218-R222 WeakPolarHBondContact O-CD 3.25Å; A218-R222 WeakPolarHBondContact O-CG 3.43Å; A218-R222 PolarHBondContact O-N 2.87Å; A218-L240 VanDerWaalsContact CB-C 3.41Å; A218-V252 HydrophobicContact CB-CG1 3.98Å
219L96.7Very high94.9Very high31 Ų3164.8 Ų64.816%0.16231%0.312CS..Hα-helixtrans-65.2-35.7175.1-72.5167.7000112.7H215 R216 I217 G225 R226H215-L219 VanDerWaalsContact O-CG 3.28Å; H215-L219 WeakPolarHBondContact O-CG 3.29Å; H215-L219 PolarHBondContact O-N 3.37Å; R216-L219 WeakPolarHBondContact O-CB 3.44Å; R216-L219 PolarHBondContact O-N 3.47Å; I217-L219 VanDerWaalsContact C-N 3.25Å; I217-L219 PolarHBondContact O-N 2.7Å; L219-G225 WeakPolarHBondContact CD2-O 3.45Å; L219-G225 CarbonylContact O-C 3.59Å; L219-G225 WeakPolarHBondContact O-CA 3.48Å; L219-R226 HydrophobicContact CB-CG 3.84Å; L219-R226 HydrophobicContact CD1-CG 4.41Å; L219-R226 HydrophobicContact CD2-CG 4.46Å; L219-R226 HydrophobicContact CG-CG 4.48Å
220D96.5Very high94.8Very high38 Ų3869.7 Ų69.720%0.20333%0.329CS..Hα-helixtrans-76.7-29.5179.7-64.1-24000111.4R216 I217 A218 R226 G232 L233R216-D220 PolarHBondContact O-N 3.13Å; I217-D220 PolarHBondContact O-N 2.79Å; A218-D220 VanDerWaalsContact C-N 3.35Å; D220-R226 VanDerWaalsContact CG-NH2 3.29Å; D220-R226 IonicContact OD1-CZ 2.64Å; D220-R226 IonicContact OD1-NE 2.75Å; D220-R226 PolarHBondContact OD1-NE 3.05Å; D220-R226 IonicContact OD1-NH2 3.5Å; D220-R226 PolarHBondContact OD1-NH2 3.38Å; D220-R226 IonicContact OD2-NH2 3.76Å; D220-R226 PolarHBondContact OD2-NH2 3.22Å; D220-G232 CarbonylContact O-C 3.59Å; D220-G232 WeakPolarHBondContact O-CA 3.48Å; D220-L233 PolarHBondContact O-N 3.03Å
221I97Very high94.7Very high0 Ų070.7 Ų70.70%034%0.336CS..Hα-helixtrans-86-44.7-176.6-63.1-70.4000112.7I217 A218 L233 L234 V237 E270 I271 V274I217-I221 HydrophobicContact CG2-CG1 4.06Å; I217-I221 VanDerWaalsContact O-CG1 3.26Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 3.29Å; A218-I221 PolarHBondContact O-N 3.44Å; I221-L233 HydrophobicContact CD1-CD1 4.24Å; I221-L234 HydrophobicContact CG2-CB 4.46Å; I221-L234 HydrophobicContact CG2-CD1 3.69Å; I221-L234 HydrophobicContact CG2-CG 4.16Å; I221-L234 WeakPolarHBondContact O-CB 3.12Å; I221-L234 PolarHBondContact O-N 2.86Å; I221-V237 HydrophobicContact CG2-CG1 4.23Å; I221-E270 HydrophobicContact CD1-CB 3.56Å; I221-I271 HydrophobicContact CD1-CG1 4.07Å; I221-I271 HydrophobicContact CG1-CG1 3.82Å; I221-I271 HydrophobicContact CG2-CG1 4.34Å; I221-V274 HydrophobicContact CD1-CG2 4.07Å
222R95.9Very high94.7Very high35 Ų3567.6 Ų67.613%0.13233%0.327CS..SBendtrans-67.9148-17274.9-169.2-169.5171.92.9112.8A218 Q224 G225 G232 V237 G239A218-R222 VanDerWaalsContact O-CB 3.31Å; A218-R222 WeakPolarHBondContact O-CB 3.36Å; A218-R222 WeakPolarHBondContact O-CD 3.25Å; A218-R222 WeakPolarHBondContact O-CG 3.43Å; A218-R222 PolarHBondContact O-N 2.87Å; R222-Q224 VanDerWaalsContact C-N 3.3Å; R222-Q224 PolarHBondContact O-N 3.02Å; R222-Q224 VanDerWaalsContact O-N 3.16Å; R222-G225 PolarHBondContact NE-O 3.11Å; R222-G225 PolarHBondContact NH2-O 3.31Å; R222-G225 WeakPolarHBondContact O-CA 3.22Å; R222-G225 PolarHBondContact O-N 3.01Å; R222-G232 WeakPolarHBondContact O-CA 3.4Å; R222-G232 PolarHBondContact O-N 3.38Å; R222-V237 CarbonylContact C-O 3.39Å; R222-V237 WeakPolarHBondContact CA-O 3.5Å; R222-G239 WeakPolarHBondContact CD-O 3.33Å; R222-G239 PolarHBondContact NH1-O 2.92Å
223E95.3Very high94.6Very high69 Ų6966.2 Ų66.232%0.32232%0.323SS..THydrogen-bonded Turntrans-56.2-41.3-175.1-177.6171.6-176.200113.4G225 P231 G232 L234 K235 K236 V237E223-G225 PolarHBondContact O-N 3.44Å; E223-P231 WeakPolarHBondContact O-CB 3.19Å; E223-G232 PolarHBondContact O-N 3.29Å; E223-L234 WeakPolarHBondContact CA-O 3.31Å; E223-L234 WeakPolarHBondContact CB-O 3.36Å; E223-L234 PolarHBondContact N-O 2.71Å; E223-K235 HydrophobicContact CG-CD 4.04Å; E223-K236 WeakPolarHBondContact OE2-CA 3.19Å; E223-K236 PolarHBondContact OE2-N 3.11Å; E223-V237 PolarHBondContact N-O 3.01Å
224Q90.9Very high94.6Very high125 Ų12563.8 Ų63.858%0.58431%0.312SS*.THydrogen-bonded Turntrans-64.3-22.5178.3-175.2177.97.500112.8R222R222-Q224 VanDerWaalsContact C-N 3.3Å; R222-Q224 PolarHBondContact O-N 3.02Å; R222-Q224 VanDerWaalsContact O-N 3.16Å
225G93.3Very high94.5Very high1 Ų168.9 Ų68.91%0.0133%0.334CS..THydrogen-bonded Turntrans61.1-142.7-177.700000113.7L219 R222 E223 Q230 G232L219-G225 WeakPolarHBondContact CD2-O 3.45Å; L219-G225 CarbonylContact O-C 3.59Å; L219-G225 WeakPolarHBondContact O-CA 3.48Å; R222-G225 PolarHBondContact NE-O 3.11Å; R222-G225 PolarHBondContact NH2-O 3.31Å; R222-G225 WeakPolarHBondContact O-CA 3.22Å; R222-G225 PolarHBondContact O-N 3.01Å; E223-G225 PolarHBondContact O-N 3.44Å; G225-Q230 VanDerWaalsContact CA-O 3.28Å; G225-Q230 WeakPolarHBondContact CA-O 3.41Å; G225-G232 VanDerWaalsContact CA-N 3.27Å
226R92.9Very high94.3Very high121 Ų12170.4 Ų70.446%0.45734%0.34SS..THydrogen-bonded Turntrans-90.8-7.4177.9-66.2176.2-177.6-133.54.3113.5L219 D220 Q230L219-R226 HydrophobicContact CB-CG 3.84Å; L219-R226 HydrophobicContact CD1-CG 4.41Å; L219-R226 HydrophobicContact CD2-CG 4.46Å; L219-R226 HydrophobicContact CG-CG 4.48Å; D220-R226 VanDerWaalsContact CG-NH2 3.29Å; D220-R226 IonicContact OD1-CZ 2.64Å; D220-R226 IonicContact OD1-NE 2.75Å; D220-R226 PolarHBondContact OD1-NE 3.05Å; D220-R226 IonicContact OD1-NH2 3.5Å; D220-R226 PolarHBondContact OD1-NH2 3.38Å; D220-R226 IonicContact OD2-NH2 3.76Å; D220-R226 PolarHBondContact OD2-NH2 3.22Å; R226-Q230 HydrophobicContact CB-CB 4.43Å; R226-Q230 PolarHBondContact N-O 2.99Å
227G85.8Confident94.3Very high29 Ų2964.7 Ų64.730%0.29932%0.319SS..BIsolated β-bridgetrans165.8175.2-17700000111.2D229 Q230G227-D229 PolarHBondContact O-N 3.18Å; G227-D229 VanDerWaalsContact O-N 3.15Å; G227-Q230 CarbonylContact O-C 3.47Å; G227-Q230 PolarHBondContact O-N 3.18Å; G227-Q230 VanDerWaalsContact O-N 3.1Å
228K84.1Confident94.1Very high210 Ų21066.7 Ų66.791%0.91333%0.328SS*.THydrogen-bonded Turntrans-56.7-33.4-174.9-70.3-174.9177.5-179.40113.9
229D92.1Very high94Very high156 Ų15667.1 Ų67.183%0.83433%0.332SS*.THydrogen-bonded Turntrans-96.3-1.1-176.4-52.7-49.5000113.7G227G227-D229 PolarHBondContact O-N 3.18Å; G227-D229 VanDerWaalsContact O-N 3.15Å
230Q93Very high93.9Very high125 Ų12568.7 Ų68.758%0.58434%0.34SS*.BIsolated β-bridgetrans-135.472-178-68.4178.347.100109.4G225 R226 G227G225-Q230 VanDerWaalsContact CA-O 3.28Å; G225-Q230 WeakPolarHBondContact CA-O 3.41Å; R226-Q230 HydrophobicContact CB-CB 4.43Å; R226-Q230 PolarHBondContact N-O 2.99Å; G227-Q230 CarbonylContact O-C 3.47Å; G227-Q230 PolarHBondContact O-N 3.18Å; G227-Q230 VanDerWaalsContact O-N 3.1Å
231P94.4Very high93.8Very high81 Ų8167.1 Ų67.153%0.52633%0.334SS..  trans-65.9153.3176.830.1-35.4000110.8E223E223-P231 WeakPolarHBondContact O-CB 3.19Å
232G95.7Very high93.7Very high14 Ų1468.2 Ų68.214%0.14434%0.337CS..  trans-80.3-178.317400000112.7D220 R222 E223 G225D220-G232 CarbonylContact O-C 3.59Å; D220-G232 WeakPolarHBondContact O-CA 3.48Å; R222-G232 WeakPolarHBondContact O-CA 3.4Å; R222-G232 PolarHBondContact O-N 3.38Å; E223-G232 PolarHBondContact O-N 3.29Å; G225-G232 VanDerWaalsContact CA-N 3.27Å
233L96.1Very high93.6Very high103 Ų10369 Ų6954%0.53934%0.341SS..SBendtrans-71-39.5-172-64.1173.2000113D220 I221 V274D220-L233 PolarHBondContact O-N 3.03Å; I221-L233 HydrophobicContact CD1-CD1 4.24Å; L233-V274 HydrophobicContact CD1-CG2 4.19Å
234L97.4Very high93.5Very high18 Ų1866.4 Ų66.49%0.09433%0.329CS..  trans-104.9131.1-169.1-61.4-175.4000112.5I221 E223 V237 T262 V267 E270I221-L234 HydrophobicContact CG2-CB 4.46Å; I221-L234 HydrophobicContact CG2-CD1 3.69Å; I221-L234 HydrophobicContact CG2-CG 4.16Å; I221-L234 WeakPolarHBondContact O-CB 3.12Å; I221-L234 PolarHBondContact O-N 2.86Å; E223-L234 WeakPolarHBondContact CA-O 3.31Å; E223-L234 WeakPolarHBondContact CB-O 3.36Å; E223-L234 PolarHBondContact N-O 2.71Å; L234-V237 HydrophobicContact CB-CB 3.97Å; L234-V237 HydrophobicContact CB-CG2 3.73Å; L234-V237 HydrophobicContact CD1-CG2 4.23Å; L234-T262 HydrophobicContact CB-CG2 4.17Å; L234-T262 HydrophobicContact CD1-CG2 4.06Å; L234-T262 HydrophobicContact CD2-CG2 4.18Å; L234-T262 HydrophobicContact CG-CG2 4.39Å; L234-V267 HydrophobicContact CD1-CB 4.17Å; L234-V267 HydrophobicContact CD1-CG1 4.42Å; L234-V267 HydrophobicContact CD1-CG2 3.81Å; L234-E270 HydrophobicContact CD1-CB 4.31Å; L234-E270 HydrophobicContact CD1-CG 4.28Å; L234-E270 HydrophobicContact CD2-CG 3.96Å; L234-E270 HydrophobicContact CG-CG 4.37Å
235K96Very high93.4Very high107 Ų10767 Ų6747%0.46533%0.332SS..THydrogen-bonded Turntrans-78150.9172.5-62.5-55.7-174.1-175.40110.2E223 V237 L261 T262E223-K235 HydrophobicContact CG-CD 4.04Å; K235-V237 PolarHBondContact O-N 3.13Å; K235-L261 HydrophobicContact CB-CD2 4.25Å; K235-T262 PolarHBondContact O-OG1 3.4Å
236K94.8Very high93.2Very high95 Ų9572.1 Ų72.141%0.41336%0.356SS..THydrogen-bonded Turntrans5329.4178.9-61.4-58.8-173.1-179.90113.7E223 L257 D258 L261E223-K236 WeakPolarHBondContact OE2-CA 3.19Å; E223-K236 PolarHBondContact OE2-N 3.11Å; K236-L257 HydrophobicContact CB-CB 4.17Å; K236-L257 WeakPolarHBondContact O-CB 3.44Å; K236-L257 WeakPolarHBondContact O-CG 3.38Å; K236-L257 PolarHBondContact O-N 2.89Å; K236-D258 HydrophobicContact CB-CB 4.12Å; K236-D258 HydrophobicContact CG-CB 4.24Å; K236-L261 HydrophobicContact CB-CD2 4.32Å; K236-L261 HydrophobicContact CG-CD2 3.62Å
237V96.4Very high93.1Very high0 Ų068.3 Ų68.30%035%0.35CS..EExtended strand (participates in β ladder)trans-118.3128171.2176.90000108.4I221 R222 E223 L234 K235 T254 N255 T262 V267I221-V237 HydrophobicContact CG2-CG1 4.23Å; R222-V237 CarbonylContact C-O 3.39Å; R222-V237 WeakPolarHBondContact CA-O 3.5Å; E223-V237 PolarHBondContact N-O 3.01Å; L234-V237 HydrophobicContact CB-CB 3.97Å; L234-V237 HydrophobicContact CB-CG2 3.73Å; L234-V237 HydrophobicContact CD1-CG2 4.23Å; K235-V237 PolarHBondContact O-N 3.13Å; V237-T254 HydrophobicContact CG1-CG2 4.32Å; V237-N255 WeakPolarHBondContact CA-O 3.48Å; V237-T262 HydrophobicContact CG2-CG2 3.68Å; V237-V267 HydrophobicContact CG2-CG2 3.97Å
238Q94.6Very high93.5Very high42 Ų4272.6 Ų72.620%0.19637%0.366CS..EExtended strand (participates in β ladder)trans-108.6150.1166.9-61.7-178-18.200108.4N155 T254 N255 L257N155-Q238 PolarHBondContact OD1-NE2 2.97Å; Q238-T254 CarbonylContact O-C 3.52Å; Q238-T254 WeakPolarHBondContact O-CA 3.42Å; Q238-T254 WeakPolarHBondContact O-CB 3.41Å; Q238-N255 HydrophobicContact CB-CB 4.33Å; Q238-N255 PolarHBondContact N-O 3.17Å; Q238-N255 PolarHBondContact O-N 3Å; Q238-L257 HydrophobicContact CG-CD1 3.98Å; Q238-L257 HydrophobicContact CG-CD2 4.4Å; Q238-L257 HydrophobicContact CG-CG 4.36Å
239G94.2Very high94.1Very high9 Ų963.7 Ų63.79%0.09333%0.328CS..EExtended strand (participates in β ladder)trans-164.8155.9-179.700000114.7R222 S253R222-G239 WeakPolarHBondContact CD-O 3.33Å; R222-G239 PolarHBondContact NH1-O 2.92Å; G239-S253 CarbonylContact C-O 3.21Å; G239-S253 WeakPolarHBondContact CA-O 3.3Å
240L94.9Very high94.3Very high64 Ų6456.3 Ų56.334%0.33529%0.289SS..EExtended strand (participates in β ladder)trans-142.8161.8176.4-67.8165.1000108.6P101 A218 S253P101-L240 HydrophobicContact CG-CD1 4.24Å; A218-L240 VanDerWaalsContact CB-C 3.41Å; L240-S253 PolarHBondContact N-O 3.43Å; L240-S253 PolarHBondContact O-N 2.63Å; L240-S253 VanDerWaalsContact O-O 3.11Å
241G95.8Very high94.6Very high6 Ų650.4 Ų50.46%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-110.5136.2170.300000111H215 Q251H215-G241 PolarHBondContact ND1-N 2.97Å; G241-Q251 WeakPolarHBondContact CA-O 3.43Å
242W94.3Very high94.7Very high22 Ų2246.5 Ų46.58%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-140.6178.6175.660.748.1000111.3T62 H100 A250 Q251 S253T62-W242 HydrophobicContact CG2-CH2 4.25Å; T62-W242 HydrophobicContact CG2-CZ2 4.28Å; H100-W242 AromaticContact CD2-CZ3 3.97Å; W242-A250 WeakPolarHBondContact O-CA 3.27Å; W242-Q251 PolarHBondContact N-O 3.17Å; W242-Q251 VanDerWaalsContact N-O 3.15Å; W242-Q251 PolarHBondContact O-N 3.41Å; W242-S253 VanDerWaalsContact CH2-CB 3.45Å; W242-S253 WeakPolarHBondContact CH2-OG 3.42Å; W242-S253 VanDerWaalsContact CZ2-CB 3.4Å; W242-S253 VanDerWaalsContact CZ2-OG 3.29Å; W242-S253 WeakPolarHBondContact CZ2-OG 3.44Å
243Y94.6Very high94.8Very high51 Ų5146.5 Ų46.520%0.223%0.234CC..EExtended strand (participates in β ladder)trans-123.1133176.6-162.5-98.7000109.4N248 A250Y243-N248 WeakPolarHBondContact OH-CA 3.44Å; Y243-N248 PolarHBondContact OH-O 3.34Å; Y243-N248 PolarHBondContact OH-OD1 3.25Å; Y243-A250 HydrophobicContact CD2-CB 4Å; Y243-A250 HydrophobicContact CE2-CB 4.44Å
244L92.4Very high94.9Very high15 Ų1541.6 Ų41.68%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-96106172.4-65.4-175.1000108.4E246 A247 N248 L249 Q251 L330L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 3.3Å; L244-A247 HydrophobicContact CB-CB 4.06Å; L244-A247 HydrophobicContact CD1-CB 4.4Å; L244-A247 PolarHBondContact O-N 3.43Å; L244-N248 WeakPolarHBondContact O-CA 3.25Å; L244-N248 PolarHBondContact O-N 2.85Å; L244-L249 PolarHBondContact N-O 3.25Å; L244-L249 PolarHBondContact O-N 2.9Å; L244-Q251 HydrophobicContact CD1-CG 4.14Å; L244-Q251 VanDerWaalsContact CD1-OE1 3.26Å; L244-Q251 HydrophobicContact CG-CG 4.31Å; L244-L330 HydrophobicContact CD1-CD1 3.94Å
245E89.6Confident94.8Very high137 Ų13743.1 Ų43.164%0.6422%0.216SC*.THydrogen-bonded Turntrans-62.5-39.7178.7-67.7-67.3170.800111.4A247 N248E245-A247 VanDerWaalsContact C-N 3.26Å; E245-A247 PolarHBondContact O-N 2.95Å; E245-N248 PolarHBondContact O-N 3.17Å
246E88.3Confident94.8Very high110 Ų11038 Ų3851%0.51419%0.194SC..THydrogen-bonded Turntrans-65.7-26.7-179.362.5-91.2-129.500113.6S61 L244S61-E246 VanDerWaalsContact CB-OE2 3.31Å; S61-E246 WeakPolarHBondContact CB-OE2 3.48Å; S61-E246 PolarHBondContact OG-OE2 2.93Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 3.3Å
247A91.1Very high94.8Very high41 Ų4135.7 Ų35.734%0.33919%0.186SC..THydrogen-bonded Turntrans-106.6-4.3178.900000112.8L244 E245 L249 L330L244-A247 HydrophobicContact CB-CB 4.06Å; L244-A247 HydrophobicContact CD1-CB 4.4Å; L244-A247 PolarHBondContact O-N 3.43Å; E245-A247 VanDerWaalsContact C-N 3.26Å; E245-A247 PolarHBondContact O-N 2.95Å; A247-L249 VanDerWaalsContact C-N 3.28Å; A247-L249 HydrophobicContact CB-CB 4.25Å; A247-L249 PolarHBondContact O-N 3.23Å; A247-L330 HydrophobicContact CB-CD2 3.95Å
248N94.6Very high94.6Very high118 Ų11836.9 Ų36.963%0.63119%0.192SC*.THydrogen-bonded Turntrans49.148.1-173.3-17261.4000112.1Y243 L244 E245Y243-N248 WeakPolarHBondContact OH-CA 3.44Å; Y243-N248 PolarHBondContact OH-O 3.34Å; Y243-N248 PolarHBondContact OH-OD1 3.25Å; L244-N248 WeakPolarHBondContact O-CA 3.25Å; L244-N248 PolarHBondContact O-N 2.85Å; E245-N248 PolarHBondContact O-N 3.17Å
249L95.5Very high94.7Very high24 Ų2435.9 Ų35.913%0.12619%0.187CC..EExtended strand (participates in β ladder)trans-144143.8-169.6-149.285.2000113.2N206 L207 I208 L244 A247 V283N206-L249 HydrophobicContact CB-CD2 3.46Å; N206-L249 VanDerWaalsContact CB-CD2 3.46Å; L207-L249 WeakPolarHBondContact O-CG 3.2Å; I208-L249 HydrophobicContact CG1-CD1 4.16Å; L244-L249 PolarHBondContact N-O 3.25Å; L244-L249 PolarHBondContact O-N 2.9Å; A247-L249 VanDerWaalsContact C-N 3.28Å; A247-L249 HydrophobicContact CB-CB 4.25Å; A247-L249 PolarHBondContact O-N 3.23Å; L249-V283 HydrophobicContact CD1-CG2 4.06Å; L249-V283 HydrophobicContact CD2-CG2 3.83Å
250A97.3Very high94.6Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-86.6151.3169.900000110.9L207 G209 A214 W242 Y243L207-A250 HydrophobicContact CB-CB 4.49Å; L207-A250 PolarHBondContact N-O 2.82Å; L207-A250 PolarHBondContact O-N 3.4Å; G209-A250 WeakPolarHBondContact O-CB 3.07Å; A214-A250 HydrophobicContact CB-CB 3.98Å; W242-A250 WeakPolarHBondContact O-CA 3.27Å; Y243-A250 HydrophobicContact CD2-CB 4Å; Y243-A250 HydrophobicContact CE2-CB 4.44Å
251Q98Very high94.7Very high1 Ų142.9 Ų42.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-134139.5175.7-69-173.9-4400112N204 V205 N206 A214 G241 W242 L244 S253N204-Q251 HydrophobicContact CB-CB 4.49Å; V205-Q251 CarbonylContact O-C 3.51Å; V205-Q251 VanDerWaalsContact O-CA 3.3Å; V205-Q251 WeakPolarHBondContact O-CA 3.46Å; N206-Q251 WeakPolarHBondContact OD1-CG 3.27Å; N206-Q251 PolarHBondContact OD1-NE2 2.83Å; A214-Q251 WeakPolarHBondContact CB-O 3.34Å; G241-Q251 WeakPolarHBondContact CA-O 3.43Å; W242-Q251 PolarHBondContact N-O 3.17Å; W242-Q251 VanDerWaalsContact N-O 3.15Å; W242-Q251 PolarHBondContact O-N 3.41Å; L244-Q251 HydrophobicContact CD1-CG 4.14Å; L244-Q251 VanDerWaalsContact CD1-OE1 3.26Å; L244-Q251 HydrophobicContact CG-CG 4.31Å; Q251-S253 PolarHBondContact O-N 2.63Å
252V98.2Very high94.8Very high0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-85.899.8158.9178.90000106.1N204 V205 L207 A214 I217 A218 T254 I271N204-V252 WeakPolarHBondContact CA-O 3.34Å; V205-V252 PolarHBondContact N-O 3.16Å; V205-V252 PolarHBondContact O-N 3.14Å; L207-V252 HydrophobicContact CD1-CG2 3.52Å; L207-V252 HydrophobicContact CG-CG2 4.43Å; A214-V252 HydrophobicContact CB-CG2 4.25Å; A214-V252 WeakPolarHBondContact O-CG2 3.11Å; I217-V252 HydrophobicContact CB-CG2 3.82Å; I217-V252 HydrophobicContact CD1-CG2 4.49Å; I217-V252 HydrophobicContact CG2-CG2 3.78Å; A218-V252 HydrophobicContact CB-CG1 3.98Å; V252-T254 HydrophobicContact CG1-CG2 3.87Å; V252-I271 HydrophobicContact CB-CD1 4.15Å; V252-I271 HydrophobicContact CB-CG2 4.44Å; V252-I271 HydrophobicContact CG1-CD1 3.64Å; V252-I271 HydrophobicContact CG1-CG1 4.12Å; V252-I271 HydrophobicContact CG2-CG2 4.29Å
253S96.9Very high94.9Very high13 Ų1343.6 Ų43.69%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-85.2125.2177.2-178.90000109.8N204 G239 L240 W242 Q251N204-S253 VanDerWaalsContact OD1-CA 3.25Å; N204-S253 WeakPolarHBondContact OD1-CA 3.3Å; N204-S253 VanDerWaalsContact OD1-CB 3.24Å; N204-S253 WeakPolarHBondContact OD1-CB 3.4Å; N204-S253 PolarHBondContact OD1-OG 3.25Å; G239-S253 CarbonylContact C-O 3.21Å; G239-S253 WeakPolarHBondContact CA-O 3.3Å; L240-S253 PolarHBondContact N-O 3.43Å; L240-S253 PolarHBondContact O-N 2.63Å; L240-S253 VanDerWaalsContact O-O 3.11Å; W242-S253 VanDerWaalsContact CH2-CB 3.45Å; W242-S253 WeakPolarHBondContact CH2-OG 3.42Å; W242-S253 VanDerWaalsContact CZ2-CB 3.4Å; W242-S253 VanDerWaalsContact CZ2-OG 3.29Å; W242-S253 WeakPolarHBondContact CZ2-OG 3.44Å; Q251-S253 PolarHBondContact O-N 2.63Å
254T97.4Very high95.1Very high1 Ų141.2 Ų41.21%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-127.7149.8179.970.60000112.9Y203 V237 Q238 V252 V267 I271Y203-T254 PolarHBondContact N-O 3.44Å; Y203-T254 WeakPolarHBondContact O-CA 3.3Å; Y203-T254 WeakPolarHBondContact O-CB 3.38Å; Y203-T254 PolarHBondContact O-N 2.97Å; Y203-T254 PolarHBondContact O-OG1 2.96Å; V237-T254 HydrophobicContact CG1-CG2 4.32Å; Q238-T254 CarbonylContact O-C 3.52Å; Q238-T254 WeakPolarHBondContact O-CA 3.42Å; Q238-T254 WeakPolarHBondContact O-CB 3.41Å; V252-T254 HydrophobicContact CG1-CG2 3.87Å; T254-V267 HydrophobicContact CG2-CG1 4.25Å; T254-I271 HydrophobicContact CG2-CD1 4.13Å
255N95.8Very high95.3Very high49 Ų4941.5 Ų41.526%0.26222%0.217SC..EExtended strand (participates in β ladder)trans-112.9114.8164.8-72.1-32.2000108.1L200 V237 Q238 L257L200-N255 HydrophobicContact CD1-CB 4.05Å; L200-N255 HydrophobicContact CD2-CB 3.93Å; L200-N255 HydrophobicContact CG-CB 4.15Å; V237-N255 WeakPolarHBondContact CA-O 3.48Å; Q238-N255 HydrophobicContact CB-CB 4.33Å; Q238-N255 PolarHBondContact N-O 3.17Å; Q238-N255 PolarHBondContact O-N 3Å; N255-L257 HydrophobicContact CB-CD2 4.15Å; N255-L257 PolarHBondContact O-N 3.01Å
256I97.1Very high95.7Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-85.8104172.1-49.4-178.2000107L200 I201 Y203 F259 T262 L264 V267L200-I256 WeakPolarHBondContact CA-O 3.38Å; I201-I256 HydrophobicContact CB-CB 4.19Å; I201-I256 HydrophobicContact CB-CD1 4.49Å; I201-I256 PolarHBondContact N-O 2.68Å; I201-I256 PolarHBondContact O-N 3.13Å; Y203-I256 HydrophobicContact CD1-CD1 4.37Å; I256-F259 HydrophobicContact CG2-CB 4.07Å; I256-T262 VanDerWaalsContact CG2-O 3.25Å; I256-T262 WeakPolarHBondContact CG2-O 3.46Å; I256-L264 HydrophobicContact CD1-CD1 3.81Å; I256-V267 HydrophobicContact CD1-CB 4.2Å; I256-V267 HydrophobicContact CD1-CG2 3.65Å; I256-V267 HydrophobicContact CG1-CG2 3.96Å
257L93.2Very high96.2Very high46 Ų4631 Ų3124%0.24117%0.171CC..SBendtrans-77.9-23.5-174-51.5-178.3000112.7L200 K236 Q238 N255L200-L257 HydrophobicContact CD1-CD2 3.46Å; L200-L257 VanDerWaalsContact CD1-CD2 3.46Å; L200-L257 HydrophobicContact CG-CD2 4.21Å; K236-L257 HydrophobicContact CB-CB 4.17Å; K236-L257 WeakPolarHBondContact O-CB 3.44Å; K236-L257 WeakPolarHBondContact O-CG 3.38Å; K236-L257 PolarHBondContact O-N 2.89Å; Q238-L257 HydrophobicContact CG-CD1 3.98Å; Q238-L257 HydrophobicContact CG-CD2 4.4Å; Q238-L257 HydrophobicContact CG-CG 4.36Å; N255-L257 HydrophobicContact CB-CD2 4.15Å; N255-L257 PolarHBondContact O-N 3.01Å
258D93.6Very high96.6Very high25 Ų2530.2 Ų30.213%0.13416%0.16CC..  trans-149.896.7176.7-166.7-30.8000109.3K198 K236 E260 L261 T262K198-D258 IonicContact NZ-OD2 2.83Å; K198-D258 PolarHBondContact NZ-OD2 2.89Å; K236-D258 HydrophobicContact CB-CB 4.12Å; K236-D258 HydrophobicContact CG-CB 4.24Å; D258-E260 PolarHBondContact O-N 3.43Å; D258-E260 PolarHBondContact OD1-N 2.86Å; D258-E260 VanDerWaalsContact OD1-N 3.15Å; D258-L261 HydrophobicContact CB-CB 4.24Å; D258-L261 PolarHBondContact O-N 2.79Å; D258-L261 PolarHBondContact OD1-N 3.3Å; D258-T262 PolarHBondContact O-N 3.3Å
259F95.3Very high96.8Very high22 Ų2228.5 Ų28.510%0.09615%0.148CC..THydrogen-bonded Turntrans-72.3-13.7-176.372-94.1000113.3F199 I201 I256 T262 P263 P292 K294 A295F199-F259 HydrophobicContact CB-CE1 4.5Å; I201-F259 HydrophobicContact CD1-CB 3.6Å; I201-F259 HydrophobicContact CD1-CD1 4.08Å; I201-F259 HydrophobicContact CD1-CG 3.91Å; I201-F259 HydrophobicContact CG1-CB 4.47Å; I201-F259 HydrophobicContact CG1-CD1 4.5Å; I256-F259 HydrophobicContact CG2-CB 4.07Å; F259-T262 WeakPolarHBondContact CA-O 3.21Å; F259-T262 CarbonylContact O-C 3.59Å; F259-P263 VanDerWaalsContact O-CA 3.28Å; F259-P263 WeakPolarHBondContact O-CA 3.15Å; F259-P292 HydrophobicContact CD1-CG 4.41Å; F259-P292 HydrophobicContact CE1-CB 4.25Å; F259-P292 HydrophobicContact CE1-CG 3.82Å; F259-P292 HydrophobicContact CZ-CB 4.12Å; F259-P292 HydrophobicContact CZ-CG 4.2Å; F259-K294 HydrophobicContact CE2-CB 4.1Å; F259-K294 HydrophobicContact CE2-CD 4.06Å; F259-K294 HydrophobicContact CE2-CG 4.02Å; F259-K294 HydrophobicContact CZ-CB 4.4Å; F259-K294 HydrophobicContact CZ-CD 4.41Å; F259-A295 HydrophobicContact CB-CB 4.42Å; F259-A295 HydrophobicContact CD2-CB 3.64Å; F259-A295 HydrophobicContact CE2-CB 4.02Å; F259-A295 HydrophobicContact CG-CB 3.99Å
260E93.7Very high96.9Very high116 Ų11631.3 Ų31.354%0.54216%0.161SC..THydrogen-bonded Turntrans-79.1-34.3174.6-53.7-164.2137.200111D258 K294D258-E260 PolarHBondContact O-N 3.43Å; D258-E260 PolarHBondContact OD1-N 2.86Å; D258-E260 VanDerWaalsContact OD1-N 3.15Å; E260-K294 VanDerWaalsContact OE1-CE 3.3Å; E260-K294 WeakPolarHBondContact OE1-CE 3.48Å; E260-K294 IonicContact OE1-NZ 2.71Å; E260-K294 PolarHBondContact OE1-NZ 3.21Å
261L95.7Very high96.9Very high103 Ų10331.3 Ų31.354%0.53916%0.161SC..THydrogen-bonded Turntrans-80.2-42.2174179.362.5000112.1K235 K236 D258K235-L261 HydrophobicContact CB-CD2 4.25Å; K236-L261 HydrophobicContact CB-CD2 4.32Å; K236-L261 HydrophobicContact CG-CD2 3.62Å; D258-L261 HydrophobicContact CB-CB 4.24Å; D258-L261 PolarHBondContact O-N 2.79Å; D258-L261 PolarHBondContact OD1-N 3.3Å
262T97.7Very high97Very high10 Ų1032 Ų326%0.06117%0.166CC..SBendtrans-127.293.3178.3-61.90000109.6L234 K235 V237 I256 D258 F259 V267L234-T262 HydrophobicContact CB-CG2 4.17Å; L234-T262 HydrophobicContact CD1-CG2 4.06Å; L234-T262 HydrophobicContact CD2-CG2 4.18Å; L234-T262 HydrophobicContact CG-CG2 4.39Å; K235-T262 PolarHBondContact O-OG1 3.4Å; V237-T262 HydrophobicContact CG2-CG2 3.68Å; I256-T262 VanDerWaalsContact CG2-O 3.25Å; I256-T262 WeakPolarHBondContact CG2-O 3.46Å; D258-T262 PolarHBondContact O-N 3.3Å; F259-T262 WeakPolarHBondContact CA-O 3.21Å; F259-T262 CarbonylContact O-C 3.59Å; T262-V267 HydrophobicContact CG2-CG2 3.8Å
263P97.4Very high96.9Very high33 Ų3333.3 Ų33.321%0.21418%0.179CC..  trans-61.9152.6-175.6-2635.7000113.8F259 H265 A266 V267F259-P263 VanDerWaalsContact O-CA 3.28Å; F259-P263 WeakPolarHBondContact O-CA 3.15Å; P263-H265 VanDerWaalsContact C-N 3.29Å; P263-H265 WeakPolarHBondContact CB-CE1 3.41Å; P263-H265 PolarHBondContact O-N 2.89Å; P263-A266 WeakPolarHBondContact O-CB 3.5Å; P263-A266 PolarHBondContact O-N 3.41Å; P263-V267 PolarHBondContact O-N 3.49Å
264L97.9Very high97Very high1 Ų133.3 Ų33.31%0.00518%0.179CC..Hα-helixtrans-51-46.4179.7-179.266.9000113I201 Y203 I256 A266 V267 Y268 I287 I291 L296 L325I201-L264 HydrophobicContact CG2-CD1 4.42Å; Y203-L264 HydrophobicContact CD1-CD1 3.71Å; Y203-L264 HydrophobicContact CD2-CD1 3.72Å; Y203-L264 HydrophobicContact CE1-CD1 3.88Å; Y203-L264 HydrophobicContact CE2-CD1 3.86Å; Y203-L264 HydrophobicContact CG-CD1 3.62Å; I256-L264 HydrophobicContact CD1-CD1 3.81Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 3.23Å; L264-V267 PolarHBondContact O-N 3.4Å; L264-Y268 PolarHBondContact O-N 3.38Å; L264-I287 HydrophobicContact CD1-CD1 4.16Å; L264-I291 HydrophobicContact CD2-CD1 3.78Å; L264-L296 HydrophobicContact CD2-CD2 4.17Å; L264-L325 HydrophobicContact CD2-CD1 3.51Å; L264-L325 HydrophobicContact CG-CD1 3.74Å
265H98.1Very high97Very high22 Ų2233.3 Ų33.310%0.10218%0.178CC..Hα-helixtrans-65.1-34.6179.960.5-91.3000112.3P263 Y268 Q269 A299 F302 Y303P263-H265 VanDerWaalsContact C-N 3.29Å; P263-H265 WeakPolarHBondContact CB-CE1 3.41Å; P263-H265 PolarHBondContact O-N 2.89Å; H265-Y268 PolarHBondContact O-N 3.42Å; H265-Q269 WeakPolarHBondContact O-CB 3.41Å; H265-Q269 VanDerWaalsContact O-CG 3.23Å; H265-Q269 WeakPolarHBondContact O-CG 3.27Å; H265-Q269 PolarHBondContact O-N 2.97Å; H265-A299 HydrophobicContact CB-CB 4.02Å; H265-A299 WeakPolarHBondContact ND1-CA 3.47Å; H265-F302 HydrophobicContact CB-CD1 4.01Å; H265-F302 HydrophobicContact CB-CE1 4.45Å; H265-F302 AromaticContact CD2-CD1 3.46Å; H265-F302 VanDerWaalsContact CD2-CD1 3.46Å; H265-F302 WeakPolarHBondContact CD2-CD1 3.5Å; H265-F302 AromaticContact CD2-CD2 3.51Å; H265-F302 AromaticContact CD2-CE1 3.87Å; H265-F302 AromaticContact CD2-CE2 3.9Å; H265-F302 AromaticContact CD2-CG 3.27Å; H265-F302 WeakPolarHBondContact CD2-CG 3.5Å; H265-F302 AromaticContact CE1-CG 3.98Å; H265-F302 AromaticContact CG-CD1 3.77Å; H265-F302 AromaticContact CG-CG 3.8Å; H265-F302 AromaticContact NE2-CD2 3.44Å; H265-F302 WeakPolarHBondContact NE2-CD2 3.26Å; H265-F302 AromaticContact NE2-CG 3.43Å; H265-F302 WeakPolarHBondContact NE2-CG 3.31Å; H265-Y303 HydrophobicContact CB-CE2 4Å
266A98.3Very high97.1Very high25 Ų2537.9 Ų37.921%0.20720%0.199CC..Hα-helixtrans-64.3-43.8178.700000110.9P263 L264 Y268 Q269 E270P263-A266 WeakPolarHBondContact O-CB 3.5Å; P263-A266 PolarHBondContact O-N 3.41Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 3.23Å; A266-Y268 VanDerWaalsContact C-N 3.33Å; A266-Y268 PolarHBondContact O-N 3.25Å; A266-Q269 PolarHBondContact O-N 3.26Å; A266-E270 WeakPolarHBondContact O-CB 3.23Å; A266-E270 WeakPolarHBondContact O-CG 3.34Å; A266-E270 PolarHBondContact O-N 2.76Å
267V98.4Very high97.1Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-58.2-45.9175.2-177.80000111.5Y203 L234 V237 T254 I256 T262 P263 L264 I271Y203-V267 HydrophobicContact CD1-CB 4.42Å; Y203-V267 HydrophobicContact CD1-CG1 4.09Å; Y203-V267 HydrophobicContact CE1-CG1 4.44Å; L234-V267 HydrophobicContact CD1-CB 4.17Å; L234-V267 HydrophobicContact CD1-CG1 4.42Å; L234-V267 HydrophobicContact CD1-CG2 3.81Å; V237-V267 HydrophobicContact CG2-CG2 3.97Å; T254-V267 HydrophobicContact CG2-CG1 4.25Å; I256-V267 HydrophobicContact CD1-CB 4.2Å; I256-V267 HydrophobicContact CD1-CG2 3.65Å; I256-V267 HydrophobicContact CG1-CG2 3.96Å; T262-V267 HydrophobicContact CG2-CG2 3.8Å; P263-V267 PolarHBondContact O-N 3.49Å; L264-V267 PolarHBondContact O-N 3.4Å; V267-I271 HydrophobicContact CG1-CD1 3.81Å; V267-I271 WeakPolarHBondContact O-CB 3.3Å; V267-I271 WeakPolarHBondContact O-CD1 3.29Å; V267-I271 VanDerWaalsContact O-CG1 3.28Å; V267-I271 WeakPolarHBondContact O-CG1 3.39Å; V267-I271 PolarHBondContact O-N 3.36Å; V267-I271 VanDerWaalsContact O-N 3.11Å
268Y98.6Very high97.3Very high25 Ų2545.5 Ų45.510%0.09823%0.234CC..Hα-helixtrans-63.8-47.8178.1-172.8-109.9000112.4Y203 V205 L264 H265 A266 E270 I271 C272 V282 L325Y203-Y268 HydrophobicContact CE1-CD2 4.39Å; Y203-Y268 WeakPolarHBondContact OH-CB 3.33Å; Y203-Y268 WeakPolarHBondContact OH-CD2 3.46Å; V205-Y268 HydrophobicContact CG1-CD2 3.95Å; V205-Y268 HydrophobicContact CG1-CE2 3.93Å; V205-Y268 HydrophobicContact CG2-CD2 3.87Å; L264-Y268 PolarHBondContact O-N 3.38Å; H265-Y268 PolarHBondContact O-N 3.42Å; A266-Y268 VanDerWaalsContact C-N 3.33Å; A266-Y268 PolarHBondContact O-N 3.25Å; Y268-E270 PolarHBondContact O-N 2.81Å; Y268-I271 PolarHBondContact O-N 3.36Å; Y268-C272 PolarHBondContact O-N 3.41Å; Y268-C272 PolarHBondContact O-SG 3.12Å; Y268-V282 HydrophobicContact CE2-CG1 3.86Å; Y268-L325 HydrophobicContact CD1-CD2 3.42Å; Y268-L325 VanDerWaalsContact CD1-CD2 3.42Å; Y268-L325 HydrophobicContact CD2-CD2 4.43Å; Y268-L325 HydrophobicContact CE1-CD2 4.09Å; Y268-L325 HydrophobicContact CG-CD2 3.62Å
269Q98.1Very high97.5Very high82 Ų8253.3 Ų53.338%0.38327%0.267SS..Hα-helixtrans-63.8-41.8-178.1-69.2-63.8-67.800112.2H265 A266 C272 G273 F302 Y303H265-Q269 WeakPolarHBondContact O-CB 3.41Å; H265-Q269 VanDerWaalsContact O-CG 3.23Å; H265-Q269 WeakPolarHBondContact O-CG 3.27Å; H265-Q269 PolarHBondContact O-N 2.97Å; A266-Q269 PolarHBondContact O-N 3.26Å; Q269-C272 WeakPolarHBondContact O-CB 3.27Å; Q269-C272 PolarHBondContact O-N 3.2Å; Q269-G273 PolarHBondContact O-N 2.92Å; Q269-F302 HydrophobicContact CG-CE1 4.34Å; Q269-F302 HydrophobicContact CG-CZ 4.47Å; Q269-Y303 PolarHBondContact NE2-OH 3.07Å
270E98.3Very high97.6Very high83 Ų8353.2 Ų53.239%0.38827%0.267SS..Hα-helixtrans-66.4-40.7176.7-67.1-59.9151.400111.6I221 L234 A266 Y268 C272 G273 V274I221-E270 HydrophobicContact CD1-CB 3.56Å; L234-E270 HydrophobicContact CD1-CB 4.31Å; L234-E270 HydrophobicContact CD1-CG 4.28Å; L234-E270 HydrophobicContact CD2-CG 3.96Å; L234-E270 HydrophobicContact CG-CG 4.37Å; A266-E270 WeakPolarHBondContact O-CB 3.23Å; A266-E270 WeakPolarHBondContact O-CG 3.34Å; A266-E270 PolarHBondContact O-N 2.76Å; Y268-E270 PolarHBondContact O-N 2.81Å; E270-C272 VanDerWaalsContact C-N 3.32Å; E270-C272 PolarHBondContact O-N 3.18Å; E270-G273 PolarHBondContact O-N 3.3Å; E270-V274 WeakPolarHBondContact O-CG2 3.35Å; E270-V274 PolarHBondContact O-N 3.21Å
271I98.5Very high97.7Very high0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-61.5-42.9173.9-71.1165.6000110.7V205 I217 I221 V252 T254 V267 Y268 V274 A275V205-I271 HydrophobicContact CB-CD1 3.97Å; V205-I271 HydrophobicContact CB-CG2 3.92Å; V205-I271 HydrophobicContact CG1-CB 4.39Å; V205-I271 HydrophobicContact CG1-CG2 3.59Å; V205-I271 HydrophobicContact CG2-CD1 3.55Å; V205-I271 HydrophobicContact CG2-CG2 4.41Å; I217-I271 HydrophobicContact CG2-CG1 4.34Å; I217-I271 HydrophobicContact CG2-CG2 4.13Å; I221-I271 HydrophobicContact CD1-CG1 4.07Å; I221-I271 HydrophobicContact CG1-CG1 3.82Å; I221-I271 HydrophobicContact CG2-CG1 4.34Å; V252-I271 HydrophobicContact CB-CD1 4.15Å; V252-I271 HydrophobicContact CB-CG2 4.44Å; V252-I271 HydrophobicContact CG1-CD1 3.64Å; V252-I271 HydrophobicContact CG1-CG1 4.12Å; V252-I271 HydrophobicContact CG2-CG2 4.29Å; T254-I271 HydrophobicContact CG2-CD1 4.13Å; V267-I271 HydrophobicContact CG1-CD1 3.81Å; V267-I271 WeakPolarHBondContact O-CB 3.3Å; V267-I271 WeakPolarHBondContact O-CD1 3.29Å; V267-I271 VanDerWaalsContact O-CG1 3.28Å; V267-I271 WeakPolarHBondContact O-CG1 3.39Å; V267-I271 PolarHBondContact O-N 3.36Å; V267-I271 VanDerWaalsContact O-N 3.11Å; Y268-I271 PolarHBondContact O-N 3.36Å; I271-V274 PolarHBondContact O-N 3.49Å; I271-A275 WeakPolarHBondContact O-CB 3.49Å; I271-A275 PolarHBondContact O-N 2.92Å
272C98.2Very high97.9Very high16 Ų1647.6 Ų47.611%0.10825%0.246CC..Hα-helixtrans-58.7-46.9173.8-69.30000111.7Y268 Q269 E270 A275 E276 V282Y268-C272 PolarHBondContact O-N 3.41Å; Y268-C272 PolarHBondContact O-SG 3.12Å; Q269-C272 WeakPolarHBondContact O-CB 3.27Å; Q269-C272 PolarHBondContact O-N 3.2Å; E270-C272 VanDerWaalsContact C-N 3.32Å; E270-C272 PolarHBondContact O-N 3.18Å; C272-A275 PolarHBondContact O-N 3.34Å; C272-E276 WeakPolarHBondContact O-CB 3.48Å; C272-E276 WeakPolarHBondContact O-CG 3.43Å; C272-E276 PolarHBondContact O-N 3.27Å; C272-V282 HydrophobicContact CB-CG2 4.36Å
273G97.9Very high97.9Very high28 Ų2850 Ų5029%0.28926%0.26SS..Hα-helixtrans-58.9-49.8178.400000112.7Q269 E270 A275 E276 E277Q269-G273 PolarHBondContact O-N 2.92Å; E270-G273 PolarHBondContact O-N 3.3Å; G273-A275 VanDerWaalsContact C-N 3.34Å; G273-A275 PolarHBondContact O-N 3.43Å; G273-E276 PolarHBondContact O-N 3.15Å; G273-E277 PolarHBondContact O-N 3.32Å; G273-E277 VanDerWaalsContact O-N 3.14Å
274V97.6Very high97.9Very high13 Ų1348.7 Ų48.78%0.07925%0.254CS..Hα-helixtrans-66-36.9178.3-177.40000111.4I217 I221 L233 E270 I271 E277 L278I217-V274 HydrophobicContact CB-CG1 4.43Å; I217-V274 HydrophobicContact CG1-CG1 3.99Å; I217-V274 HydrophobicContact CG2-CB 4.24Å; I217-V274 HydrophobicContact CG2-CG1 4.18Å; I221-V274 HydrophobicContact CD1-CG2 4.07Å; L233-V274 HydrophobicContact CD1-CG2 4.19Å; E270-V274 WeakPolarHBondContact O-CG2 3.35Å; E270-V274 PolarHBondContact O-N 3.21Å; I271-V274 PolarHBondContact O-N 3.49Å; V274-E277 PolarHBondContact O-N 3.17Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.28Å
275A97.9Very high97.9Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-65.5-39.7175.800000112L207 I217 I271 C272 G273 L278 K279 L280 V282L207-A275 HydrophobicContact CD2-CB 4.1Å; I217-A275 HydrophobicContact CD1-CB 4.11Å; I271-A275 WeakPolarHBondContact O-CB 3.49Å; I271-A275 PolarHBondContact O-N 2.92Å; C272-A275 PolarHBondContact O-N 3.34Å; G273-A275 VanDerWaalsContact C-N 3.34Å; G273-A275 PolarHBondContact O-N 3.43Å; A275-L278 CarbonylContact O-C 3.54Å; A275-L278 WeakPolarHBondContact O-CA 3.25Å; A275-L278 PolarHBondContact O-N 3.14Å; A275-L278 VanDerWaalsContact O-N 3.12Å; A275-K279 PolarHBondContact O-N 2.87Å; A275-L280 HydrophobicContact CB-CB 4.34Å; A275-L280 PolarHBondContact O-N 2.91Å; A275-V282 HydrophobicContact CB-CG2 3.73Å
276E97.6Very high97.8Very high146 Ų14649.2 Ų49.268%0.68226%0.256SS*.Hα-helixtrans-61.8-41.6175.5-78.2177-169.700112.1C272 G273 L278 K279C272-E276 WeakPolarHBondContact O-CB 3.48Å; C272-E276 WeakPolarHBondContact O-CG 3.43Å; C272-E276 PolarHBondContact O-N 3.27Å; G273-E276 PolarHBondContact O-N 3.15Å; E276-L278 PolarHBondContact O-N 3.34Å; E276-K279 WeakPolarHBondContact O-CA 3.4Å; E276-K279 PolarHBondContact O-N 2.91Å
277E97.1Very high97.7Very high159 Ų15948.1 Ų48.174%0.74325%0.246SC*.Hα-helixtrans-59-34.8173.5-69.3-179.7-177.400112.3G273 V274 K279G273-E277 PolarHBondContact O-N 3.32Å; G273-E277 VanDerWaalsContact O-N 3.14Å; V274-E277 PolarHBondContact O-N 3.17Å; E277-K279 VanDerWaalsContact C-N 3.33Å
278L96.6Very high97.3Very high46 Ų4649.8 Ų49.824%0.24126%0.257CS..THydrogen-bonded Turntrans-86.6-1.1175.8-60.7179.8000113.6I217 V274 A275 E276 L280I217-L278 HydrophobicContact CD1-CD1 4.23Å; I217-L278 HydrophobicContact CG1-CD1 3.85Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.28Å; A275-L278 CarbonylContact O-C 3.54Å; A275-L278 WeakPolarHBondContact O-CA 3.25Å; A275-L278 PolarHBondContact O-N 3.14Å; A275-L278 VanDerWaalsContact O-N 3.12Å; E276-L278 PolarHBondContact O-N 3.34Å; L278-L280 VanDerWaalsContact C-N 3.29Å; L278-L280 HydrophobicContact CB-CD1 3.89Å; L278-L280 HydrophobicContact CB-CG 4Å; L278-L280 HydrophobicContact CD1-CD1 4.25Å; L278-L280 PolarHBondContact O-N 2.65Å
279K97.9Very high96.8Very high190 Ų19048.7 Ų48.783%0.82625%0.253SS*.THydrogen-bonded Turntrans57.538.7-175.9-53.4178.2-179.2179.20113.1A275 E276 E277A275-K279 PolarHBondContact O-N 2.87Å; E276-K279 WeakPolarHBondContact O-CA 3.4Å; E276-K279 PolarHBondContact O-N 2.91Å; E277-K279 VanDerWaalsContact C-N 3.33Å
280L97.3Very high96.5Very high20 Ų2045.1 Ų45.111%0.10524%0.237CC..  trans-105.5131.7177.9-63173.8000110Q213 I217 A275 L278Q213-L280 HydrophobicContact CB-CD1 3.74Å; Q213-L280 HydrophobicContact CG-CD1 4.19Å; I217-L280 HydrophobicContact CD1-CD1 4.22Å; A275-L280 HydrophobicContact CB-CB 4.34Å; A275-L280 PolarHBondContact O-N 2.91Å; L278-L280 VanDerWaalsContact C-N 3.29Å; L278-L280 HydrophobicContact CB-CD1 3.89Å; L278-L280 HydrophobicContact CB-CG 4Å; L278-L280 HydrophobicContact CD1-CD1 4.25Å; L278-L280 PolarHBondContact O-N 2.65Å
281P97.8Very high96.3Very high64 Ų6441.2 Ų41.242%0.41622%0.218SC..  trans-79.2129.8178.333.5-35.7000110.9L207 I208L207-P281 WeakPolarHBondContact CA-O 3.43Å; I208-P281 HydrophobicContact CB-CG 3.65Å; I208-P281 HydrophobicContact CD1-CG 4.05Å; I208-P281 HydrophobicContact CG1-CG 3.96Å; I208-P281 PolarHBondContact N-O 2.9Å; I208-P281 VanDerWaalsContact N-O 3.09Å
282V98.4Very high96.1Very high36 Ų3641.5 Ų41.522%0.21822%0.221CC..EExtended strand (participates in β ladder)trans-84.7131.5166-175.60000108.8V205 N206 L207 Y268 C272 A275V205-V282 HydrophobicContact CG1-CG1 3.49Å; V205-V282 VanDerWaalsContact CG1-CG1 3.49Å; N206-V282 CarbonylContact O-C 3.58Å; N206-V282 WeakPolarHBondContact O-CA 3.24Å; L207-V282 HydrophobicContact CD2-CB 4.34Å; L207-V282 HydrophobicContact CD2-CG2 3.68Å; Y268-V282 HydrophobicContact CE2-CG1 3.86Å; C272-V282 HydrophobicContact CB-CG2 4.36Å; A275-V282 HydrophobicContact CB-CG2 3.73Å
283V97.9Very high95.9Very high60 Ų6041.2 Ų41.236%0.36422%0.218SC..EExtended strand (participates in β ladder)trans-12549.1-174.4-65.20000111.8N206 I208 L249 S329N206-V283 HydrophobicContact CB-CG2 3.9Å; N206-V283 PolarHBondContact O-N 3.19Å; I208-V283 HydrophobicContact CD1-CG1 3.89Å; I208-V283 HydrophobicContact CG1-CG1 3.85Å; I208-V283 HydrophobicContact CG1-CG2 4.12Å; L249-V283 HydrophobicContact CD1-CG2 4.06Å; L249-V283 HydrophobicContact CD2-CG2 3.83Å; V283-S329 WeakPolarHBondContact O-CB 3.11Å
284G97.8Very high95.8Very high7 Ų743.7 Ų43.77%0.07222%0.221CC..EExtended strand (participates in β ladder)trans88.7-157.5179.100000113.1N206 L325N206-G284 WeakPolarHBondContact CB-O 3.12Å; N206-G284 PolarHBondContact N-O 3.33Å; G284-L325 CarbonylContact C-O 3.57Å; G284-L325 WeakPolarHBondContact CA-O 3.44Å
285S98.3Very high95.7Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-159.5178-174.361.40000111.9Y203 N204 L325 G326 L327 S329Y203-S285 VanDerWaalsContact CE2-CB 3.42Å; Y203-S285 VanDerWaalsContact CE2-OG 3.25Å; Y203-S285 WeakPolarHBondContact CE2-OG 3.39Å; Y203-S285 WeakPolarHBondContact OH-CB 3.43Å; Y203-S285 PolarHBondContact OH-OG 2.78Å; N204-S285 CarbonylContact O-C 3.51Å; N204-S285 WeakPolarHBondContact O-CA 3.24Å; N204-S285 WeakPolarHBondContact O-CB 3.26Å; S285-L325 WeakPolarHBondContact CB-O 3.44Å; S285-L325 PolarHBondContact N-O 2.86Å; S285-L325 PolarHBondContact OG-O 3.16Å; S285-G326 PolarHBondContact N-O 3.22Å; S285-L327 CarbonylContact O-C 3.49Å; S285-L327 WeakPolarHBondContact O-CA 3.13Å; S285-L327 WeakPolarHBondContact OG-CD2 3.27Å; S285-S329 PolarHBondContact N-OG 3.19Å; S285-S329 PolarHBondContact O-OG 3.08Å
286Q96Very high95.7Very high34 Ų3443.2 Ų43.216%0.15922%0.218CC..EExtended strand (participates in β ladder)trans-144.6134.7-180177.8-176.13500109.4N204 L330N204-Q286 PolarHBondContact N-O 2.88Å; N204-Q286 PolarHBondContact O-N 3.22Å; Q286-L330 HydrophobicContact CB-CD1 4.19Å
287I95.3Very high95.7Very high1 Ų138 Ų381%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-84.7138.1160.9-61.7-68.5000107.6I201 Y203 L264 I291 L327 F333 R338I201-I287 HydrophobicContact CG2-CD1 3.58Å; Y203-I287 HydrophobicContact CD2-CD1 3.57Å; Y203-I287 HydrophobicContact CD2-CG1 4.43Å; Y203-I287 HydrophobicContact CE2-CD1 4.25Å; Y203-I287 HydrophobicContact CG-CD1 4.35Å; L264-I287 HydrophobicContact CD1-CD1 4.16Å; I287-I291 HydrophobicContact CD1-CD1 3.87Å; I287-I291 HydrophobicContact CG1-CD1 4.35Å; I287-I291 HydrophobicContact CG2-CB 4.22Å; I287-L327 HydrophobicContact CG1-CD1 4.5Å; I287-L327 HydrophobicContact CG1-CD2 4.11Å; I287-F333 HydrophobicContact CB-CE2 4.34Å; I287-F333 HydrophobicContact CG1-CE2 4.23Å; I287-R338 PolarHBondContact O-NH2 2.83Å
288V90.4Very high95.8Very high35 Ų3532.9 Ų32.921%0.21217%0.172CC..EExtended strand (participates in β ladder)trans-104.3126.6170.1178.40000107.6D57 V66 A202 N204D57-V288 WeakPolarHBondContact OD2-CA 3.43Å; D57-V288 WeakPolarHBondContact OD2-CG1 3.25Å; V66-V288 HydrophobicContact CG2-CG1 4.36Å; A202-V288 HydrophobicContact CB-CB 3.85Å; A202-V288 PolarHBondContact O-N 2.86Å; N204-V288 VanDerWaalsContact ND2-CG2 3.32Å; N204-V288 WeakPolarHBondContact ND2-CG2 3.48Å
289G88.8Confident95.9Very high3 Ų330.7 Ų30.73%0.03116%0.161CC..SBendtrans70.1-141.3-171.200000113.8D55 D57 R338D55-G289 WeakPolarHBondContact OD2-CA 3.24Å; D57-G289 PolarHBondContact OD2-N 2.77Å; G289-R338 PolarHBondContact O-NE 3.49Å; G289-R338 PolarHBondContact O-NH2 3.01Å
290L91.3Very high95.9Very high7 Ų721.7 Ų21.74%0.03712%0.121CC..  trans-96.9162.3-174.8-55.9-172.7000113.5L54 D55 T68 F199 R338 I340 M343L54-L290 HydrophobicContact CB-CD1 4.03Å; L54-L290 HydrophobicContact CD1-CD1 3.65Å; D55-L290 HydrophobicContact CB-CD2 3.97Å; D55-L290 HydrophobicContact CB-CG 4.47Å; T68-L290 HydrophobicContact CG2-CD1 3.4Å; T68-L290 HydrophobicContact CG2-CG 3.82Å; F199-L290 HydrophobicContact CZ-CB 4.29Å; L290-R338 CarbonylContact C-O 3.52Å; L290-R338 VanDerWaalsContact CA-O 3.3Å; L290-R338 WeakPolarHBondContact CA-O 3.45Å; L290-I340 HydrophobicContact CD1-CB 4.27Å; L290-I340 HydrophobicContact CD1-CG1 4.38Å; L290-M343 HydrophobicContact CD1-SD 4.07Å; L290-M343 HydrophobicContact CD2-CE 4.37Å; L290-M343 HydrophobicContact CD2-SD 3.58Å; L290-M343 VanDerWaalsContact CD2-SD 3.58Å
291I94.3Very high95.9Very high0 Ų024.2 Ų24.20%014%0.135CC..BIsolated β-bridgetrans-135.4143175.9-177.4167000111.3I201 L264 I287 A295 L296 F333 R338 I339 I340I201-I291 HydrophobicContact CD1-CD1 4.23Å; I201-I291 HydrophobicContact CD1-CG1 4.11Å; I201-I291 HydrophobicContact CG1-CG1 4.49Å; I201-I291 HydrophobicContact CG2-CD1 4.27Å; I201-I291 HydrophobicContact CG2-CG1 4.44Å; L264-I291 HydrophobicContact CD2-CD1 3.78Å; I287-I291 HydrophobicContact CD1-CD1 3.87Å; I287-I291 HydrophobicContact CG1-CD1 4.35Å; I287-I291 HydrophobicContact CG2-CB 4.22Å; I291-A295 HydrophobicContact CD1-CB 4.12Å; I291-A295 HydrophobicContact CG1-CB 4.08Å; I291-L296 HydrophobicContact CD1-CD2 3.8Å; I291-L296 HydrophobicContact CD1-CG 3.81Å; I291-L296 HydrophobicContact CG1-CG 4.36Å; I291-L296 HydrophobicContact CG2-CD1 4.03Å; I291-L296 HydrophobicContact CG2-CG 4.46Å; I291-F333 HydrophobicContact CG2-CE2 4.44Å; I291-F333 HydrophobicContact CG2-CZ 3.98Å; I291-R338 WeakPolarHBondContact CG2-O 3.31Å; I291-R338 PolarHBondContact N-O 2.95Å; I291-I339 HydrophobicContact CG2-CG1 4.22Å; I291-I339 WeakPolarHBondContact O-CA 3.39Å; I291-I340 PolarHBondContact O-N 2.89Å
292P93.6Very high95.9Very high7 Ų724.3 Ų24.35%0.04513%0.129CC..  trans-71.6138.2171.4-17.734.8000111F199 F259 K294 A295F199-P292 HydrophobicContact CB-CG 4.25Å; F199-P292 HydrophobicContact CD1-CG 3.35Å; F199-P292 HydrophobicContact CD2-CG 4Å; F199-P292 HydrophobicContact CE1-CG 3.64Å; F199-P292 HydrophobicContact CE2-CG 4.2Å; F199-P292 HydrophobicContact CG-CG 3.57Å; F199-P292 HydrophobicContact CZ-CG 4.04Å; F259-P292 HydrophobicContact CD1-CG 4.41Å; F259-P292 HydrophobicContact CE1-CB 4.25Å; F259-P292 HydrophobicContact CE1-CG 3.82Å; F259-P292 HydrophobicContact CZ-CB 4.12Å; F259-P292 HydrophobicContact CZ-CG 4.2Å; P292-K294 PolarHBondContact O-N 3.31Å; P292-A295 WeakPolarHBondContact O-CB 3.41Å; P292-A295 PolarHBondContact O-N 2.93Å
293L94.5Very high95.9Very high9 Ų923 Ų235%0.04712%0.12CC..Hα-helixtrans-53.3-42177.3178.958.7000111A295 L296 L297 E314 V318 I339 E341 Y342L293-A295 VanDerWaalsContact C-N 3.26Å; L293-A295 PolarHBondContact O-N 3.34Å; L293-L296 WeakPolarHBondContact O-CB 3.38Å; L293-L296 PolarHBondContact O-N 3.49Å; L293-L297 HydrophobicContact CD1-CD1 4.21Å; L293-L297 HydrophobicContact CD1-CD2 4.23Å; L293-L297 HydrophobicContact CD1-CG 4Å; L293-L297 HydrophobicContact CD2-CD1 4.25Å; L293-L297 HydrophobicContact CG-CD1 3.81Å; L293-L297 HydrophobicContact CG-CG 4.02Å; L293-L297 WeakPolarHBondContact O-CG 3.33Å; L293-L297 PolarHBondContact O-N 3.34Å; L293-E314 HydrophobicContact CD1-CG 4.45Å; L293-V318 HydrophobicContact CD1-CG2 4.02Å; L293-I339 HydrophobicContact CB-CG2 3.64Å; L293-I339 HydrophobicContact CD1-CD1 4.16Å; L293-I339 HydrophobicContact CD1-CG2 4.22Å; L293-I339 HydrophobicContact CG-CG2 4.45Å; L293-E341 HydrophobicContact CB-CB 4.41Å; L293-E341 HydrophobicContact CB-CG 4.37Å; L293-E341 WeakPolarHBondContact CB-OE2 3.34Å; L293-E341 VanDerWaalsContact N-CD 3.31Å; L293-E341 PolarHBondContact N-OE1 3.34Å; L293-E341 VanDerWaalsContact N-OE1 3.16Å; L293-E341 PolarHBondContact N-OE2 3.31Å; L293-Y342 HydrophobicContact CD1-CE1 4.03Å; L293-Y342 HydrophobicContact CD2-CD1 4.46Å; L293-Y342 HydrophobicContact CD2-CE1 3.73Å; L293-Y342 HydrophobicContact CG-CE1 4.46Å
294K94.8Very high95.9Very high81 Ų8121.4 Ų21.435%0.35211%0.109SC..Hα-helixtrans-54.2-41178.4-175.1178.8177.5-67.70112.6F259 E260 P292 L296 L297 D298F259-K294 HydrophobicContact CE2-CB 4.1Å; F259-K294 HydrophobicContact CE2-CD 4.06Å; F259-K294 HydrophobicContact CE2-CG 4.02Å; F259-K294 HydrophobicContact CZ-CB 4.4Å; F259-K294 HydrophobicContact CZ-CD 4.41Å; E260-K294 VanDerWaalsContact OE1-CE 3.3Å; E260-K294 WeakPolarHBondContact OE1-CE 3.48Å; E260-K294 IonicContact OE1-NZ 2.71Å; E260-K294 PolarHBondContact OE1-NZ 3.21Å; P292-K294 PolarHBondContact O-N 3.31Å; K294-L296 VanDerWaalsContact C-N 3.29Å; K294-L296 PolarHBondContact O-N 2.92Å; K294-L297 PolarHBondContact O-N 3.11Å; K294-D298 IonicContact NZ-OD1 3.71Å; K294-D298 IonicContact NZ-OD2 2.76Å; K294-D298 PolarHBondContact NZ-OD2 3.05Å; K294-D298 WeakPolarHBondContact O-CB 3.4Å; K294-D298 PolarHBondContact O-N 3.42Å
295A96.9Very high95.8Very high2 Ų229.7 Ų29.72%0.01714%0.143CC..Hα-helixtrans-64-35.7-179.900000112.5I201 F259 I291 P292 L293 A299I201-A295 HydrophobicContact CD1-CB 3.49Å; I201-A295 VanDerWaalsContact CD1-CB 3.49Å; F259-A295 HydrophobicContact CB-CB 4.42Å; F259-A295 HydrophobicContact CD2-CB 3.64Å; F259-A295 HydrophobicContact CE2-CB 4.02Å; F259-A295 HydrophobicContact CG-CB 3.99Å; I291-A295 HydrophobicContact CD1-CB 4.12Å; I291-A295 HydrophobicContact CG1-CB 4.08Å; P292-A295 WeakPolarHBondContact O-CB 3.41Å; P292-A295 PolarHBondContact O-N 2.93Å; L293-A295 VanDerWaalsContact C-N 3.26Å; L293-A295 PolarHBondContact O-N 3.34Å; A295-A299 PolarHBondContact O-N 3.25Å
296L98.1Very high95.8Very high0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-72.7-43.6173.2-66.5170.7000111.1L264 I291 L293 K294 A299 A300 V318 V321 L327 F333 I339L264-L296 HydrophobicContact CD2-CD2 4.17Å; I291-L296 HydrophobicContact CD1-CD2 3.8Å; I291-L296 HydrophobicContact CD1-CG 3.81Å; I291-L296 HydrophobicContact CG1-CG 4.36Å; I291-L296 HydrophobicContact CG2-CD1 4.03Å; I291-L296 HydrophobicContact CG2-CG 4.46Å; L293-L296 WeakPolarHBondContact O-CB 3.38Å; L293-L296 PolarHBondContact O-N 3.49Å; K294-L296 VanDerWaalsContact C-N 3.29Å; K294-L296 PolarHBondContact O-N 2.92Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 3.06Å; L296-A300 PolarHBondContact O-N 3.03Å; L296-V318 HydrophobicContact CD1-CG1 4.36Å; L296-V321 HydrophobicContact CD2-CB 4.4Å; L296-V321 HydrophobicContact CD2-CG1 3.64Å; L296-V321 WeakPolarHBondContact O-CG2 3.34Å; L296-L327 HydrophobicContact CD2-CD1 3.89Å; L296-F333 HydrophobicContact CD1-CZ 4.37Å; L296-I339 HydrophobicContact CD1-CD1 3.44Å; L296-I339 VanDerWaalsContact CD1-CD1 3.44Å; L296-I339 HydrophobicContact CD1-CG1 3.71Å
297L97.6Very high95.8Very high37 Ų3735.6 Ų35.619%0.19418%0.176CC..Hα-helixtrans-65.3-40.6-179.9-63.1-176.8000112.5L293 K294 A299 A300 D301 E314 K317L293-L297 HydrophobicContact CD1-CD1 4.21Å; L293-L297 HydrophobicContact CD1-CD2 4.23Å; L293-L297 HydrophobicContact CD1-CG 4Å; L293-L297 HydrophobicContact CD2-CD1 4.25Å; L293-L297 HydrophobicContact CG-CD1 3.81Å; L293-L297 HydrophobicContact CG-CG 4.02Å; L293-L297 WeakPolarHBondContact O-CG 3.33Å; L293-L297 PolarHBondContact O-N 3.34Å; K294-L297 PolarHBondContact O-N 3.11Å; L297-A299 VanDerWaalsContact C-N 3.27Å; L297-A299 PolarHBondContact O-N 3.43Å; L297-A300 WeakPolarHBondContact O-CB 3.44Å; L297-A300 PolarHBondContact O-N 2.78Å; L297-A300 VanDerWaalsContact O-N 3.1Å; L297-D301 PolarHBondContact O-N 2.99Å; L297-E314 HydrophobicContact CD2-CG 4.02Å; L297-K317 HydrophobicContact CD2-CB 4.08Å; L297-K317 HydrophobicContact CD2-CD 4.16Å
298D97.9Very high95.9Very high52 Ų5243.2 Ų43.228%0.27821%0.212SC..Hα-helixtrans-61-37.9174.3-69.7-16.9000110.9K294 F302K294-D298 IonicContact NZ-OD1 3.71Å; K294-D298 IonicContact NZ-OD2 2.76Å; K294-D298 PolarHBondContact NZ-OD2 3.05Å; K294-D298 WeakPolarHBondContact O-CB 3.4Å; K294-D298 PolarHBondContact O-N 3.42Å; D298-F302 PolarHBondContact O-N 2.99Å
299A98.3Very high96.1Very high0 Ų044.5 Ų44.50%022%0.217CC..Hα-helixtrans-69.4-38172.600000113.1H265 A295 L296 L297 F302 Y303 V321H265-A299 HydrophobicContact CB-CB 4.02Å; H265-A299 WeakPolarHBondContact ND1-CA 3.47Å; A295-A299 PolarHBondContact O-N 3.25Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 3.06Å; L297-A299 VanDerWaalsContact C-N 3.27Å; L297-A299 PolarHBondContact O-N 3.43Å; A299-F302 WeakPolarHBondContact O-CB 3.19Å; A299-F302 PolarHBondContact O-N 2.92Å; A299-Y303 WeakPolarHBondContact O-CD2 3.38Å; A299-Y303 PolarHBondContact O-N 3.36Å; A299-Y303 VanDerWaalsContact O-N 3.11Å; A299-V321 HydrophobicContact CB-CG1 3.96Å; A299-V321 HydrophobicContact CB-CG2 3.98Å
300A98.4Very high96.5Very high0 Ų046.1 Ų46.10%022%0.224CC..Hα-helixtrans-63.2-45.5176.500000110.7L296 L297 F302 Y303 M304 K317 V321L296-A300 PolarHBondContact O-N 3.03Å; L297-A300 WeakPolarHBondContact O-CB 3.44Å; L297-A300 PolarHBondContact O-N 2.78Å; L297-A300 VanDerWaalsContact O-N 3.1Å; A300-F302 VanDerWaalsContact C-N 3.3Å; A300-F302 PolarHBondContact O-N 2.94Å; A300-Y303 PolarHBondContact O-N 2.85Å; A300-M304 WeakPolarHBondContact O-CB 3.46Å; A300-M304 WeakPolarHBondContact O-CG 3.43Å; A300-M304 PolarHBondContact O-N 3.21Å; A300-K317 HydrophobicContact CB-CB 3.69Å; A300-K317 HydrophobicContact CB-CD 4.36Å; A300-K317 HydrophobicContact CB-CG 4.23Å; A300-V321 VanDerWaalsContact CA-CG2 3.42Å; A300-V321 HydrophobicContact CB-CG2 3.58Å; A300-V321 VanDerWaalsContact N-CG2 3.26Å
301D97.5Very high96.8Very high74 Ų7447.4 Ų47.440%0.39623%0.23SC..Hα-helixtrans-63.8-35.8179-72.1-13.6000111.6L297 K305 K317L297-D301 PolarHBondContact O-N 2.99Å; D301-K305 VanDerWaalsContact O-CB 3.31Å; D301-K305 WeakPolarHBondContact O-CB 3.49Å; D301-K305 PolarHBondContact O-N 3.35Å; D301-K317 IonicContact OD1-NZ 3.36Å; D301-K317 PolarHBondContact OD1-NZ 3.05Å
302F98.3Very high96.8Very high65 Ų6548.9 Ų48.929%0.28524%0.238SC..Hα-helixtrans-58.4-56.5170.5169.5-96.8000111.7H265 Q269 D298 A299 A300 M304 K305 T306H265-F302 HydrophobicContact CB-CD1 4.01Å; H265-F302 HydrophobicContact CB-CE1 4.45Å; H265-F302 AromaticContact CD2-CD1 3.46Å; H265-F302 VanDerWaalsContact CD2-CD1 3.46Å; H265-F302 WeakPolarHBondContact CD2-CD1 3.5Å; H265-F302 AromaticContact CD2-CD2 3.51Å; H265-F302 AromaticContact CD2-CE1 3.87Å; H265-F302 AromaticContact CD2-CE2 3.9Å; H265-F302 AromaticContact CD2-CG 3.27Å; H265-F302 WeakPolarHBondContact CD2-CG 3.5Å; H265-F302 AromaticContact CE1-CG 3.98Å; H265-F302 AromaticContact CG-CD1 3.77Å; H265-F302 AromaticContact CG-CG 3.8Å; H265-F302 AromaticContact NE2-CD2 3.44Å; H265-F302 WeakPolarHBondContact NE2-CD2 3.26Å; H265-F302 AromaticContact NE2-CG 3.43Å; H265-F302 WeakPolarHBondContact NE2-CG 3.31Å; Q269-F302 HydrophobicContact CG-CE1 4.34Å; Q269-F302 HydrophobicContact CG-CZ 4.47Å; D298-F302 PolarHBondContact O-N 2.99Å; A299-F302 WeakPolarHBondContact O-CB 3.19Å; A299-F302 PolarHBondContact O-N 2.92Å; A300-F302 VanDerWaalsContact C-N 3.3Å; A300-F302 PolarHBondContact O-N 2.94Å; F302-M304 VanDerWaalsContact C-N 3.34Å; F302-M304 PolarHBondContact O-N 2.84Å; F302-K305 PolarHBondContact O-N 3.27Å; F302-K305 VanDerWaalsContact O-N 3.17Å; F302-T306 HydrophobicContact CD2-CG2 4.15Å; F302-T306 HydrophobicContact CE1-CG2 4.27Å; F302-T306 HydrophobicContact CE2-CG2 3.76Å; F302-T306 HydrophobicContact CZ-CG2 3.83Å; F302-T306 WeakPolarHBondContact O-CG2 3.27Å; F302-T306 PolarHBondContact O-N 2.81Å; F302-T306 PolarHBondContact O-OG1 3.03Å; F302-T306 VanDerWaalsContact O-OG1 3.08Å
303Y98.3Very high96.8Very high9 Ų952.5 Ų52.54%0.03525%0.254CS..Hα-helixtrans-65-37-178.3-75.7-66000112.5H265 Q269 A299 A300 K305 T306 E307 K324 L325H265-Y303 HydrophobicContact CB-CE2 4Å; Q269-Y303 PolarHBondContact NE2-OH 3.07Å; A299-Y303 WeakPolarHBondContact O-CD2 3.38Å; A299-Y303 PolarHBondContact O-N 3.36Å; A299-Y303 VanDerWaalsContact O-N 3.11Å; A300-Y303 PolarHBondContact O-N 2.85Å; Y303-K305 VanDerWaalsContact C-N 3.3Å; Y303-K305 PolarHBondContact O-N 2.62Å; Y303-T306 WeakPolarHBondContact CA-OG1 3.29Å; Y303-T306 PolarHBondContact O-OG1 2.84Å; Y303-E307 VanDerWaalsContact O-CB 3.3Å; Y303-E307 WeakPolarHBondContact O-CB 3.37Å; Y303-E307 PolarHBondContact O-N 3.22Å; Y303-K324 HydrophobicContact CD1-CB 4.34Å; Y303-K324 HydrophobicContact CD1-CD 3.95Å; Y303-K324 HydrophobicContact CD1-CG 4.05Å; Y303-K324 HydrophobicContact CD2-CB 3.88Å; Y303-K324 HydrophobicContact CD2-CG 4.02Å; Y303-K324 HydrophobicContact CE1-CB 4.17Å; Y303-K324 HydrophobicContact CE1-CD 4.18Å; Y303-K324 HydrophobicContact CE1-CG 4.34Å; Y303-K324 HydrophobicContact CE2-CB 3.7Å; Y303-K324 HydrophobicContact CE2-CG 4.31Å; Y303-K324 HydrophobicContact CG-CB 4.22Å; Y303-K324 HydrophobicContact CG-CD 4.29Å; Y303-K324 HydrophobicContact CG-CG 3.91Å; Y303-L325 HydrophobicContact CE2-CD2 3.92Å; Y303-L325 HydrophobicContact CE2-CG 4.47Å; Y303-L325 WeakPolarHBondContact OH-CD2 3.21Å
304M97.6Very high96.8Very high27 Ų2755.3 Ų55.313%0.13327%0.267CS..Hα-helixtrans-61.7-40.1174.4-74171.651.200111.8A300 F302 Q308 L309 I311 K317 L320A300-M304 WeakPolarHBondContact O-CB 3.46Å; A300-M304 WeakPolarHBondContact O-CG 3.43Å; A300-M304 PolarHBondContact O-N 3.21Å; F302-M304 VanDerWaalsContact C-N 3.34Å; F302-M304 PolarHBondContact O-N 2.84Å; M304-Q308 CarbonylContact O-C 3.46Å; M304-Q308 VanDerWaalsContact O-CA 3.3Å; M304-Q308 WeakPolarHBondContact O-CA 3.43Å; M304-Q308 PolarHBondContact O-N 3.2Å; M304-L309 HydrophobicContact CB-CB 4.41Å; M304-L309 HydrophobicContact CG-CB 4.23Å; M304-L309 PolarHBondContact O-N 3.37Å; M304-I311 HydrophobicContact CE-CB 4.31Å; M304-I311 VanDerWaalsContact CE-O 3.24Å; M304-I311 WeakPolarHBondContact CE-O 3.44Å; M304-I311 HydrophobicContact SD-CB 3.94Å; M304-K317 HydrophobicContact SD-CD 4.24Å; M304-K317 HydrophobicContact SD-CG 4.07Å; M304-L320 HydrophobicContact CG-CD2 3.87Å
305K96.7Very high96.8Very high180 Ų18057.4 Ų57.478%0.78328%0.278SS*.Hα-helixtrans-70.9-47.2177.8-177.3-179.5176.8-176.50112.1D301 F302 Y303D301-K305 VanDerWaalsContact O-CB 3.31Å; D301-K305 WeakPolarHBondContact O-CB 3.49Å; D301-K305 PolarHBondContact O-N 3.35Å; F302-K305 PolarHBondContact O-N 3.27Å; F302-K305 VanDerWaalsContact O-N 3.17Å; Y303-K305 VanDerWaalsContact C-N 3.3Å; Y303-K305 PolarHBondContact O-N 2.62Å
306T96.9Very high96.9Very high79 Ų7961.4 Ų61.449%0.48530%0.296SS..Hα-helixtrans-68.4-35.6-176.951.30000112.2F302 Y303F302-T306 HydrophobicContact CD2-CG2 4.15Å; F302-T306 HydrophobicContact CE1-CG2 4.27Å; F302-T306 HydrophobicContact CE2-CG2 3.76Å; F302-T306 HydrophobicContact CZ-CG2 3.83Å; F302-T306 WeakPolarHBondContact O-CG2 3.27Å; F302-T306 PolarHBondContact O-N 2.81Å; F302-T306 PolarHBondContact O-OG1 3.03Å; F302-T306 VanDerWaalsContact O-OG1 3.08Å; Y303-T306 WeakPolarHBondContact CA-OG1 3.29Å; Y303-T306 PolarHBondContact O-OG1 2.84Å
307E97.3Very high96.9Very high79 Ų7963.3 Ų63.337%0.36931%0.305SS..THydrogen-bonded Turntrans-100.95.9-178.3-59.9179.6-154.500113.6Y303 L309 K324Y303-E307 VanDerWaalsContact O-CB 3.3Å; Y303-E307 WeakPolarHBondContact O-CB 3.37Å; Y303-E307 PolarHBondContact O-N 3.22Å; E307-L309 HydrophobicContact CB-CD1 4.12Å; E307-L309 HydrophobicContact CB-CD2 4.22Å; E307-L309 HydrophobicContact CB-CG 3.82Å; E307-L309 PolarHBondContact O-N 3.21Å; E307-K324 WeakPolarHBondContact OE1-CE 3.43Å; E307-K324 IonicContact OE1-NZ 3.65Å; E307-K324 PolarHBondContact OE1-NZ 2.98Å; E307-K324 VanDerWaalsContact OE2-CE 3.27Å; E307-K324 WeakPolarHBondContact OE2-CE 3.26Å; E307-K324 IonicContact OE2-NZ 3.07Å; E307-K324 PolarHBondContact OE2-NZ 3.01Å
308Q95.4Very high96.9Very high161 Ų16161.7 Ų61.775%0.75230%0.296SS*.THydrogen-bonded Turntrans55.737.6178.1-54.5-176.9-7.400113.6M304 R409M304-Q308 CarbonylContact O-C 3.46Å; M304-Q308 VanDerWaalsContact O-CA 3.3Å; M304-Q308 WeakPolarHBondContact O-CA 3.43Å; M304-Q308 PolarHBondContact O-N 3.2Å; Q308-R409 PolarHBondContact O-NH1 3.12Å
309L96.4Very high96.9Very high62 Ų6265.7 Ų65.733%0.32531%0.307SS..  trans-82.5160.3179.1-51175.4000111.1M304 E307 L320M304-L309 HydrophobicContact CB-CB 4.41Å; M304-L309 HydrophobicContact CG-CB 4.23Å; M304-L309 PolarHBondContact O-N 3.37Å; E307-L309 HydrophobicContact CB-CD1 4.12Å; E307-L309 HydrophobicContact CB-CD2 4.22Å; E307-L309 HydrophobicContact CB-CG 3.82Å; E307-L309 PolarHBondContact O-N 3.21Å; L309-L320 HydrophobicContact CD1-CD1 3.91Å; L309-L320 HydrophobicContact CD1-CD2 3.99Å
310F96.7Very high97Very high37 Ų3766.8 Ų66.816%0.16231%0.313CS..  trans-130.4103.9171.7-178.8-111.2000109.6I312 Y396 R409 I412 P413F310-I312 HydrophobicContact CD1-CG1 4.41Å; F310-I312 HydrophobicContact CE1-CD1 3.61Å; F310-I312 HydrophobicContact CE1-CG1 3.78Å; F310-I312 HydrophobicContact CE2-CD1 4.39Å; F310-I312 HydrophobicContact CE2-CG1 4.12Å; F310-I312 HydrophobicContact CZ-CD1 3.46Å; F310-I312 VanDerWaalsContact CZ-CD1 3.46Å; F310-I312 HydrophobicContact CZ-CG1 3.61Å; F310-Y396 HydrophobicContact CD1-CD1 4.33Å; F310-Y396 HydrophobicContact CD1-CD2 4.28Å; F310-Y396 AromaticContact CD1-CE1 3.69Å; F310-Y396 HydrophobicContact CD1-CE1 3.69Å; F310-Y396 AromaticContact CD1-CE2 3.62Å; F310-Y396 HydrophobicContact CD1-CE2 3.62Å; F310-Y396 AromaticContact CD1-CZ 3.31Å; F310-Y396 WeakPolarHBondContact CD1-OH 3.33Å; F310-Y396 HydrophobicContact CE1-CD1 4.17Å; F310-Y396 HydrophobicContact CE1-CD2 4.17Å; F310-Y396 AromaticContact CE1-CE1 3.98Å; F310-Y396 HydrophobicContact CE1-CE1 3.98Å; F310-Y396 AromaticContact CE1-CE2 3.97Å; F310-Y396 HydrophobicContact CE1-CE2 3.97Å; F310-Y396 HydrophobicContact CE1-CG 4.28Å; F310-Y396 AromaticContact CE1-CZ 3.91Å; F310-Y396 HydrophobicContact CG-CE2 4.39Å; F310-R409 HydrophobicContact CB-CG 4.01Å; F310-R409 HydrophobicContact CD1-CG 4.07Å; F310-R409 HydrophobicContact CD2-CB 3.86Å; F310-R409 HydrophobicContact CD2-CG 3.65Å; F310-R409 HydrophobicContact CE1-CG 4.38Å; F310-R409 HydrophobicContact CE2-CB 3.92Å; F310-R409 HydrophobicContact CE2-CG 4.04Å; F310-R409 WeakPolarHBondContact CE2-O 3Å; F310-R409 HydrophobicContact CG-CB 4.37Å; F310-R409 HydrophobicContact CG-CG 3.65Å; F310-R409 HydrophobicContact CZ-CB 4.44Å; F310-R409 HydrophobicContact CZ-CG 4.36Å; F310-I412 HydrophobicContact CE1-CD1 4.08Å; F310-I412 HydrophobicContact CZ-CB 4.25Å; F310-I412 HydrophobicContact CZ-CD1 4.02Å; F310-P413 HydrophobicContact CE2-CG 3.87Å; F310-P413 HydrophobicContact CZ-CG 4.36Å
311I96.7Very high97Very high35 Ų3566.8 Ų66.818%0.17931%0.313CS..  trans-130.1124.3-179.6-54.3-178000107.2M304 H316 K317 L320M304-I311 HydrophobicContact CE-CB 4.31Å; M304-I311 VanDerWaalsContact CE-O 3.24Å; M304-I311 WeakPolarHBondContact CE-O 3.44Å; M304-I311 HydrophobicContact SD-CB 3.94Å; I311-H316 HydrophobicContact CG2-CB 3.38Å; I311-K317 HydrophobicContact CB-CG 4.37Å; I311-K317 HydrophobicContact CG2-CG 3.91Å; I311-K317 WeakPolarHBondContact O-CE 3.37Å; I311-L320 HydrophobicContact CD1-CB 4.05Å; I311-L320 HydrophobicContact CD1-CD2 3.79Å; I311-L320 HydrophobicContact CD1-CG 4.34Å
312I93.8Very high97Very high31 Ų3164.1 Ų64.116%0.15930%0.298CS..  trans-100.5-52.3-176.9-54.1-177.6000110.1F310 E314 I412 H416F310-I312 HydrophobicContact CD1-CG1 4.41Å; F310-I312 HydrophobicContact CE1-CD1 3.61Å; F310-I312 HydrophobicContact CE1-CG1 3.78Å; F310-I312 HydrophobicContact CE2-CD1 4.39Å; F310-I312 HydrophobicContact CE2-CG1 4.12Å; F310-I312 HydrophobicContact CZ-CD1 3.46Å; F310-I312 VanDerWaalsContact CZ-CD1 3.46Å; F310-I312 HydrophobicContact CZ-CG1 3.61Å; I312-E314 PolarHBondContact O-N 3.11Å; I312-I412 HydrophobicContact CD1-CB 4.14Å; I312-I412 HydrophobicContact CD1-CG2 3.4Å; I312-H416 HydrophobicContact CG2-CB 3.82Å; I312-H416 VanDerWaalsContact CG2-CD2 3.44Å; I312-H416 WeakPolarHBondContact CG2-CD2 3.47Å; I312-H416 WeakPolarHBondContact CG2-ND1 3.48Å
313E94.3Very high97Very high82 Ų8265.2 Ų65.238%0.38332%0.315SS..SBendtrans-64.6129.9-174.2-60.1-53.1143.900112.2E315 H316 K317 H416E313-E315 VanDerWaalsContact C-N 3.27Å; E313-E315 PolarHBondContact O-N 3.37Å; E313-H316 HydrophobicContact CB-CB 4.34Å; E313-H316 WeakPolarHBondContact O-CB 3.33Å; E313-H316 PolarHBondContact O-N 3.09Å; E313-K317 PolarHBondContact O-N 2.94Å; E313-H416 IonicContact OE1-CD2 2.75Å; E313-H416 IonicContact OE1-NE2 3.34Å; E313-H416 PolarHBondContact OE1-NE2 2.94Å; E313-H416 VanDerWaalsContact OE1-NE2 3.07Å; E313-H416 IonicContact OE2-CE1 3.39Å; E313-H416 IonicContact OE2-NE2 3Å; E313-H416 PolarHBondContact OE2-NE2 3.1Å
314E94.8Very high97Very high68 Ų6868 Ų6832%0.31833%0.327SS..Hα-helixtrans-55.3-42.3-179.4-172.6176.78800111.5L293 L297 I312 H316 K317 V318 Y342L293-E314 HydrophobicContact CD1-CG 4.45Å; L297-E314 HydrophobicContact CD2-CG 4.02Å; I312-E314 PolarHBondContact O-N 3.11Å; E314-H316 VanDerWaalsContact C-N 3.29Å; E314-H316 PolarHBondContact O-N 3.05Å; E314-K317 WeakPolarHBondContact O-CB 3.37Å; E314-K317 PolarHBondContact O-N 3.21Å; E314-K317 VanDerWaalsContact O-N 3.16Å; E314-V318 WeakPolarHBondContact O-CG2 3.39Å; E314-V318 PolarHBondContact O-N 3.36Å; E314-Y342 WeakPolarHBondContact CG-OH 3.34Å; E314-Y342 VanDerWaalsContact OE1-CE1 3.29Å; E314-Y342 WeakPolarHBondContact OE1-CE1 3.43Å; E314-Y342 PolarHBondContact OE1-OH 2.8Å
315E95.8Very high97Very high125 Ų12566.7 Ų66.758%0.58432%0.32SS*.Hα-helixtrans-59.7-40.2177-170.1-170153.500112E313 V318 R319E313-E315 VanDerWaalsContact C-N 3.27Å; E313-E315 PolarHBondContact O-N 3.37Å; E315-V318 PolarHBondContact O-N 3.17Å; E315-R319 WeakPolarHBondContact O-CB 3.25Å; E315-R319 PolarHBondContact O-N 3.34Å; E315-R319 IonicContact OE1-CZ 2.8Å; E315-R319 IonicContact OE1-NH2 3.88Å; E315-R319 PolarHBondContact OE1-NH2 3.06Å
316H97.8Very high97.1Very high87 Ų8758.8 Ų58.840%0.40329%0.29SS..Hα-helixtrans-72.4-34.2178.3-66.6166.6000111.9I311 E313 E314 R319 L320I311-H316 HydrophobicContact CG2-CB 3.38Å; E313-H316 HydrophobicContact CB-CB 4.34Å; E313-H316 WeakPolarHBondContact O-CB 3.33Å; E313-H316 PolarHBondContact O-N 3.09Å; E314-H316 VanDerWaalsContact C-N 3.29Å; E314-H316 PolarHBondContact O-N 3.05Å; H316-R319 PolarHBondContact O-N 3.22Å; H316-L320 PolarHBondContact O-N 3.08Å
317K98.3Very high97.1Very high40 Ų4055.2 Ų55.217%0.17427%0.267CS..Hα-helixtrans-61.8-46172-70.3-169.4175.9-157.30111.3L297 A300 D301 M304 I311 E313 E314 R319 L320 V321L297-K317 HydrophobicContact CD2-CB 4.08Å; L297-K317 HydrophobicContact CD2-CD 4.16Å; A300-K317 HydrophobicContact CB-CB 3.69Å; A300-K317 HydrophobicContact CB-CD 4.36Å; A300-K317 HydrophobicContact CB-CG 4.23Å; D301-K317 IonicContact OD1-NZ 3.36Å; D301-K317 PolarHBondContact OD1-NZ 3.05Å; M304-K317 HydrophobicContact SD-CD 4.24Å; M304-K317 HydrophobicContact SD-CG 4.07Å; I311-K317 HydrophobicContact CB-CG 4.37Å; I311-K317 HydrophobicContact CG2-CG 3.91Å; I311-K317 WeakPolarHBondContact O-CE 3.37Å; E313-K317 PolarHBondContact O-N 2.94Å; E314-K317 WeakPolarHBondContact O-CB 3.37Å; E314-K317 PolarHBondContact O-N 3.21Å; E314-K317 VanDerWaalsContact O-N 3.16Å; K317-R319 VanDerWaalsContact C-N 3.35Å; K317-R319 PolarHBondContact O-N 2.91Å; K317-L320 WeakPolarHBondContact O-CB 3.15Å; K317-L320 PolarHBondContact O-N 3.15Å; K317-V321 PolarHBondContact O-N 3.38Å
318V98.3Very high97.1Very high3 Ų355.5 Ų55.52%0.01827%0.272CS..Hα-helixtrans-60.8-45.1174.6170.70000110.7L293 L296 E314 E315 L320 V321 I322 P335 I339L293-V318 HydrophobicContact CD1-CG2 4.02Å; L296-V318 HydrophobicContact CD1-CG1 4.36Å; E314-V318 WeakPolarHBondContact O-CG2 3.39Å; E314-V318 PolarHBondContact O-N 3.36Å; E315-V318 PolarHBondContact O-N 3.17Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 3.35Å; V318-V321 PolarHBondContact O-N 2.85Å; V318-I322 HydrophobicContact CG1-CD1 3.73Å; V318-I322 HydrophobicContact CG1-CG1 4.38Å; V318-I322 WeakPolarHBondContact O-CG1 3.42Å; V318-I322 PolarHBondContact O-N 3.34Å; V318-P335 HydrophobicContact CG1-CB 4.08Å; V318-P335 HydrophobicContact CG1-CG 3.87Å; V318-I339 HydrophobicContact CG1-CD1 4.12Å; V318-I339 HydrophobicContact CG2-CD1 4.22Å
319R98.4Very high97.1Very high136 Ų13650.2 Ų50.251%0.51325%0.252SS..Hα-helixtrans-61.2-39.2177.3-166-179.4-61.5165.62.7112.8E315 H316 K317 V321 S323E315-R319 WeakPolarHBondContact O-CB 3.25Å; E315-R319 PolarHBondContact O-N 3.34Å; E315-R319 IonicContact OE1-CZ 2.8Å; E315-R319 IonicContact OE1-NH2 3.88Å; E315-R319 PolarHBondContact OE1-NH2 3.06Å; H316-R319 PolarHBondContact O-N 3.22Å; K317-R319 VanDerWaalsContact C-N 3.35Å; K317-R319 PolarHBondContact O-N 2.91Å; R319-V321 VanDerWaalsContact C-N 3.34Å; R319-S323 PolarHBondContact O-N 3.1Å; R319-S323 VanDerWaalsContact O-N 3.11Å
320L98.5Very high96.9Very high22 Ų2250.2 Ų50.212%0.11525%0.253CS..Hα-helixtrans-57.2-49.7173.7172.667.1000110.3M304 L309 I311 H316 K317 V318 S323 K324M304-L320 HydrophobicContact CG-CD2 3.87Å; L309-L320 HydrophobicContact CD1-CD1 3.91Å; L309-L320 HydrophobicContact CD1-CD2 3.99Å; I311-L320 HydrophobicContact CD1-CB 4.05Å; I311-L320 HydrophobicContact CD1-CD2 3.79Å; I311-L320 HydrophobicContact CD1-CG 4.34Å; H316-L320 PolarHBondContact O-N 3.08Å; K317-L320 WeakPolarHBondContact O-CB 3.15Å; K317-L320 PolarHBondContact O-N 3.15Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 3.35Å; L320-S323 PolarHBondContact O-N 2.68Å; L320-K324 HydrophobicContact CD1-CD 4.44Å; L320-K324 HydrophobicContact CD1-CG 3.8Å; L320-K324 HydrophobicContact CG-CG 4.16Å; L320-K324 WeakPolarHBondContact O-CB 3.24Å; L320-K324 VanDerWaalsContact O-CG 3.25Å; L320-K324 WeakPolarHBondContact O-CG 3.38Å; L320-K324 PolarHBondContact O-N 3.04Å
321V98.5Very high96.7Very high0 Ų050.7 Ų50.70%026%0.26CS..Hα-helixtrans-67.8-41.1-176.4175.60000112.1L296 A299 A300 K317 V318 R319 S323 K324 L325L296-V321 HydrophobicContact CD2-CB 4.4Å; L296-V321 HydrophobicContact CD2-CG1 3.64Å; L296-V321 WeakPolarHBondContact O-CG2 3.34Å; A299-V321 HydrophobicContact CB-CG1 3.96Å; A299-V321 HydrophobicContact CB-CG2 3.98Å; A300-V321 VanDerWaalsContact CA-CG2 3.42Å; A300-V321 HydrophobicContact CB-CG2 3.58Å; A300-V321 VanDerWaalsContact N-CG2 3.26Å; K317-V321 PolarHBondContact O-N 3.38Å; V318-V321 PolarHBondContact O-N 2.85Å; R319-V321 VanDerWaalsContact C-N 3.34Å; V321-S323 VanDerWaalsContact C-N 3.25Å; V321-S323 PolarHBondContact O-N 3.23Å; V321-K324 PolarHBondContact O-N 3.35Å; V321-L325 HydrophobicContact CG1-CD1 3.59Å; V321-L325 HydrophobicContact CG1-CG 4.07Å; V321-L325 WeakPolarHBondContact O-CB 3.26Å; V321-L325 WeakPolarHBondContact O-CG 3.38Å; V321-L325 PolarHBondContact O-N 3.24Å
322I98.3Very high96.6Very high18 Ų1854.6 Ų54.69%0.09229%0.288CS..Hα-helixtrans-53.6-48.2173.3-68.8162.8000109.9V318 G326 L327 D328 F333 P335V318-I322 HydrophobicContact CG1-CD1 3.73Å; V318-I322 HydrophobicContact CG1-CG1 4.38Å; V318-I322 WeakPolarHBondContact O-CG1 3.42Å; V318-I322 PolarHBondContact O-N 3.34Å; I322-G326 CarbonylContact O-C 3.53Å; I322-G326 VanDerWaalsContact O-CA 3.27Å; I322-G326 WeakPolarHBondContact O-CA 3.41Å; I322-G326 PolarHBondContact O-N 3.47Å; I322-L327 HydrophobicContact CG1-CD1 4.09Å; I322-L327 HydrophobicContact CG2-CB 4.33Å; I322-L327 PolarHBondContact O-N 3.12Å; I322-D328 HydrophobicContact CG2-CB 4.25Å; I322-F333 HydrophobicContact CD1-CD1 3.42Å; I322-F333 VanDerWaalsContact CD1-CD1 3.42Å; I322-F333 HydrophobicContact CD1-CE1 3.96Å; I322-F333 HydrophobicContact CD1-CG 4.3Å; I322-F333 HydrophobicContact CG1-CD1 3.66Å; I322-F333 HydrophobicContact CG1-CE1 4.12Å; I322-F333 HydrophobicContact CG1-CG 4.2Å; I322-F333 HydrophobicContact CG2-CB 4.33Å; I322-P335 HydrophobicContact CD1-CG 3.92Å
323S98.1Very high96.6Very high89 Ų8953.9 Ų53.962%0.62228%0.284SS*.Hα-helixtrans-67.5-42.7178.8178.10000113R319 L320 V321 G326R319-S323 PolarHBondContact O-N 3.1Å; R319-S323 VanDerWaalsContact O-N 3.11Å; L320-S323 PolarHBondContact O-N 2.68Å; V321-S323 VanDerWaalsContact C-N 3.25Å; V321-S323 PolarHBondContact O-N 3.23Å; S323-G326 PolarHBondContact O-N 2.85Å
324K98Very high96.7Very high67 Ų6753 Ų5329%0.29128%0.281SS..Hα-helixtrans-69-36.4-176.2-72.8-70.6172.3-179.10113.5Y303 E307 L320 V321Y303-K324 HydrophobicContact CD1-CB 4.34Å; Y303-K324 HydrophobicContact CD1-CD 3.95Å; Y303-K324 HydrophobicContact CD1-CG 4.05Å; Y303-K324 HydrophobicContact CD2-CB 3.88Å; Y303-K324 HydrophobicContact CD2-CG 4.02Å; Y303-K324 HydrophobicContact CE1-CB 4.17Å; Y303-K324 HydrophobicContact CE1-CD 4.18Å; Y303-K324 HydrophobicContact CE1-CG 4.34Å; Y303-K324 HydrophobicContact CE2-CB 3.7Å; Y303-K324 HydrophobicContact CE2-CG 4.31Å; Y303-K324 HydrophobicContact CG-CB 4.22Å; Y303-K324 HydrophobicContact CG-CD 4.29Å; Y303-K324 HydrophobicContact CG-CG 3.91Å; E307-K324 WeakPolarHBondContact OE1-CE 3.43Å; E307-K324 IonicContact OE1-NZ 3.65Å; E307-K324 PolarHBondContact OE1-NZ 2.98Å; E307-K324 VanDerWaalsContact OE2-CE 3.27Å; E307-K324 WeakPolarHBondContact OE2-CE 3.26Å; E307-K324 IonicContact OE2-NZ 3.07Å; E307-K324 PolarHBondContact OE2-NZ 3.01Å; L320-K324 HydrophobicContact CD1-CD 4.44Å; L320-K324 HydrophobicContact CD1-CG 3.8Å; L320-K324 HydrophobicContact CG-CG 4.16Å; L320-K324 WeakPolarHBondContact O-CB 3.24Å; L320-K324 VanDerWaalsContact O-CG 3.25Å; L320-K324 WeakPolarHBondContact O-CG 3.38Å; L320-K324 PolarHBondContact O-N 3.04Å; V321-K324 PolarHBondContact O-N 3.35Å
325L98.3Very high96.7Very high0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-93.1-11.4178.8-56.1-176.1000112.1L264 Y268 G284 S285 Y303 V321 L327L264-L325 HydrophobicContact CD2-CD1 3.51Å; L264-L325 HydrophobicContact CG-CD1 3.74Å; Y268-L325 HydrophobicContact CD1-CD2 3.42Å; Y268-L325 VanDerWaalsContact CD1-CD2 3.42Å; Y268-L325 HydrophobicContact CD2-CD2 4.43Å; Y268-L325 HydrophobicContact CE1-CD2 4.09Å; Y268-L325 HydrophobicContact CG-CD2 3.62Å; G284-L325 CarbonylContact C-O 3.57Å; G284-L325 WeakPolarHBondContact CA-O 3.44Å; S285-L325 WeakPolarHBondContact CB-O 3.44Å; S285-L325 PolarHBondContact N-O 2.86Å; S285-L325 PolarHBondContact OG-O 3.16Å; Y303-L325 HydrophobicContact CE2-CD2 3.92Å; Y303-L325 HydrophobicContact CE2-CG 4.47Å; Y303-L325 WeakPolarHBondContact OH-CD2 3.21Å; V321-L325 HydrophobicContact CG1-CD1 3.59Å; V321-L325 HydrophobicContact CG1-CG 4.07Å; V321-L325 WeakPolarHBondContact O-CB 3.26Å; V321-L325 WeakPolarHBondContact O-CG 3.38Å; V321-L325 PolarHBondContact O-N 3.24Å; L325-L327 HydrophobicContact CB-CD2 3.75Å; L325-L327 HydrophobicContact CB-CG 3.99Å; L325-L327 HydrophobicContact CD1-CD2 4.21Å
326G98Very high96.5Very high13 Ų1353.1 Ų53.113%0.13428%0.283CS..THydrogen-bonded Turntrans60.543.7-173.800000112.2S285 I322 S323 D328 S329S285-G326 PolarHBondContact N-O 3.22Å; I322-G326 CarbonylContact O-C 3.53Å; I322-G326 VanDerWaalsContact O-CA 3.27Å; I322-G326 WeakPolarHBondContact O-CA 3.41Å; I322-G326 PolarHBondContact O-N 3.47Å; S323-G326 PolarHBondContact O-N 2.85Å; G326-D328 PolarHBondContact O-N 3.48Å; G326-D328 VanDerWaalsContact O-N 3.13Å; G326-S329 WeakPolarHBondContact O-CB 3.44Å; G326-S329 PolarHBondContact O-N 2.88Å; G326-S329 VanDerWaalsContact O-N 3.11Å; G326-S329 PolarHBondContact O-OG 3.35Å
327L98Very high96.1Very high4 Ų454.5 Ų54.52%0.02129%0.289CS..THydrogen-bonded Turntrans-62.9-16.8-176.3-62.6-173.6000113.3Y203 S285 I287 L296 I322 L325 F333Y203-L327 HydrophobicContact CE2-CD2 3.83Å; S285-L327 CarbonylContact O-C 3.49Å; S285-L327 WeakPolarHBondContact O-CA 3.13Å; S285-L327 WeakPolarHBondContact OG-CD2 3.27Å; I287-L327 HydrophobicContact CG1-CD1 4.5Å; I287-L327 HydrophobicContact CG1-CD2 4.11Å; L296-L327 HydrophobicContact CD2-CD1 3.89Å; I322-L327 HydrophobicContact CG1-CD1 4.09Å; I322-L327 HydrophobicContact CG2-CB 4.33Å; I322-L327 PolarHBondContact O-N 3.12Å; L325-L327 HydrophobicContact CB-CD2 3.75Å; L325-L327 HydrophobicContact CB-CG 3.99Å; L325-L327 HydrophobicContact CD1-CD2 4.21Å; L327-F333 HydrophobicContact CB-CB 4.28Å; L327-F333 HydrophobicContact CB-CD2 3.97Å; L327-F333 HydrophobicContact CB-CG 4.2Å; L327-F333 HydrophobicContact CD1-CD2 4.25Å; L327-F333 HydrophobicContact CD1-CE2 4.12Å; L327-F333 HydrophobicContact CD1-CZ 4.36Å
328D96.3Very high95.8Very high85 Ų8554 Ų5446%0.45529%0.286SS..THydrogen-bonded Turntrans-98.48.7-179.459.8-17.3000113.4I322 G326 L330 S331 F333I322-D328 HydrophobicContact CG2-CB 4.25Å; G326-D328 PolarHBondContact O-N 3.48Å; G326-D328 VanDerWaalsContact O-N 3.13Å; D328-L330 PolarHBondContact O-N 3.36Å; D328-S331 CarbonylContact C-O 3.59Å; D328-S331 VanDerWaalsContact CA-O 3.25Å; D328-S331 WeakPolarHBondContact CA-O 3.28Å; D328-F333 HydrophobicContact CB-CB 4.32Å
329S95.8Very high95.6Very high50 Ų5053.9 Ų53.935%0.3529%0.285SS..SBendtrans-65.3-33-171.957.50000115.1N206 V283 S285 G326N206-S329 PolarHBondContact ND2-OG 3.02Å; V283-S329 WeakPolarHBondContact O-CB 3.11Å; S285-S329 PolarHBondContact N-OG 3.19Å; S285-S329 PolarHBondContact O-OG 3.08Å; G326-S329 WeakPolarHBondContact O-CB 3.44Å; G326-S329 PolarHBondContact O-N 2.88Å; G326-S329 VanDerWaalsContact O-N 3.11Å; G326-S329 PolarHBondContact O-OG 3.35Å
330L92.6Very high95.1Very high63 Ų6347.6 Ų47.633%0.3326%0.262SS..SBendtrans-100.3-31176.9-67.4177.9000113L244 A247 Q286 D328L244-L330 HydrophobicContact CD1-CD1 3.94Å; A247-L330 HydrophobicContact CB-CD2 3.95Å; Q286-L330 HydrophobicContact CB-CD1 4.19Å; D328-L330 PolarHBondContact O-N 3.36Å
331S91.4Very high94.6Very high47 Ų4749.2 Ų49.233%0.32927%0.269SS..SBendtrans-158150.6-179.761.70000109.4D328 F333D328-S331 CarbonylContact C-O 3.59Å; D328-S331 VanDerWaalsContact CA-O 3.25Å; D328-S331 WeakPolarHBondContact CA-O 3.28Å; S331-F333 PolarHBondContact O-N 3.43Å
332P94.5Very high94.1Very high116 Ų11651.2 Ų51.275%0.75328%0.277SS*.  trans-53.2130178-25.534.1000112.8N334P332-N334 PolarHBondContact O-N 2.84Å
333F95.7Very high93.5Very high17 Ų1751.1 Ų51.18%0.07528%0.276CS..  trans-86.4106.4172.1-172.5-84.7000109.4I287 I291 L296 I322 L327 D328 S331 P335 R338I287-F333 HydrophobicContact CB-CE2 4.34Å; I287-F333 HydrophobicContact CG1-CE2 4.23Å; I291-F333 HydrophobicContact CG2-CE2 4.44Å; I291-F333 HydrophobicContact CG2-CZ 3.98Å; L296-F333 HydrophobicContact CD1-CZ 4.37Å; I322-F333 HydrophobicContact CD1-CD1 3.42Å; I322-F333 VanDerWaalsContact CD1-CD1 3.42Å; I322-F333 HydrophobicContact CD1-CE1 3.96Å; I322-F333 HydrophobicContact CD1-CG 4.3Å; I322-F333 HydrophobicContact CG1-CD1 3.66Å; I322-F333 HydrophobicContact CG1-CE1 4.12Å; I322-F333 HydrophobicContact CG1-CG 4.2Å; I322-F333 HydrophobicContact CG2-CB 4.33Å; L327-F333 HydrophobicContact CB-CB 4.28Å; L327-F333 HydrophobicContact CB-CD2 3.97Å; L327-F333 HydrophobicContact CB-CG 4.2Å; L327-F333 HydrophobicContact CD1-CD2 4.25Å; L327-F333 HydrophobicContact CD1-CE2 4.12Å; L327-F333 HydrophobicContact CD1-CZ 4.36Å; D328-F333 HydrophobicContact CB-CB 4.32Å; S331-F333 PolarHBondContact O-N 3.43Å; F333-P335 HydrophobicContact CD1-CG 4.09Å; F333-P335 HydrophobicContact CE1-CB 4.29Å; F333-P335 HydrophobicContact CE1-CG 4.12Å; F333-P335 VanDerWaalsContact O-CD 3.31Å; F333-P335 WeakPolarHBondContact O-CD 3.44Å; F333-R338 HydrophobicContact CD2-CB 4.45Å; F333-R338 HydrophobicContact CD2-CG 4.35Å; F333-R338 HydrophobicContact CE1-CB 4.22Å; F333-R338 HydrophobicContact CE2-CB 3.78Å; F333-R338 HydrophobicContact CE2-CG 4.15Å; F333-R338 HydrophobicContact CZ-CB 3.65Å; F333-R338 HydrophobicContact CZ-CG 4.37Å
334N95.3Very high92.6Very high62 Ų6247.5 Ų47.533%0.33225%0.25SS..  trans-94104.8173.9-176.8-5.6000110.6P332 K336 Q337 R338P332-N334 PolarHBondContact O-N 2.84Å; N334-K336 PolarHBondContact O-N 3.27Å; N334-K336 VanDerWaalsContact O-N 3.11Å; N334-K336 PolarHBondContact OD1-N 3.44Å; N334-Q337 HydrophobicContact CB-CB 4.32Å; N334-Q337 PolarHBondContact ND2-OE1 3.42Å; N334-Q337 PolarHBondContact O-N 3.28Å; N334-R338 VanDerWaalsContact O-CG 3.29Å; N334-R338 WeakPolarHBondContact O-CG 3.36Å; N334-R338 PolarHBondContact O-N 2.84Å; N334-R338 VanDerWaalsContact O-N 3.16Å
335P95Very high91.4Very high34 Ų3451 Ų5122%0.22126%0.261CS..Hα-helixtrans-56.8-35-175.1-26.336.3000113.8V318 I322 F333 Q337 R338 I339 Y342V318-P335 HydrophobicContact CG1-CB 4.08Å; V318-P335 HydrophobicContact CG1-CG 3.87Å; I322-P335 HydrophobicContact CD1-CG 3.92Å; F333-P335 HydrophobicContact CD1-CG 4.09Å; F333-P335 HydrophobicContact CE1-CB 4.29Å; F333-P335 HydrophobicContact CE1-CG 4.12Å; F333-P335 VanDerWaalsContact O-CD 3.31Å; F333-P335 WeakPolarHBondContact O-CD 3.44Å; P335-Q337 PolarHBondContact O-N 2.95Å; P335-R338 PolarHBondContact O-N 3.16Å; P335-I339 HydrophobicContact CB-CD1 3.77Å; P335-I339 HydrophobicContact CB-CG1 4.42Å; P335-I339 VanDerWaalsContact O-CB 3.31Å; P335-I339 WeakPolarHBondContact O-CB 2.91Å; P335-I339 WeakPolarHBondContact O-CG1 3.42Å; P335-I339 PolarHBondContact O-N 3.33Å; P335-Y342 HydrophobicContact CB-CD2 4.25Å; P335-Y342 HydrophobicContact CB-CE2 4.12Å
336K91.1Very high89.6Confident163 Ų16355.1 Ų55.171%0.70929%0.291SS*.Hα-helixtrans-68.6-16-178.9-65.2-175.6177.4-178.40113.8N334 M343N334-K336 PolarHBondContact O-N 3.27Å; N334-K336 VanDerWaalsContact O-N 3.11Å; N334-K336 PolarHBondContact OD1-N 3.44Å; K336-M343 VanDerWaalsContact O-CG 3.26Å; K336-M343 WeakPolarHBondContact O-CG 3.44Å
337Q89.9Confident87.7Confident115 Ų11558.8 Ų58.854%0.53730%0.304SS..Hα-helixtrans-113.9-4.9-179.8-68.2176.8-33.500112.8N334 P335 M343N334-Q337 HydrophobicContact CB-CB 4.32Å; N334-Q337 PolarHBondContact ND2-OE1 3.42Å; N334-Q337 PolarHBondContact O-N 3.28Å; P335-Q337 PolarHBondContact O-N 2.95Å; Q337-M343 VanDerWaalsContact C-SD 3.51Å; Q337-M343 WeakPolarHBondContact O-CE 3.34Å
338R91.4Very high85.9Confident30 Ų3064.1 Ų64.111%0.11333%0.329CS..Hα-helixtrans-120.4-21.6-175.4-56.4-58.3-69-941112.9I287 G289 L290 I291 F333 N334 P335I287-R338 PolarHBondContact O-NH2 2.83Å; G289-R338 PolarHBondContact O-NE 3.49Å; G289-R338 PolarHBondContact O-NH2 3.01Å; L290-R338 CarbonylContact C-O 3.52Å; L290-R338 VanDerWaalsContact CA-O 3.3Å; L290-R338 WeakPolarHBondContact CA-O 3.45Å; I291-R338 WeakPolarHBondContact CG2-O 3.31Å; I291-R338 PolarHBondContact N-O 2.95Å; F333-R338 HydrophobicContact CD2-CB 4.45Å; F333-R338 HydrophobicContact CD2-CG 4.35Å; F333-R338 HydrophobicContact CE1-CB 4.22Å; F333-R338 HydrophobicContact CE2-CB 3.78Å; F333-R338 HydrophobicContact CE2-CG 4.15Å; F333-R338 HydrophobicContact CZ-CB 3.65Å; F333-R338 HydrophobicContact CZ-CG 4.37Å; N334-R338 VanDerWaalsContact O-CG 3.29Å; N334-R338 WeakPolarHBondContact O-CG 3.36Å; N334-R338 PolarHBondContact O-N 2.84Å; N334-R338 VanDerWaalsContact O-N 3.16Å; P335-R338 PolarHBondContact O-N 3.16Å
339I93.6Very high83.7Confident0 Ų066.7 Ų66.70%035%0.348CS..BIsolated β-bridgetrans-95117178.2-60.6175.8000109.2I291 L293 L296 V318 P335 E341 Y342 M343I291-I339 HydrophobicContact CG2-CG1 4.22Å; I291-I339 WeakPolarHBondContact O-CA 3.39Å; L293-I339 HydrophobicContact CB-CG2 3.64Å; L293-I339 HydrophobicContact CD1-CD1 4.16Å; L293-I339 HydrophobicContact CD1-CG2 4.22Å; L293-I339 HydrophobicContact CG-CG2 4.45Å; L296-I339 HydrophobicContact CD1-CD1 3.44Å; L296-I339 VanDerWaalsContact CD1-CD1 3.44Å; L296-I339 HydrophobicContact CD1-CG1 3.71Å; V318-I339 HydrophobicContact CG1-CD1 4.12Å; V318-I339 HydrophobicContact CG2-CD1 4.22Å; P335-I339 HydrophobicContact CB-CD1 3.77Å; P335-I339 HydrophobicContact CB-CG1 4.42Å; P335-I339 VanDerWaalsContact O-CB 3.31Å; P335-I339 WeakPolarHBondContact O-CB 2.91Å; P335-I339 WeakPolarHBondContact O-CG1 3.42Å; P335-I339 PolarHBondContact O-N 3.33Å; I339-E341 VanDerWaalsContact C-N 3.34Å; I339-E341 PolarHBondContact O-N 3.44Å; I339-Y342 HydrophobicContact CB-CD2 3.89Å; I339-Y342 HydrophobicContact CB-CE2 4.46Å; I339-Y342 HydrophobicContact CB-CG 4.05Å; I339-Y342 HydrophobicContact CD1-CD2 3.82Å; I339-Y342 HydrophobicContact CD1-CE2 3.58Å; I339-Y342 HydrophobicContact CG1-CD2 4.37Å; I339-Y342 HydrophobicContact CG2-CD1 4.22Å; I339-Y342 HydrophobicContact CG2-CD2 4.17Å; I339-Y342 HydrophobicContact CG2-CG 3.98Å; I339-Y342 PolarHBondContact O-N 3.08Å; I339-Y342 VanDerWaalsContact O-N 3.11Å; I339-M343 WeakPolarHBondContact O-CG 3.46Å; I339-M343 PolarHBondContact O-N 3.27Å; I339-M343 VanDerWaalsContact O-N 3.14Å
340I89.1Confident82.1Confident5 Ų567.4 Ų67.43%0.02636%0.362CS..Hα-helixtrans-58.6-43.7-173.4-173.7169000112.1E24 L54 V70 V114 F199 L290 I291 Y342 M343 V344E24-I340 HydrophobicContact CB-CD1 4.39Å; E24-I340 HydrophobicContact CG-CD1 4.49Å; L54-I340 HydrophobicContact CD1-CG1 4.47Å; V70-I340 HydrophobicContact CG1-CD1 4.38Å; V114-I340 HydrophobicContact CG1-CD1 4Å; V114-I340 HydrophobicContact CG1-CG1 4.49Å; V114-I340 HydrophobicContact CG2-CD1 3.78Å; F199-I340 HydrophobicContact CE2-CD1 3.94Å; F199-I340 HydrophobicContact CE2-CG2 4.28Å; L290-I340 HydrophobicContact CD1-CB 4.27Å; L290-I340 HydrophobicContact CD1-CG1 4.38Å; I291-I340 PolarHBondContact O-N 2.89Å; I340-Y342 VanDerWaalsContact C-N 3.29Å; I340-Y342 PolarHBondContact O-N 2.91Å; I340-M343 PolarHBondContact O-N 3.32Å; I340-M343 VanDerWaalsContact O-N 3.16Å; I340-V344 HydrophobicContact CG1-CG2 4.19Å; I340-V344 WeakPolarHBondContact O-CG2 3.32Å; I340-V344 PolarHBondContact O-N 3.08Å
341E87.5Confident81.4Confident56 Ų5665.6 Ų65.626%0.26236%0.359SS..Hα-helixtrans-64.9-32.8-179.6-61.990.1151.800112.1L293 I339 R345L293-E341 HydrophobicContact CB-CB 4.41Å; L293-E341 HydrophobicContact CB-CG 4.37Å; L293-E341 WeakPolarHBondContact CB-OE2 3.34Å; L293-E341 VanDerWaalsContact N-CD 3.31Å; L293-E341 PolarHBondContact N-OE1 3.34Å; L293-E341 VanDerWaalsContact N-OE1 3.16Å; L293-E341 PolarHBondContact N-OE2 3.31Å; I339-E341 VanDerWaalsContact C-N 3.34Å; I339-E341 PolarHBondContact O-N 3.44Å; E341-R345 VanDerWaalsContact O-CB 3.24Å; E341-R345 WeakPolarHBondContact O-CB 3.43Å; E341-R345 WeakPolarHBondContact O-CD 3.41Å; E341-R345 WeakPolarHBondContact O-CG 3.16Å; E341-R345 PolarHBondContact O-N 3.07Å
342Y89Confident81.3Confident42 Ų4264.5 Ų64.517%0.16535%0.35CS..Hα-helixtrans-70.9-38.6175.6-70-4.3000111.7L293 E314 P335 I339 I340 S346L293-Y342 HydrophobicContact CD1-CE1 4.03Å; L293-Y342 HydrophobicContact CD2-CD1 4.46Å; L293-Y342 HydrophobicContact CD2-CE1 3.73Å; L293-Y342 HydrophobicContact CG-CE1 4.46Å; E314-Y342 WeakPolarHBondContact CG-OH 3.34Å; E314-Y342 VanDerWaalsContact OE1-CE1 3.29Å; E314-Y342 WeakPolarHBondContact OE1-CE1 3.43Å; E314-Y342 PolarHBondContact OE1-OH 2.8Å; P335-Y342 HydrophobicContact CB-CD2 4.25Å; P335-Y342 HydrophobicContact CB-CE2 4.12Å; I339-Y342 HydrophobicContact CB-CD2 3.89Å; I339-Y342 HydrophobicContact CB-CE2 4.46Å; I339-Y342 HydrophobicContact CB-CG 4.05Å; I339-Y342 HydrophobicContact CD1-CD2 3.82Å; I339-Y342 HydrophobicContact CD1-CE2 3.58Å; I339-Y342 HydrophobicContact CG1-CD2 4.37Å; I339-Y342 HydrophobicContact CG2-CD1 4.22Å; I339-Y342 HydrophobicContact CG2-CD2 4.17Å; I339-Y342 HydrophobicContact CG2-CG 3.98Å; I339-Y342 PolarHBondContact O-N 3.08Å; I339-Y342 VanDerWaalsContact O-N 3.11Å; I340-Y342 VanDerWaalsContact C-N 3.29Å; I340-Y342 PolarHBondContact O-N 2.91Å; Y342-S346 WeakPolarHBondContact O-CB 3.41Å; Y342-S346 PolarHBondContact O-N 3.13Å; Y342-S346 VanDerWaalsContact O-N 3.13Å
343M85Confident81Confident16 Ų1662.1 Ų62.18%0.07933%0.332CS..Hα-helixtrans-67.1-44.3177.9-63.4175.387.700110.9L54 L290 K336 Q337 I339 I340 S346L54-M343 HydrophobicContact CB-CE 3.62Å; L54-M343 HydrophobicContact CB-SD 4.3Å; L54-M343 HydrophobicContact CD1-SD 4.5Å; L54-M343 HydrophobicContact CD2-CB 4.36Å; L54-M343 HydrophobicContact CD2-CE 4.22Å; L54-M343 HydrophobicContact CG-CE 4.37Å; L54-M343 WeakPolarHBondContact O-CE 3.22Å; L290-M343 HydrophobicContact CD1-SD 4.07Å; L290-M343 HydrophobicContact CD2-CE 4.37Å; L290-M343 HydrophobicContact CD2-SD 3.58Å; L290-M343 VanDerWaalsContact CD2-SD 3.58Å; K336-M343 VanDerWaalsContact O-CG 3.26Å; K336-M343 WeakPolarHBondContact O-CG 3.44Å; Q337-M343 VanDerWaalsContact C-SD 3.51Å; Q337-M343 WeakPolarHBondContact O-CE 3.34Å; I339-M343 WeakPolarHBondContact O-CG 3.46Å; I339-M343 PolarHBondContact O-N 3.27Å; I339-M343 VanDerWaalsContact O-N 3.14Å; I340-M343 PolarHBondContact O-N 3.32Å; I340-M343 VanDerWaalsContact O-N 3.16Å; M343-S346 PolarHBondContact O-N 3.16Å; M343-S346 PolarHBondContact O-OG 3.46Å
344V78.1Confident80.7Confident12 Ų1265.6 Ų65.67%0.07336%0.359CS..Hα-helixtrans-67.1-46.6177.9176.60000111.6L22 I340 S346 Q347 E348L22-V344 HydrophobicContact CD2-CB 4.28Å; L22-V344 HydrophobicContact CD2-CG1 3.7Å; L22-V344 HydrophobicContact CD2-CG2 3.5Å; L22-V344 VanDerWaalsContact CD2-CG2 3.5Å; I340-V344 HydrophobicContact CG1-CG2 4.19Å; I340-V344 WeakPolarHBondContact O-CG2 3.32Å; I340-V344 PolarHBondContact O-N 3.08Å; V344-S346 PolarHBondContact O-N 2.96Å; V344-Q347 WeakPolarHBondContact O-CB 3.31Å; V344-Q347 PolarHBondContact O-N 3.35Å; V344-E348 PolarHBondContact O-N 2.91Å
345R74.4Confident80.5Confident140 Ų14065.5 Ų65.553%0.52836%0.358SS..Hα-helixtrans-57.9-34176.4-76.4172.8-174.9175.93.8112.8E341 Q347 E348E341-R345 VanDerWaalsContact O-CB 3.24Å; E341-R345 WeakPolarHBondContact O-CB 3.43Å; E341-R345 WeakPolarHBondContact O-CD 3.41Å; E341-R345 WeakPolarHBondContact O-CG 3.16Å; E341-R345 PolarHBondContact O-N 3.07Å; R345-Q347 PolarHBondContact O-N 3.35Å; R345-E348 PolarHBondContact O-N 2.94Å
346S59.7Low80.5Confident88 Ų8867.6 Ų67.662%0.61537%0.371SS*.Hα-helixtrans-68-18.9177.6760000113.6Y342 M343 V344Y342-S346 WeakPolarHBondContact O-CB 3.41Å; Y342-S346 PolarHBondContact O-N 3.13Å; Y342-S346 VanDerWaalsContact O-N 3.13Å; M343-S346 PolarHBondContact O-N 3.16Å; M343-S346 PolarHBondContact O-OG 3.46Å; V344-S346 PolarHBondContact O-N 2.96Å
347Q57.3Low80.7Confident90 Ų9066.2 Ų66.242%0.42137%0.37SS..Hα-helixtrans-90.3-22.9175.7-62.6-174.8-14.800112.8S52 V344 R345 V349S52-Q347 PolarHBondContact OG-NE2 3.46Å; S52-Q347 PolarHBondContact OG-OE1 2.91Å; V344-Q347 WeakPolarHBondContact O-CB 3.31Å; V344-Q347 PolarHBondContact O-N 3.35Å; R345-Q347 PolarHBondContact O-N 3.35Å; Q347-V349 PolarHBondContact O-N 3.41Å
348E60.7Low81Confident116 Ų11666.5 Ų66.554%0.54237%0.371SS..  trans-7474.2172.3-69.6-172.816400110.5Q115 V344 R345 G350Q115-E348 PolarHBondContact NE2-OE1 3.19Å; V344-E348 PolarHBondContact O-N 2.91Å; R345-E348 PolarHBondContact O-N 2.94Å; E348-G350 PolarHBondContact O-N 2.98Å
349V50.5Low81.2Confident139 Ų13969.4 Ų69.484%0.84239%0.386SS*.  trans-77.7116170.9-176.80000108.6Q347Q347-V349 PolarHBondContact O-N 3.41Å
350G62.8Low81.3Confident64 Ų6470.7 Ų70.766%0.6639%0.392SS*.  trans144.15.1160.100000120.1E348E348-G350 PolarHBondContact O-N 2.98Å
351G78.6Confident81.6Confident25 Ų2574.6 Ų74.626%0.25842%0.416SS..  trans-68.6151.1177.500000113.8V353 S354 D427G351-V353 PolarHBondContact O-N 3.49Å; G351-S354 WeakPolarHBondContact O-CB 3.48Å; G351-S354 PolarHBondContact O-N 3.43Å; G351-S354 PolarHBondContact O-OG 2.99Å; G351-D427 WeakPolarHBondContact CA-OD1 3.32Å
352L87.4Confident82Confident25 Ų2579.8 Ų79.813%0.13143%0.433CS..G310 helixtrans-55.4-34171.9-65.7166.3000111.9S354 L355 F360 P371 V426 D427L352-S354 PolarHBondContact O-N 3.41Å; L352-L355 HydrophobicContact CD2-CD1 4.11Å; L352-L355 WeakPolarHBondContact O-CB 3.45Å; L352-L355 WeakPolarHBondContact O-CG 3.36Å; L352-L355 PolarHBondContact O-N 2.87Å; L352-F360 HydrophobicContact CB-CD2 4.21Å; L352-F360 HydrophobicContact CB-CE2 4.23Å; L352-P371 HydrophobicContact CD1-CB 3.68Å; L352-P371 HydrophobicContact CD1-CG 4.44Å; L352-P371 HydrophobicContact CD2-CB 3.98Å; L352-P371 HydrophobicContact CD2-CG 3.81Å; L352-P371 HydrophobicContact CG-CB 4.5Å; L352-V426 HydrophobicContact CB-CG1 3.93Å; L352-V426 HydrophobicContact CD1-CG1 4.11Å; L352-D427 WeakPolarHBondContact CA-OD1 3.35Å; L352-D427 VanDerWaalsContact CB-OD1 3.28Å; L352-D427 WeakPolarHBondContact CB-OD1 3.31Å; L352-D427 PolarHBondContact N-OD1 3.5Å
353V89.8Confident82.2Confident65 Ų6579.7 Ų79.739%0.39444%0.439SS..G310 helixtrans-65.3-24.8179.2178.20000112.3G351 L355 L423 V426 D427G351-V353 PolarHBondContact O-N 3.49Å; V353-L355 VanDerWaalsContact C-N 3.33Å; V353-L423 HydrophobicContact CG1-CD2 4.33Å; V353-L423 VanDerWaalsContact CG2-O 3.29Å; V353-L423 WeakPolarHBondContact CG2-O 3.32Å; V353-V426 HydrophobicContact CG2-CB 3.81Å; V353-V426 HydrophobicContact CG2-CG1 4.18Å; V353-V426 HydrophobicContact CG2-CG2 4.33Å; V353-D427 VanDerWaalsContact CG2-OD2 3.27Å; V353-D427 WeakPolarHBondContact CG2-OD2 3.03Å
354S88.4Confident82.7Confident91 Ų9181.4 Ų81.464%0.63645%0.45SS*.G310 helixtrans-81-12.3177.973.70000113.7G351 L352G351-S354 WeakPolarHBondContact O-CB 3.48Å; G351-S354 PolarHBondContact O-N 3.43Å; G351-S354 PolarHBondContact O-OG 2.99Å; L352-S354 PolarHBondContact O-N 3.41Å
355L90.6Very high83.5Confident60 Ų6084.1 Ų84.131%0.31448%0.481SS..SBendtrans-69.2150.2178.7-63.3178.6000111L352 V353 Q359 F360L352-L355 HydrophobicContact CD2-CD1 4.11Å; L352-L355 WeakPolarHBondContact O-CB 3.45Å; L352-L355 WeakPolarHBondContact O-CG 3.36Å; L352-L355 PolarHBondContact O-N 2.87Å; V353-L355 VanDerWaalsContact C-N 3.33Å; L355-Q359 HydrophobicContact CB-CB 4.04Å; L355-Q359 HydrophobicContact CD1-CB 4.49Å; L355-Q359 HydrophobicContact CD2-CB 4.35Å; L355-F360 HydrophobicContact CB-CB 4.36Å
356T94.9Very high84.4Confident78 Ų7879.7 Ų79.748%0.47947%0.474SS..  trans-60.5149.6163.864.20000109.6Q358 Q359 F360T356-Q358 PolarHBondContact O-N 3.15Å; T356-Q358 VanDerWaalsContact O-N 3.1Å; T356-Q359 WeakPolarHBondContact O-CA 3.39Å; T356-Q359 WeakPolarHBondContact O-CB 3.46Å; T356-Q359 PolarHBondContact O-N 2.87Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.5Å; T356-Q359 VanDerWaalsContact OG1-CD 3.23Å; T356-Q359 VanDerWaalsContact OG1-CG 3.24Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.3Å; T356-Q359 PolarHBondContact OG1-N 3.01Å; T356-Q359 PolarHBondContact OG1-OE1 3.12Å; T356-F360 PolarHBondContact O-N 3.45Å
357L95.8Very high85.9Confident134 Ų13488.1 Ų88.170%0.70249%0.492SS*.Hα-helixtrans-52.3-38.7177.3179.962.2000112.1F360 V361L357-F360 PolarHBondContact O-N 3.28Å; L357-V361 HydrophobicContact CD1-CG2 4.17Å; L357-V361 WeakPolarHBondContact O-CB 3.13Å; L357-V361 VanDerWaalsContact O-CG2 3.28Å; L357-V361 WeakPolarHBondContact O-CG2 3.42Å; L357-V361 PolarHBondContact O-N 2.86Å
358Q96.8Very high87.3Confident120 Ų12088 Ų8856%0.56150%0.498SS*.Hα-helixtrans-62.6-43.3176.5-174.8-179.951.600112.3T356 R362T356-Q358 PolarHBondContact O-N 3.15Å; T356-Q358 VanDerWaalsContact O-N 3.1Å; Q358-R362 VanDerWaalsContact NE2-NH2 3.19Å; Q358-R362 WeakPolarHBondContact O-CB 3.3Å; Q358-R362 VanDerWaalsContact O-CG 3.29Å; Q358-R362 WeakPolarHBondContact O-CG 3.43Å; Q358-R362 PolarHBondContact O-N 2.98Å; Q358-R362 VanDerWaalsContact O-N 3.12Å
359Q95Very high88.2Confident92 Ų9286 Ų8643%0.4350%0.501SS..Hα-helixtrans-67.3-46.5177.2-75.1163.3-38.400111L355 T356 V361 R362 S363L355-Q359 HydrophobicContact CB-CB 4.04Å; L355-Q359 HydrophobicContact CD1-CB 4.49Å; L355-Q359 HydrophobicContact CD2-CB 4.35Å; T356-Q359 WeakPolarHBondContact O-CA 3.39Å; T356-Q359 WeakPolarHBondContact O-CB 3.46Å; T356-Q359 PolarHBondContact O-N 2.87Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.5Å; T356-Q359 VanDerWaalsContact OG1-CD 3.23Å; T356-Q359 VanDerWaalsContact OG1-CG 3.24Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.3Å; T356-Q359 PolarHBondContact OG1-N 3.01Å; T356-Q359 PolarHBondContact OG1-OE1 3.12Å; Q359-V361 PolarHBondContact O-N 2.89Å; Q359-R362 PolarHBondContact O-N 2.75Å; Q359-S363 WeakPolarHBondContact O-CB 3.36Å; Q359-S363 PolarHBondContact O-N 3.38Å; Q359-S363 PolarHBondContact O-OG 2.96Å
360F95.4Very high89.8Confident26 Ų2680.4 Ų80.411%0.11447%0.469CS..Hα-helixtrans-55-50.5177.6177.6-102.2000111.8L352 L355 T356 L357 R362 S363 V364 A379 V426L352-F360 HydrophobicContact CB-CD2 4.21Å; L352-F360 HydrophobicContact CB-CE2 4.23Å; L355-F360 HydrophobicContact CB-CB 4.36Å; T356-F360 PolarHBondContact O-N 3.45Å; L357-F360 PolarHBondContact O-N 3.28Å; F360-R362 PolarHBondContact O-N 3.27Å; F360-S363 WeakPolarHBondContact O-CB 3.37Å; F360-S363 PolarHBondContact O-N 2.89Å; F360-V364 HydrophobicContact CD1-CG2 4.48Å; F360-V364 HydrophobicContact CE1-CG2 4.09Å; F360-V364 HydrophobicContact CE2-CG2 4.32Å; F360-V364 HydrophobicContact CZ-CG2 4.01Å; F360-V364 WeakPolarHBondContact O-CG2 3.09Å; F360-V364 PolarHBondContact O-N 2.81Å; F360-A379 HydrophobicContact CE1-CB 4.15Å; F360-A379 HydrophobicContact CZ-CB 4.14Å; F360-V426 HydrophobicContact CE2-CG1 3.89Å; F360-V426 HydrophobicContact CZ-CG1 4.33Å
361V96.6Very high91Very high88 Ų8878 Ų7853%0.53344%0.442SS..Hα-helixtrans-61.6-42179.2171.90000111.9L357 Q359 S363 V364 G365L357-V361 HydrophobicContact CD1-CG2 4.17Å; L357-V361 WeakPolarHBondContact O-CB 3.13Å; L357-V361 VanDerWaalsContact O-CG2 3.28Å; L357-V361 WeakPolarHBondContact O-CG2 3.42Å; L357-V361 PolarHBondContact O-N 2.86Å; Q359-V361 PolarHBondContact O-N 2.89Å; V361-S363 VanDerWaalsContact C-N 3.35Å; V361-V364 PolarHBondContact O-N 2.94Å; V361-G365 PolarHBondContact O-N 3.46Å; V361-G365 VanDerWaalsContact O-N 3.14Å
362R96Very high91.5Very high164 Ų16477.9 Ų77.962%0.61944%0.441SS*.Hα-helixtrans-65.9-37.2176.6-76.1175.9175.3167-0.3112.3Q358 Q359 F360 G365 A366Q358-R362 VanDerWaalsContact NE2-NH2 3.19Å; Q358-R362 WeakPolarHBondContact O-CB 3.3Å; Q358-R362 VanDerWaalsContact O-CG 3.29Å; Q358-R362 WeakPolarHBondContact O-CG 3.43Å; Q358-R362 PolarHBondContact O-N 2.98Å; Q358-R362 VanDerWaalsContact O-N 3.12Å; Q359-R362 PolarHBondContact O-N 2.75Å; F360-R362 PolarHBondContact O-N 3.27Å; R362-G365 CarbonylContact O-C 3.59Å; R362-G365 PolarHBondContact O-N 2.53Å; R362-A366 PolarHBondContact O-N 2.92Å; R362-A366 VanDerWaalsContact O-N 3.13Å
363S93.3Very high91.9Very high41 Ų4178.7 Ų78.729%0.28746%0.456SS..Hα-helixtrans-65.5-41.3176.2-640000111.8Q359 F360 V361 G365 A366Q359-S363 WeakPolarHBondContact O-CB 3.36Å; Q359-S363 PolarHBondContact O-N 3.38Å; Q359-S363 PolarHBondContact O-OG 2.96Å; F360-S363 WeakPolarHBondContact O-CB 3.37Å; F360-S363 PolarHBondContact O-N 2.89Å; V361-S363 VanDerWaalsContact C-N 3.35Å; S363-G365 VanDerWaalsContact C-N 3.3Å; S363-G365 PolarHBondContact O-N 3.18Å; S363-A366 VanDerWaalsContact O-CB 3.29Å; S363-A366 WeakPolarHBondContact O-CB 3.24Å; S363-A366 PolarHBondContact O-N 2.75Å; S363-A366 VanDerWaalsContact O-N 3.17Å
364V94.8Very high92.1Very high51 Ų5175.8 Ų75.831%0.30944%0.439SS..Hα-helixtrans-61.8-38.3174171.30000111.7F360 V361 A366 P371 V376F360-V364 HydrophobicContact CD1-CG2 4.48Å; F360-V364 HydrophobicContact CE1-CG2 4.09Å; F360-V364 HydrophobicContact CE2-CG2 4.32Å; F360-V364 HydrophobicContact CZ-CG2 4.01Å; F360-V364 WeakPolarHBondContact O-CG2 3.09Å; F360-V364 PolarHBondContact O-N 2.81Å; V361-V364 PolarHBondContact O-N 2.94Å; V364-A366 VanDerWaalsContact C-N 3.28Å; V364-A366 PolarHBondContact O-N 2.87Å; V364-P371 HydrophobicContact CG2-CB 4.23Å; V364-P371 HydrophobicContact CG2-CG 3.8Å; V364-V376 HydrophobicContact CB-CG2 4.4Å; V364-V376 HydrophobicContact CG1-CG2 3.68Å; V364-V376 HydrophobicContact CG2-CG2 3.77Å
365G94.4Very high92.5Very high70 Ų7071.5 Ų71.572%0.72241%0.409SS*.THydrogen-bonded Turntrans-80.8-1.4177.300000114.9V361 R362 S363V361-G365 PolarHBondContact O-N 3.46Å; V361-G365 VanDerWaalsContact O-N 3.14Å; R362-G365 CarbonylContact O-C 3.59Å; R362-G365 PolarHBondContact O-N 2.53Å; S363-G365 VanDerWaalsContact C-N 3.3Å; S363-G365 PolarHBondContact O-N 3.18Å
366A93.9Very high92.8Very high47 Ų4771 Ų7139%0.38841%0.408SS..SBendtrans-77.5163.7-177.400000111.8R362 S363 V364 T368R362-A366 PolarHBondContact O-N 2.92Å; R362-A366 VanDerWaalsContact O-N 3.13Å; S363-A366 VanDerWaalsContact O-CB 3.29Å; S363-A366 WeakPolarHBondContact O-CB 3.24Å; S363-A366 PolarHBondContact O-N 2.75Å; S363-A366 VanDerWaalsContact O-N 3.17Å; V364-A366 VanDerWaalsContact C-N 3.28Å; V364-A366 PolarHBondContact O-N 2.87Å; A366-T368 HydrophobicContact CB-CG2 4.41Å; A366-T368 PolarHBondContact O-N 2.77Å
367R91.9Very high93Very high264 Ų26467.8 Ų67.8100%0.99639%0.389SS*.SBendtrans-79.959174.3-165.9-176.5177.1-178.7-0.6111
368T86.4Confident93.1Very high88 Ų8861.5 Ų61.554%0.5436%0.356SS..SBendtrans-126.3161.9176.357.70000109.9A366 A370A366-T368 HydrophobicContact CB-CG2 4.41Å; A366-T368 PolarHBondContact O-N 2.77Å; T368-A370 WeakPolarHBondContact CB-O 3.46Å; T368-A370 PolarHBondContact OG1-O 3.2Å
369A79.5Confident93.2Very high73 Ų7356.7 Ų56.760%0.60334%0.337SS*.SBendtrans-83.8-19.5179.100000113.2F433A369-F433 HydrophobicContact CB-CE1 3.62Å; A369-F433 HydrophobicContact CB-CZ 3.66Å
370A82.5Confident93.3Very high22 Ų2254.3 Ų54.318%0.18233%0.329CS..  trans-143.3152.6173.700000109.2T368 F433T368-A370 WeakPolarHBondContact CB-O 3.46Å; T368-A370 PolarHBondContact OG1-O 3.2Å; A370-F433 HydrophobicContact CB-CD1 3.97Å; A370-F433 HydrophobicContact CB-CE1 4.45Å
371P88.5Confident93.5Very high13 Ų1353.1 Ų53.18%0.08432%0.324CS..SBendcis-67.4151.6-4.329.5-35.9000113.1L352 V364L352-P371 HydrophobicContact CD1-CB 3.68Å; L352-P371 HydrophobicContact CD1-CG 4.44Å; L352-P371 HydrophobicContact CD2-CB 3.98Å; L352-P371 HydrophobicContact CD2-CG 3.81Å; L352-P371 HydrophobicContact CG-CB 4.5Å; V364-P371 HydrophobicContact CG2-CB 4.23Å; V364-P371 HydrophobicContact CG2-CG 3.8Å
372G90.4Very high93.6Very high24 Ų2449.1 Ų49.125%0.24730%0.3CS..  trans-130.2-160.1-17100000114.2G374 S375 V376G372-G374 VanDerWaalsContact C-N 3.3Å; G372-G374 PolarHBondContact O-N 3.22Å; G372-S375 PolarHBondContact N-OG 3.32Å; G372-S375 PolarHBondContact O-N 3.16Å; G372-V376 WeakPolarHBondContact O-CG2 3.48Å; G372-V376 PolarHBondContact O-N 2.89Å; G372-V376 VanDerWaalsContact O-N 3.09Å
373G94.3Very high93.7Very high42 Ų4246.7 Ų46.743%0.43330%0.299SS..Hα-helixtrans-60.4-34.8-177.400000113.9S377G373-S377 WeakPolarHBondContact O-CB 3.33Å; G373-S377 PolarHBondContact O-N 2.99Å; G373-S377 PolarHBondContact O-OG 3.46Å
374G95.1Very high94Very high4 Ų444.7 Ų44.74%0.04129%0.285CS..Hα-helixtrans-64.3-49.5176.200000112G372 V376 S377 A378 D429 N514G372-G374 VanDerWaalsContact C-N 3.3Å; G372-G374 PolarHBondContact O-N 3.22Å; G374-V376 VanDerWaalsContact C-N 3.32Å; G374-V376 PolarHBondContact O-N 3.23Å; G374-S377 WeakPolarHBondContact O-CB 3.45Å; G374-S377 PolarHBondContact O-N 3.25Å; G374-S377 VanDerWaalsContact O-N 3.08Å; G374-A378 PolarHBondContact O-N 2.9Å; G374-D429 WeakPolarHBondContact CA-OD1 3.23Å; G374-N514 PolarHBondContact N-ND2 2.87Å; G374-N514 PolarHBondContact N-OD1 3.26Å
375S95.8Very high94.2Very high0 Ų042.3 Ų42.30%027%0.27CS..Hα-helixtrans-61.3-39.9178.4-20.90000111.8G372 A378 A379 D429G372-S375 PolarHBondContact N-OG 3.32Å; G372-S375 PolarHBondContact O-N 3.16Å; S375-A378 PolarHBondContact O-N 2.9Å; S375-A379 PolarHBondContact O-N 3.4Å; S375-D429 PolarHBondContact N-OD2 3.44Å; S375-D429 PolarHBondContact OG-OD2 3.27Å
376V97.8Very high94.4Very high49 Ų4940.3 Ų40.330%0.29725%0.247SC..Hα-helixtrans-66.3-40.6174.1174.90000111.5V364 G372 G374 A378 A379 V380V364-V376 HydrophobicContact CB-CG2 4.4Å; V364-V376 HydrophobicContact CG1-CG2 3.68Å; V364-V376 HydrophobicContact CG2-CG2 3.77Å; G372-V376 WeakPolarHBondContact O-CG2 3.48Å; G372-V376 PolarHBondContact O-N 2.89Å; G372-V376 VanDerWaalsContact O-N 3.09Å; G374-V376 VanDerWaalsContact C-N 3.32Å; G374-V376 PolarHBondContact O-N 3.23Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-A378 PolarHBondContact O-N 3.38Å; V376-A379 PolarHBondContact O-N 3.43Å; V376-V380 HydrophobicContact CG1-CG2 4.19Å; V376-V380 WeakPolarHBondContact O-CG2 3.44Å; V376-V380 PolarHBondContact O-N 3.3Å
377S98.5Very high94.6Very high12 Ų1240 Ų408%0.08424%0.239CC..Hα-helixtrans-60.7-42.8177.3-55.90000111G373 G374 V380 G381 A507 G510G373-S377 WeakPolarHBondContact O-CB 3.33Å; G373-S377 PolarHBondContact O-N 2.99Å; G373-S377 PolarHBondContact O-OG 3.46Å; G374-S377 WeakPolarHBondContact O-CB 3.45Å; G374-S377 PolarHBondContact O-N 3.25Å; G374-S377 VanDerWaalsContact O-N 3.08Å; S377-V380 PolarHBondContact O-N 3.3Å; S377-G381 PolarHBondContact O-N 2.96Å; S377-A507 WeakPolarHBondContact O-CB 3.5Å; S377-G510 VanDerWaalsContact OG-CA 3.25Å; S377-G510 WeakPolarHBondContact OG-CA 3.49Å
378A98.1Very high94.9Very high1 Ų127.4 Ų27.41%0.00819%0.191CC..Hα-helixtrans-61.9-46.7175.400000111.6G374 S375 V376 V380 G381 A382 L425 V426 L471G374-A378 PolarHBondContact O-N 2.9Å; S375-A378 PolarHBondContact O-N 2.9Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-A378 PolarHBondContact O-N 3.38Å; A378-V380 PolarHBondContact O-N 2.9Å; A378-G381 PolarHBondContact O-N 3.33Å; A378-A382 WeakPolarHBondContact O-CB 3.47Å; A378-A382 PolarHBondContact O-N 2.89Å; A378-L425 HydrophobicContact CB-CB 3.95Å; A378-V426 HydrophobicContact CB-CB 4.49Å; A378-V426 HydrophobicContact CB-CG2 3.75Å; A378-L471 VanDerWaalsContact CA-CD1 3.44Å; A378-L471 HydrophobicContact CB-CD1 3.91Å
379A98.3Very high95.4Very high20 Ų2023.4 Ų23.417%0.16517%0.167CC..Hα-helixtrans-61.7-44.2177.700000112.6F360 S375 V376 G381 A382 L383 V426F360-A379 HydrophobicContact CE1-CB 4.15Å; F360-A379 HydrophobicContact CZ-CB 4.14Å; S375-A379 PolarHBondContact O-N 3.4Å; V376-A379 PolarHBondContact O-N 3.43Å; A379-G381 VanDerWaalsContact C-N 3.35Å; A379-A382 PolarHBondContact O-N 3.32Å; A379-L383 WeakPolarHBondContact O-CG 3.44Å; A379-L383 PolarHBondContact O-N 3.45Å; A379-V426 HydrophobicContact CB-CG2 4.17Å
380V98.6Very high96.3Very high42 Ų4223.7 Ų23.726%0.25516%0.157SC..Hα-helixtrans-65.1-40176.5172.80000111V376 S377 A378 L383 G384 A503 T506V376-V380 HydrophobicContact CG1-CG2 4.19Å; V376-V380 WeakPolarHBondContact O-CG2 3.44Å; V376-V380 PolarHBondContact O-N 3.3Å; S377-V380 PolarHBondContact O-N 3.3Å; A378-V380 PolarHBondContact O-N 2.9Å; V380-L383 PolarHBondContact O-N 3.12Å; V380-G384 PolarHBondContact O-N 3.49Å; V380-A503 HydrophobicContact CG1-CB 4.04Å; V380-A503 WeakPolarHBondContact CG1-O 3.37Å; V380-T506 HydrophobicContact CG1-CG2 4.42Å
381G98.7Very high97Very high0 Ų022.8 Ų22.80%015%0.149CC..Hα-helixtrans-61.3-45.3174.100000112.3S377 A378 A379 L383 G384 A385 L422 L504 A507S377-G381 PolarHBondContact O-N 2.96Å; A378-G381 PolarHBondContact O-N 3.33Å; A379-G381 VanDerWaalsContact C-N 3.35Å; G381-L383 PolarHBondContact O-N 2.96Å; G381-G384 PolarHBondContact O-N 3.28Å; G381-A385 PolarHBondContact O-N 2.88Å; G381-L422 VanDerWaalsContact C-CD1 3.49Å; G381-L504 WeakPolarHBondContact O-CD2 3.48Å; G381-A507 VanDerWaalsContact CA-CB 3.47Å
382A98.6Very high97.4Very high5 Ų522.1 Ų22.14%0.04115%0.145CC..Hα-helixtrans-60.4-43.4176.800000111.8A378 A379 A385 A386 L422 L423A378-A382 WeakPolarHBondContact O-CB 3.47Å; A378-A382 PolarHBondContact O-N 2.89Å; A379-A382 PolarHBondContact O-N 3.32Å; A382-A385 PolarHBondContact O-N 2.88Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 2.94Å; A382-L422 HydrophobicContact CB-CB 3.86Å; A382-L423 HydrophobicContact CB-CD2 4Å; A382-L423 HydrophobicContact CB-CG 3.97Å
383L98.7Very high97.8Very high112 Ų11225.2 Ų25.259%0.58615%0.153SC*.Hα-helixtrans-63.3-40.4174.3-70.6172.9000112.3A379 V380 G381 A386 L387A379-L383 WeakPolarHBondContact O-CG 3.44Å; A379-L383 PolarHBondContact O-N 3.45Å; V380-L383 PolarHBondContact O-N 3.12Å; G381-L383 PolarHBondContact O-N 2.96Å; L383-A386 WeakPolarHBondContact O-CB 3.18Å; L383-A386 PolarHBondContact O-N 2.86Å; L383-L387 WeakPolarHBondContact O-CG 3.34Å; L383-L387 PolarHBondContact O-N 3.28Å
384G98.8Very high97.9Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-62.2-44.4175.100000112.4V380 G381 L387 G388 A500V380-G384 PolarHBondContact O-N 3.49Å; G381-G384 PolarHBondContact O-N 3.28Å; G384-L387 PolarHBondContact O-N 2.92Å; G384-G388 PolarHBondContact O-N 3.21Å; G384-G388 VanDerWaalsContact O-N 3.12Å; G384-A500 WeakPolarHBondContact O-CB 3.24Å
385A98.8Very high97.9Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-64.5-41.5174.700000111.7G381 A382 L387 G388 A389 F415 A418 M419 L422 L478 L504G381-A385 PolarHBondContact O-N 2.88Å; A382-A385 PolarHBondContact O-N 2.88Å; A385-L387 PolarHBondContact O-N 3.44Å; A385-G388 WeakPolarHBondContact O-CA 3.38Å; A385-G388 PolarHBondContact O-N 3.25Å; A385-G388 VanDerWaalsContact O-N 3.12Å; A385-A389 PolarHBondContact O-N 2.99Å; A385-F415 WeakPolarHBondContact O-CB 3.28Å; A385-A418 HydrophobicContact CB-CB 4.25Å; A385-M419 HydrophobicContact CB-CB 4Å; A385-L422 HydrophobicContact CB-CD1 4.27Å; A385-L478 HydrophobicContact CB-CD1 4.11Å; A385-L504 HydrophobicContact CB-CD2 4.48Å
386A98.6Very high98Very high29 Ų2929.6 Ų29.624%0.2416%0.159CC..Hα-helixtrans-58.7-43.7176.200000112.4A382 L383 A389 M390 M419A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 2.94Å; L383-A386 WeakPolarHBondContact O-CB 3.18Å; L383-A386 PolarHBondContact O-N 2.86Å; A386-A389 PolarHBondContact O-N 3.48Å; A386-M390 WeakPolarHBondContact O-CB 3.39Å; A386-M390 PolarHBondContact O-N 3.4Å; A386-M419 HydrophobicContact CB-CG 3.95Å; A386-M419 HydrophobicContact CB-SD 3.48Å; A386-M419 WeakPolarHBondContact CB-SD 3.47Å
387L98.6Very high97.8Very high40 Ų4030.3 Ų30.321%0.20918%0.177CC..Hα-helixtrans-62.9-41.5174.4-73.6170.6000111.6L383 G384 A385 A389 M390 V391 D496 V499 A500L383-L387 WeakPolarHBondContact O-CG 3.34Å; L383-L387 PolarHBondContact O-N 3.28Å; G384-L387 PolarHBondContact O-N 2.92Å; A385-L387 PolarHBondContact O-N 3.44Å; L387-A389 VanDerWaalsContact C-N 3.35Å; L387-A389 PolarHBondContact O-N 2.84Å; L387-M390 HydrophobicContact CD2-SD 4.37Å; L387-M390 PolarHBondContact O-N 3.49Å; L387-V391 VanDerWaalsContact O-CG2 3.25Å; L387-V391 WeakPolarHBondContact O-CG2 3.33Å; L387-V391 PolarHBondContact O-N 3.09Å; L387-D496 HydrophobicContact CD2-CB 4.22Å; L387-V499 HydrophobicContact CD1-CB 4Å; L387-V499 HydrophobicContact CD1-CG1 3.58Å; L387-A500 HydrophobicContact CB-CB 3.7Å; L387-A500 HydrophobicContact CD1-CB 4.47Å
388G98Very high97.5Very high0 Ų033.7 Ų33.70%019%0.19CC..Hα-helixtrans-57.5-45.7173.200000112.6G384 A385 G392 M485G384-G388 PolarHBondContact O-N 3.21Å; G384-G388 VanDerWaalsContact O-N 3.12Å; A385-G388 WeakPolarHBondContact O-CA 3.38Å; A385-G388 PolarHBondContact O-N 3.25Å; A385-G388 VanDerWaalsContact O-N 3.12Å; G388-G392 PolarHBondContact O-N 3.12Å; G388-M485 WeakPolarHBondContact O-CE 3.4Å
389A98.1Very high97.3Very high4 Ų444.7 Ų44.73%0.03323%0.231CC..Hα-helixtrans-63.6-45.4175.500000111.8A385 A386 L387 V391 G392 Q393 I412 F415 H416A385-A389 PolarHBondContact O-N 2.99Å; A386-A389 PolarHBondContact O-N 3.48Å; L387-A389 VanDerWaalsContact C-N 3.35Å; L387-A389 PolarHBondContact O-N 2.84Å; A389-V391 PolarHBondContact O-N 2.88Å; A389-G392 PolarHBondContact O-N 3.38Å; A389-Q393 WeakPolarHBondContact O-CG 3.24Å; A389-Q393 PolarHBondContact O-N 3.44Å; A389-I412 HydrophobicContact CB-CG2 4.34Å; A389-F415 HydrophobicContact CB-CB 3.75Å; A389-H416 HydrophobicContact CB-CB 4.43Å
390M97.9Very high97.2Very high78 Ų7850.5 Ų50.538%0.38426%0.255SS..Hα-helixtrans-57.7-45.8178.6176.5-171.8165.200111.7A386 L387 G392 Q393 M394A386-M390 WeakPolarHBondContact O-CB 3.39Å; A386-M390 PolarHBondContact O-N 3.4Å; L387-M390 HydrophobicContact CD2-SD 4.37Å; L387-M390 PolarHBondContact O-N 3.49Å; M390-G392 VanDerWaalsContact C-N 3.26Å; M390-G392 PolarHBondContact O-N 3.03Å; M390-Q393 PolarHBondContact O-N 3.28Å; M390-Q393 VanDerWaalsContact O-N 3.16Å; M390-M394 HydrophobicContact CE-CG 4.29Å; M390-M394 HydrophobicContact CG-CG 4.11Å; M390-M394 WeakPolarHBondContact O-CB 3.47Å; M390-M394 VanDerWaalsContact O-CG 3.25Å; M390-M394 WeakPolarHBondContact O-CG 3.5Å; M390-M394 PolarHBondContact O-N 3.5Å
391V97.6Very high97.1Very high3 Ų350 Ų502%0.01825%0.25CC..Hα-helixtrans-57.5-43.6178.7175.10000110.5L387 A389 M394 T395 M485 C493 D496 A497L387-V391 VanDerWaalsContact O-CG2 3.25Å; L387-V391 WeakPolarHBondContact O-CG2 3.33Å; L387-V391 PolarHBondContact O-N 3.09Å; A389-V391 PolarHBondContact O-N 2.88Å; V391-M394 PolarHBondContact O-N 3.4Å; V391-T395 PolarHBondContact O-N 3.35Å; V391-T395 PolarHBondContact O-OG1 3.17Å; V391-M485 HydrophobicContact CB-CG 3.86Å; V391-M485 HydrophobicContact CG1-CG 3.51Å; V391-M485 HydrophobicContact CG1-SD 4.24Å; V391-C493 HydrophobicContact CB-CB 4.39Å; V391-C493 HydrophobicContact CG1-CB 4.12Å; V391-C493 HydrophobicContact CG2-CB 3.96Å; V391-D496 HydrophobicContact CG2-CB 3.92Å; V391-A497 HydrophobicContact CG2-CB 4.11Å
392G97.4Very high96.9Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-66-43.9176.300000112.5G388 A389 M390 M394 T395 Y396 M485G388-G392 PolarHBondContact O-N 3.12Å; A389-G392 PolarHBondContact O-N 3.38Å; M390-G392 VanDerWaalsContact C-N 3.26Å; M390-G392 PolarHBondContact O-N 3.03Å; G392-M394 VanDerWaalsContact C-N 3.33Å; G392-M394 PolarHBondContact O-N 3.47Å; G392-T395 WeakPolarHBondContact O-CA 3.44Å; G392-T395 WeakPolarHBondContact O-CB 3.43Å; G392-T395 PolarHBondContact O-N 3.01Å; G392-Y396 WeakPolarHBondContact O-CB 3.37Å; G392-Y396 PolarHBondContact O-N 3.17Å; G392-M485 WeakPolarHBondContact CA-SD 3.49Å; G392-M485 PolarHBondContact N-SD 2.71Å
393Q96.9Very high96.8Very high88 Ų8863.1 Ų63.141%0.41131%0.314SS..Hα-helixtrans-62.9-37175.8-70.4-170.59.800112.8A389 M390 T395 Y396 I412A389-Q393 WeakPolarHBondContact O-CG 3.24Å; A389-Q393 PolarHBondContact O-N 3.44Å; M390-Q393 PolarHBondContact O-N 3.28Å; M390-Q393 VanDerWaalsContact O-N 3.16Å; Q393-T395 PolarHBondContact O-N 2.89Å; Q393-T395 VanDerWaalsContact O-N 3.17Å; Q393-Y396 PolarHBondContact O-N 2.97Å; Q393-I412 HydrophobicContact CG-CD1 4.3Å; Q393-I412 HydrophobicContact CG-CG2 4.16Å
394M97.1Very high96.7Very high72 Ų7259 Ų5936%0.35529%0.293SS..THydrogen-bonded Turntrans-67.5-13.5176.2-72.3-61.7-77.200113.3M390 V391 G392 K398M390-M394 HydrophobicContact CE-CG 4.29Å; M390-M394 HydrophobicContact CG-CG 4.11Å; M390-M394 WeakPolarHBondContact O-CB 3.47Å; M390-M394 VanDerWaalsContact O-CG 3.25Å; M390-M394 WeakPolarHBondContact O-CG 3.5Å; M390-M394 PolarHBondContact O-N 3.5Å; V391-M394 PolarHBondContact O-N 3.4Å; G392-M394 VanDerWaalsContact C-N 3.33Å; G392-M394 PolarHBondContact O-N 3.47Å; M394-K398 WeakPolarHBondContact O-CE 3.2Å; M394-K398 PolarHBondContact O-NZ 3.3Å
395T96.1Very high96.6Very high0 Ų060.9 Ų60.90%030%0.303CS..THydrogen-bonded Turntrans-99.5-41.9175.8-45.40000111.3V391 G392 Q393 F401 L404 M408 G489 N490V391-T395 PolarHBondContact O-N 3.35Å; V391-T395 PolarHBondContact O-OG1 3.17Å; G392-T395 WeakPolarHBondContact O-CA 3.44Å; G392-T395 WeakPolarHBondContact O-CB 3.43Å; G392-T395 PolarHBondContact O-N 3.01Å; Q393-T395 PolarHBondContact O-N 2.89Å; Q393-T395 VanDerWaalsContact O-N 3.17Å; T395-F401 HydrophobicContact CG2-CB 3.95Å; T395-F401 HydrophobicContact CG2-CD1 4.25Å; T395-F401 HydrophobicContact CG2-CD2 3.88Å; T395-F401 HydrophobicContact CG2-CE2 4.39Å; T395-F401 HydrophobicContact CG2-CG 3.79Å; T395-F401 VanDerWaalsContact O-CB 3.25Å; T395-F401 WeakPolarHBondContact O-CB 3.48Å; T395-F401 VanDerWaalsContact O-CD2 3.26Å; T395-F401 WeakPolarHBondContact O-CD2 3.32Å; T395-L404 HydrophobicContact CG2-CD1 4.17Å; T395-M408 HydrophobicContact CG2-CE 4.1Å; T395-M408 HydrophobicContact CG2-CG 3.96Å; T395-M408 HydrophobicContact CG2-SD 3.91Å; T395-G489 WeakPolarHBondContact OG1-CA 3.42Å; T395-N490 PolarHBondContact OG1-N 3.39Å
396Y96.6Very high96.4Very high66 Ų6663 Ų6326%0.25933%0.325SS..THydrogen-bonded Turntrans-64.7147.1-178.8176.8-101.3000113.1F310 G392 Q393 K398 D405 M408 R409 I412F310-Y396 HydrophobicContact CD1-CD1 4.33Å; F310-Y396 HydrophobicContact CD1-CD2 4.28Å; F310-Y396 AromaticContact CD1-CE1 3.69Å; F310-Y396 HydrophobicContact CD1-CE1 3.69Å; F310-Y396 AromaticContact CD1-CE2 3.62Å; F310-Y396 HydrophobicContact CD1-CE2 3.62Å; F310-Y396 AromaticContact CD1-CZ 3.31Å; F310-Y396 WeakPolarHBondContact CD1-OH 3.33Å; F310-Y396 HydrophobicContact CE1-CD1 4.17Å; F310-Y396 HydrophobicContact CE1-CD2 4.17Å; F310-Y396 AromaticContact CE1-CE1 3.98Å; F310-Y396 HydrophobicContact CE1-CE1 3.98Å; F310-Y396 AromaticContact CE1-CE2 3.97Å; F310-Y396 HydrophobicContact CE1-CE2 3.97Å; F310-Y396 HydrophobicContact CE1-CG 4.28Å; F310-Y396 AromaticContact CE1-CZ 3.91Å; F310-Y396 HydrophobicContact CG-CE2 4.39Å; G392-Y396 WeakPolarHBondContact O-CB 3.37Å; G392-Y396 PolarHBondContact O-N 3.17Å; Q393-Y396 PolarHBondContact O-N 2.97Å; Y396-K398 PolarHBondContact O-N 2.93Å; Y396-K398 VanDerWaalsContact O-N 3.1Å; Y396-D405 WeakPolarHBondContact CD2-OD1 3.48Å; Y396-D405 WeakPolarHBondContact CE2-OD1 3.25Å; Y396-M408 HydrophobicContact CD2-CB 4.18Å; Y396-R409 HydrophobicContact CD2-CG 4.46Å; Y396-R409 HydrophobicContact CE2-CG 3.93Å; Y396-I412 HydrophobicContact CG-CD1 4.24Å
397G93.2Very high96.3Very high65 Ų6564 Ų6467%0.6733%0.328SS*.THydrogen-bonded Turntrans71.8-0.9172.500000116.3
398K93Very high96.3Very high82 Ų8262 Ų6236%0.35732%0.318SS..  trans-94.6134.3175-65.9-178.2-177.6163.60110.8M394 Y396 Q400 F401 E402M394-K398 WeakPolarHBondContact O-CE 3.2Å; M394-K398 PolarHBondContact O-NZ 3.3Å; Y396-K398 PolarHBondContact O-N 2.93Å; Y396-K398 VanDerWaalsContact O-N 3.1Å; K398-Q400 HydrophobicContact CB-CG 4.4Å; K398-Q400 PolarHBondContact O-N 2.98Å; K398-Q400 VanDerWaalsContact O-N 3.09Å; K398-F401 HydrophobicContact CB-CD2 4.03Å; K398-F401 HydrophobicContact CD-CD2 4.37Å; K398-F401 HydrophobicContact CD-CE2 4.4Å; K398-F401 CarbonylContact O-C 3.6Å; K398-F401 PolarHBondContact O-N 3.33Å; K398-E402 PolarHBondContact O-N 2.92Å
399R94.8Very high96.2Very high232 Ų23265.9 Ų65.988%0.87533%0.332SS*.G310 helixtrans-50-39.5-179.1-174.1177.9178.2178.8-0114.1F401 E402R399-F401 PolarHBondContact O-N 2.75Å; R399-E402 PolarHBondContact O-N 2.87Å
400Q95Very high96.2Very high142 Ų14273.5 Ų73.566%0.66437%0.365SS*.G310 helixtrans-68.7-13-179.568.9-174.446.400114.5K398K398-Q400 HydrophobicContact CB-CG 4.4Å; K398-Q400 PolarHBondContact O-N 2.98Å; K398-Q400 VanDerWaalsContact O-N 3.09Å
401F96.1Very high96.2Very high33 Ų3370.7 Ų70.715%0.14535%0.351CS..G310 helixtrans-121.919.2-177.7-58-52000112.2T395 K398 R399 N403 L404 D405 N490T395-F401 HydrophobicContact CG2-CB 3.95Å; T395-F401 HydrophobicContact CG2-CD1 4.25Å; T395-F401 HydrophobicContact CG2-CD2 3.88Å; T395-F401 HydrophobicContact CG2-CE2 4.39Å; T395-F401 HydrophobicContact CG2-CG 3.79Å; T395-F401 VanDerWaalsContact O-CB 3.25Å; T395-F401 WeakPolarHBondContact O-CB 3.48Å; T395-F401 VanDerWaalsContact O-CD2 3.26Å; T395-F401 WeakPolarHBondContact O-CD2 3.32Å; K398-F401 HydrophobicContact CB-CD2 4.03Å; K398-F401 HydrophobicContact CD-CD2 4.37Å; K398-F401 HydrophobicContact CD-CE2 4.4Å; K398-F401 CarbonylContact O-C 3.6Å; K398-F401 PolarHBondContact O-N 3.33Å; R399-F401 PolarHBondContact O-N 2.75Å; F401-N403 PolarHBondContact O-N 2.86Å; F401-L404 HydrophobicContact CD1-CD1 4.3Å; F401-L404 WeakPolarHBondContact O-CA 3.43Å; F401-L404 WeakPolarHBondContact O-CB 3.45Å; F401-L404 PolarHBondContact O-N 3.31Å; F401-D405 PolarHBondContact O-N 2.97Å; F401-N490 HydrophobicContact CE2-CB 3.99Å; F401-N490 HydrophobicContact CZ-CB 3.95Å
402E95Very high96.2Very high145 Ų14570.5 Ų70.568%0.67835%0.35SS*.G310 helixtrans-58.1-35.6-177-174.9172.9-162.800112.6K398 R399 L404 D405K398-E402 PolarHBondContact O-N 2.92Å; R399-E402 PolarHBondContact O-N 2.87Å; E402-L404 PolarHBondContact O-N 2.64Å; E402-L404 VanDerWaalsContact O-N 3.15Å; E402-D405 VanDerWaalsContact O-CB 3.3Å; E402-D405 WeakPolarHBondContact O-CB 3.24Å; E402-D405 PolarHBondContact O-N 2.57Å; E402-D405 VanDerWaalsContact O-N 3.11Å
403N96.4Very high96.2Very high134 Ų13472.8 Ų72.872%0.71736%0.364SS*.G310 helixtrans-63.8-16.2173.965.8-44.5000113.9F401F401-N403 PolarHBondContact O-N 2.86Å
404L97Very high96.3Very high27 Ų2770.8 Ų70.814%0.14136%0.359CS..G310 helixtrans-102.10.9178.1-60.1176.3000112.8T395 F401 E402 G406 V407 M408 F488T395-L404 HydrophobicContact CG2-CD1 4.17Å; F401-L404 HydrophobicContact CD1-CD1 4.3Å; F401-L404 WeakPolarHBondContact O-CA 3.43Å; F401-L404 WeakPolarHBondContact O-CB 3.45Å; F401-L404 PolarHBondContact O-N 3.31Å; E402-L404 PolarHBondContact O-N 2.64Å; E402-L404 VanDerWaalsContact O-N 3.15Å; L404-G406 PolarHBondContact O-N 2.93Å; L404-V407 HydrophobicContact CD2-CG2 4.45Å; L404-V407 WeakPolarHBondContact O-CA 3.48Å; L404-V407 WeakPolarHBondContact O-CB 3.45Å; L404-V407 PolarHBondContact O-N 3.16Å; L404-M408 HydrophobicContact CB-CE 4.45Å; L404-M408 WeakPolarHBondContact O-CG 3.29Å; L404-M408 PolarHBondContact O-N 3.09Å; L404-F488 WeakPolarHBondContact CD1-O 2.94Å; L404-F488 HydrophobicContact CD2-CB 4.35Å; L404-F488 HydrophobicContact CD2-CD1 4.48Å
405D95.5Very high96.3Very high39 Ų3967.3 Ų67.321%0.20934%0.342CS..Hα-helixtrans-54-53.4-176.5-169.380.6000111.5Y396 F401 E402 V407 M408 R409Y396-D405 WeakPolarHBondContact CD2-OD1 3.48Å; Y396-D405 WeakPolarHBondContact CE2-OD1 3.25Å; F401-D405 PolarHBondContact O-N 2.97Å; E402-D405 VanDerWaalsContact O-CB 3.3Å; E402-D405 WeakPolarHBondContact O-CB 3.24Å; E402-D405 PolarHBondContact O-N 2.57Å; E402-D405 VanDerWaalsContact O-N 3.11Å; D405-V407 PolarHBondContact O-N 2.9Å; D405-M408 PolarHBondContact O-N 2.98Å; D405-M408 VanDerWaalsContact O-N 3.15Å; D405-R409 WeakPolarHBondContact O-CG 3.37Å; D405-R409 PolarHBondContact O-N 2.84Å; D405-R409 IonicContact OD2-CZ 2.75Å; D405-R409 VanDerWaalsContact OD2-CZ 3.31Å; D405-R409 IonicContact OD2-NE 3.97Å; D405-R409 PolarHBondContact OD2-NE 3.5Å; D405-R409 IonicContact OD2-NH2 3.92Å; D405-R409 PolarHBondContact OD2-NH2 3.05Å; D405-R409 VanDerWaalsContact OD2-NH2 3.08Å
406G95.8Very high96.4Very high45 Ų4568.3 Ų68.346%0.46435%0.347SS..Hα-helixtrans-63.3-23.1177.700000114.5L404 K410L404-G406 PolarHBondContact O-N 2.93Å; G406-K410 WeakPolarHBondContact O-CG 3.39Å
407V96.9Very high96.4Very high48 Ų4870.4 Ų70.429%0.29136%0.359SS..Hα-helixtrans-76.3-50.3173.1-178.70000109.5L404 D405 R409 K410 L411 F488L404-V407 HydrophobicContact CD2-CG2 4.45Å; L404-V407 WeakPolarHBondContact O-CA 3.48Å; L404-V407 WeakPolarHBondContact O-CB 3.45Å; L404-V407 PolarHBondContact O-N 3.16Å; D405-V407 PolarHBondContact O-N 2.9Å; V407-R409 VanDerWaalsContact C-N 3.31Å; V407-R409 PolarHBondContact O-N 2.89Å; V407-K410 WeakPolarHBondContact O-CB 3.46Å; V407-K410 PolarHBondContact O-N 2.92Å; V407-L411 HydrophobicContact CG1-CD1 3.69Å; V407-L411 HydrophobicContact CG1-CG 4.14Å; V407-L411 WeakPolarHBondContact O-CG 3.33Å; V407-L411 PolarHBondContact O-N 2.76Å; V407-F488 HydrophobicContact CG1-CD2 3.92Å; V407-F488 HydrophobicContact CG1-CE2 4.5Å; V407-F488 HydrophobicContact CG1-CG 4.48Å
408M97.9Very high96.6Very high0 Ų067.5 Ų67.50%033%0.328CS..Hα-helixtrans-63.2-36.2-178.9-64.8-56.7124.300112.4T395 Y396 L404 D405 K410 L411 I412 M485 F488T395-M408 HydrophobicContact CG2-CE 4.1Å; T395-M408 HydrophobicContact CG2-CG 3.96Å; T395-M408 HydrophobicContact CG2-SD 3.91Å; Y396-M408 HydrophobicContact CD2-CB 4.18Å; L404-M408 HydrophobicContact CB-CE 4.45Å; L404-M408 WeakPolarHBondContact O-CG 3.29Å; L404-M408 PolarHBondContact O-N 3.09Å; D405-M408 PolarHBondContact O-N 2.98Å; D405-M408 VanDerWaalsContact O-N 3.15Å; M408-K410 PolarHBondContact O-N 3.26Å; M408-K410 VanDerWaalsContact O-N 3.13Å; M408-L411 HydrophobicContact CE-CD1 4.14Å; M408-L411 PolarHBondContact O-N 3.01Å; M408-L411 VanDerWaalsContact O-N 3.14Å; M408-I412 HydrophobicContact CB-CD1 4.03Å; M408-I412 WeakPolarHBondContact O-CD1 3.25Å; M408-I412 VanDerWaalsContact O-CG1 3.27Å; M408-I412 WeakPolarHBondContact O-CG1 3.24Å; M408-I412 PolarHBondContact O-N 3.33Å; M408-M485 HydrophobicContact CE-SD 4.46Å; M408-M485 HydrophobicContact SD-SD 3.87Å; M408-F488 HydrophobicContact CE-CB 3.87Å
409R96.9Very high96.8Very high81 Ų8165.4 Ų65.431%0.30632%0.321SS..Hα-helixtrans-57.9-25.9173.3-70.5-172.9-171.4-143.55.3113.7Q308 F310 Y396 D405 V407 P413Q308-R409 PolarHBondContact O-NH1 3.12Å; F310-R409 HydrophobicContact CB-CG 4.01Å; F310-R409 HydrophobicContact CD1-CG 4.07Å; F310-R409 HydrophobicContact CD2-CB 3.86Å; F310-R409 HydrophobicContact CD2-CG 3.65Å; F310-R409 HydrophobicContact CE1-CG 4.38Å; F310-R409 HydrophobicContact CE2-CB 3.92Å; F310-R409 HydrophobicContact CE2-CG 4.04Å; F310-R409 WeakPolarHBondContact CE2-O 3Å; F310-R409 HydrophobicContact CG-CB 4.37Å; F310-R409 HydrophobicContact CG-CG 3.65Å; F310-R409 HydrophobicContact CZ-CB 4.44Å; F310-R409 HydrophobicContact CZ-CG 4.36Å; Y396-R409 HydrophobicContact CD2-CG 4.46Å; Y396-R409 HydrophobicContact CE2-CG 3.93Å; D405-R409 WeakPolarHBondContact O-CG 3.37Å; D405-R409 PolarHBondContact O-N 2.84Å; D405-R409 IonicContact OD2-CZ 2.75Å; D405-R409 VanDerWaalsContact OD2-CZ 3.31Å; D405-R409 IonicContact OD2-NE 3.97Å; D405-R409 PolarHBondContact OD2-NE 3.5Å; D405-R409 IonicContact OD2-NH2 3.92Å; D405-R409 PolarHBondContact OD2-NH2 3.05Å; D405-R409 VanDerWaalsContact OD2-NH2 3.08Å; V407-R409 VanDerWaalsContact C-N 3.31Å; V407-R409 PolarHBondContact O-N 2.89Å; R409-P413 VanDerWaalsContact O-CD 3.26Å; R409-P413 WeakPolarHBondContact O-CD 3.47Å; R409-P413 VanDerWaalsContact O-CG 3.29Å; R409-P413 WeakPolarHBondContact O-CG 3.44Å
410K96.8Very high96.7Very high164 Ų16458.2 Ų58.271%0.71330%0.299SS*.Hα-helixtrans-90.5-35.4176.3-63.3174.4-175.2178.90112.3G406 V407 M408 P414G406-K410 WeakPolarHBondContact O-CG 3.39Å; V407-K410 WeakPolarHBondContact O-CB 3.46Å; V407-K410 PolarHBondContact O-N 2.92Å; M408-K410 PolarHBondContact O-N 3.26Å; M408-K410 VanDerWaalsContact O-N 3.13Å; K410-P414 WeakPolarHBondContact O-CD 3.25Å
411L98Very high96.7Very high18 Ų1854.5 Ų54.59%0.09428%0.282CS..Hα-helixtrans-84.1-32.4-172.8-63.9-177.3000113.8V407 M408 F415 P481 Q484 M485V407-L411 HydrophobicContact CG1-CD1 3.69Å; V407-L411 HydrophobicContact CG1-CG 4.14Å; V407-L411 WeakPolarHBondContact O-CG 3.33Å; V407-L411 PolarHBondContact O-N 2.76Å; M408-L411 HydrophobicContact CE-CD1 4.14Å; M408-L411 PolarHBondContact O-N 3.01Å; M408-L411 VanDerWaalsContact O-N 3.14Å; L411-F415 WeakPolarHBondContact O-CD2 3.46Å; L411-P481 HydrophobicContact CD2-CB 3.82Å; L411-Q484 HydrophobicContact CD1-CB 3.72Å; L411-Q484 HydrophobicContact CD2-CB 3.77Å; L411-Q484 HydrophobicContact CD2-CG 4.4Å; L411-Q484 HydrophobicContact CG-CB 4.42Å; L411-M485 HydrophobicContact CB-CE 3.54Å; L411-M485 HydrophobicContact CB-SD 4.32Å; L411-M485 HydrophobicContact CD1-SD 4.34Å
412I98.3Very high96.7Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-69.9-46.9-177.9-58.4159.6000112.9F310 I312 A389 Q393 Y396 M408 F415 H416 M485F310-I412 HydrophobicContact CE1-CD1 4.08Å; F310-I412 HydrophobicContact CZ-CB 4.25Å; F310-I412 HydrophobicContact CZ-CD1 4.02Å; I312-I412 HydrophobicContact CD1-CB 4.14Å; I312-I412 HydrophobicContact CD1-CG2 3.4Å; A389-I412 HydrophobicContact CB-CG2 4.34Å; Q393-I412 HydrophobicContact CG-CD1 4.3Å; Q393-I412 HydrophobicContact CG-CG2 4.16Å; Y396-I412 HydrophobicContact CG-CD1 4.24Å; M408-I412 HydrophobicContact CB-CD1 4.03Å; M408-I412 WeakPolarHBondContact O-CD1 3.25Å; M408-I412 VanDerWaalsContact O-CG1 3.27Å; M408-I412 WeakPolarHBondContact O-CG1 3.24Å; M408-I412 PolarHBondContact O-N 3.33Å; I412-F415 PolarHBondContact O-N 3.47Å; I412-F415 VanDerWaalsContact O-N 3.11Å; I412-H416 PolarHBondContact O-N 3.5Å; I412-H416 VanDerWaalsContact O-N 3.15Å; I412-M485 HydrophobicContact CG1-CE 4.48Å
413P97.3Very high96.7Very high47 Ų4749 Ų4931%0.30526%0.259SS..Hα-helixtrans-57.1-42.4-170.8-25.634.8000115.5F310 R409 F415 H416 Q417F310-P413 HydrophobicContact CE2-CG 3.87Å; F310-P413 HydrophobicContact CZ-CG 4.36Å; R409-P413 VanDerWaalsContact O-CD 3.26Å; R409-P413 WeakPolarHBondContact O-CD 3.47Å; R409-P413 VanDerWaalsContact O-CG 3.29Å; R409-P413 WeakPolarHBondContact O-CG 3.44Å; P413-F415 VanDerWaalsContact C-N 3.26Å; P413-F415 PolarHBondContact O-N 2.97Å; P413-H416 PolarHBondContact O-N 3.08Å; P413-Q417 WeakPolarHBondContact O-CB 3.49Å; P413-Q417 PolarHBondContact O-N 3.4Å
414P97.9Very high96.5Very high46 Ų4644.8 Ų44.830%0.29925%0.246SC..Hα-helixtrans-56.2-38.8177-2735.4000113.5K410 A418 L478K410-P414 WeakPolarHBondContact O-CD 3.25Å; P414-A418 VanDerWaalsContact O-CB 3.24Å; P414-A418 WeakPolarHBondContact O-CB 3.17Å; P414-A418 PolarHBondContact O-N 3Å; P414-L478 HydrophobicContact CB-CD2 4.15Å
415F98.5Very high96.4Very high0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-72-44177.9-72.7-70.4000112.8A385 A389 L411 I412 P413 Q417 A418 M419 L478 P481 L482 M485A385-F415 WeakPolarHBondContact O-CB 3.28Å; A389-F415 HydrophobicContact CB-CB 3.75Å; L411-F415 WeakPolarHBondContact O-CD2 3.46Å; I412-F415 PolarHBondContact O-N 3.47Å; I412-F415 VanDerWaalsContact O-N 3.11Å; P413-F415 VanDerWaalsContact C-N 3.26Å; P413-F415 PolarHBondContact O-N 2.97Å; F415-Q417 VanDerWaalsContact C-N 3.35Å; F415-A418 PolarHBondContact O-N 3.35Å; F415-M419 VanDerWaalsContact O-CB 3.3Å; F415-M419 WeakPolarHBondContact O-CB 3.44Å; F415-M419 PolarHBondContact O-N 3.42Å; F415-L478 HydrophobicContact CD1-CB 4.44Å; F415-L478 HydrophobicContact CD1-CD1 4.11Å; F415-L478 HydrophobicContact CD1-CD2 4.08Å; F415-L478 HydrophobicContact CD1-CG 4.45Å; F415-L478 HydrophobicContact CE1-CB 3.84Å; F415-L478 HydrophobicContact CE1-CD1 4.24Å; F415-L478 HydrophobicContact CE1-CD2 4.22Å; F415-L478 HydrophobicContact CE1-CG 4.33Å; F415-L478 HydrophobicContact CZ-CB 4.41Å; F415-P481 HydrophobicContact CE2-CB 3.9Å; F415-P481 HydrophobicContact CE2-CG 4.21Å; F415-P481 HydrophobicContact CZ-CB 4.27Å; F415-P481 HydrophobicContact CZ-CG 4.19Å; F415-L482 HydrophobicContact CE1-CB 4.19Å; F415-L482 HydrophobicContact CE1-CD1 4.25Å; F415-L482 HydrophobicContact CZ-CB 3.66Å; F415-L482 HydrophobicContact CZ-CD1 4.01Å; F415-L482 HydrophobicContact CZ-CG 4.39Å; F415-M485 HydrophobicContact CD2-CE 4.02Å; F415-M485 HydrophobicContact CE2-CE 3.99Å
416H97.6Very high96.3Very high21 Ų2143.2 Ų43.210%0.09724%0.238CC..Hα-helixtrans-64.4-41.7178.6-177.9-86.3000111.4I312 E313 A389 I412 P413 M419 N420I312-H416 HydrophobicContact CG2-CB 3.82Å; I312-H416 VanDerWaalsContact CG2-CD2 3.44Å; I312-H416 WeakPolarHBondContact CG2-CD2 3.47Å; I312-H416 WeakPolarHBondContact CG2-ND1 3.48Å; E313-H416 IonicContact OE1-CD2 2.75Å; E313-H416 IonicContact OE1-NE2 3.34Å; E313-H416 PolarHBondContact OE1-NE2 2.94Å; E313-H416 VanDerWaalsContact OE1-NE2 3.07Å; E313-H416 IonicContact OE2-CE1 3.39Å; E313-H416 IonicContact OE2-NE2 3Å; E313-H416 PolarHBondContact OE2-NE2 3.1Å; A389-H416 HydrophobicContact CB-CB 4.43Å; I412-H416 PolarHBondContact O-N 3.5Å; I412-H416 VanDerWaalsContact O-N 3.15Å; P413-H416 PolarHBondContact O-N 3.08Å; H416-M419 WeakPolarHBondContact O-CB 3.28Å; H416-M419 PolarHBondContact O-N 2.85Å; H416-N420 PolarHBondContact CE1-ND2 3.05Å; H416-N420 VanDerWaalsContact CE1-ND2 3.28Å; H416-N420 PolarHBondContact ND1-ND2 2.88Å; H416-N420 PolarHBondContact O-N 3.3Å; H416-N420 PolarHBondContact O-ND2 3.48Å; H416-N420 VanDerWaalsContact O-ND2 3.15Å
417Q96.1Very high96.1Very high109 Ų10943.5 Ų43.551%0.50923%0.229SC..Hα-helixtrans-61.6-51.5173.9-179.2178.1-4.800111.3P413 F415 M419 N420 E421P413-Q417 WeakPolarHBondContact O-CB 3.49Å; P413-Q417 PolarHBondContact O-N 3.4Å; F415-Q417 VanDerWaalsContact C-N 3.35Å; Q417-M419 VanDerWaalsContact C-N 3.29Å; Q417-M419 PolarHBondContact O-N 3.06Å; Q417-N420 PolarHBondContact O-N 3.14Å; Q417-E421 HydrophobicContact CG-CG 4.33Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.2Å; Q417-E421 PolarHBondContact NE2-OE1 2.84Å; Q417-E421 WeakPolarHBondContact O-CG 3.34Å; Q417-E421 PolarHBondContact O-N 2.94Å
418A97.5Very high95.7Very high4 Ų442.8 Ų42.83%0.03323%0.228CC..Hα-helixtrans-62.2-36.7-179.800000112.3A385 P414 F415 N420 E421 L422 L478A385-A418 HydrophobicContact CB-CB 4.25Å; P414-A418 VanDerWaalsContact O-CB 3.24Å; P414-A418 WeakPolarHBondContact O-CB 3.17Å; P414-A418 PolarHBondContact O-N 3Å; F415-A418 PolarHBondContact O-N 3.35Å; A418-N420 VanDerWaalsContact C-N 3.34Å; A418-N420 PolarHBondContact O-N 3.35Å; A418-E421 PolarHBondContact O-N 3.15Å; A418-L422 HydrophobicContact CB-CD1 4.47Å; A418-L422 WeakPolarHBondContact O-CB 3.5Å; A418-L422 WeakPolarHBondContact O-CD1 3.49Å; A418-L422 WeakPolarHBondContact O-CG 3.44Å; A418-L422 PolarHBondContact O-N 2.82Å; A418-L478 HydrophobicContact CB-CD1 3.73Å; A418-L478 HydrophobicContact CB-CD2 3.89Å; A418-L478 HydrophobicContact CB-CG 4.24Å
419M96.9Very high95.4Very high39 Ų3943.8 Ų43.819%0.19223%0.233CC..Hα-helixtrans-54.7-49.9173.9174.2-170.873.300111.3A385 A386 F415 H416 Q417 L423A385-M419 HydrophobicContact CB-CB 4Å; A386-M419 HydrophobicContact CB-CG 3.95Å; A386-M419 HydrophobicContact CB-SD 3.48Å; A386-M419 WeakPolarHBondContact CB-SD 3.47Å; F415-M419 VanDerWaalsContact O-CB 3.3Å; F415-M419 WeakPolarHBondContact O-CB 3.44Å; F415-M419 PolarHBondContact O-N 3.42Å; H416-M419 WeakPolarHBondContact O-CB 3.28Å; H416-M419 PolarHBondContact O-N 2.85Å; Q417-M419 VanDerWaalsContact C-N 3.29Å; Q417-M419 PolarHBondContact O-N 3.06Å; M419-L423 WeakPolarHBondContact O-CG 3.27Å; M419-L423 PolarHBondContact O-N 2.7Å; M419-L423 VanDerWaalsContact O-N 3.09Å
420N93.6Very high95Very high80 Ų8040.9 Ų40.943%0.42823%0.225SC..Hα-helixtrans-69.5-40.6-179.4-67.4-41.3000112.5H416 Q417 A418 L423 G424H416-N420 PolarHBondContact CE1-ND2 3.05Å; H416-N420 VanDerWaalsContact CE1-ND2 3.28Å; H416-N420 PolarHBondContact ND1-ND2 2.88Å; H416-N420 PolarHBondContact O-N 3.3Å; H416-N420 PolarHBondContact O-ND2 3.48Å; H416-N420 VanDerWaalsContact O-ND2 3.15Å; Q417-N420 PolarHBondContact O-N 3.14Å; A418-N420 VanDerWaalsContact C-N 3.34Å; A418-N420 PolarHBondContact O-N 3.35Å; N420-L423 PolarHBondContact O-N 2.82Å; N420-G424 PolarHBondContact O-N 2.96Å
421E94.6Very high94.5Very high64 Ų6436 Ų3630%0.29922%0.215SC..Hα-helixtrans-64.3-42.5176.9-69.8179.217800111.8Q417 A418 G424 L425 K474Q417-E421 HydrophobicContact CG-CG 4.33Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.2Å; Q417-E421 PolarHBondContact NE2-OE1 2.84Å; Q417-E421 WeakPolarHBondContact O-CG 3.34Å; Q417-E421 PolarHBondContact O-N 2.94Å; A418-E421 PolarHBondContact O-N 3.15Å; E421-G424 PolarHBondContact O-N 3.3Å; E421-L425 PolarHBondContact O-N 3.33Å; E421-K474 IonicContact OE1-NZ 3.68Å; E421-K474 WeakPolarHBondContact OE2-CD 3.49Å; E421-K474 WeakPolarHBondContact OE2-CE 3.39Å; E421-K474 IonicContact OE2-NZ 3.49Å; E421-K474 PolarHBondContact OE2-NZ 2.74Å
422L96.9Very high94.1Very high0 Ų035.6 Ų35.60%022%0.215CC..Hα-helixtrans-68.2-32.9178.7-69.3170.7000112.3G381 A382 A385 A418 G424 L425 L471 K474 V475G381-L422 VanDerWaalsContact C-CD1 3.49Å; A382-L422 HydrophobicContact CB-CB 3.86Å; A385-L422 HydrophobicContact CB-CD1 4.27Å; A418-L422 HydrophobicContact CB-CD1 4.47Å; A418-L422 WeakPolarHBondContact O-CB 3.5Å; A418-L422 WeakPolarHBondContact O-CD1 3.49Å; A418-L422 WeakPolarHBondContact O-CG 3.44Å; A418-L422 PolarHBondContact O-N 2.82Å; L422-G424 VanDerWaalsContact C-N 3.32Å; L422-L425 HydrophobicContact CD2-CD1 4Å; L422-L425 PolarHBondContact O-N 3.46Å; L422-L425 VanDerWaalsContact O-N 3.17Å; L422-L471 HydrophobicContact CD2-CB 4.43Å; L422-L471 HydrophobicContact CD2-CG 3.84Å; L422-K474 HydrophobicContact CD2-CB 4.32Å; L422-V475 HydrophobicContact CD1-CG2 4.2Å; L422-V475 HydrophobicContact CD2-CG2 4.45Å
423L94.1Very high93.6Very high64 Ų6438.8 Ų38.834%0.33523%0.229SC..Hα-helixtrans-59-44.7170-76.5171.5000111V353 A382 M419 N420 L425 V426V353-L423 HydrophobicContact CG1-CD2 4.33Å; V353-L423 VanDerWaalsContact CG2-O 3.29Å; V353-L423 WeakPolarHBondContact CG2-O 3.32Å; A382-L423 HydrophobicContact CB-CD2 4Å; A382-L423 HydrophobicContact CB-CG 3.97Å; M419-L423 WeakPolarHBondContact O-CG 3.27Å; M419-L423 PolarHBondContact O-N 2.7Å; M419-L423 VanDerWaalsContact O-N 3.09Å; N420-L423 PolarHBondContact O-N 2.82Å; L423-L425 PolarHBondContact O-N 3.32Å; L423-V426 VanDerWaalsContact O-CB 3.31Å; L423-V426 WeakPolarHBondContact O-CB 3.36Å; L423-V426 WeakPolarHBondContact O-CG2 3.45Å; L423-V426 PolarHBondContact O-N 3.15Å
424G91.8Very high93.1Very high44 Ų4440.8 Ų40.845%0.45424%0.237SC..Hα-helixtrans-60.2-28.9175.800000113.7N420 E421 L422 V426 A428N420-G424 PolarHBondContact O-N 2.96Å; E421-G424 PolarHBondContact O-N 3.3Å; L422-G424 VanDerWaalsContact C-N 3.32Å; G424-V426 VanDerWaalsContact C-N 3.28Å; G424-V426 PolarHBondContact O-N 3.23Å; G424-A428 PolarHBondContact O-N 3.11Å
425L95.1Very high92.5Very high30 Ų3040.5 Ų40.516%0.15724%0.242CC..Hα-helixtrans-71.9-18.6177.1-60.3-173000113.7A378 E421 L422 L423 A428 D429 V467 L471A378-L425 HydrophobicContact CB-CB 3.95Å; E421-L425 PolarHBondContact O-N 3.33Å; L422-L425 HydrophobicContact CD2-CD1 4Å; L422-L425 PolarHBondContact O-N 3.46Å; L422-L425 VanDerWaalsContact O-N 3.17Å; L423-L425 PolarHBondContact O-N 3.32Å; L425-A428 HydrophobicContact CD2-CB 4.44Å; L425-D429 WeakPolarHBondContact O-CB 3.4Å; L425-D429 PolarHBondContact O-N 2.97Å; L425-V467 HydrophobicContact CB-CG1 4.42Å; L425-V467 HydrophobicContact CD2-CG1 4.4Å; L425-L471 HydrophobicContact CD1-CB 3.75Å; L425-L471 HydrophobicContact CD1-CG 4.41Å
426V94.4Very high92.1Very high4 Ų442.3 Ų42.32%0.02425%0.249CC..Hα-helixtrans-61.8-49.4175.8179.20000110.1L352 V353 F360 A378 A379 L423 G424L352-V426 HydrophobicContact CB-CG1 3.93Å; L352-V426 HydrophobicContact CD1-CG1 4.11Å; V353-V426 HydrophobicContact CG2-CB 3.81Å; V353-V426 HydrophobicContact CG2-CG1 4.18Å; V353-V426 HydrophobicContact CG2-CG2 4.33Å; F360-V426 HydrophobicContact CE2-CG1 3.89Å; F360-V426 HydrophobicContact CZ-CG1 4.33Å; A378-V426 HydrophobicContact CB-CB 4.49Å; A378-V426 HydrophobicContact CB-CG2 3.75Å; A379-V426 HydrophobicContact CB-CG2 4.17Å; L423-V426 VanDerWaalsContact O-CB 3.31Å; L423-V426 WeakPolarHBondContact O-CB 3.36Å; L423-V426 WeakPolarHBondContact O-CG2 3.45Å; L423-V426 PolarHBondContact O-N 3.15Å; G424-V426 VanDerWaalsContact C-N 3.28Å; G424-V426 PolarHBondContact O-N 3.23Å
427D90.4Very high91.6Very high51 Ų5144.5 Ų44.527%0.27326%0.26SS..Hα-helixtrans-74.5-37.1178.3-70.7-41.1000111.6G351 L352 V353 D429 S430 A431G351-D427 WeakPolarHBondContact CA-OD1 3.32Å; L352-D427 WeakPolarHBondContact CA-OD1 3.35Å; L352-D427 VanDerWaalsContact CB-OD1 3.28Å; L352-D427 WeakPolarHBondContact CB-OD1 3.31Å; L352-D427 PolarHBondContact N-OD1 3.5Å; V353-D427 VanDerWaalsContact CG2-OD2 3.27Å; V353-D427 WeakPolarHBondContact CG2-OD2 3.03Å; D427-D429 VanDerWaalsContact C-N 3.29Å; D427-D429 PolarHBondContact O-N 3Å; D427-S430 PolarHBondContact O-N 3.34Å; D427-A431 WeakPolarHBondContact O-CB 3.21Å; D427-A431 PolarHBondContact O-N 2.9Å
428A89.4Confident91.3Very high33 Ų3341 Ų4127%0.27325%0.251SS..Hα-helixtrans-59.9-37.4177.600000112.8G424 L425 A431 A432 V467G424-A428 PolarHBondContact O-N 3.11Å; L425-A428 HydrophobicContact CD2-CB 4.44Å; A428-A431 PolarHBondContact O-N 3.14Å; A428-A432 VanDerWaalsContact O-CB 3.3Å; A428-A432 WeakPolarHBondContact O-CB 3.32Å; A428-A432 PolarHBondContact O-N 3.24Å; A428-V467 HydrophobicContact CB-CG1 4.21Å; A428-V467 HydrophobicContact CB-CG2 4.17Å
429D91.4Very high90.9Very high21 Ų2141.2 Ų41.211%0.11225%0.252CS..Hα-helixtrans-63.8-48.1176.1177.874.3000111.4G374 S375 L425 D427 A431 A432 F433 V467G374-D429 WeakPolarHBondContact CA-OD1 3.23Å; S375-D429 PolarHBondContact N-OD2 3.44Å; S375-D429 PolarHBondContact OG-OD2 3.27Å; L425-D429 WeakPolarHBondContact O-CB 3.4Å; L425-D429 PolarHBondContact O-N 2.97Å; D427-D429 VanDerWaalsContact C-N 3.29Å; D427-D429 PolarHBondContact O-N 3Å; D429-A431 VanDerWaalsContact C-N 3.32Å; D429-A431 PolarHBondContact O-N 3.05Å; D429-A432 PolarHBondContact O-N 3.29Å; D429-F433 PolarHBondContact O-N 3.29Å; D429-V467 HydrophobicContact CB-CG1 4.08Å
430S88.1Confident90.5Very high19 Ų1941.8 Ų41.813%0.13326%0.255CS..Hα-helixtrans-63.5-39.6177.2-169.60000111.8D427 N434D427-S430 PolarHBondContact O-N 3.34Å; S430-N434 WeakPolarHBondContact O-CB 3.41Å; S430-N434 VanDerWaalsContact O-CG 3.23Å; S430-N434 PolarHBondContact O-N 3.45Å; S430-N434 PolarHBondContact O-ND2 3.48Å
431A87.5Confident90.4Very high61 Ų6146.2 Ų46.250%0.50427%0.271SS..Hα-helixtrans-65.5-43.3176.300000112D427 A428 D429 F433 N434 G435D427-A431 WeakPolarHBondContact O-CB 3.21Å; D427-A431 PolarHBondContact O-N 2.9Å; A428-A431 PolarHBondContact O-N 3.14Å; D429-A431 VanDerWaalsContact C-N 3.32Å; D429-A431 PolarHBondContact O-N 3.05Å; A431-F433 PolarHBondContact O-N 2.77Å; A431-N434 PolarHBondContact O-N 3.01Å; A431-G435 PolarHBondContact O-N 2.99Å
432A88.6Confident90.2Very high11 Ų1146.3 Ų46.39%0.09127%0.272CS..Hα-helixtrans-62.1-43.5176.900000111.8A428 D429 G435 Y436 A464 V467A428-A432 VanDerWaalsContact O-CB 3.3Å; A428-A432 WeakPolarHBondContact O-CB 3.32Å; A428-A432 PolarHBondContact O-N 3.24Å; D429-A432 PolarHBondContact O-N 3.29Å; A432-G435 PolarHBondContact O-N 3.17Å; A432-Y436 PolarHBondContact O-N 3.02Å; A432-A464 HydrophobicContact CB-CB 4.42Å; A432-V467 HydrophobicContact CB-CG2 4.25Å
433F87.4Confident89.9Confident67 Ų6750 Ų5029%0.29430%0.296SS..Hα-helixtrans-61.8-47.6175.6-178.2-94.2000112A369 A370 D429 A431 G435 Y436 M437A369-F433 HydrophobicContact CB-CE1 3.62Å; A369-F433 HydrophobicContact CB-CZ 3.66Å; A370-F433 HydrophobicContact CB-CD1 3.97Å; A370-F433 HydrophobicContact CB-CE1 4.45Å; D429-F433 PolarHBondContact O-N 3.29Å; A431-F433 PolarHBondContact O-N 2.77Å; F433-G435 VanDerWaalsContact C-N 3.31Å; F433-G435 PolarHBondContact O-N 3.5Å; F433-Y436 PolarHBondContact O-N 3.38Å; F433-M437 HydrophobicContact CD1-CG 4.05Å; F433-M437 HydrophobicContact CE1-CG 3.55Å; F433-M437 HydrophobicContact CE1-SD 4.36Å; F433-M437 HydrophobicContact CE2-CG 4.47Å; F433-M437 HydrophobicContact CZ-CG 3.79Å; F433-M437 HydrophobicContact CZ-SD 4.03Å; F433-M437 WeakPolarHBondContact O-CG 3.47Å; F433-M437 PolarHBondContact O-N 3.23Å
434N87.4Confident89.8Confident89 Ų8953 Ų5348%0.47631%0.307SS..Hα-helixtrans-62.1-39.5178.3-73.6-21.7000112S430 A431 M437 A438S430-N434 WeakPolarHBondContact O-CB 3.41Å; S430-N434 VanDerWaalsContact O-CG 3.23Å; S430-N434 PolarHBondContact O-N 3.45Å; S430-N434 PolarHBondContact O-ND2 3.48Å; A431-N434 PolarHBondContact O-N 3.01Å; N434-M437 PolarHBondContact O-N 3.41Å; N434-A438 WeakPolarHBondContact O-CB 3.38Å; N434-A438 PolarHBondContact O-N 2.81Å
435G85.8Confident89.9Confident39 Ų3956 Ų5640%0.40232%0.32SS..Hα-helixtrans-60.2-44.9174.700000112.6A431 A432 F433 A438 A439A431-G435 PolarHBondContact O-N 2.99Å; A432-G435 PolarHBondContact O-N 3.17Å; F433-G435 VanDerWaalsContact C-N 3.31Å; F433-G435 PolarHBondContact O-N 3.5Å; G435-A438 PolarHBondContact O-N 2.87Å; G435-A439 PolarHBondContact O-N 3.45Å
436Y89.1Confident89.8Confident38 Ų3857.7 Ų57.715%0.14933%0.332CS..Hα-helixtrans-62.5-42.6174174.2-107.2000112.3A432 F433 A438 A439 L440 M457 L461A432-Y436 PolarHBondContact O-N 3.02Å; F433-Y436 PolarHBondContact O-N 3.38Å; Y436-A438 VanDerWaalsContact C-N 3.32Å; Y436-A438 PolarHBondContact O-N 3.46Å; Y436-A439 WeakPolarHBondContact O-CB 3.46Å; Y436-A439 PolarHBondContact O-N 3.42Å; Y436-L440 HydrophobicContact CD1-CD1 4.01Å; Y436-L440 HydrophobicContact CE1-CD1 3.44Å; Y436-L440 VanDerWaalsContact CE1-CD1 3.44Å; Y436-L440 HydrophobicContact CE1-CG 4.12Å; Y436-L440 HydrophobicContact CE2-CG 4.42Å; Y436-L440 PolarHBondContact O-N 2.95Å; Y436-M457 HydrophobicContact CE2-CB 4.42Å; Y436-M457 HydrophobicContact CE2-CE 4.31Å; Y436-L461 HydrophobicContact CD2-CD2 3.9Å; Y436-L461 HydrophobicContact CD2-CG 3.71Å; Y436-L461 HydrophobicContact CE2-CD1 3.92Å; Y436-L461 HydrophobicContact CE2-CD2 3.57Å; Y436-L461 HydrophobicContact CE2-CG 3.44Å; Y436-L461 VanDerWaalsContact CE2-CG 3.44Å; Y436-L461 HydrophobicContact CG-CD2 4.48Å
437M88.3Confident89.7Confident67 Ų6761.5 Ų61.533%0.3336%0.364SS..Hα-helixtrans-64.6-34.3176.4-71.2-59.7-61.900113F433 N434 L440 K441F433-M437 HydrophobicContact CD1-CG 4.05Å; F433-M437 HydrophobicContact CE1-CG 3.55Å; F433-M437 HydrophobicContact CE1-SD 4.36Å; F433-M437 HydrophobicContact CE2-CG 4.47Å; F433-M437 HydrophobicContact CZ-CG 3.79Å; F433-M437 HydrophobicContact CZ-SD 4.03Å; F433-M437 WeakPolarHBondContact O-CG 3.47Å; F433-M437 PolarHBondContact O-N 3.23Å; N434-M437 PolarHBondContact O-N 3.41Å; M437-L440 PolarHBondContact O-N 3.42Å; M437-L440 HydrophobicContact SD-CD1 3.83Å; M437-K441 WeakPolarHBondContact O-CG 3.19Å; M437-K441 PolarHBondContact O-N 3.48Å
438A88.6Confident89.7Confident37 Ų3764.8 Ų64.831%0.30638%0.378SS..Hα-helixtrans-66.7-44.5173.200000111.1A16 N434 G435 Y436 L440 K441 M442A16-A438 HydrophobicContact CB-CB 4.3Å; N434-A438 WeakPolarHBondContact O-CB 3.38Å; N434-A438 PolarHBondContact O-N 2.81Å; G435-A438 PolarHBondContact O-N 2.87Å; Y436-A438 VanDerWaalsContact C-N 3.32Å; Y436-A438 PolarHBondContact O-N 3.46Å; A438-L440 VanDerWaalsContact C-N 3.28Å; A438-L440 PolarHBondContact O-N 3.47Å; A438-K441 WeakPolarHBondContact O-CB 3.42Å; A438-K441 PolarHBondContact O-N 3.47Å; A438-M442 PolarHBondContact O-N 2.93Å
439A90.2Very high89.8Confident7 Ų766.2 Ų66.26%0.05838%0.379CS..Hα-helixtrans-58.6-40.1174.900000112G435 Y436 K441 M442 A456 M457G435-A439 PolarHBondContact O-N 3.45Å; Y436-A439 WeakPolarHBondContact O-CB 3.46Å; Y436-A439 PolarHBondContact O-N 3.42Å; A439-K441 PolarHBondContact O-N 3.03Å; A439-M442 HydrophobicContact CB-SD 4.36Å; A439-M442 WeakPolarHBondContact O-CB 3.33Å; A439-M442 WeakPolarHBondContact O-CG 3.47Å; A439-M442 PolarHBondContact O-N 3.43Å; A439-M442 VanDerWaalsContact O-N 3.15Å; A439-A456 HydrophobicContact CB-CB 3.97Å; A439-M457 HydrophobicContact CB-CG 3.88Å
440L88.6Confident89.8Confident51 Ų5171 Ų7127%0.26740%0.398SS..Hα-helixtrans-58.9-32175.3-83.5172.3000113.5Y436 M437 A438 R453 M457Y436-L440 HydrophobicContact CD1-CD1 4.01Å; Y436-L440 HydrophobicContact CE1-CD1 3.44Å; Y436-L440 VanDerWaalsContact CE1-CD1 3.44Å; Y436-L440 HydrophobicContact CE1-CG 4.12Å; Y436-L440 HydrophobicContact CE2-CG 4.42Å; Y436-L440 PolarHBondContact O-N 2.95Å; M437-L440 PolarHBondContact O-N 3.42Å; M437-L440 HydrophobicContact SD-CD1 3.83Å; A438-L440 VanDerWaalsContact C-N 3.28Å; A438-L440 PolarHBondContact O-N 3.47Å; L440-R453 PolarHBondContact O-NE 3.3Å; L440-R453 PolarHBondContact O-NH2 3.23Å; L440-M457 HydrophobicContact CD2-CE 3.4Å; L440-M457 HydrophobicContact CD2-SD 3.83Å; L440-M457 HydrophobicContact CG-CE 4.29Å
441K91.4Very high90Very high173 Ų17373.7 Ų73.775%0.75242%0.417SS*.THydrogen-bonded Turntrans-84.6-7.1-179.3-67.8174.4-175.7177.10113.9M437 A438 A439M437-K441 WeakPolarHBondContact O-CG 3.19Å; M437-K441 PolarHBondContact O-N 3.48Å; A438-K441 WeakPolarHBondContact O-CB 3.42Å; A438-K441 PolarHBondContact O-N 3.47Å; A439-K441 PolarHBondContact O-N 3.03Å
442M89.9Confident90.2Very high67 Ų6778 Ų7833%0.3342%0.421SS..SBendtrans-58.7152.4179.1-70.1173.275.400112.1A438 A439 R452 R453 A456A438-M442 PolarHBondContact O-N 2.93Å; A439-M442 HydrophobicContact CB-SD 4.36Å; A439-M442 WeakPolarHBondContact O-CB 3.33Å; A439-M442 WeakPolarHBondContact O-CG 3.47Å; A439-M442 PolarHBondContact O-N 3.43Å; A439-M442 VanDerWaalsContact O-N 3.15Å; M442-R452 HydrophobicContact CE-CB 4.44Å; M442-R453 HydrophobicContact CB-CB 4.09Å; M442-R453 HydrophobicContact CB-CG 4.01Å; M442-R453 WeakPolarHBondContact O-CD 3.49Å; M442-R453 PolarHBondContact O-NE 2.9Å; M442-A456 HydrophobicContact CE-CB 4.22Å; M442-A456 HydrophobicContact SD-CB 3.52Å; M442-A456 VanDerWaalsContact SD-CB 3.52Å
443P90.3Very high90.3Very high77 Ų7780.1 Ų80.150%0.543%0.426SS..  trans-53.7153.2175.1-26.635.6000113.2E449P443-E449 HydrophobicContact CB-CB 4.38Å; P443-E449 VanDerWaalsContact CB-CD 3.46Å; P443-E449 HydrophobicContact CB-CG 4.03Å
444K92.4Very high90.6Very high128 Ų12882.8 Ų82.856%0.55744%0.44SS*.  trans-145.823.3-175.164.2-176.5-178.4-175.40112.9K450K444-K450 HydrophobicContact CB-CG 4.27Å; K444-K450 WeakPolarHBondContact O-CE 3.18Å
445S92.8Very high90.8Very high106 Ų10681.5 Ų81.574%0.74144%0.441SS*.SBendtrans-84.7-38.6-172.8-55.70000111.1E449S445-E449 WeakPolarHBondContact CA-OE2 3.42Å; S445-E449 VanDerWaalsContact CB-OE2 3.27Å; S445-E449 WeakPolarHBondContact CB-OE2 3.48Å; S445-E449 PolarHBondContact N-OE2 2.97Å
446T94.1Very high91.1Very high65 Ų6580.9 Ų80.940%0.39943%0.433SS..SBendtrans-102.3162.5178.3760000112.4E448 E449 K450T446-E448 VanDerWaalsContact C-N 3.29Å; T446-E448 PolarHBondContact O-N 2.93Å; T446-E449 PolarHBondContact N-OE2 2.87Å; T446-E449 PolarHBondContact O-N 2.92Å; T446-E449 WeakPolarHBondContact OG1-CB 3.43Å; T446-E449 WeakPolarHBondContact OG1-CG 3.39Å; T446-E449 PolarHBondContact OG1-N 2.9Å; T446-K450 VanDerWaalsContact O-CG 3.31Å; T446-K450 WeakPolarHBondContact O-CG 3.09Å; T446-K450 PolarHBondContact O-N 3.41Å
447A92.2Very high91.3Very high85 Ų8580.8 Ų80.870%0.70243%0.434SS*.Hα-helixtrans-62.7-38.1174.700000111.9K450 S451A447-K450 PolarHBondContact O-N 3.19Å; A447-S451 PolarHBondContact O-N 3.41Å
448E91.3Very high91.6Very high120 Ų12079.3 Ų79.356%0.56143%0.426SS*.Hα-helixtrans-65.7-44.6176-173.8176.4-171.100111.7T446 K450 S451 R452T446-E448 VanDerWaalsContact C-N 3.29Å; T446-E448 PolarHBondContact O-N 2.93Å; E448-K450 PolarHBondContact O-N 2.94Å; E448-S451 PolarHBondContact O-N 3.31Å; E448-R452 WeakPolarHBondContact O-CG 3.34Å; E448-R452 PolarHBondContact O-N 3.47Å; E448-R452 IonicContact OE1-CZ 2.63Å; E448-R452 IonicContact OE1-NE 3.92Å; E448-R452 PolarHBondContact OE1-NE 3.4Å; E448-R452 IonicContact OE1-NH2 2.63Å; E448-R452 PolarHBondContact OE1-NH2 2.87Å
449E91.3Very high91.8Very high62 Ų6282.2 Ų82.229%0.2943%0.434SS..Hα-helixtrans-60.9-43.4174.9-76.7174.3173.200111.9P443 S445 T446 S451 R452 R453P443-E449 HydrophobicContact CB-CB 4.38Å; P443-E449 VanDerWaalsContact CB-CD 3.46Å; P443-E449 HydrophobicContact CB-CG 4.03Å; S445-E449 WeakPolarHBondContact CA-OE2 3.42Å; S445-E449 VanDerWaalsContact CB-OE2 3.27Å; S445-E449 WeakPolarHBondContact CB-OE2 3.48Å; S445-E449 PolarHBondContact N-OE2 2.97Å; T446-E449 PolarHBondContact N-OE2 2.87Å; T446-E449 PolarHBondContact O-N 2.92Å; T446-E449 WeakPolarHBondContact OG1-CB 3.43Å; T446-E449 WeakPolarHBondContact OG1-CG 3.39Å; T446-E449 PolarHBondContact OG1-N 2.9Å; E449-S451 VanDerWaalsContact C-N 3.35Å; E449-S451 PolarHBondContact O-N 3.31Å; E449-R452 PolarHBondContact O-N 2.99Å; E449-R453 WeakPolarHBondContact O-CB 3.42Å; E449-R453 PolarHBondContact O-N 3.2Å
450K91.2Very high91.9Very high121 Ų12182.2 Ų82.253%0.52643%0.434SS..Hα-helixtrans-60.1-44.6176.4-73.7174.6-174.5179.50111.7K444 T446 A447 E448 R453 E454K444-K450 HydrophobicContact CB-CG 4.27Å; K444-K450 WeakPolarHBondContact O-CE 3.18Å; T446-K450 VanDerWaalsContact O-CG 3.31Å; T446-K450 WeakPolarHBondContact O-CG 3.09Å; T446-K450 PolarHBondContact O-N 3.41Å; A447-K450 PolarHBondContact O-N 3.19Å; E448-K450 PolarHBondContact O-N 2.94Å; K450-R453 PolarHBondContact O-N 2.66Å; K450-E454 WeakPolarHBondContact O-CB 3.43Å; K450-E454 PolarHBondContact O-N 3.06Å
451S92.6Very high92.1Very high76 Ų7679.9 Ų79.953%0.53142%0.422SS..Hα-helixtrans-64.8-46.3178.4179.30000112A447 E448 E449 R453 E454 A455A447-S451 PolarHBondContact O-N 3.41Å; E448-S451 PolarHBondContact O-N 3.31Å; E449-S451 VanDerWaalsContact C-N 3.35Å; E449-S451 PolarHBondContact O-N 3.31Å; S451-R453 VanDerWaalsContact C-N 3.34Å; S451-R453 PolarHBondContact O-N 2.88Å; S451-E454 PolarHBondContact O-N 2.8Å; S451-A455 WeakPolarHBondContact O-CB 3.43Å; S451-A455 PolarHBondContact O-N 3.28Å
452R90.3Very high92.3Very high152 Ų15275 Ų7557%0.57440%0.4SS*.Hα-helixtrans-62-42176.2-70-178.7-170.8-165.73.1112M442 E448 E449 A455 A456M442-R452 HydrophobicContact CE-CB 4.44Å; E448-R452 WeakPolarHBondContact O-CG 3.34Å; E448-R452 PolarHBondContact O-N 3.47Å; E448-R452 IonicContact OE1-CZ 2.63Å; E448-R452 IonicContact OE1-NE 3.92Å; E448-R452 PolarHBondContact OE1-NE 3.4Å; E448-R452 IonicContact OE1-NH2 2.63Å; E448-R452 PolarHBondContact OE1-NH2 2.87Å; E449-R452 PolarHBondContact O-N 2.99Å; R452-A455 PolarHBondContact O-N 3.24Å; R452-A456 WeakPolarHBondContact O-CB 3.28Å; R452-A456 PolarHBondContact O-N 3.49Å
453R92.3Very high92.4Very high56 Ų5678.1 Ų78.121%0.21141%0.409CS..Hα-helixtrans-61.6-46.7176.1175.4173.1-176.7-98.8-4.1111.7L440 M442 E449 K450 S451 A456 M457L440-R453 PolarHBondContact O-NE 3.3Å; L440-R453 PolarHBondContact O-NH2 3.23Å; M442-R453 HydrophobicContact CB-CB 4.09Å; M442-R453 HydrophobicContact CB-CG 4.01Å; M442-R453 WeakPolarHBondContact O-CD 3.49Å; M442-R453 PolarHBondContact O-NE 2.9Å; E449-R453 WeakPolarHBondContact O-CB 3.42Å; E449-R453 PolarHBondContact O-N 3.2Å; K450-R453 PolarHBondContact O-N 2.66Å; S451-R453 VanDerWaalsContact C-N 3.34Å; S451-R453 PolarHBondContact O-N 2.88Å; R453-A456 PolarHBondContact O-N 3.43Å; R453-M457 HydrophobicContact CG-CG 4.48Å; R453-M457 HydrophobicContact CG-SD 4.06Å; R453-M457 WeakPolarHBondContact O-CB 3.26Å; R453-M457 VanDerWaalsContact O-CG 3.26Å; R453-M457 WeakPolarHBondContact O-CG 3.08Å; R453-M457 PolarHBondContact O-N 2.86Å
454E93Very high92.5Very high123 Ų12374.9 Ų74.958%0.57539%0.388SS*.Hα-helixtrans-62.7-44.3178.2-176.6172.1-170.800111.8K450 S451 A456 M457 Q458K450-E454 WeakPolarHBondContact O-CB 3.43Å; K450-E454 PolarHBondContact O-N 3.06Å; S451-E454 PolarHBondContact O-N 2.8Å; E454-A456 PolarHBondContact O-N 3.34Å; E454-M457 PolarHBondContact O-N 3.41Å; E454-Q458 WeakPolarHBondContact O-CG 3.29Å; E454-Q458 PolarHBondContact O-N 2.91Å
455A92.4Very high92.7Very high61 Ų6168.8 Ų68.850%0.50436%0.362SS..Hα-helixtrans-59-48.3175.300000111.8S451 R452 M457 Q458 E459S451-A455 WeakPolarHBondContact O-CB 3.43Å; S451-A455 PolarHBondContact O-N 3.28Å; R452-A455 PolarHBondContact O-N 3.24Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.95Å; A455-Q458 PolarHBondContact O-N 3.05Å; A455-E459 WeakPolarHBondContact O-CB 3.39Å; A455-E459 PolarHBondContact O-N 2.76Å
456A91.7Very high92.8Very high27 Ų2766.3 Ų66.322%0.22335%0.345CS..Hα-helixtrans-63.4-37.5177.600000112.6A439 M442 R452 R453 E454 G460A439-A456 HydrophobicContact CB-CB 3.97Å; M442-A456 HydrophobicContact CE-CB 4.22Å; M442-A456 HydrophobicContact SD-CB 3.52Å; M442-A456 VanDerWaalsContact SD-CB 3.52Å; R452-A456 WeakPolarHBondContact O-CB 3.28Å; R452-A456 PolarHBondContact O-N 3.49Å; R453-A456 PolarHBondContact O-N 3.43Å; E454-A456 PolarHBondContact O-N 3.34Å; A456-G460 PolarHBondContact O-N 2.96Å
457M93.4Very high92.9Very high35 Ų3564.3 Ų64.317%0.17233%0.332CS..Hα-helixtrans-65.4-44.8175.3-76.717858.200111.8Y436 A439 L440 R453 E454 A455 G460 L461Y436-M457 HydrophobicContact CE2-CB 4.42Å; Y436-M457 HydrophobicContact CE2-CE 4.31Å; A439-M457 HydrophobicContact CB-CG 3.88Å; L440-M457 HydrophobicContact CD2-CE 3.4Å; L440-M457 HydrophobicContact CD2-SD 3.83Å; L440-M457 HydrophobicContact CG-CE 4.29Å; R453-M457 HydrophobicContact CG-CG 4.48Å; R453-M457 HydrophobicContact CG-SD 4.06Å; R453-M457 WeakPolarHBondContact O-CB 3.26Å; R453-M457 VanDerWaalsContact O-CG 3.26Å; R453-M457 WeakPolarHBondContact O-CG 3.08Å; R453-M457 PolarHBondContact O-N 2.86Å; E454-M457 PolarHBondContact O-N 3.41Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.95Å; M457-G460 PolarHBondContact O-N 3.02Å; M457-L461 WeakPolarHBondContact O-CG 3.06Å; M457-L461 PolarHBondContact O-N 2.87Å
458Q94.7Very high93.2Very high36 Ų3660.4 Ų60.417%0.16830%0.3CS..Hα-helixtrans-66.1-38.4178.2-73.2-60.4-46.500111.9E454 A455 L461 K462 D521 S523E454-Q458 WeakPolarHBondContact O-CG 3.29Å; E454-Q458 PolarHBondContact O-N 2.91Å; A455-Q458 PolarHBondContact O-N 3.05Å; Q458-L461 PolarHBondContact O-N 3.11Å; Q458-K462 WeakPolarHBondContact O-CG 3.46Å; Q458-K462 PolarHBondContact O-N 3.42Å; Q458-D521 PolarHBondContact NE2-O 3.35Å; Q458-S523 PolarHBondContact OE1-OG 3.47Å
459E92.5Very high93.5Very high99 Ų9955.8 Ų55.846%0.46328%0.279SS..Hα-helixtrans-64.1-46172.6-166.1-167.4174.800111.6A455 L461 K462 R463A455-E459 WeakPolarHBondContact O-CB 3.39Å; A455-E459 PolarHBondContact O-N 2.76Å; E459-L461 VanDerWaalsContact C-N 3.33Å; E459-L461 PolarHBondContact O-N 2.87Å; E459-K462 PolarHBondContact O-N 3.31Å; E459-R463 WeakPolarHBondContact O-CG 3.33Å; E459-R463 PolarHBondContact O-N 3.45Å; E459-R463 IonicContact OE1-CZ 3.31Å; E459-R463 IonicContact OE1-NE 3.08Å; E459-R463 PolarHBondContact OE1-NE 3.27Å; E459-R463 IonicContact OE1-NH2 2.7Å; E459-R463 PolarHBondContact OE1-NH2 2.59Å
460G92Very high93.8Very high7 Ų754.4 Ų54.47%0.07228%0.278CS..Hα-helixtrans-57.8-42.917600000112.7A456 M457 R463 A464A456-G460 PolarHBondContact O-N 2.96Å; M457-G460 PolarHBondContact O-N 3.02Å; G460-R463 PolarHBondContact O-N 3.35Å; G460-A464 WeakPolarHBondContact O-CB 3.28Å; G460-A464 PolarHBondContact O-N 3.45Å
461L93Very high94.2Very high2 Ų248.8 Ų48.81%0.0125%0.254CS..Hα-helixtrans-64.5-43.9174.5-74.7168.2000112.3Y436 M457 Q458 E459 R463 A464 V465 D521 V522Y436-L461 HydrophobicContact CD2-CD2 3.9Å; Y436-L461 HydrophobicContact CD2-CG 3.71Å; Y436-L461 HydrophobicContact CE2-CD1 3.92Å; Y436-L461 HydrophobicContact CE2-CD2 3.57Å; Y436-L461 HydrophobicContact CE2-CG 3.44Å; Y436-L461 VanDerWaalsContact CE2-CG 3.44Å; Y436-L461 HydrophobicContact CG-CD2 4.48Å; M457-L461 WeakPolarHBondContact O-CG 3.06Å; M457-L461 PolarHBondContact O-N 2.87Å; Q458-L461 PolarHBondContact O-N 3.11Å; E459-L461 VanDerWaalsContact C-N 3.33Å; E459-L461 PolarHBondContact O-N 2.87Å; L461-R463 VanDerWaalsContact C-N 3.29Å; L461-R463 PolarHBondContact O-N 3.45Å; L461-A464 PolarHBondContact O-N 3.44Å; L461-V465 WeakPolarHBondContact O-CG2 3.4Å; L461-V465 PolarHBondContact O-N 3.19Å; L461-D521 HydrophobicContact CD1-CB 3.68Å; L461-D521 VanDerWaalsContact CD1-O 3.28Å; L461-D521 WeakPolarHBondContact CD1-O 3.2Å; L461-D521 HydrophobicContact CD2-CB 4.13Å; L461-V522 HydrophobicContact CB-CG2 3.93Å
462K94.3Very high94.5Very high69 Ų6945.2 Ų45.230%0.323%0.228SC..Hα-helixtrans-58.3-43.5175.4-76.4179.8174.4-171.10110.7Q458 E459 V465 S466 D524 F527Q458-K462 WeakPolarHBondContact O-CG 3.46Å; Q458-K462 PolarHBondContact O-N 3.42Å; E459-K462 PolarHBondContact O-N 3.31Å; K462-V465 PolarHBondContact O-N 2.81Å; K462-S466 WeakPolarHBondContact O-CB 3.24Å; K462-S466 PolarHBondContact O-N 2.93Å; K462-S466 PolarHBondContact O-OG 3.37Å; K462-D524 IonicContact NZ-OD2 3.53Å; K462-D524 PolarHBondContact NZ-OD2 3.04Å; K462-F527 HydrophobicContact CB-CZ 4.48Å; K462-F527 HydrophobicContact CG-CD1 4.39Å; K462-F527 HydrophobicContact CG-CE1 4.09Å; K462-F527 HydrophobicContact CG-CZ 4.26Å
463R92.1Very high94.8Very high133 Ų13341.4 Ų41.450%0.50222%0.217SC..Hα-helixtrans-62.4-45.5174-67.1178.9-171.6-172.51.1112.4E459 G460 L461 V465 S466 V467E459-R463 WeakPolarHBondContact O-CG 3.33Å; E459-R463 PolarHBondContact O-N 3.45Å; E459-R463 IonicContact OE1-CZ 3.31Å; E459-R463 IonicContact OE1-NE 3.08Å; E459-R463 PolarHBondContact OE1-NE 3.27Å; E459-R463 IonicContact OE1-NH2 2.7Å; E459-R463 PolarHBondContact OE1-NH2 2.59Å; G460-R463 PolarHBondContact O-N 3.35Å; L461-R463 VanDerWaalsContact C-N 3.29Å; L461-R463 PolarHBondContact O-N 3.45Å; R463-V465 PolarHBondContact O-N 3.36Å; R463-S466 PolarHBondContact O-N 3.2Å; R463-S466 VanDerWaalsContact O-N 3.14Å; R463-V467 PolarHBondContact O-N 3.35Å; R463-V467 VanDerWaalsContact O-N 3.17Å
464A93.1Very high95.1Very high9 Ų942.5 Ų42.57%0.07422%0.223CC..Hα-helixtrans-63-25.5177.300000113.4A432 G460 L461 P468A432-A464 HydrophobicContact CB-CB 4.42Å; G460-A464 WeakPolarHBondContact O-CB 3.28Å; G460-A464 PolarHBondContact O-N 3.45Å; L461-A464 PolarHBondContact O-N 3.44Å; A464-P468 WeakPolarHBondContact O-CD 3.21Å; A464-P468 WeakPolarHBondContact O-CG 3.5Å
465V96.3Very high95.4Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-81.9-41.3171.31690000111.7L461 K462 R463 V467 P468 L469 V515 N518 L519 V522 F527 T531L461-V465 WeakPolarHBondContact O-CG2 3.4Å; L461-V465 PolarHBondContact O-N 3.19Å; K462-V465 PolarHBondContact O-N 2.81Å; R463-V465 PolarHBondContact O-N 3.36Å; V465-V467 PolarHBondContact O-N 2.67Å; V465-P468 WeakPolarHBondContact O-CD 3.31Å; V465-P468 WeakPolarHBondContact O-CG 3.44Å; V465-L469 WeakPolarHBondContact O-CB 3.49Å; V465-L469 PolarHBondContact O-N 3.26Å; V465-L469 VanDerWaalsContact O-N 3.15Å; V465-V515 HydrophobicContact CG1-CG1 4.15Å; V465-N518 HydrophobicContact CG2-CB 3.56Å; V465-L519 HydrophobicContact CG1-CD2 3.9Å; V465-L519 HydrophobicContact CG1-CG 4.22Å; V465-L519 HydrophobicContact CG2-CD2 4.06Å; V465-L519 HydrophobicContact CG2-CG 4.13Å; V465-V522 HydrophobicContact CG2-CG2 4.47Å; V465-F527 HydrophobicContact CB-CE1 4.41Å; V465-F527 HydrophobicContact CG1-CE1 4.01Å; V465-F527 HydrophobicContact CG1-CZ 4.14Å; V465-T531 HydrophobicContact CG1-CG2 3.63Å
466S95.8Very high95.7Very high54 Ų5434.3 Ų34.338%0.37818%0.176SC..Hα-helixtrans-64.7-35.6-175.9-68.20000113.3K462 R463 L469 A470K462-S466 WeakPolarHBondContact O-CB 3.24Å; K462-S466 PolarHBondContact O-N 2.93Å; K462-S466 PolarHBondContact O-OG 3.37Å; R463-S466 PolarHBondContact O-N 3.2Å; R463-S466 VanDerWaalsContact O-N 3.14Å; S466-L469 PolarHBondContact O-N 3.05Å; S466-A470 VanDerWaalsContact O-CB 3.29Å; S466-A470 WeakPolarHBondContact O-CB 3.32Å; S466-A470 PolarHBondContact O-N 3.42Å
467V95.8Very high96Very high23 Ų2337.5 Ų37.514%0.13919%0.193CC..Hα-helixtrans-61.1-56.8178.7174.30000112.6L425 A428 D429 A432 R463 V465 L469 A470 L471L425-V467 HydrophobicContact CB-CG1 4.42Å; L425-V467 HydrophobicContact CD2-CG1 4.4Å; A428-V467 HydrophobicContact CB-CG1 4.21Å; A428-V467 HydrophobicContact CB-CG2 4.17Å; D429-V467 HydrophobicContact CB-CG1 4.08Å; A432-V467 HydrophobicContact CB-CG2 4.25Å; R463-V467 PolarHBondContact O-N 3.35Å; R463-V467 VanDerWaalsContact O-N 3.17Å; V465-V467 PolarHBondContact O-N 2.67Å; V467-L469 VanDerWaalsContact C-N 3.33Å; V467-L469 PolarHBondContact O-N 2.98Å; V467-A470 PolarHBondContact O-N 2.73Å; V467-L471 PolarHBondContact O-N 2.8Å
468P97.6Very high96.2Very high4 Ų435.9 Ų35.93%0.02619%0.185CC..Hα-helixtrans-67.9-29.4177.124.9-33.7000113.1A464 V465 L471 A472 A511 N514 V515A464-P468 WeakPolarHBondContact O-CD 3.21Å; A464-P468 WeakPolarHBondContact O-CG 3.5Å; V465-P468 WeakPolarHBondContact O-CD 3.31Å; V465-P468 WeakPolarHBondContact O-CG 3.44Å; P468-L471 WeakPolarHBondContact O-CB 3.18Å; P468-L471 PolarHBondContact O-N 2.83Å; P468-A472 PolarHBondContact O-N 2.92Å; P468-A472 VanDerWaalsContact O-N 3.13Å; P468-A511 HydrophobicContact CB-CB 4.05Å; P468-A511 WeakPolarHBondContact O-CB 3.48Å; P468-N514 HydrophobicContact CB-CB 4.01Å; P468-N514 HydrophobicContact CG-CB 4.09Å; P468-V515 HydrophobicContact CB-CG2 3.94Å; P468-V515 HydrophobicContact CG-CG2 3.73Å
469L98.3Very high96.4Very high23 Ų2334.5 Ų34.512%0.1218%0.178CC..Hα-helixtrans-62.2-47.7171.3179.665000111.1V465 S466 V467 L471 A472 E473 V515 T531 R534 V535 L538V465-L469 WeakPolarHBondContact O-CB 3.49Å; V465-L469 PolarHBondContact O-N 3.26Å; V465-L469 VanDerWaalsContact O-N 3.15Å; S466-L469 PolarHBondContact O-N 3.05Å; V467-L469 VanDerWaalsContact C-N 3.33Å; V467-L469 PolarHBondContact O-N 2.98Å; L469-L471 VanDerWaalsContact C-N 3.28Å; L469-L471 PolarHBondContact O-N 3.34Å; L469-A472 PolarHBondContact O-N 2.72Å; L469-A472 VanDerWaalsContact O-N 3.11Å; L469-E473 WeakPolarHBondContact O-CG 3.42Å; L469-E473 PolarHBondContact O-N 2.83Å; L469-V515 HydrophobicContact CB-CG2 4.2Å; L469-T531 HydrophobicContact CD1-CG2 4.43Å; L469-T531 HydrophobicContact CD2-CG2 3.93Å; L469-R534 HydrophobicContact CD1-CG 4.01Å; L469-V535 HydrophobicContact CD1-CB 4.25Å; L469-L538 HydrophobicContact CD1-CD1 4.2Å
470A98Very high96.7Very high32 Ų3233.7 Ų33.726%0.26418%0.182SC..Hα-helixtrans-59.3-40.4176.900000111.3S466 V467 A472 E473 K474S466-A470 VanDerWaalsContact O-CB 3.29Å; S466-A470 WeakPolarHBondContact O-CB 3.32Å; S466-A470 PolarHBondContact O-N 3.42Å; V467-A470 PolarHBondContact O-N 2.73Å; A470-A472 PolarHBondContact O-N 3.37Å; A470-E473 PolarHBondContact O-N 3.32Å; A470-K474 WeakPolarHBondContact O-CB 3.36Å; A470-K474 WeakPolarHBondContact O-CG 3.41Å; A470-K474 PolarHBondContact O-N 3.45Å
471L98.5Very high97Very high4 Ų434.2 Ų34.22%0.02118%0.183CC..Hα-helixtrans-53.1-53.5172.2-175.8166000111.3A378 L422 L425 V467 P468 L469 E473 K474 V475 A507 A511A378-L471 VanDerWaalsContact CA-CD1 3.44Å; A378-L471 HydrophobicContact CB-CD1 3.91Å; L422-L471 HydrophobicContact CD2-CB 4.43Å; L422-L471 HydrophobicContact CD2-CG 3.84Å; L425-L471 HydrophobicContact CD1-CB 3.75Å; L425-L471 HydrophobicContact CD1-CG 4.41Å; V467-L471 PolarHBondContact O-N 2.8Å; P468-L471 WeakPolarHBondContact O-CB 3.18Å; P468-L471 PolarHBondContact O-N 2.83Å; L469-L471 VanDerWaalsContact C-N 3.28Å; L469-L471 PolarHBondContact O-N 3.34Å; L471-E473 VanDerWaalsContact C-N 3.31Å; L471-E473 PolarHBondContact O-N 2.95Å; L471-K474 PolarHBondContact O-N 3.47Å; L471-V475 HydrophobicContact CD2-CG2 4.03Å; L471-V475 WeakPolarHBondContact O-CG2 3.26Å; L471-V475 PolarHBondContact O-N 3.25Å; L471-A507 HydrophobicContact CD2-CB 3.97Å; L471-A511 HydrophobicContact CB-CB 4.44Å; L471-A511 HydrophobicContact CD2-CB 3.94Å
472A98.6Very high97.2Very high0 Ų034.1 Ų34.10%018%0.183CC..Hα-helixtrans-61.6-39.5-177.900000112.2P468 L469 A470 V475 S476 V508 A511 L538P468-A472 PolarHBondContact O-N 2.92Å; P468-A472 VanDerWaalsContact O-N 3.13Å; L469-A472 PolarHBondContact O-N 2.72Å; L469-A472 VanDerWaalsContact O-N 3.11Å; A470-A472 PolarHBondContact O-N 3.37Å; A472-V475 PolarHBondContact O-N 3.46Å; A472-S476 PolarHBondContact O-N 3.46Å; A472-V508 HydrophobicContact CB-CG1 4.23Å; A472-A511 HydrophobicContact CB-CB 4.11Å; A472-L538 HydrophobicContact CB-CB 4.3Å; A472-L538 HydrophobicContact CB-CD1 3.78Å
473E98.4Very high97.4Very high72 Ų7234.5 Ų34.534%0.33619%0.185SC..Hα-helixtrans-68.5-35.8176.5-68.1-176.1145.800113.1L469 A470 L471 S476 R534 L538L469-E473 WeakPolarHBondContact O-CG 3.42Å; L469-E473 PolarHBondContact O-N 2.83Å; A470-E473 PolarHBondContact O-N 3.32Å; L471-E473 VanDerWaalsContact C-N 3.31Å; L471-E473 PolarHBondContact O-N 2.95Å; E473-S476 PolarHBondContact O-N 3.45Å; E473-S476 PolarHBondContact O-OG 2.99Å; E473-R534 IonicContact OE1-CZ 3.92Å; E473-R534 IonicContact OE1-NE 2.76Å; E473-R534 PolarHBondContact OE1-NE 3.29Å; E473-R534 VanDerWaalsContact OE1-NE 3.11Å; E473-R534 IonicContact OE1-NH2 3.17Å; E473-L538 HydrophobicContact CG-CD1 3.59Å
474K98.1Very high97.7Very high79 Ų7931.8 Ų31.834%0.34318%0.178SC..Hα-helixtrans-70-33.8174.8-69.3-61.3-173.4159.80112.3E421 L422 A470 L471 V477E421-K474 IonicContact OE1-NZ 3.68Å; E421-K474 WeakPolarHBondContact OE2-CD 3.49Å; E421-K474 WeakPolarHBondContact OE2-CE 3.39Å; E421-K474 IonicContact OE2-NZ 3.49Å; E421-K474 PolarHBondContact OE2-NZ 2.74Å; L422-K474 HydrophobicContact CD2-CB 4.32Å; A470-K474 WeakPolarHBondContact O-CB 3.36Å; A470-K474 WeakPolarHBondContact O-CG 3.41Å; A470-K474 PolarHBondContact O-N 3.45Å; L471-K474 PolarHBondContact O-N 3.47Å; K474-V477 WeakPolarHBondContact O-CG2 3.42Å
475V98.7Very high97.9Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-72.9-35.9174.5172.30000111.5L422 L471 A472 V477 L478 W479 L504 V508L422-V475 HydrophobicContact CD1-CG2 4.2Å; L422-V475 HydrophobicContact CD2-CG2 4.45Å; L471-V475 HydrophobicContact CD2-CG2 4.03Å; L471-V475 WeakPolarHBondContact O-CG2 3.26Å; L471-V475 PolarHBondContact O-N 3.25Å; A472-V475 PolarHBondContact O-N 3.46Å; V475-V477 PolarHBondContact O-N 2.91Å; V475-L478 VanDerWaalsContact O-CB 3.31Å; V475-L478 WeakPolarHBondContact O-CB 3.38Å; V475-L478 PolarHBondContact O-N 2.82Å; V475-W479 HydrophobicContact CG1-CH2 3.8Å; V475-W479 HydrophobicContact CG1-CZ2 3.47Å; V475-W479 VanDerWaalsContact CG1-CZ2 3.47Å; V475-L504 HydrophobicContact CG1-CB 3.78Å; V475-L504 HydrophobicContact CG1-CD2 3.97Å; V475-L504 HydrophobicContact CG1-CG 4.36Å; V475-L504 HydrophobicContact CG2-CD2 4.01Å; V475-V508 HydrophobicContact CB-CG2 3.78Å; V475-V508 HydrophobicContact CG1-CG2 3.53Å; V475-V508 HydrophobicContact CG2-CG2 4.43Å
476S98.3Very high97.9Very high12 Ų1231.7 Ų31.78%0.08418%0.176CC..Hα-helixtrans-61.3-32-175.473.70000113.6A472 E473 L478 W479A472-S476 PolarHBondContact O-N 3.46Å; E473-S476 PolarHBondContact O-N 3.45Å; E473-S476 PolarHBondContact O-OG 2.99Å; S476-L478 PolarHBondContact O-N 3.03Å; S476-W479 VanDerWaalsContact O-CD1 3.26Å
477V97.9Very high97.9Very high94 Ų9432.5 Ų32.557%0.5718%0.176SC*.THydrogen-bonded Turntrans-70.6-11.8177.1-58.50000113.6K474 V475 P481K474-V477 WeakPolarHBondContact O-CG2 3.42Å; V475-V477 PolarHBondContact O-N 2.91Å; V477-P481 WeakPolarHBondContact O-CD 3.35Å
478L98.7Very high97.8Very high1 Ų135.3 Ų35.31%0.00519%0.186CC..THydrogen-bonded Turntrans-89.3-13.9-177.5-56.8-178.9000113.6A385 P414 F415 A418 V475 S476 P481 L482 L504A385-L478 HydrophobicContact CB-CD1 4.11Å; P414-L478 HydrophobicContact CB-CD2 4.15Å; F415-L478 HydrophobicContact CD1-CB 4.44Å; F415-L478 HydrophobicContact CD1-CD1 4.11Å; F415-L478 HydrophobicContact CD1-CD2 4.08Å; F415-L478 HydrophobicContact CD1-CG 4.45Å; F415-L478 HydrophobicContact CE1-CB 3.84Å; F415-L478 HydrophobicContact CE1-CD1 4.24Å; F415-L478 HydrophobicContact CE1-CD2 4.22Å; F415-L478 HydrophobicContact CE1-CG 4.33Å; F415-L478 HydrophobicContact CZ-CB 4.41Å; A418-L478 HydrophobicContact CB-CD1 3.73Å; A418-L478 HydrophobicContact CB-CD2 3.89Å; A418-L478 HydrophobicContact CB-CG 4.24Å; V475-L478 VanDerWaalsContact O-CB 3.31Å; V475-L478 WeakPolarHBondContact O-CB 3.38Å; V475-L478 PolarHBondContact O-N 2.82Å; S476-L478 PolarHBondContact O-N 3.03Å; L478-P481 VanDerWaalsContact O-CD 3.26Å; L478-P481 WeakPolarHBondContact O-CD 3.3Å; L478-P481 WeakPolarHBondContact O-CG 3.1Å; L478-L482 WeakPolarHBondContact O-CB 3.45Å; L478-L482 PolarHBondContact O-N 2.89Å; L478-L504 HydrophobicContact CB-CD1 4.43Å; L478-L504 HydrophobicContact CD1-CD1 4.26Å; L478-L504 HydrophobicContact CD1-CD2 4Å
479W98.6Very high97.6Very high7 Ų735.1 Ų35.13%0.02719%0.185CC..Hα-helixtrans-63.6-49-176.7-54.6132.9000113.8V475 S476 L482 K483 L504 V508 A542 V546 I549V475-W479 HydrophobicContact CG1-CH2 3.8Å; V475-W479 HydrophobicContact CG1-CZ2 3.47Å; V475-W479 VanDerWaalsContact CG1-CZ2 3.47Å; S476-W479 VanDerWaalsContact O-CD1 3.26Å; W479-L482 HydrophobicContact CE3-CD2 4.3Å; W479-L482 HydrophobicContact CZ3-CD2 4.26Å; W479-L482 PolarHBondContact O-N 3.05Å; W479-K483 PolarHBondContact O-N 3.26Å; W479-K483 VanDerWaalsContact O-N 3.07Å; W479-L504 HydrophobicContact CH2-CB 3.32Å; W479-L504 HydrophobicContact CH2-CD1 4.48Å; W479-L504 HydrophobicContact CZ2-CB 4.35Å; W479-L504 HydrophobicContact CZ3-CB 3.57Å; W479-L504 HydrophobicContact CZ3-CD1 3.96Å; W479-L504 HydrophobicContact CZ3-CG 4.44Å; W479-V508 HydrophobicContact CZ2-CG2 4.28Å; W479-A542 HydrophobicContact CH2-CB 4.46Å; W479-A542 HydrophobicContact CZ2-CB 3.57Å; W479-V546 HydrophobicContact CH2-CG2 3.87Å; W479-V546 HydrophobicContact CZ3-CG2 3.84Å; W479-I549 HydrophobicContact CE3-CD1 4.06Å
480P98.3Very high97.5Very high83 Ų8335.3 Ų35.354%0.53919%0.187SC..Hα-helixtrans-59.3-50.9176.4-21.933.8000113.5L482 K483 Q484P480-L482 VanDerWaalsContact C-N 3.28Å; P480-L482 PolarHBondContact O-N 3.21Å; P480-K483 PolarHBondContact O-N 3.02Å; P480-Q484 WeakPolarHBondContact O-CG 3.45Å; P480-Q484 PolarHBondContact O-N 2.86Å; P480-Q484 VanDerWaalsContact O-N 3.16Å
481P98.2Very high97.4Very high17 Ų1736.9 Ų36.911%0.1119%0.19CC..Hα-helixtrans-66.8-27.6178.726.4-33.6000112.7L411 F415 V477 L478 Q484 M485L411-P481 HydrophobicContact CD2-CB 3.82Å; F415-P481 HydrophobicContact CE2-CB 3.9Å; F415-P481 HydrophobicContact CE2-CG 4.21Å; F415-P481 HydrophobicContact CZ-CB 4.27Å; F415-P481 HydrophobicContact CZ-CG 4.19Å; V477-P481 WeakPolarHBondContact O-CD 3.35Å; L478-P481 VanDerWaalsContact O-CD 3.26Å; L478-P481 WeakPolarHBondContact O-CD 3.3Å; L478-P481 WeakPolarHBondContact O-CG 3.1Å; P481-Q484 PolarHBondContact O-N 2.87Å; P481-M485 WeakPolarHBondContact O-CB 3.37Å; P481-M485 PolarHBondContact O-N 3.21Å
482L98.4Very high97.2Very high0 Ų039.5 Ų39.50%022%0.217CC..Hα-helixtrans-67.6-42.2176.5-173.154.5000111.3F415 L478 W479 P480 Q484 M485 V486 A500 A501 L504 I549F415-L482 HydrophobicContact CE1-CB 4.19Å; F415-L482 HydrophobicContact CE1-CD1 4.25Å; F415-L482 HydrophobicContact CZ-CB 3.66Å; F415-L482 HydrophobicContact CZ-CD1 4.01Å; F415-L482 HydrophobicContact CZ-CG 4.39Å; L478-L482 WeakPolarHBondContact O-CB 3.45Å; L478-L482 PolarHBondContact O-N 2.89Å; W479-L482 HydrophobicContact CE3-CD2 4.3Å; W479-L482 HydrophobicContact CZ3-CD2 4.26Å; W479-L482 PolarHBondContact O-N 3.05Å; P480-L482 VanDerWaalsContact C-N 3.28Å; P480-L482 PolarHBondContact O-N 3.21Å; L482-Q484 VanDerWaalsContact C-N 3.32Å; L482-Q484 PolarHBondContact O-N 3.27Å; L482-M485 WeakPolarHBondContact O-CB 3.44Å; L482-M485 PolarHBondContact O-N 3.27Å; L482-M485 VanDerWaalsContact O-N 3.16Å; L482-V486 PolarHBondContact O-N 3.02Å; L482-A500 HydrophobicContact CD1-CB 4.3Å; L482-A501 HydrophobicContact CD2-CB 3.94Å; L482-L504 HydrophobicContact CD2-CD1 3.91Å; L482-I549 HydrophobicContact CB-CD1 4.03Å; L482-I549 HydrophobicContact CD2-CD1 3.98Å; L482-I549 HydrophobicContact CG-CD1 4.03Å; L482-I549 HydrophobicContact CG-CG2 4.26Å
483K98.1Very high97.1Very high77 Ų7739.8 Ų39.834%0.33522%0.22SC..Hα-helixtrans-60.1-44.4173.9-170.9169.9-179.81720111.3W479 P480 M485 V486 L487 S548 I549W479-K483 PolarHBondContact O-N 3.26Å; W479-K483 VanDerWaalsContact O-N 3.07Å; P480-K483 PolarHBondContact O-N 3.02Å; K483-M485 VanDerWaalsContact C-N 3.3Å; K483-M485 PolarHBondContact O-N 2.98Å; K483-V486 PolarHBondContact O-N 2.64Å; K483-L487 HydrophobicContact CG-CD1 4.49Å; K483-L487 WeakPolarHBondContact O-CG 3.38Å; K483-L487 PolarHBondContact O-N 2.75Å; K483-L487 VanDerWaalsContact O-N 3.08Å; K483-S548 PolarHBondContact NZ-OG 2.99Å; K483-I549 HydrophobicContact CB-CG1 3.85Å; K483-I549 HydrophobicContact CG-CG1 4.31Å
484Q97.8Very high97Very high76 Ų7640 Ų4036%0.35522%0.219SC..Hα-helixtrans-64.6-36.6175.6-61.3-60.9-47.300111.8L411 P480 P481 L482 V486 L487 F488L411-Q484 HydrophobicContact CD1-CB 3.72Å; L411-Q484 HydrophobicContact CD2-CB 3.77Å; L411-Q484 HydrophobicContact CD2-CG 4.4Å; L411-Q484 HydrophobicContact CG-CB 4.42Å; P480-Q484 WeakPolarHBondContact O-CG 3.45Å; P480-Q484 PolarHBondContact O-N 2.86Å; P480-Q484 VanDerWaalsContact O-N 3.16Å; P481-Q484 PolarHBondContact O-N 2.87Å; L482-Q484 VanDerWaalsContact C-N 3.32Å; L482-Q484 PolarHBondContact O-N 3.27Å; Q484-V486 VanDerWaalsContact C-N 3.32Å; Q484-V486 PolarHBondContact O-N 3.5Å; Q484-L487 PolarHBondContact O-N 2.97Å; Q484-L487 VanDerWaalsContact O-N 3.16Å; Q484-F488 HydrophobicContact CB-CD2 4.34Å; Q484-F488 WeakPolarHBondContact O-CD2 3.2Å; Q484-F488 PolarHBondContact O-N 3.29Å
485M97Very high96.9Very high1 Ų139.4 Ų39.41%0.00523%0.225CC..Hα-helixtrans-62.8-39.4175.2-159.667.681.200111.5G388 V391 G392 M408 L411 I412 F415 P481 L482 K483 L487 G489G388-M485 WeakPolarHBondContact O-CE 3.4Å; V391-M485 HydrophobicContact CB-CG 3.86Å; V391-M485 HydrophobicContact CG1-CG 3.51Å; V391-M485 HydrophobicContact CG1-SD 4.24Å; G392-M485 WeakPolarHBondContact CA-SD 3.49Å; G392-M485 PolarHBondContact N-SD 2.71Å; M408-M485 HydrophobicContact CE-SD 4.46Å; M408-M485 HydrophobicContact SD-SD 3.87Å; L411-M485 HydrophobicContact CB-CE 3.54Å; L411-M485 HydrophobicContact CB-SD 4.32Å; L411-M485 HydrophobicContact CD1-SD 4.34Å; I412-M485 HydrophobicContact CG1-CE 4.48Å; F415-M485 HydrophobicContact CD2-CE 4.02Å; F415-M485 HydrophobicContact CE2-CE 3.99Å; P481-M485 WeakPolarHBondContact O-CB 3.37Å; P481-M485 PolarHBondContact O-N 3.21Å; L482-M485 WeakPolarHBondContact O-CB 3.44Å; L482-M485 PolarHBondContact O-N 3.27Å; L482-M485 VanDerWaalsContact O-N 3.16Å; K483-M485 VanDerWaalsContact C-N 3.3Å; K483-M485 PolarHBondContact O-N 2.98Å; M485-L487 VanDerWaalsContact C-N 3.34Å; M485-G489 WeakPolarHBondContact O-CA 3.36Å; M485-G489 PolarHBondContact O-N 3.3Å
486V96.4Very high96.9Very high7 Ų741.4 Ų41.44%0.04224%0.236CC..Hα-helixtrans-66.1-34.2173.2165.80000112.5L482 K483 Q484 A497 I549 A552 A553 R556L482-V486 PolarHBondContact O-N 3.02Å; K483-V486 PolarHBondContact O-N 2.64Å; Q484-V486 VanDerWaalsContact C-N 3.32Å; Q484-V486 PolarHBondContact O-N 3.5Å; V486-A497 HydrophobicContact CG2-CB 3.69Å; V486-I549 HydrophobicContact CG2-CG2 3.76Å; V486-A552 HydrophobicContact CG1-CB 4.19Å; V486-A553 HydrophobicContact CG1-CB 3.63Å; V486-R556 WeakPolarHBondContact O-CD 3.31Å; V486-R556 VanDerWaalsContact O-CZ 3.31Å; V486-R556 PolarHBondContact O-NE 3.41Å; V486-R556 PolarHBondContact O-NH1 3.3Å
487L95.1Very high96.9Very high70 Ų7040.9 Ų40.937%0.36623%0.232SC..Hα-helixtrans-79.6-36.7-178.3-68173000113.1K483 Q484 M485 A552 R556K483-L487 HydrophobicContact CG-CD1 4.49Å; K483-L487 WeakPolarHBondContact O-CG 3.38Å; K483-L487 PolarHBondContact O-N 2.75Å; K483-L487 VanDerWaalsContact O-N 3.08Å; Q484-L487 PolarHBondContact O-N 2.97Å; Q484-L487 VanDerWaalsContact O-N 3.16Å; M485-L487 VanDerWaalsContact C-N 3.34Å; L487-A552 HydrophobicContact CD2-CB 4.26Å; L487-R556 PolarHBondContact O-NE 2.92Å; L487-R556 VanDerWaalsContact O-NE 3.13Å; L487-R556 PolarHBondContact O-NH2 3.24Å
488F94.6Very high96.9Very high82 Ų8238.9 Ų38.936%0.3622%0.217SC..Hα-helixtrans-111.6-27.8-172.5-59.4-53.1000114.4L404 V407 M408 Q484L404-F488 WeakPolarHBondContact CD1-O 2.94Å; L404-F488 HydrophobicContact CD2-CB 4.35Å; L404-F488 HydrophobicContact CD2-CD1 4.48Å; V407-F488 HydrophobicContact CG1-CD2 3.92Å; V407-F488 HydrophobicContact CG1-CE2 4.5Å; V407-F488 HydrophobicContact CG1-CG 4.48Å; M408-F488 HydrophobicContact CE-CB 3.87Å; Q484-F488 HydrophobicContact CB-CD2 4.34Å; Q484-F488 WeakPolarHBondContact O-CD2 3.2Å; Q484-F488 PolarHBondContact O-N 3.29Å
489G94.3Very high96.9Very high1 Ų142.9 Ų42.91%0.0124%0.241CC..SBendtrans-61.6168.9-176.800000112.9T395 M485 I491 R556T395-G489 WeakPolarHBondContact OG1-CA 3.42Å; M485-G489 WeakPolarHBondContact O-CA 3.36Å; M485-G489 PolarHBondContact O-N 3.3Å; G489-I491 PolarHBondContact O-N 2.85Å; G489-I491 VanDerWaalsContact O-N 3.14Å; G489-R556 PolarHBondContact O-NH1 3.09Å; G489-R556 PolarHBondContact O-NH2 3.4Å
490N95.2Very high96.9Very high27 Ų2742.5 Ų42.514%0.14424%0.24CC..  trans-56.6120.3178.2179.111000110.8T395 F401 G492 C493T395-N490 PolarHBondContact OG1-N 3.39Å; F401-N490 HydrophobicContact CE2-CB 3.99Å; F401-N490 HydrophobicContact CZ-CB 3.95Å; N490-G492 PolarHBondContact O-N 3.04Å; N490-G492 VanDerWaalsContact O-N 3.16Å; N490-G492 PolarHBondContact OD1-N 2.84Å; N490-G492 VanDerWaalsContact OD1-N 3.08Å; N490-C493 WeakPolarHBondContact O-CB 3.48Å; N490-C493 PolarHBondContact O-N 3.14Å
491I95Very high96.9Very high65 Ų6538.6 Ų38.633%0.33321%0.214SC..G310 helixtrans-60.3-27.3-180-165.2166.4000112.8G489 C493 K494 R556 T557G489-I491 PolarHBondContact O-N 2.85Å; G489-I491 VanDerWaalsContact O-N 3.14Å; I491-C493 PolarHBondContact O-N 3.08Å; I491-C493 VanDerWaalsContact O-N 3.15Å; I491-K494 WeakPolarHBondContact O-CB 3.45Å; I491-K494 PolarHBondContact O-N 2.62Å; I491-R556 HydrophobicContact CD1-CG 4.28Å; I491-T557 WeakPolarHBondContact CD1-O 3.36Å; I491-T557 WeakPolarHBondContact CD1-OXT 3.33Å
492G95.5Very high96.9Very high58 Ų5842.4 Ų42.460%0.59823%0.229SC*.G310 helixtrans-62.5-18.3173.600000113.8N490N490-G492 PolarHBondContact O-N 3.04Å; N490-G492 VanDerWaalsContact O-N 3.16Å; N490-G492 PolarHBondContact OD1-N 2.84Å; N490-G492 VanDerWaalsContact OD1-N 3.08Å
493C95.8Very high96.9Very high7 Ų743.1 Ų43.15%0.04724%0.235CC..G310 helixtrans-100.518.8175.6-60.80000112.2V391 N490 I491 S495 D496 A497V391-C493 HydrophobicContact CB-CB 4.39Å; V391-C493 HydrophobicContact CG1-CB 4.12Å; V391-C493 HydrophobicContact CG2-CB 3.96Å; N490-C493 WeakPolarHBondContact O-CB 3.48Å; N490-C493 PolarHBondContact O-N 3.14Å; I491-C493 PolarHBondContact O-N 3.08Å; I491-C493 VanDerWaalsContact O-N 3.15Å; C493-S495 VanDerWaalsContact C-N 3.33Å; C493-S495 PolarHBondContact O-N 3.16Å; C493-D496 WeakPolarHBondContact CA-OD2 3.22Å; C493-D496 HydrophobicContact CB-CB 4.35Å; C493-D496 WeakPolarHBondContact CB-OD2 3.42Å; C493-D496 WeakPolarHBondContact O-CB 3.45Å; C493-D496 PolarHBondContact O-N 2.94Å; C493-D496 VanDerWaalsContact O-N 3.13Å; C493-A497 PolarHBondContact O-N 3.45Å; C493-A497 VanDerWaalsContact O-N 3.07Å
494K96Very high97Very high76 Ų7639.5 Ų39.533%0.3322%0.219SC..Hα-helixtrans-55.8-46.5179.5177.8169.872.2177.40112.1I491 D496 A497 Q498 A553I491-K494 WeakPolarHBondContact O-CB 3.45Å; I491-K494 PolarHBondContact O-N 2.62Å; K494-D496 VanDerWaalsContact C-N 3.26Å; K494-D496 PolarHBondContact O-N 3.15Å; K494-A497 PolarHBondContact O-N 2.95Å; K494-Q498 HydrophobicContact CG-CG 4.45Å; K494-Q498 WeakPolarHBondContact O-CG 3.42Å; K494-Q498 PolarHBondContact O-N 3.29Å; K494-A553 HydrophobicContact CD-CB 4.26Å; K494-A553 WeakPolarHBondContact CD-O 3.35Å; K494-A553 HydrophobicContact CG-CB 4.22Å
495S97Very high97Very high67 Ų6737.6 Ų37.647%0.46921%0.21SC..Hα-helixtrans-59.6-39.6177.751.80000111.8C493 A497 Q498 V499C493-S495 VanDerWaalsContact C-N 3.33Å; C493-S495 PolarHBondContact O-N 3.16Å; S495-A497 PolarHBondContact O-N 2.82Å; S495-Q498 PolarHBondContact O-N 3.01Å; S495-V499 WeakPolarHBondContact O-CG2 3.39Å; S495-V499 PolarHBondContact O-N 3.38Å
496D98.4Very high97.1Very high41 Ų4141.1 Ų41.122%0.21923%0.232CC..Hα-helixtrans-64.2-42.3179.4-54.1-43.8000110.9L387 V391 C493 K494 V499 A500L387-D496 HydrophobicContact CD2-CB 4.22Å; V391-D496 HydrophobicContact CG2-CB 3.92Å; C493-D496 WeakPolarHBondContact CA-OD2 3.22Å; C493-D496 HydrophobicContact CB-CB 4.35Å; C493-D496 WeakPolarHBondContact CB-OD2 3.42Å; C493-D496 WeakPolarHBondContact O-CB 3.45Å; C493-D496 PolarHBondContact O-N 2.94Å; C493-D496 VanDerWaalsContact O-N 3.13Å; K494-D496 VanDerWaalsContact C-N 3.26Å; K494-D496 PolarHBondContact O-N 3.15Å; D496-V499 PolarHBondContact O-N 3.47Å; D496-A500 WeakPolarHBondContact O-CB 3.47Å; D496-A500 PolarHBondContact O-N 2.8Å
497A97.6Very high97.2Very high2 Ų240.8 Ų40.82%0.01723%0.23CC..Hα-helixtrans-67.4-35.5176.100000113V391 V486 C493 K494 S495 A500 A501V391-A497 HydrophobicContact CG2-CB 4.11Å; V486-A497 HydrophobicContact CG2-CB 3.69Å; C493-A497 PolarHBondContact O-N 3.45Å; C493-A497 VanDerWaalsContact O-N 3.07Å; K494-A497 PolarHBondContact O-N 2.95Å; S495-A497 PolarHBondContact O-N 2.82Å; A497-A500 WeakPolarHBondContact O-CB 3.32Å; A497-A500 PolarHBondContact O-N 2.95Å; A497-A501 PolarHBondContact O-N 3.45Å
498Q98.3Very high97.4Very high52 Ų5237.5 Ų37.524%0.24321%0.213CC..Hα-helixtrans-67.4-42.6175.2-69175.7-57.500111.5K494 S495 A500 A501 K502 L550 A553K494-Q498 HydrophobicContact CG-CG 4.45Å; K494-Q498 WeakPolarHBondContact O-CG 3.42Å; K494-Q498 PolarHBondContact O-N 3.29Å; S495-Q498 PolarHBondContact O-N 3.01Å; Q498-A500 VanDerWaalsContact C-N 3.35Å; Q498-A501 PolarHBondContact O-N 2.91Å; Q498-K502 PolarHBondContact O-N 3.27Å; Q498-L550 HydrophobicContact CB-CD2 3.75Å; Q498-L550 HydrophobicContact CG-CD2 3.7Å; Q498-A553 HydrophobicContact CG-CB 3.98Å
499V98.7Very high97.6Very high84 Ų8438.4 Ų38.451%0.50922%0.217SC..Hα-helixtrans-64.6-41.2173.7175.50000110.5L387 S495 D496 A501 K502 A503L387-V499 HydrophobicContact CD1-CB 4Å; L387-V499 HydrophobicContact CD1-CG1 3.58Å; S495-V499 WeakPolarHBondContact O-CG2 3.39Å; S495-V499 PolarHBondContact O-N 3.38Å; D496-V499 PolarHBondContact O-N 3.47Å; V499-A501 VanDerWaalsContact C-N 3.33Å; V499-A501 PolarHBondContact O-N 3.37Å; V499-K502 PolarHBondContact O-N 2.98Å; V499-A503 VanDerWaalsContact O-CB 3.3Å; V499-A503 WeakPolarHBondContact O-CB 3.45Å; V499-A503 PolarHBondContact O-N 3.28Å
500A98.7Very high97.8Very high0 Ų038.9 Ų38.90%022%0.222CC..Hα-helixtrans-55-48.1174.600000111.6G384 L387 L482 D496 A497 Q498 K502 A503 L504G384-A500 WeakPolarHBondContact O-CB 3.24Å; L387-A500 HydrophobicContact CB-CB 3.7Å; L387-A500 HydrophobicContact CD1-CB 4.47Å; L482-A500 HydrophobicContact CD1-CB 4.3Å; D496-A500 WeakPolarHBondContact O-CB 3.47Å; D496-A500 PolarHBondContact O-N 2.8Å; A497-A500 WeakPolarHBondContact O-CB 3.32Å; A497-A500 PolarHBondContact O-N 2.95Å; Q498-A500 VanDerWaalsContact C-N 3.35Å; A500-K502 PolarHBondContact O-N 3.24Å; A500-A503 PolarHBondContact O-N 2.87Å; A500-L504 WeakPolarHBondContact O-CB 3.42Å; A500-L504 VanDerWaalsContact O-CG 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 3.26Å
501A98.8Very high98Very high0 Ų037.6 Ų37.60%022%0.215CC..Hα-helixtrans-58.9-48.2178.800000111.9L482 A497 Q498 V499 L504 E505 V546 I549 L550L482-A501 HydrophobicContact CD2-CB 3.94Å; A497-A501 PolarHBondContact O-N 3.45Å; Q498-A501 PolarHBondContact O-N 2.91Å; V499-A501 VanDerWaalsContact C-N 3.33Å; V499-A501 PolarHBondContact O-N 3.37Å; A501-L504 PolarHBondContact O-N 3.22Å; A501-E505 PolarHBondContact O-N 2.87Å; A501-V546 HydrophobicContact CB-CG1 4.3Å; A501-V546 HydrophobicContact CB-CG2 4.43Å; A501-I549 HydrophobicContact CB-CG2 4.05Å; A501-L550 HydrophobicContact CB-CD2 4.43Å
502K98.8Very high98.1Very high97 Ų9736.6 Ų36.642%0.42221%0.207SC..Hα-helixtrans-70.2-34.2179.7-76-64.7-179.9-171.50113.9Q498 V499 A500 E505 T506 V546 L550Q498-K502 PolarHBondContact O-N 3.27Å; V499-K502 PolarHBondContact O-N 2.98Å; A500-K502 PolarHBondContact O-N 3.24Å; K502-E505 WeakPolarHBondContact CD-OE2 3.46Å; K502-E505 WeakPolarHBondContact CE-OE2 3.11Å; K502-E505 IonicContact NZ-OE1 2.68Å; K502-E505 IonicContact NZ-OE2 2.74Å; K502-E505 PolarHBondContact NZ-OE2 3.47Å; K502-E505 PolarHBondContact O-N 2.82Å; K502-T506 WeakPolarHBondContact O-CB 3.46Å; K502-T506 PolarHBondContact O-N 3.04Å; K502-T506 PolarHBondContact O-OG1 3.45Å; K502-V546 HydrophobicContact CD-CG1 4.08Å; K502-L550 HydrophobicContact CD-CD1 4.49Å; K502-L550 HydrophobicContact CG-CD1 4.43Å
503A98.9Very high98.3Very high16 Ų1639.9 Ų39.913%0.13220%0.203CC..Hα-helixtrans-63.8-49.1173.800000110.7V380 V499 A500 E505 T506 A507V380-A503 HydrophobicContact CG1-CB 4.04Å; V380-A503 WeakPolarHBondContact CG1-O 3.37Å; V499-A503 VanDerWaalsContact O-CB 3.3Å; V499-A503 WeakPolarHBondContact O-CB 3.45Å; V499-A503 PolarHBondContact O-N 3.28Å; A500-A503 PolarHBondContact O-N 2.87Å; A503-E505 VanDerWaalsContact C-N 3.32Å; A503-E505 PolarHBondContact O-N 3.49Å; A503-T506 PolarHBondContact O-N 3.11Å; A503-A507 PolarHBondContact O-N 2.74Å
504L98.9Very high98.3Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-61.4-39.5176.4-68.4172.1000111.9G381 A385 V475 L478 W479 L482 A500 A501 T506 A507 V508G381-L504 WeakPolarHBondContact O-CD2 3.48Å; A385-L504 HydrophobicContact CB-CD2 4.48Å; V475-L504 HydrophobicContact CG1-CB 3.78Å; V475-L504 HydrophobicContact CG1-CD2 3.97Å; V475-L504 HydrophobicContact CG1-CG 4.36Å; V475-L504 HydrophobicContact CG2-CD2 4.01Å; L478-L504 HydrophobicContact CB-CD1 4.43Å; L478-L504 HydrophobicContact CD1-CD1 4.26Å; L478-L504 HydrophobicContact CD1-CD2 4Å; W479-L504 HydrophobicContact CH2-CB 3.32Å; W479-L504 HydrophobicContact CH2-CD1 4.48Å; W479-L504 HydrophobicContact CZ2-CB 4.35Å; W479-L504 HydrophobicContact CZ3-CB 3.57Å; W479-L504 HydrophobicContact CZ3-CD1 3.96Å; W479-L504 HydrophobicContact CZ3-CG 4.44Å; L482-L504 HydrophobicContact CD2-CD1 3.91Å; A500-L504 WeakPolarHBondContact O-CB 3.42Å; A500-L504 VanDerWaalsContact O-CG 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 3.26Å; A501-L504 PolarHBondContact O-N 3.22Å; L504-T506 PolarHBondContact O-N 3.45Å; L504-A507 WeakPolarHBondContact O-CB 3.49Å; L504-A507 PolarHBondContact O-N 2.8Å; L504-V508 WeakPolarHBondContact O-CG2 3.43Å; L504-V508 PolarHBondContact O-N 2.93Å; L504-V508 VanDerWaalsContact O-N 3.09Å
505E98.8Very high98.4Very high36 Ų3637.5 Ų37.517%0.16819%0.193CC..Hα-helixtrans-59.8-47.1174.8-165.3-174.7-169.300111.3A501 K502 A503 A507 V508 F509 V546A501-E505 PolarHBondContact O-N 2.87Å; K502-E505 WeakPolarHBondContact CD-OE2 3.46Å; K502-E505 WeakPolarHBondContact CE-OE2 3.11Å; K502-E505 IonicContact NZ-OE1 2.68Å; K502-E505 IonicContact NZ-OE2 2.74Å; K502-E505 PolarHBondContact NZ-OE2 3.47Å; K502-E505 PolarHBondContact O-N 2.82Å; A503-E505 VanDerWaalsContact C-N 3.32Å; A503-E505 PolarHBondContact O-N 3.49Å; E505-A507 VanDerWaalsContact C-N 3.27Å; E505-A507 PolarHBondContact O-N 3.39Å; E505-V508 PolarHBondContact O-N 2.83Å; E505-F509 WeakPolarHBondContact O-CB 3.43Å; E505-F509 PolarHBondContact O-N 3Å; E505-V546 HydrophobicContact CB-CG2 3.78Å; E505-V546 HydrophobicContact CG-CG2 4.06Å
506T98.9Very high98.5Very high76 Ų7636.1 Ų36.147%0.46618%0.179SC..Hα-helixtrans-64.2-35.5-179.9-570000111.1V380 K502 A503 L504 F509 G510V380-T506 HydrophobicContact CG1-CG2 4.42Å; K502-T506 WeakPolarHBondContact O-CB 3.46Å; K502-T506 PolarHBondContact O-N 3.04Å; K502-T506 PolarHBondContact O-OG1 3.45Å; A503-T506 PolarHBondContact O-N 3.11Å; L504-T506 PolarHBondContact O-N 3.45Å; T506-F509 WeakPolarHBondContact O-CB 3.17Å; T506-F509 PolarHBondContact O-N 3.26Å; T506-G510 PolarHBondContact O-N 2.88Å
507A98.8Very high98.3Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-63.9-45.4175.200000111.5S377 G381 L471 A503 L504 E505 G510 A511S377-A507 WeakPolarHBondContact O-CB 3.5Å; G381-A507 VanDerWaalsContact CA-CB 3.47Å; L471-A507 HydrophobicContact CD2-CB 3.97Å; A503-A507 PolarHBondContact O-N 2.74Å; L504-A507 WeakPolarHBondContact O-CB 3.49Å; L504-A507 PolarHBondContact O-N 2.8Å; E505-A507 VanDerWaalsContact C-N 3.27Å; E505-A507 PolarHBondContact O-N 3.39Å; A507-G510 PolarHBondContact O-N 3.07Å; A507-A511 WeakPolarHBondContact O-CB 3.23Å; A507-A511 PolarHBondContact O-N 2.68Å
508V98.8Very high98.2Very high1 Ų140 Ų401%0.00620%0.199CC..Hα-helixtrans-65.7-40.1174.7178.30000111.5A472 V475 W479 L504 E505 A511 Y512 L539 A542A472-V508 HydrophobicContact CB-CG1 4.23Å; V475-V508 HydrophobicContact CB-CG2 3.78Å; V475-V508 HydrophobicContact CG1-CG2 3.53Å; V475-V508 HydrophobicContact CG2-CG2 4.43Å; W479-V508 HydrophobicContact CZ2-CG2 4.28Å; L504-V508 WeakPolarHBondContact O-CG2 3.43Å; L504-V508 PolarHBondContact O-N 2.93Å; L504-V508 VanDerWaalsContact O-N 3.09Å; E505-V508 PolarHBondContact O-N 2.83Å; V508-A511 PolarHBondContact O-N 2.75Å; V508-Y512 WeakPolarHBondContact O-CB 3.19Å; V508-Y512 PolarHBondContact O-N 3.49Å; V508-L539 HydrophobicContact CG1-CB 4.39Å; V508-L539 HydrophobicContact CG1-CD1 4.25Å; V508-A542 HydrophobicContact CB-CB 4.07Å; V508-A542 HydrophobicContact CG1-CB 3.96Å; V508-A542 HydrophobicContact CG2-CB 4.21Å
509F98.8Very high98Very high101 Ų10137.9 Ų37.944%0.44319%0.189SC..Hα-helixtrans-57.3-49.7173.6175.3-84.9000111.1E505 T506 Y512 Y513 L539E505-F509 WeakPolarHBondContact O-CB 3.43Å; E505-F509 PolarHBondContact O-N 3Å; T506-F509 WeakPolarHBondContact O-CB 3.17Å; T506-F509 PolarHBondContact O-N 3.26Å; F509-Y512 WeakPolarHBondContact O-CB 3.28Å; F509-Y512 PolarHBondContact O-N 2.86Å; F509-Y513 AromaticContact CD1-CD2 3.98Å; F509-Y513 HydrophobicContact CD1-CD2 3.98Å; F509-Y513 HydrophobicContact CD1-CE2 4.07Å; F509-Y513 HydrophobicContact CD2-CD2 4.43Å; F509-Y513 AromaticContact CD2-CE2 3.79Å; F509-Y513 HydrophobicContact CD2-CE2 3.79Å; F509-Y513 AromaticContact CE1-CD2 3.72Å; F509-Y513 HydrophobicContact CE1-CD2 3.72Å; F509-Y513 AromaticContact CE1-CE2 3.63Å; F509-Y513 HydrophobicContact CE1-CE2 3.63Å; F509-Y513 HydrophobicContact CE2-CD2 4.24Å; F509-Y513 AromaticContact CE2-CE2 3.36Å; F509-Y513 HydrophobicContact CE2-CE2 3.36Å; F509-Y513 HydrophobicContact CG-CD2 4.32Å; F509-Y513 HydrophobicContact CG-CE2 4.13Å; F509-Y513 AromaticContact CZ-CD2 3.86Å; F509-Y513 HydrophobicContact CZ-CD2 3.86Å; F509-Y513 AromaticContact CZ-CE2 3.25Å; F509-Y513 HydrophobicContact CZ-CE2 3.25Å; F509-Y513 WeakPolarHBondContact O-CD2 3.31Å; F509-Y513 PolarHBondContact O-N 3.17Å; F509-L539 HydrophobicContact CB-CD1 4.31Å
510G98.5Very high97.8Very high11 Ų1140.7 Ų40.711%0.11320%0.195CC..Hα-helixtrans-63.8-43.5177.800000112.4S377 T506 A507 Y512 Y513 N514S377-G510 VanDerWaalsContact OG-CA 3.25Å; S377-G510 WeakPolarHBondContact OG-CA 3.49Å; T506-G510 PolarHBondContact O-N 2.88Å; A507-G510 PolarHBondContact O-N 3.07Å; G510-Y512 VanDerWaalsContact C-N 3.34Å; G510-Y512 PolarHBondContact O-N 2.8Å; G510-Y513 PolarHBondContact O-N 2.95Å; G510-N514 PolarHBondContact O-N 3.23Å; G510-N514 PolarHBondContact O-ND2 3.4Å
511A98.3Very high97.5Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-56.2-4617300000112.4P468 L471 A472 A507 V508 Y513 N514 V515P468-A511 HydrophobicContact CB-CB 4.05Å; P468-A511 WeakPolarHBondContact O-CB 3.48Å; L471-A511 HydrophobicContact CB-CB 4.44Å; L471-A511 HydrophobicContact CD2-CB 3.94Å; A472-A511 HydrophobicContact CB-CB 4.11Å; A507-A511 WeakPolarHBondContact O-CB 3.23Å; A507-A511 PolarHBondContact O-N 2.68Å; V508-A511 PolarHBondContact O-N 2.75Å; A511-Y513 PolarHBondContact O-N 3Å; A511-N514 PolarHBondContact O-N 2.84Å; A511-V515 WeakPolarHBondContact O-CG2 3.38Å; A511-V515 PolarHBondContact O-N 2.75Å
512Y98.7Very high97.4Very high44 Ų4445.2 Ų45.217%0.17322%0.219CC..Hα-helixtrans-53.9-51.6176.9174-90.3000111.9V508 F509 G510 N514 V515 M516 V535 L539V508-Y512 WeakPolarHBondContact O-CB 3.19Å; V508-Y512 PolarHBondContact O-N 3.49Å; F509-Y512 WeakPolarHBondContact O-CB 3.28Å; F509-Y512 PolarHBondContact O-N 2.86Å; G510-Y512 VanDerWaalsContact C-N 3.34Å; G510-Y512 PolarHBondContact O-N 2.8Å; Y512-N514 PolarHBondContact O-N 3.16Å; Y512-V515 PolarHBondContact O-N 2.76Å; Y512-M516 HydrophobicContact CD1-CG 4.12Å; Y512-M516 HydrophobicContact CD2-CG 4.31Å; Y512-M516 HydrophobicContact CE1-CG 3.75Å; Y512-M516 HydrophobicContact CE2-CG 3.95Å; Y512-M516 HydrophobicContact CE2-SD 4.32Å; Y512-M516 HydrophobicContact CG-CG 4.38Å; Y512-M516 WeakPolarHBondContact O-CB 3.45Å; Y512-M516 WeakPolarHBondContact O-CG 3.46Å; Y512-M516 PolarHBondContact O-N 2.76Å; Y512-V535 HydrophobicContact CD2-CB 4.4Å; Y512-V535 HydrophobicContact CD2-CG1 3.79Å; Y512-V535 HydrophobicContact CD2-CG2 4.05Å; Y512-V535 HydrophobicContact CE2-CG1 4.06Å; Y512-L539 HydrophobicContact CD1-CD2 3.9Å; Y512-L539 HydrophobicContact CD2-CB 4.14Å; Y512-L539 HydrophobicContact CD2-CD2 3.78Å; Y512-L539 HydrophobicContact CE1-CD2 4.26Å; Y512-L539 HydrophobicContact CE2-CD2 4.16Å; Y512-L539 HydrophobicContact CG-CB 4.49Å; Y512-L539 HydrophobicContact CG-CD2 3.65Å
513Y98.4Very high97.2Very high127 Ų12744.7 Ų44.750%0.49823%0.227SC..Hα-helixtrans-68.9-33.8-178.6-73.5-74.8000113F509 G510 A511 M516 I517F509-Y513 AromaticContact CD1-CD2 3.98Å; F509-Y513 HydrophobicContact CD1-CD2 3.98Å; F509-Y513 HydrophobicContact CD1-CE2 4.07Å; F509-Y513 HydrophobicContact CD2-CD2 4.43Å; F509-Y513 AromaticContact CD2-CE2 3.79Å; F509-Y513 HydrophobicContact CD2-CE2 3.79Å; F509-Y513 AromaticContact CE1-CD2 3.72Å; F509-Y513 HydrophobicContact CE1-CD2 3.72Å; F509-Y513 AromaticContact CE1-CE2 3.63Å; F509-Y513 HydrophobicContact CE1-CE2 3.63Å; F509-Y513 HydrophobicContact CE2-CD2 4.24Å; F509-Y513 AromaticContact CE2-CE2 3.36Å; F509-Y513 HydrophobicContact CE2-CE2 3.36Å; F509-Y513 HydrophobicContact CG-CD2 4.32Å; F509-Y513 HydrophobicContact CG-CE2 4.13Å; F509-Y513 AromaticContact CZ-CD2 3.86Å; F509-Y513 HydrophobicContact CZ-CD2 3.86Å; F509-Y513 AromaticContact CZ-CE2 3.25Å; F509-Y513 HydrophobicContact CZ-CE2 3.25Å; F509-Y513 WeakPolarHBondContact O-CD2 3.31Å; F509-Y513 PolarHBondContact O-N 3.17Å; G510-Y513 PolarHBondContact O-N 2.95Å; A511-Y513 PolarHBondContact O-N 3Å; Y513-M516 PolarHBondContact O-N 2.99Å; Y513-I517 WeakPolarHBondContact O-CG2 3.36Å; Y513-I517 PolarHBondContact O-N 3.41Å
514N97.3Very high97Very high32 Ų3246.7 Ų46.717%0.17124%0.236CC..Hα-helixtrans-68.9-35.5174.6-76.2-77.9000112.3G374 P468 G510 A511 Y512 I517 N518G374-N514 PolarHBondContact N-ND2 2.87Å; G374-N514 PolarHBondContact N-OD1 3.26Å; P468-N514 HydrophobicContact CB-CB 4.01Å; P468-N514 HydrophobicContact CG-CB 4.09Å; G510-N514 PolarHBondContact O-N 3.23Å; G510-N514 PolarHBondContact O-ND2 3.4Å; A511-N514 PolarHBondContact O-N 2.84Å; Y512-N514 PolarHBondContact O-N 3.16Å; N514-I517 WeakPolarHBondContact O-CG2 3.26Å; N514-N518 PolarHBondContact O-ND2 3.24Å
515V97.8Very high96.8Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-64.3-52.4170167.20000110V465 P468 L469 A511 Y512 I517 N518 L519 T531 V535V465-V515 HydrophobicContact CG1-CG1 4.15Å; P468-V515 HydrophobicContact CB-CG2 3.94Å; P468-V515 HydrophobicContact CG-CG2 3.73Å; L469-V515 HydrophobicContact CB-CG2 4.2Å; A511-V515 WeakPolarHBondContact O-CG2 3.38Å; A511-V515 PolarHBondContact O-N 2.75Å; Y512-V515 PolarHBondContact O-N 2.76Å; V515-I517 VanDerWaalsContact C-N 3.32Å; V515-I517 PolarHBondContact O-N 2.89Å; V515-N518 PolarHBondContact O-N 2.96Å; V515-L519 HydrophobicContact CG1-CD1 3.46Å; V515-L519 VanDerWaalsContact CG1-CD1 3.46Å; V515-L519 HydrophobicContact CG1-CG 3.86Å; V515-L519 WeakPolarHBondContact O-CB 3.45Å; V515-L519 VanDerWaalsContact O-CG 3.27Å; V515-L519 WeakPolarHBondContact O-CG 3.19Å; V515-L519 PolarHBondContact O-N 3.27Å; V515-T531 HydrophobicContact CG1-CG2 3.82Å; V515-V535 HydrophobicContact CB-CG1 4.41Å; V515-V535 HydrophobicContact CB-CG2 4.16Å; V515-V535 HydrophobicContact CG1-CB 4.18Å; V515-V535 HydrophobicContact CG1-CG1 3.81Å; V515-V535 HydrophobicContact CG1-CG2 4.3Å; V515-V535 HydrophobicContact CG2-CG2 4.08Å
516M97.9Very high96.7Very high38 Ų3854.8 Ų54.819%0.18729%0.286CS..Hα-helixtrans-64.5-31.3-173.8-70.4-57.5-6500113.8Y512 Y513 L519 Q532 V535Y512-M516 HydrophobicContact CD1-CG 4.12Å; Y512-M516 HydrophobicContact CD2-CG 4.31Å; Y512-M516 HydrophobicContact CE1-CG 3.75Å; Y512-M516 HydrophobicContact CE2-CG 3.95Å; Y512-M516 HydrophobicContact CE2-SD 4.32Å; Y512-M516 HydrophobicContact CG-CG 4.38Å; Y512-M516 WeakPolarHBondContact O-CB 3.45Å; Y512-M516 WeakPolarHBondContact O-CG 3.46Å; Y512-M516 PolarHBondContact O-N 2.76Å; Y513-M516 PolarHBondContact O-N 2.99Å; M516-L519 HydrophobicContact SD-CD1 4.28Å; M516-Q532 HydrophobicContact CE-CG 4.1Å; M516-Q532 HydrophobicContact SD-CG 3.92Å; M516-V535 HydrophobicContact SD-CG1 4.34Å
517I95.4Very high96.5Very high91 Ų9153.6 Ų53.647%0.46728%0.275SS..Hα-helixtrans-71.3-44.9176.8-168.862.8000111.5Y513 N514 V515 K520Y513-I517 WeakPolarHBondContact O-CG2 3.36Å; Y513-I517 PolarHBondContact O-N 3.41Å; N514-I517 WeakPolarHBondContact O-CG2 3.26Å; V515-I517 VanDerWaalsContact C-N 3.32Å; V515-I517 PolarHBondContact O-N 2.89Å; I517-K520 HydrophobicContact CD1-CD 4.44Å
518N94.6Very high96.4Very high34 Ų3457.9 Ų57.918%0.18229%0.291CS..Hα-helixtrans-75.2-31.9-178.7-72-68.8000112.8V465 N514 V515 K520 D521V465-N518 HydrophobicContact CG2-CB 3.56Å; N514-N518 PolarHBondContact O-ND2 3.24Å; V515-N518 PolarHBondContact O-N 2.96Å; N518-K520 PolarHBondContact O-N 3.49Å; N518-K520 VanDerWaalsContact O-N 3.12Å; N518-D521 PolarHBondContact O-N 2.97Å
519L94.6Very high96.3Very high8 Ų862.4 Ų62.44%0.04232%0.315CS..G310 helixtrans-59.8-23.4178.3-83.8-179.1000113.7V465 V515 M516 D521 V522 F527 R528 T531 Q532V465-L519 HydrophobicContact CG1-CD2 3.9Å; V465-L519 HydrophobicContact CG1-CG 4.22Å; V465-L519 HydrophobicContact CG2-CD2 4.06Å; V465-L519 HydrophobicContact CG2-CG 4.13Å; V515-L519 HydrophobicContact CG1-CD1 3.46Å; V515-L519 VanDerWaalsContact CG1-CD1 3.46Å; V515-L519 HydrophobicContact CG1-CG 3.86Å; V515-L519 WeakPolarHBondContact O-CB 3.45Å; V515-L519 VanDerWaalsContact O-CG 3.27Å; V515-L519 WeakPolarHBondContact O-CG 3.19Å; V515-L519 PolarHBondContact O-N 3.27Å; M516-L519 HydrophobicContact SD-CD1 4.28Å; L519-D521 PolarHBondContact O-N 3.15Å; L519-V522 PolarHBondContact O-N 3.45Å; L519-F527 HydrophobicContact CD2-CD1 4.4Å; L519-F527 HydrophobicContact CD2-CE1 4.19Å; L519-R528 HydrophobicContact CD2-CB 4.48Å; L519-R528 HydrophobicContact CD2-CG 4Å; L519-R528 VanDerWaalsContact O-CD 3.23Å; L519-R528 WeakPolarHBondContact O-CD 3.4Å; L519-R528 PolarHBondContact O-NE 3.49Å; L519-T531 HydrophobicContact CD1-CG2 4.12Å; L519-T531 HydrophobicContact CD2-CG2 4.17Å; L519-Q532 HydrophobicContact CD1-CB 4.15Å
520K94.1Very high96.3Very high142 Ų14260.6 Ų60.662%0.61732%0.318SS*.G310 helixtrans-63-31179.4-66.6174-174.4175.70112.5I517 N518I517-K520 HydrophobicContact CD1-CD 4.44Å; N518-K520 PolarHBondContact O-N 3.49Å; N518-K520 VanDerWaalsContact O-N 3.12Å
521D93.4Very high96.2Very high94 Ų9460.4 Ų60.450%0.50332%0.315SS..G310 helixtrans-98.2-2.2-173.8-59.6-45.2000112.9Q458 L461 N518 L519Q458-D521 PolarHBondContact NE2-O 3.35Å; L461-D521 HydrophobicContact CD1-CB 3.68Å; L461-D521 VanDerWaalsContact CD1-O 3.28Å; L461-D521 WeakPolarHBondContact CD1-O 3.2Å; L461-D521 HydrophobicContact CD2-CB 4.13Å; N518-D521 PolarHBondContact O-N 2.97Å; L519-D521 PolarHBondContact O-N 3.15Å
522V95.2Very high96.2Very high2 Ų264.2 Ų64.21%0.01233%0.333CS..  trans-78.7131.6174.4178.80000109.9L461 V465 L519 D524 F527 R528L461-V522 HydrophobicContact CB-CG2 3.93Å; V465-V522 HydrophobicContact CG2-CG2 4.47Å; L519-V522 PolarHBondContact O-N 3.45Å; V522-D524 HydrophobicContact CG1-CB 4.04Å; V522-F527 HydrophobicContact CG1-CD1 4.01Å; V522-R528 HydrophobicContact CB-CG 3.81Å; V522-R528 HydrophobicContact CG1-CG 3.94Å; V522-R528 WeakPolarHBondContact O-CD 3.41Å; V522-R528 PolarHBondContact O-NH1 3.03Å
523S94.2Very high96.2Very high85 Ų8570.8 Ų70.859%0.59436%0.357SS*.  trans-85.8-25.7179.958.20000113.5Q458 E525Q458-S523 PolarHBondContact OE1-OG 3.47Å; S523-E525 PolarHBondContact O-N 3.03Å; S523-E525 VanDerWaalsContact O-N 3.08Å
524D95.3Very high96.2Very high58 Ų5868.8 Ų68.831%0.3135%0.349SS..  trans-69.999178.9-174.4-21.7000111.4K462 V522 A526 F527 R528K462-D524 IonicContact NZ-OD2 3.53Å; K462-D524 PolarHBondContact NZ-OD2 3.04Å; V522-D524 HydrophobicContact CG1-CB 4.04Å; D524-A526 PolarHBondContact O-N 3.3Å; D524-A526 PolarHBondContact OD1-N 2.82Å; D524-F527 HydrophobicContact CB-CB 3.92Å; D524-F527 VanDerWaalsContact CG-CB 3.4Å; D524-F527 PolarHBondContact O-N 2.92Å; D524-F527 WeakPolarHBondContact OD1-CB 3.26Å; D524-F527 PolarHBondContact OD1-N 3.37Å; D524-R528 WeakPolarHBondContact O-CB 3.41Å; D524-R528 WeakPolarHBondContact O-CG 3.18Å; D524-R528 PolarHBondContact O-N 3.24Å
525E95.5Very high96.2Very high132 Ų13267.2 Ų67.262%0.61734%0.341SS*.Hα-helixtrans-65.1-38.8-175.6-172.9175.1-17000112.9S523 R528 L529S523-E525 PolarHBondContact O-N 3.03Å; S523-E525 VanDerWaalsContact O-N 3.08Å; E525-R528 PolarHBondContact O-N 2.82Å; E525-L529 HydrophobicContact CG-CD1 4Å; E525-L529 HydrophobicContact CG-CG 4.36Å; E525-L529 WeakPolarHBondContact O-CG 3.46Å; E525-L529 PolarHBondContact O-N 3.14Å
526A96.1Very high96.3Very high74 Ų7469.3 Ų69.361%0.61236%0.355SS*.Hα-helixtrans-64.7-46.8179.100000110.7D524 R528 A530D524-A526 PolarHBondContact O-N 3.3Å; D524-A526 PolarHBondContact OD1-N 2.82Å; A526-R528 VanDerWaalsContact C-N 3.32Å; A526-R528 PolarHBondContact O-N 2.99Å; A526-A530 WeakPolarHBondContact O-CB 3.45Å; A526-A530 PolarHBondContact O-N 3.29Å; A526-A530 VanDerWaalsContact O-N 3.12Å
527F95.4Very high96.3Very high51 Ų5172.1 Ų72.122%0.22437%0.368CS..Hα-helixtrans-59.5-43.2173.9178.9-93.5000111.7K462 V465 L519 V522 D524 T531K462-F527 HydrophobicContact CB-CZ 4.48Å; K462-F527 HydrophobicContact CG-CD1 4.39Å; K462-F527 HydrophobicContact CG-CE1 4.09Å; K462-F527 HydrophobicContact CG-CZ 4.26Å; V465-F527 HydrophobicContact CB-CE1 4.41Å; V465-F527 HydrophobicContact CG1-CE1 4.01Å; V465-F527 HydrophobicContact CG1-CZ 4.14Å; L519-F527 HydrophobicContact CD2-CD1 4.4Å; L519-F527 HydrophobicContact CD2-CE1 4.19Å; V522-F527 HydrophobicContact CG1-CD1 4.01Å; D524-F527 HydrophobicContact CB-CB 3.92Å; D524-F527 VanDerWaalsContact CG-CB 3.4Å; D524-F527 PolarHBondContact O-N 2.92Å; D524-F527 WeakPolarHBondContact OD1-CB 3.26Å; D524-F527 PolarHBondContact OD1-N 3.37Å; F527-T531 VanDerWaalsContact O-CB 3.27Å; F527-T531 WeakPolarHBondContact O-CB 3.37Å; F527-T531 PolarHBondContact O-N 3.16Å; F527-T531 PolarHBondContact O-OG1 3.46Å
528R96.6Very high96.5Very high90 Ų9067.9 Ų67.934%0.3435%0.346SS..Hα-helixtrans-61.9-51.9179.9-82.1177.847.6-162.4-4.8113.1L519 V522 D524 E525 A526 T531 Q532L519-R528 HydrophobicContact CD2-CB 4.48Å; L519-R528 HydrophobicContact CD2-CG 4Å; L519-R528 VanDerWaalsContact O-CD 3.23Å; L519-R528 WeakPolarHBondContact O-CD 3.4Å; L519-R528 PolarHBondContact O-NE 3.49Å; V522-R528 HydrophobicContact CB-CG 3.81Å; V522-R528 HydrophobicContact CG1-CG 3.94Å; V522-R528 WeakPolarHBondContact O-CD 3.41Å; V522-R528 PolarHBondContact O-NH1 3.03Å; D524-R528 WeakPolarHBondContact O-CB 3.41Å; D524-R528 WeakPolarHBondContact O-CG 3.18Å; D524-R528 PolarHBondContact O-N 3.24Å; E525-R528 PolarHBondContact O-N 2.82Å; A526-R528 VanDerWaalsContact C-N 3.32Å; A526-R528 PolarHBondContact O-N 2.99Å; R528-T531 PolarHBondContact O-N 3.09Å; R528-Q532 VanDerWaalsContact O-CB 3.25Å; R528-Q532 WeakPolarHBondContact O-CB 3.37Å; R528-Q532 PolarHBondContact O-N 3.49Å
529L96.4Very high96.7Very high97 Ų9767 Ų6751%0.50834%0.341SS..Hα-helixtrans-64.4-42.2-177.5-70.4173.6000111.3E525 R533E525-L529 HydrophobicContact CG-CD1 4Å; E525-L529 HydrophobicContact CG-CG 4.36Å; E525-L529 WeakPolarHBondContact O-CG 3.46Å; E525-L529 PolarHBondContact O-N 3.14Å; L529-R533 WeakPolarHBondContact O-CB 3.31Å; L529-R533 PolarHBondContact O-N 2.89Å
530A97.4Very high96.9Very high62 Ų6270.9 Ų70.951%0.51236%0.359SS..Hα-helixtrans-61.5-48.2176.400000111.4A526 R533 R534A526-A530 WeakPolarHBondContact O-CB 3.45Å; A526-A530 PolarHBondContact O-N 3.29Å; A526-A530 VanDerWaalsContact O-N 3.12Å; A530-R533 PolarHBondContact O-N 3.09Å; A530-R534 WeakPolarHBondContact O-CB 3.47Å; A530-R534 PolarHBondContact O-N 3.22Å
531T97.8Very high97.1Very high8 Ų867.8 Ų67.85%0.04935%0.347CS..Hα-helixtrans-67.7-41.6-178.4-54.80000112.1V465 L469 V515 L519 F527 R528 R533 R534 V535V465-T531 HydrophobicContact CG1-CG2 3.63Å; L469-T531 HydrophobicContact CD1-CG2 4.43Å; L469-T531 HydrophobicContact CD2-CG2 3.93Å; V515-T531 HydrophobicContact CG1-CG2 3.82Å; L519-T531 HydrophobicContact CD1-CG2 4.12Å; L519-T531 HydrophobicContact CD2-CG2 4.17Å; F527-T531 VanDerWaalsContact O-CB 3.27Å; F527-T531 WeakPolarHBondContact O-CB 3.37Å; F527-T531 PolarHBondContact O-N 3.16Å; F527-T531 PolarHBondContact O-OG1 3.46Å; R528-T531 PolarHBondContact O-N 3.09Å; T531-R533 PolarHBondContact O-N 2.95Å; T531-R534 PolarHBondContact O-N 2.95Å; T531-V535 WeakPolarHBondContact O-CG1 3.31Å; T531-V535 PolarHBondContact O-N 2.91Å
532Q98Very high97.3Very high79 Ų7963.3 Ų63.337%0.36932%0.323SS..Hα-helixtrans-61.3-44.3176.7179.9176.95.200111.8M516 L519 R528 S536M516-Q532 HydrophobicContact CE-CG 4.1Å; M516-Q532 HydrophobicContact SD-CG 3.92Å; L519-Q532 HydrophobicContact CD1-CB 4.15Å; R528-Q532 VanDerWaalsContact O-CB 3.25Å; R528-Q532 WeakPolarHBondContact O-CB 3.37Å; R528-Q532 PolarHBondContact O-N 3.49Å; Q532-S536 WeakPolarHBondContact O-CB 3.33Å; Q532-S536 PolarHBondContact O-N 2.91Å; Q532-S536 PolarHBondContact O-OG 3.06Å
533R98.2Very high97.5Very high182 Ų18267.5 Ų67.569%0.68734%0.341SS*.Hα-helixtrans-61.1-52.2175.7178179.2-73170.7-2.9110.1L529 A530 T531 V535 S536 E537L529-R533 WeakPolarHBondContact O-CB 3.31Å; L529-R533 PolarHBondContact O-N 2.89Å; A530-R533 PolarHBondContact O-N 3.09Å; T531-R533 PolarHBondContact O-N 2.95Å; R533-V535 PolarHBondContact O-N 3.41Å; R533-S536 PolarHBondContact O-N 2.83Å; R533-E537 HydrophobicContact CG-CG 4.47Å; R533-E537 VanDerWaalsContact CG-OE1 3.24Å; R533-E537 WeakPolarHBondContact CG-OE1 3.36Å; R533-E537 WeakPolarHBondContact O-CG 3.29Å; R533-E537 PolarHBondContact O-N 3.43Å
534R98.3Very high97.7Very high85 Ų8568 Ų6832%0.32134%0.337SS..Hα-helixtrans-57.6-49.2-176.9-178.859.2-179.7147.84.5112.4L469 E473 A530 T531 S536 E537 L538L469-R534 HydrophobicContact CD1-CG 4.01Å; E473-R534 IonicContact OE1-CZ 3.92Å; E473-R534 IonicContact OE1-NE 2.76Å; E473-R534 PolarHBondContact OE1-NE 3.29Å; E473-R534 VanDerWaalsContact OE1-NE 3.11Å; E473-R534 IonicContact OE1-NH2 3.17Å; A530-R534 WeakPolarHBondContact O-CB 3.47Å; A530-R534 PolarHBondContact O-N 3.22Å; T531-R534 PolarHBondContact O-N 2.95Å; R534-S536 VanDerWaalsContact C-N 3.29Å; R534-S536 PolarHBondContact O-N 3.4Å; R534-E537 PolarHBondContact O-N 3.22Å; R534-L538 HydrophobicContact CG-CD1 4.11Å; R534-L538 VanDerWaalsContact O-CG 3.31Å; R534-L538 WeakPolarHBondContact O-CG 3.48Å; R534-L538 PolarHBondContact O-N 3.41Å
535V98.4Very high97.9Very high0 Ų066.4 Ų66.40%033%0.331CS..Hα-helixtrans-68.2-30-178.577.90000112.5L469 Y512 V515 M516 T531 R533 L539L469-V535 HydrophobicContact CD1-CB 4.25Å; Y512-V535 HydrophobicContact CD2-CB 4.4Å; Y512-V535 HydrophobicContact CD2-CG1 3.79Å; Y512-V535 HydrophobicContact CD2-CG2 4.05Å; Y512-V535 HydrophobicContact CE2-CG1 4.06Å; V515-V535 HydrophobicContact CB-CG1 4.41Å; V515-V535 HydrophobicContact CB-CG2 4.16Å; V515-V535 HydrophobicContact CG1-CB 4.18Å; V515-V535 HydrophobicContact CG1-CG1 3.81Å; V515-V535 HydrophobicContact CG1-CG2 4.3Å; V515-V535 HydrophobicContact CG2-CG2 4.08Å; M516-V535 HydrophobicContact SD-CG1 4.34Å; T531-V535 WeakPolarHBondContact O-CG1 3.31Å; T531-V535 PolarHBondContact O-N 2.91Å; R533-V535 PolarHBondContact O-N 3.41Å; V535-L539 PolarHBondContact O-N 3.2Å
536S98.5Very high98Very high43 Ų4360.2 Ų60.230%0.30130%0.301SS..Hα-helixtrans-70.2-41.3175.2-57.20000111.8Q532 R533 R534 L539 Q540Q532-S536 WeakPolarHBondContact O-CB 3.33Å; Q532-S536 PolarHBondContact O-N 2.91Å; Q532-S536 PolarHBondContact O-OG 3.06Å; R533-S536 PolarHBondContact O-N 2.83Å; R534-S536 VanDerWaalsContact C-N 3.29Å; R534-S536 PolarHBondContact O-N 3.4Å; S536-L539 PolarHBondContact O-N 2.75Å; S536-Q540 PolarHBondContact O-N 3.32Å
537E98.7Very high98.1Very high98 Ų9859.6 Ų59.646%0.45830%0.296SS..Hα-helixtrans-60.4-46.5173.4-71.6167.8-178.600111R533 R534 L539 Q540 E541R533-E537 HydrophobicContact CG-CG 4.47Å; R533-E537 VanDerWaalsContact CG-OE1 3.24Å; R533-E537 WeakPolarHBondContact CG-OE1 3.36Å; R533-E537 WeakPolarHBondContact O-CG 3.29Å; R533-E537 PolarHBondContact O-N 3.43Å; R534-E537 PolarHBondContact O-N 3.22Å; E537-L539 VanDerWaalsContact C-N 3.34Å; E537-L539 PolarHBondContact O-N 3.06Å; E537-Q540 PolarHBondContact O-N 3.03Å; E537-E541 WeakPolarHBondContact O-CB 3.38Å; E537-E541 PolarHBondContact O-N 3.02Å
538L98.8Very high98.3Very high2 Ų259.2 Ų59.21%0.0130%0.3CS..Hα-helixtrans-61.1-40.6177.9-71169.8000112.5L469 A472 E473 R534 A542L469-L538 HydrophobicContact CD1-CD1 4.2Å; A472-L538 HydrophobicContact CB-CB 4.3Å; A472-L538 HydrophobicContact CB-CD1 3.78Å; E473-L538 HydrophobicContact CG-CD1 3.59Å; R534-L538 HydrophobicContact CG-CD1 4.11Å; R534-L538 VanDerWaalsContact O-CG 3.31Å; R534-L538 WeakPolarHBondContact O-CG 3.48Å; R534-L538 PolarHBondContact O-N 3.41Å; L538-A542 WeakPolarHBondContact O-CB 3.39Å; L538-A542 PolarHBondContact O-N 3.14Å
539L98.8Very high98.3Very high15 Ų1555 Ų558%0.07929%0.285CS..Hα-helixtrans-66.1-39.6176.1179.762.6000112V508 F509 Y512 V535 S536 E537 K543V508-L539 HydrophobicContact CG1-CB 4.39Å; V508-L539 HydrophobicContact CG1-CD1 4.25Å; F509-L539 HydrophobicContact CB-CD1 4.31Å; Y512-L539 HydrophobicContact CD1-CD2 3.9Å; Y512-L539 HydrophobicContact CD2-CB 4.14Å; Y512-L539 HydrophobicContact CD2-CD2 3.78Å; Y512-L539 HydrophobicContact CE1-CD2 4.26Å; Y512-L539 HydrophobicContact CE2-CD2 4.16Å; Y512-L539 HydrophobicContact CG-CB 4.49Å; Y512-L539 HydrophobicContact CG-CD2 3.65Å; V535-L539 PolarHBondContact O-N 3.2Å; S536-L539 PolarHBondContact O-N 2.75Å; E537-L539 VanDerWaalsContact C-N 3.34Å; E537-L539 PolarHBondContact O-N 3.06Å; L539-K543 WeakPolarHBondContact O-CG 3.27Å; L539-K543 PolarHBondContact O-N 3.23Å
540Q98.7Very high98.4Very high90 Ų9052 Ų5242%0.42127%0.269SS..Hα-helixtrans-68.1-45.5177.6-173.655.346.900111S536 E537 A542 K543 D544S536-Q540 PolarHBondContact O-N 3.32Å; E537-Q540 PolarHBondContact O-N 3.03Å; Q540-A542 VanDerWaalsContact C-N 3.29Å; Q540-A542 PolarHBondContact O-N 3.03Å; Q540-K543 PolarHBondContact O-N 3.15Å; Q540-D544 VanDerWaalsContact NE2-CG 3.28Å; Q540-D544 PolarHBondContact NE2-OD1 3.29Å; Q540-D544 PolarHBondContact NE2-OD2 3.16Å; Q540-D544 PolarHBondContact O-N 3.5Å
541E98.7Very high98.4Very high76 Ų7653.2 Ų53.236%0.35527%0.266SS..Hα-helixtrans-55.6-43.2174-179.5-176.5-167.300111.8E537 D544 S545E537-E541 WeakPolarHBondContact O-CB 3.38Å; E537-E541 PolarHBondContact O-N 3.02Å; E541-D544 PolarHBondContact O-N 2.84Å; E541-S545 WeakPolarHBondContact O-CB 3.46Å; E541-S545 PolarHBondContact O-N 2.8Å; E541-S545 PolarHBondContact O-OG 3.23Å
542A98.8Very high98.4Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-59.7-46.7177.200000112.1W479 V508 L538 Q540 S545 V546W479-A542 HydrophobicContact CH2-CB 4.46Å; W479-A542 HydrophobicContact CZ2-CB 3.57Å; V508-A542 HydrophobicContact CB-CB 4.07Å; V508-A542 HydrophobicContact CG1-CB 3.96Å; V508-A542 HydrophobicContact CG2-CB 4.21Å; L538-A542 WeakPolarHBondContact O-CB 3.39Å; L538-A542 PolarHBondContact O-N 3.14Å; Q540-A542 VanDerWaalsContact C-N 3.29Å; Q540-A542 PolarHBondContact O-N 3.03Å; A542-S545 PolarHBondContact O-N 3.1Å; A542-V546 WeakPolarHBondContact O-CB 3.3Å; A542-V546 WeakPolarHBondContact O-CG2 3.43Å; A542-V546 PolarHBondContact O-N 2.95Å
543K98.7Very high98.3Very high90 Ų9049.8 Ų49.839%0.39125%0.252SS..Hα-helixtrans-60.8-48.6178.3-71.3169.2174.2174.20111.8L539 Q540 V546 A547L539-K543 WeakPolarHBondContact O-CG 3.27Å; L539-K543 PolarHBondContact O-N 3.23Å; Q540-K543 PolarHBondContact O-N 3.15Å; K543-V546 PolarHBondContact O-N 3.11Å; K543-A547 WeakPolarHBondContact O-CB 3.29Å; K543-A547 PolarHBondContact O-N 2.81Å
544D98.6Very high98.1Very high95 Ų9547.5 Ų47.551%0.50825%0.25SC..Hα-helixtrans-66.6-41.3-177.4-64.3-25.4000111.1Q540 E541 S548Q540-D544 VanDerWaalsContact NE2-CG 3.28Å; Q540-D544 PolarHBondContact NE2-OD1 3.29Å; Q540-D544 PolarHBondContact NE2-OD2 3.16Å; Q540-D544 PolarHBondContact O-N 3.5Å; E541-D544 PolarHBondContact O-N 2.84Å; D544-S548 PolarHBondContact O-N 3.1Å; D544-S548 VanDerWaalsContact O-N 3.09Å
545S98.6Very high97.8Very high26 Ų2648.8 Ų48.818%0.18226%0.263CS..Hα-helixtrans-63.9-45.9177.4-65.50000112E541 A542 S548 I549E541-S545 WeakPolarHBondContact O-CB 3.46Å; E541-S545 PolarHBondContact O-N 2.8Å; E541-S545 PolarHBondContact O-OG 3.23Å; A542-S545 PolarHBondContact O-N 3.1Å; S545-S548 PolarHBondContact O-N 2.65Å; S545-I549 WeakPolarHBondContact O-CB 3.41Å; S545-I549 WeakPolarHBondContact O-CD1 3.44Å; S545-I549 WeakPolarHBondContact O-CG1 3.45Å; S545-I549 PolarHBondContact O-N 2.84Å
546V98.6Very high97.4Very high1 Ų151.8 Ų51.81%0.00627%0.274CS..Hα-helixtrans-65.4-43-179.3170.70000111W479 A501 K502 E505 A542 K543 S548 I549 L550W479-V546 HydrophobicContact CH2-CG2 3.87Å; W479-V546 HydrophobicContact CZ3-CG2 3.84Å; A501-V546 HydrophobicContact CB-CG1 4.3Å; A501-V546 HydrophobicContact CB-CG2 4.43Å; K502-V546 HydrophobicContact CD-CG1 4.08Å; E505-V546 HydrophobicContact CB-CG2 3.78Å; E505-V546 HydrophobicContact CG-CG2 4.06Å; A542-V546 WeakPolarHBondContact O-CB 3.3Å; A542-V546 WeakPolarHBondContact O-CG2 3.43Å; A542-V546 PolarHBondContact O-N 2.95Å; K543-V546 PolarHBondContact O-N 3.11Å; V546-S548 VanDerWaalsContact C-N 3.3Å; V546-S548 PolarHBondContact O-N 2.95Å; V546-I549 PolarHBondContact O-N 3.33Å; V546-L550 HydrophobicContact CG1-CD1 3.83Å; V546-L550 HydrophobicContact CG1-CG 4.19Å; V546-L550 WeakPolarHBondContact O-CB 3.31Å; V546-L550 VanDerWaalsContact O-CG 3.3Å; V546-L550 WeakPolarHBondContact O-CG 3.48Å; V546-L550 PolarHBondContact O-N 3.27Å
547A98.4Very high96.3Very high61 Ų6158.4 Ų58.450%0.50431%0.313SS..Hα-helixtrans-56.3-46.4173.700000111.2K543 I549 D551K543-A547 WeakPolarHBondContact O-CB 3.29Å; K543-A547 PolarHBondContact O-N 2.81Å; A547-I549 PolarHBondContact O-N 2.9Å; A547-D551 PolarHBondContact O-N 3.25Å; A547-D551 WeakPolarHBondContact O-CB 3.3Å
548S98.3Very high96.2Very high43 Ų4356.5 Ų56.530%0.30131%0.306SS..Hα-helixtrans-65.9-36.4178.1-172.90000113.6K483 D544 S545 V546 A552K483-S548 PolarHBondContact NZ-OG 2.99Å; D544-S548 PolarHBondContact O-N 3.1Å; D544-S548 VanDerWaalsContact O-N 3.09Å; S545-S548 PolarHBondContact O-N 2.65Å; V546-S548 VanDerWaalsContact C-N 3.3Å; V546-S548 PolarHBondContact O-N 2.95Å; S548-A552 WeakPolarHBondContact O-CB 3.36Å; S548-A552 PolarHBondContact O-N 3.18Å; S548-A552 VanDerWaalsContact O-N 3.1Å
549I98.3Very high96.1Very high3 Ų359.3 Ų59.32%0.01532%0.322CS..Hα-helixtrans-71-42.8179.7-71.3163.8000110.7W479 L482 K483 V486 A501 S545 V546 A547 A552 A553W479-I549 HydrophobicContact CE3-CD1 4.06Å; L482-I549 HydrophobicContact CB-CD1 4.03Å; L482-I549 HydrophobicContact CD2-CD1 3.98Å; L482-I549 HydrophobicContact CG-CD1 4.03Å; L482-I549 HydrophobicContact CG-CG2 4.26Å; K483-I549 HydrophobicContact CB-CG1 3.85Å; K483-I549 HydrophobicContact CG-CG1 4.31Å; V486-I549 HydrophobicContact CG2-CG2 3.76Å; A501-I549 HydrophobicContact CB-CG2 4.05Å; S545-I549 WeakPolarHBondContact O-CB 3.41Å; S545-I549 WeakPolarHBondContact O-CD1 3.44Å; S545-I549 WeakPolarHBondContact O-CG1 3.45Å; S545-I549 PolarHBondContact O-N 2.84Å; V546-I549 PolarHBondContact O-N 3.33Å; A547-I549 PolarHBondContact O-N 2.9Å; I549-A552 PolarHBondContact O-N 3.36Å; I549-A553 PolarHBondContact O-N 3.07Å
550L98.1Very high95.9Very high33 Ų3361.8 Ų61.817%0.17334%0.335CS..Hα-helixtrans-67.9-41.7179.3-67.7179.8000111.7Q498 A501 K502 V546 A552 A553 E554Q498-L550 HydrophobicContact CB-CD2 3.75Å; Q498-L550 HydrophobicContact CG-CD2 3.7Å; A501-L550 HydrophobicContact CB-CD2 4.43Å; K502-L550 HydrophobicContact CD-CD1 4.49Å; K502-L550 HydrophobicContact CG-CD1 4.43Å; V546-L550 HydrophobicContact CG1-CD1 3.83Å; V546-L550 HydrophobicContact CG1-CG 4.19Å; V546-L550 WeakPolarHBondContact O-CB 3.31Å; V546-L550 VanDerWaalsContact O-CG 3.3Å; V546-L550 WeakPolarHBondContact O-CG 3.48Å; V546-L550 PolarHBondContact O-N 3.27Å; L550-A552 VanDerWaalsContact C-N 3.34Å; L550-A552 PolarHBondContact O-N 3.49Å; L550-A553 WeakPolarHBondContact O-CB 3.45Å; L550-A553 VanDerWaalsContact O-N 3.12Å; L550-A553 PolarHBondContact O-N 3.2Å; L550-E554 WeakPolarHBondContact O-CG 3.48Å; L550-E554 PolarHBondContact O-N 2.77Å
551D97.8Very high95.8Very high87 Ų8760.1 Ų60.147%0.46533%0.33SS..Hα-helixtrans-59-45172.2176.473.7000111.5A547 A553 E554 N555A547-D551 PolarHBondContact O-N 3.25Å; A547-D551 WeakPolarHBondContact O-CB 3.3Å; D551-A553 VanDerWaalsContact C-N 3.26Å; D551-A553 PolarHBondContact O-N 3.09Å; D551-E554 PolarHBondContact O-N 2.97Å; D551-N555 VanDerWaalsContact CG-ND2 3.27Å; D551-N555 WeakPolarHBondContact O-CB 3.1Å; D551-N555 PolarHBondContact O-N 3.35Å; D551-N555 PolarHBondContact O-ND2 3.15Å; D551-N555 PolarHBondContact OD1-ND2 2.88Å; D551-N555 PolarHBondContact OD2-ND2 3.02Å
552A96.9Very high95.6Very high15 Ų1559.1 Ų59.112%0.12433%0.329CS..Hα-helixtrans-61.6-34.2175.400000112.9V486 L487 S548 I549 L550 R556V486-A552 HydrophobicContact CG1-CB 4.19Å; L487-A552 HydrophobicContact CD2-CB 4.26Å; S548-A552 WeakPolarHBondContact O-CB 3.36Å; S548-A552 PolarHBondContact O-N 3.18Å; S548-A552 VanDerWaalsContact O-N 3.1Å; I549-A552 PolarHBondContact O-N 3.36Å; L550-A552 VanDerWaalsContact C-N 3.34Å; L550-A552 PolarHBondContact O-N 3.49Å; A552-R556 WeakPolarHBondContact O-CB 3.21Å; A552-R556 PolarHBondContact O-N 2.77Å
553A95.4Very high95.4Very high0 Ų063.1 Ų63.10%035%0.35CS..Hα-helixtrans-72-41.3176.600000112V486 K494 Q498 I549 L550 D551 R556V486-A553 HydrophobicContact CG1-CB 3.63Å; K494-A553 HydrophobicContact CD-CB 4.26Å; K494-A553 WeakPolarHBondContact CD-O 3.35Å; K494-A553 HydrophobicContact CG-CB 4.22Å; Q498-A553 HydrophobicContact CG-CB 3.98Å; I549-A553 PolarHBondContact O-N 3.07Å; L550-A553 WeakPolarHBondContact O-CB 3.45Å; L550-A553 VanDerWaalsContact O-N 3.12Å; L550-A553 PolarHBondContact O-N 3.2Å; D551-A553 VanDerWaalsContact C-N 3.26Å; D551-A553 PolarHBondContact O-N 3.09Å; A553-R556 PolarHBondContact O-N 3.4Å
554E94.1Very high95.1Very high134 Ų13461.1 Ų61.163%0.62635%0.348SS*.Hα-helixtrans-65.7-40.9178.8-75178.6-173.500111.9L550 D551 R556L550-E554 WeakPolarHBondContact O-CG 3.48Å; L550-E554 PolarHBondContact O-N 2.77Å; D551-E554 PolarHBondContact O-N 2.97Å; E554-R556 PolarHBondContact O-N 3.15Å
555N93.8Very high94.8Very high113 Ų11358.5 Ų58.560%0.60434%0.335SS*.THydrogen-bonded Turntrans-76.7-5.7179.1-67.2-41.9000113.7D551D551-N555 VanDerWaalsContact CG-ND2 3.27Å; D551-N555 WeakPolarHBondContact O-CB 3.1Å; D551-N555 PolarHBondContact O-N 3.35Å; D551-N555 PolarHBondContact O-ND2 3.15Å; D551-N555 PolarHBondContact OD1-ND2 2.88Å; D551-N555 PolarHBondContact OD2-ND2 3.02Å
556R89.9Confident94.5Very high62 Ų6261.3 Ų61.323%0.23435%0.348CS..  trans-91115.4177.7-171.1176.1-176.5-148.3-2.6110.8V486 L487 G489 I491 A552 A553 E554V486-R556 WeakPolarHBondContact O-CD 3.31Å; V486-R556 VanDerWaalsContact O-CZ 3.31Å; V486-R556 PolarHBondContact O-NE 3.41Å; V486-R556 PolarHBondContact O-NH1 3.3Å; L487-R556 PolarHBondContact O-NE 2.92Å; L487-R556 VanDerWaalsContact O-NE 3.13Å; L487-R556 PolarHBondContact O-NH2 3.24Å; G489-R556 PolarHBondContact O-NH1 3.09Å; G489-R556 PolarHBondContact O-NH2 3.4Å; I491-R556 HydrophobicContact CD1-CG 4.28Å; A552-R556 WeakPolarHBondContact O-CB 3.21Å; A552-R556 PolarHBondContact O-N 2.77Å; A553-R556 PolarHBondContact O-N 3.4Å; E554-R556 PolarHBondContact O-N 3.15Å
557T74.9Confident94.2Very high183 Ų18366.7 Ų66.7100%1.12338%0.379SS*.  trans-95.20-178.848.50000114.3I491I491-T557 WeakPolarHBondContact CD1-O 3.36Å; I491-T557 WeakPolarHBondContact CD1-OXT 3.33Å

Retrieved 557 of 557 residues in 1156.1 ms (Link to these results)

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