A0A087XJM3_POEFO Loading...

Poly [ADP-ribose] polymerase

AlphaFold DB , UniProt , Accession A0A087XJM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 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
1M38.9Very low36.9Very low252 Ų252164.2 Ų164.2100%1.24188%0.878SS**  0900-144.2173.8-16700106.6
2L32.4Very low37.1Very low177 Ų177158.3 Ų158.393%0.92787%0.87SS**  trans-111.7115-178.7-89.5155.1000106.5
3A34.8Very low37.4Very low102 Ų102160.4 Ų160.484%0.84387%0.869SS**PPolyproline II helixtrans-86.7125.7179.500000109.8
4I37.7Very low37.9Very low165 Ų165159.9 Ų159.985%0.84686%0.863SS**PPolyproline II helixtrans-79.5129.1177.1-64.3170.2000108.1
5R36.6Very low38.2Very low245 Ų245161.4 Ų161.493%0.92586%0.863SS**PPolyproline II helixtrans-80122.8167.5-80.4-178.9170-175.6-4.1108.8
6S35.7Very low38.6Very low105 Ų105163.2 Ų163.273%0.73486%0.864SS**PPolyproline II helixtrans-87.7133.7167.2-1780000109
7S35Very low38.8Very low103 Ų103163.2 Ų163.272%0.7286%0.861SS**PPolyproline II helixtrans-84.2121.8173.346.50000109.6E9S7-E9 PolarHBondContact O-N 2.6Å
8D37.2Very low39.1Very low158 Ų158161.3 Ų161.385%0.84585%0.852SS**  trans-78115.3171-69.5-34.3000109.2
9E39.1Very low39.4Very low188 Ų188159.1 Ų159.188%0.87985%0.845SS**  trans-81.7112.3166.3-76.6-178.215800108.5S7 S11S7-E9 PolarHBondContact O-N 2.6Å; E9-S11 PolarHBondContact O-N 3.02Å
10E39.8Very low40.2Very low204 Ų204155.2 Ų155.295%0.95383%0.831SS**  trans-78.5100.1174.3-138172.8-166.200108.6A12E10-A12 PolarHBondContact O-N 3.11Å
11S38.3Very low40.9Very low107 Ų107156.2 Ų156.275%0.74883%0.831SS**  trans-75.4105.4173.556.50000110E9 E13E9-S11 PolarHBondContact O-N 3.02Å; S11-E13 PolarHBondContact O-N 3.14Å
12A40.1Very low41.9Very low94 Ų94148 Ų14878%0.77780%0.796SS**  trans-69.1109.9170.100000109.8E10 I14E10-A12 PolarHBondContact O-N 3.11Å; A12-I14 PolarHBondContact O-N 3.07Å
13E40.8Very low43.8Very low185 Ų185144 Ų14486%0.86478%0.776SS**  trans-67.6114.1169.5-72.8-176.616400109.1S11 E15S11-E13 PolarHBondContact O-N 3.14Å; E13-E15 PolarHBondContact O-N 2.9Å
14I44.8Very low45.9Very low153 Ų153142.5 Ų142.579%0.78575%0.748SS**  trans-79.1106.5170.4-62.2172.7000106.4A12 E16A12-I14 PolarHBondContact O-N 3.07Å; I14-E16 PolarHBondContact O-N 3.12Å; I14-E16 VanDerWaalsContact O-N 3.12Å
15E41.6Very low48.2Very low183 Ų183134.9 Ų134.986%0.85571%0.709SS**  trans-63.7110169.3-71.1-173.8169.800109.1E13 M17E13-E15 PolarHBondContact O-N 2.9Å; E15-M17 PolarHBondContact O-N 3.16Å; E15-M17 VanDerWaalsContact O-N 3.09Å
16E45Very low50.7Low190 Ų190123.2 Ų123.289%0.88867%0.665SS**  trans-63.7109171.1-73.7-171.3163.400109.3I14 D18I14-E16 PolarHBondContact O-N 3.12Å; I14-E16 VanDerWaalsContact O-N 3.12Å; E16-D18 PolarHBondContact O-N 2.77Å
17M41.1Very low53.1Low163 Ų163119.1 Ų119.180%0.80363%0.634SS**  trans-69.6110.2176.8-161.117165.400109.1E15 T19E15-M17 PolarHBondContact O-N 3.16Å; E15-M17 VanDerWaalsContact O-N 3.09Å; M17-T19 PolarHBondContact O-N 2.8Å
18D45.6Very low55.4Low130 Ų130116.6 Ų116.670%0.69561%0.61SS**  trans-59.6107.5175.4-178.38000110.1E16 S20E16-D18 PolarHBondContact O-N 2.77Å; D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 VanDerWaalsContact CG-OG 3.26Å; D18-S20 WeakPolarHBondContact OD1-CB 3.39Å; D18-S20 PolarHBondContact OD1-N 2.9Å; D18-S20 PolarHBondContact OD1-OG 2.87Å; D18-S20 PolarHBondContact OD2-OG 2.99Å
19T43.9Very low57.2Low118 Ų118111.5 Ų111.572%0.72458%0.582SS**  trans-95.213.2177.652.10000112.2M17 E21M17-T19 PolarHBondContact O-N 2.8Å; T19-E21 PolarHBondContact O-N 3.4Å
20S54.9Low58.7Low81 Ų81103.3 Ų103.357%0.56655%0.547SS*.  trans-63.1121.3-179.763.40000110.8D18D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 VanDerWaalsContact CG-OG 3.26Å; D18-S20 WeakPolarHBondContact OD1-CB 3.39Å; D18-S20 PolarHBondContact OD1-N 2.9Å; D18-S20 PolarHBondContact OD1-OG 2.87Å; D18-S20 PolarHBondContact OD2-OG 2.99Å
21E55.2Low59.5Low177 Ų177101.6 Ų101.683%0.82754%0.539SS*.  trans-60.5140174.6-71.7-167.1163.700109.5T19 N23T19-E21 PolarHBondContact O-N 3.4Å; E21-N23 PolarHBondContact O-N 3.08Å
22P59.3Low60.1Low79 Ų79100.7 Ų100.751%0.51353%0.531SS..  trans-56.3113.7176.117.8-27.8000109.8W24 L98P22-W24 PolarHBondContact O-N 3.47Å; P22-W24 PolarHBondContact O-NE1 3.4Å; P22-L98 HydrophobicContact CB-CD2 3.26Å
23N72.4Confident60.5Low93 Ų9398.9 Ų98.950%0.49752%0.521SS..  trans-72.2116.8177.9-172.5-1.8000108.2E21 L98 H99E21-N23 PolarHBondContact O-N 3.08Å; N23-L98 CarbonylContact O-C 3.57Å; N23-L98 WeakPolarHBondContact O-CA 3.26Å; N23-H99 HydrophobicContact CB-CB 3.9Å; N23-H99 PolarHBondContact ND2-ND1 2.79Å; N23-H99 VanDerWaalsContact ND2-ND1 3.18Å; N23-H99 WeakPolarHBondContact O-CB 3.48Å; N23-H99 PolarHBondContact O-N 2.86Å
24W80.1Confident61Low72 Ų7292.9 Ų92.927%0.27350%0.497SS..EExtended strand (participates in β ladder)trans-104.3133.6-176.2-70.794.8000111.6P22 E54 R96 S97 L98P22-W24 PolarHBondContact O-N 3.47Å; P22-W24 PolarHBondContact O-NE1 3.4Å; W24-E54 VanDerWaalsContact CB-CD 3.49Å; W24-E54 HydrophobicContact CB-CG 4Å; W24-R96 HydrophobicContact CB-CG 4.44Å; W24-R96 HydrophobicContact CD2-CG 4.37Å; W24-R96 VanDerWaalsContact CD2-NH2 3.32Å; W24-R96 VanDerWaalsContact CE2-CZ 3.44Å; W24-R96 VanDerWaalsContact CE2-NH2 3.28Å; W24-R96 HydrophobicContact CE3-CG 3.75Å; W24-R96 VanDerWaalsContact CE3-NH1 3.32Å; W24-R96 VanDerWaalsContact CG-CZ 3.43Å; W24-R96 VanDerWaalsContact CZ2-NH1 3.32Å; W24-R96 HydrophobicContact CZ3-CG 4.39Å; W24-R96 VanDerWaalsContact NE1-NH2 3.12Å; W24-S97 VanDerWaalsContact CE3-C 3.41Å; W24-L98 HydrophobicContact CD2-CD2 3.76Å; W24-L98 HydrophobicContact CD2-CG 4.34Å; W24-L98 HydrophobicContact CE3-CD2 4.09Å; W24-L98 HydrophobicContact CE3-CG 4.15Å; W24-L98 HydrophobicContact CG-CD2 4.33Å; W24-L98 HydrophobicContact CH2-CD2 4.1Å; W24-L98 HydrophobicContact CH2-CG 4.02Å; W24-L98 HydrophobicContact CZ2-CD2 3.76Å; W24-L98 HydrophobicContact CZ2-CG 4.2Å; W24-L98 HydrophobicContact CZ3-CD2 4.26Å; W24-L98 HydrophobicContact CZ3-CG 4Å
25C85.6Confident62.1Low4 Ų488.8 Ų88.83%0.02747%0.472CS..EExtended strand (participates in β ladder)trans-113.6152.2177.2-83.50000114.1F27 M37 S50 R96 S97 H99C25-F27 HydrophobicContact CB-CE2 3.78Å; C25-F27 HydrophobicContact CB-CZ 4Å; C25-F27 WeakPolarHBondContact O-CE2 3.25Å; C25-M37 HydrophobicContact CB-CG 4.35Å; C25-M37 HydrophobicContact CB-SD 4.03Å; C25-S50 WeakPolarHBondContact CA-OG 3.48Å; C25-R96 CarbonylContact O-C 3.55Å; C25-R96 WeakPolarHBondContact O-CA 3.44Å; C25-S97 WeakPolarHBondContact CA-O 3.38Å; C25-S97 PolarHBondContact N-O 3.04Å; C25-S97 PolarHBondContact O-N 3.06Å; C25-H99 HydrophobicContact CB-CB 4.38Å; C25-H99 VanDerWaalsContact SG-CB 3.6Å; C25-H99 PolarHBondContact SG-CD2 2.79Å
26W88.3Confident63.4Low0 Ų083.9 Ų83.90%045%0.449CS..EExtended strand (participates in β ladder)trans-114144.2-178-75.481.1000112M37 F38 S50 I53 E54 Y57 F78 M81 I94 K95 R96W26-M37 WeakPolarHBondContact O-CA 3.41Å; W26-M37 WeakPolarHBondContact O-CG 3.49Å; W26-F38 HydrophobicContact CB-CD2 3.78Å; W26-F38 HydrophobicContact CB-CE2 4.44Å; W26-F38 WeakPolarHBondContact O-CD2 3.47Å; W26-F38 PolarHBondContact O-N 3.47Å; W26-S50 PolarHBondContact N-OG 3.38Å; W26-I53 HydrophobicContact CB-CB 4.22Å; W26-I53 HydrophobicContact CB-CD1 4.04Å; W26-I53 HydrophobicContact CB-CG2 4.1Å; W26-I53 HydrophobicContact CD2-CB 4.17Å; W26-I53 HydrophobicContact CD2-CG2 3.31Å; W26-I53 HydrophobicContact CE3-CG2 3.69Å; W26-I53 HydrophobicContact CG-CB 3.8Å; W26-I53 HydrophobicContact CG-CG2 3.48Å; W26-I53 VanDerWaalsContact CG-CG2 3.48Å; W26-I53 HydrophobicContact CZ2-CG2 4.3Å; W26-I53 HydrophobicContact CZ3-CG2 4.3Å; W26-E54 VanDerWaalsContact NE1-CA 3.29Å; W26-E54 PolarHBondContact NE1-OE2 3.07Å; W26-Y57 HydrophobicContact CH2-CD1 4.33Å; W26-Y57 AromaticContact CH2-CD2 3.44Å; W26-Y57 HydrophobicContact CH2-CD2 3.44Å; W26-Y57 VanDerWaalsContact CH2-CD2 3.44Å; W26-Y57 AromaticContact CH2-CE2 3.95Å; W26-Y57 HydrophobicContact CH2-CE2 3.95Å; W26-Y57 AromaticContact CH2-CG 3.66Å; W26-Y57 HydrophobicContact CH2-CG 3.66Å; W26-Y57 AromaticContact CZ2-CD1 3.81Å; W26-Y57 HydrophobicContact CZ2-CD1 3.81Å; W26-Y57 AromaticContact CZ2-CD2 3.68Å; W26-Y57 HydrophobicContact CZ2-CD2 3.68Å; W26-Y57 HydrophobicContact CZ2-CE1 4.49Å; W26-Y57 HydrophobicContact CZ2-CE2 4.38Å; W26-Y57 AromaticContact CZ2-CG 3.34Å; W26-Y57 HydrophobicContact CZ2-CG 3.34Å; W26-F78 AromaticContact CH2-CD1 3.83Å; W26-F78 HydrophobicContact CH2-CD1 3.83Å; W26-F78 AromaticContact CH2-CE1 3.95Å; W26-F78 HydrophobicContact CH2-CE1 3.95Å; W26-F78 AromaticContact CZ3-CD1 3.97Å; W26-F78 HydrophobicContact CZ3-CD1 3.97Å; W26-F78 AromaticContact CZ3-CE1 3.99Å; W26-F78 HydrophobicContact CZ3-CE1 3.99Å; W26-M81 HydrophobicContact CH2-CE 4.1Å; W26-M81 HydrophobicContact CH2-SD 4.37Å; W26-M81 HydrophobicContact CZ3-CE 3.75Å; W26-M81 HydrophobicContact CZ3-SD 4.26Å; W26-I94 HydrophobicContact CE3-CD1 4.32Å; W26-I94 HydrophobicContact CZ3-CD1 3.93Å; W26-I94 HydrophobicContact CZ3-CG1 4.47Å; W26-K95 WeakPolarHBondContact CA-O 3.03Å; W26-R96 HydrophobicContact CD2-CB 4.22Å; W26-R96 HydrophobicContact CE3-CB 4.36Å; W26-R96 HydrophobicContact CH2-CB 4.01Å; W26-R96 HydrophobicContact CZ2-CB 3.82Å; W26-R96 HydrophobicContact CZ2-CG 3.89Å; W26-R96 HydrophobicContact CZ3-CB 4.28Å
27F86.8Confident65.1Low19 Ų1978 Ų788%0.08342%0.422CS..EExtended strand (participates in β ladder)trans-137.6154-175.4-54.1-101.5000111.7C25 W35 H36 M37 I94 K95C25-F27 HydrophobicContact CB-CE2 3.78Å; C25-F27 HydrophobicContact CB-CZ 4Å; C25-F27 WeakPolarHBondContact O-CE2 3.25Å; F27-W35 HydrophobicContact CB-CB 4.46Å; F27-W35 HydrophobicContact CB-CE3 3.85Å; F27-H36 CarbonylContact C-O 3.51Å; F27-H36 WeakPolarHBondContact CA-O 3.44Å; F27-M37 HydrophobicContact CD1-CB 3.71Å; F27-M37 HydrophobicContact CD1-CG 3.96Å; F27-M37 HydrophobicContact CE1-CB 3.59Å; F27-M37 HydrophobicContact CE1-CG 3.59Å; F27-M37 HydrophobicContact CE1-SD 4.1Å; F27-M37 HydrophobicContact CZ-CB 4.4Å; F27-M37 HydrophobicContact CZ-CG 3.89Å; F27-M37 HydrophobicContact CZ-SD 4.09Å; F27-I94 CarbonylContact O-C 3.59Å; F27-I94 WeakPolarHBondContact O-CA 3.43Å; F27-I94 WeakPolarHBondContact O-CB 3.38Å; F27-K95 HydrophobicContact CB-CG 3.88Å; F27-K95 HydrophobicContact CD2-CG 4.27Å; F27-K95 HydrophobicContact CG-CG 4.42Å; F27-K95 PolarHBondContact N-O 3.28Å; F27-K95 PolarHBondContact O-N 3.13Å
28Y82.9Confident67.1Low51 Ų5170.5 Ų70.520%0.239%0.385CS..EExtended strand (participates in β ladder)trans-127.4146.1170.664.5-93.4000111.4A30 W35 H36 F38 R92 P93Y28-A30 HydrophobicContact CD2-CB 4.44Å; Y28-A30 HydrophobicContact CE2-CB 4.11Å; Y28-A30 PolarHBondContact O-N 2.99Å; Y28-W35 CarbonylContact O-C 3.53Å; Y28-W35 WeakPolarHBondContact O-CA 3.37Å; Y28-H36 HydrophobicContact CD1-CB 4.32Å; Y28-H36 WeakPolarHBondContact CD1-O 3.23Å; Y28-H36 HydrophobicContact CD2-CB 4.23Å; Y28-H36 HydrophobicContact CE1-CB 3.75Å; Y28-H36 HydrophobicContact CE2-CB 3.67Å; Y28-H36 VanDerWaalsContact CZ-CB 3.41Å; Y28-H36 PolarHBondContact N-O 2.88Å; Y28-H36 PolarHBondContact O-N 3.06Å; Y28-F38 HydrophobicContact CD1-CD1 4.37Å; Y28-F38 HydrophobicContact CD1-CD2 4.16Å; Y28-F38 AromaticContact CD1-CE1 3.99Å; Y28-F38 HydrophobicContact CD1-CE1 3.99Å; Y28-F38 AromaticContact CD1-CE2 3.76Å; Y28-F38 HydrophobicContact CD1-CE2 3.76Å; Y28-F38 HydrophobicContact CD1-CG 4.45Å; Y28-F38 AromaticContact CD1-CZ 3.67Å; Y28-F38 HydrophobicContact CD1-CZ 3.67Å; Y28-F38 HydrophobicContact CE1-CE1 4.45Å; Y28-F38 HydrophobicContact CG-CE2 4.44Å; Y28-F38 HydrophobicContact CG-CZ 4.33Å; Y28-R92 VanDerWaalsContact CE2-CZ 3.4Å; Y28-R92 VanDerWaalsContact CG-NH2 3.35Å; Y28-P93 WeakPolarHBondContact CA-O 3.46Å
29L75.9Confident68.7Low50 Ų5068 Ų6826%0.26237%0.37SS..EExtended strand (participates in β ladder)trans-82.5111.3176.5-174.865000110G33 W35 R92 P93L29-G33 WeakPolarHBondContact CD1-O 3.28Å; L29-W35 HydrophobicContact CB-CD2 4.18Å; L29-W35 HydrophobicContact CB-CE3 4.07Å; L29-W35 HydrophobicContact CB-CH2 4.09Å; L29-W35 HydrophobicContact CB-CZ2 4.16Å; L29-W35 HydrophobicContact CB-CZ3 4.02Å; L29-W35 HydrophobicContact CD1-CD2 4.19Å; L29-W35 HydrophobicContact CD1-CG 4.28Å; L29-R92 WeakPolarHBondContact O-CB 3.16Å; L29-R92 WeakPolarHBondContact O-CD 3.37Å; L29-P93 HydrophobicContact CB-CB 4.37Å; L29-P93 HydrophobicContact CB-CG 4.49Å; L29-P93 HydrophobicContact CD2-CG 4.14Å; L29-P93 PolarHBondContact N-O 2.82Å
30A71.1Confident70Confident17 Ų1766.2 Ų66.214%0.1436%0.355CS..  trans-77.7165.8-18000000112.5Y28 C32 G33 V34 H36Y28-A30 HydrophobicContact CD2-CB 4.44Å; Y28-A30 HydrophobicContact CE2-CB 4.11Å; Y28-A30 PolarHBondContact O-N 2.99Å; A30-C32 PolarHBondContact O-N 3.33Å; A30-C32 VanDerWaalsContact O-N 3.14Å; A30-G33 PolarHBondContact O-N 3.21Å; A30-V34 PolarHBondContact N-O 3.34Å; A30-H36 WeakPolarHBondContact CB-CD2 3.21Å
31E55.3Low70.7Confident168 Ų16868.1 Ų68.179%0.78536%0.358SS*.THydrogen-bonded Turntrans-62.4-20179.3-65.3-172.6156.900112.8G33 K90E31-G33 PolarHBondContact O-N 2.93Å; E31-K90 IonicContact OE1-NZ 2.84Å; E31-K90 PolarHBondContact OE1-NZ 2.85Å
32C52.3Low71.6Confident88 Ų8865 Ų6560%0.59535%0.354SS*.THydrogen-bonded Turntrans-74.2-2.917261.30000114A30 V34A30-C32 PolarHBondContact O-N 3.33Å; A30-C32 VanDerWaalsContact O-N 3.14Å; C32-V34 VanDerWaalsContact C-N 3.32Å
33G47.3Very low72.2Confident55 Ų5563.4 Ų63.457%0.56734%0.344SS*.SBendtrans80.38.8-177.300000114.5L29 A30 E31L29-G33 WeakPolarHBondContact CD1-O 3.28Å; A30-G33 PolarHBondContact O-N 3.21Å; E31-G33 PolarHBondContact O-N 2.93Å
34V51.5Low71.9Confident59 Ų5964.3 Ų64.336%0.35836%0.364SS..  trans-107144.9-179.9-175.80000110.5A30 C32 H36A30-V34 PolarHBondContact N-O 3.34Å; C32-V34 VanDerWaalsContact C-N 3.32Å; V34-H36 PolarHBondContact O-CD2 3.31Å
35W67.1Low71.6Confident68 Ų6863.6 Ų63.626%0.25837%0.374SS..EExtended strand (participates in β ladder)trans-78.6120.5172.5-71.795.5000110.4F27 Y28 L29 P93 K95 C117F27-W35 HydrophobicContact CB-CB 4.46Å; F27-W35 HydrophobicContact CB-CE3 3.85Å; Y28-W35 CarbonylContact O-C 3.53Å; Y28-W35 WeakPolarHBondContact O-CA 3.37Å; L29-W35 HydrophobicContact CB-CD2 4.18Å; L29-W35 HydrophobicContact CB-CE3 4.07Å; L29-W35 HydrophobicContact CB-CH2 4.09Å; L29-W35 HydrophobicContact CB-CZ2 4.16Å; L29-W35 HydrophobicContact CB-CZ3 4.02Å; L29-W35 HydrophobicContact CD1-CD2 4.19Å; L29-W35 HydrophobicContact CD1-CG 4.28Å; W35-P93 HydrophobicContact CH2-CB 3.61Å; W35-P93 HydrophobicContact CZ2-CB 4.29Å; W35-P93 HydrophobicContact CZ3-CB 4.39Å; W35-P93 WeakPolarHBondContact CZ3-O 3.26Å; W35-K95 HydrophobicContact CD2-CD 3.98Å; W35-K95 HydrophobicContact CD2-CG 4.28Å; W35-K95 HydrophobicContact CE3-CD 4.03Å; W35-K95 HydrophobicContact CE3-CG 3.82Å; W35-K95 HydrophobicContact CH2-CB 4.12Å; W35-K95 HydrophobicContact CH2-CD 4.11Å; W35-K95 HydrophobicContact CH2-CG 3.99Å; W35-K95 HydrophobicContact CZ2-CD 4.09Å; W35-K95 HydrophobicContact CZ2-CG 4.47Å; W35-K95 HydrophobicContact CZ3-CB 4.1Å; W35-K95 HydrophobicContact CZ3-CD 4.11Å; W35-K95 HydrophobicContact CZ3-CG 3.66Å; W35-C117 HydrophobicContact CB-CB 4.46Å; W35-C117 HydrophobicContact CG-CB 4.2Å; W35-C117 PolarHBondContact NE1-SG 3.39Å; W35-C117 VanDerWaalsContact NE1-SG 3.39Å
36H69.4Low71.5Confident80 Ų8064.4 Ų64.437%0.3738%0.38SS..EExtended strand (participates in β ladder)trans-102.8135.2173.4-76.4-103.8000109.7F27 Y28 A30 V34F27-H36 CarbonylContact C-O 3.51Å; F27-H36 WeakPolarHBondContact CA-O 3.44Å; Y28-H36 HydrophobicContact CD1-CB 4.32Å; Y28-H36 WeakPolarHBondContact CD1-O 3.23Å; Y28-H36 HydrophobicContact CD2-CB 4.23Å; Y28-H36 HydrophobicContact CE1-CB 3.75Å; Y28-H36 HydrophobicContact CE2-CB 3.67Å; Y28-H36 VanDerWaalsContact CZ-CB 3.41Å; Y28-H36 PolarHBondContact N-O 2.88Å; Y28-H36 PolarHBondContact O-N 3.06Å; A30-H36 WeakPolarHBondContact CB-CD2 3.21Å; V34-H36 PolarHBondContact O-CD2 3.31Å
37M80.9Confident71.6Confident66 Ų6666.3 Ų66.333%0.32539%0.393SS..EExtended strand (participates in β ladder)trans-75.1143.7174.5-160.2177.158.900109.9C25 W26 F27 I40C25-M37 HydrophobicContact CB-CG 4.35Å; C25-M37 HydrophobicContact CB-SD 4.03Å; W26-M37 WeakPolarHBondContact O-CA 3.41Å; W26-M37 WeakPolarHBondContact O-CG 3.49Å; F27-M37 HydrophobicContact CD1-CB 3.71Å; F27-M37 HydrophobicContact CD1-CG 3.96Å; F27-M37 HydrophobicContact CE1-CB 3.59Å; F27-M37 HydrophobicContact CE1-CG 3.59Å; F27-M37 HydrophobicContact CE1-SD 4.1Å; F27-M37 HydrophobicContact CZ-CB 4.4Å; F27-M37 HydrophobicContact CZ-CG 3.89Å; F27-M37 HydrophobicContact CZ-SD 4.09Å; M37-I40 HydrophobicContact CE-CD1 3.66Å; M37-I40 HydrophobicContact CE-CG1 3.7Å
38F84.2Confident71.8Confident5 Ų565.6 Ų65.62%0.02239%0.39CS..PPolyproline II helixtrans-67.4141.6162.5-71.5-87.2000108.9W26 Y28 V48 I53 F67 L76W26-F38 HydrophobicContact CB-CD2 3.78Å; W26-F38 HydrophobicContact CB-CE2 4.44Å; W26-F38 WeakPolarHBondContact O-CD2 3.47Å; W26-F38 PolarHBondContact O-N 3.47Å; Y28-F38 HydrophobicContact CD1-CD1 4.37Å; Y28-F38 HydrophobicContact CD1-CD2 4.16Å; Y28-F38 AromaticContact CD1-CE1 3.99Å; Y28-F38 HydrophobicContact CD1-CE1 3.99Å; Y28-F38 AromaticContact CD1-CE2 3.76Å; Y28-F38 HydrophobicContact CD1-CE2 3.76Å; Y28-F38 HydrophobicContact CD1-CG 4.45Å; Y28-F38 AromaticContact CD1-CZ 3.67Å; Y28-F38 HydrophobicContact CD1-CZ 3.67Å; Y28-F38 HydrophobicContact CE1-CE1 4.45Å; Y28-F38 HydrophobicContact CG-CE2 4.44Å; Y28-F38 HydrophobicContact CG-CZ 4.33Å; F38-V48 HydrophobicContact CD1-CG1 4.15Å; F38-V48 HydrophobicContact CE1-CG1 4.4Å; F38-I53 HydrophobicContact CB-CD1 3.83Å; F38-I53 HydrophobicContact CD1-CD1 3.55Å; F38-I53 HydrophobicContact CD2-CD1 3.41Å; F38-I53 VanDerWaalsContact CD2-CD1 3.41Å; F38-I53 HydrophobicContact CE1-CD1 3.88Å; F38-I53 HydrophobicContact CE2-CD1 3.76Å; F38-I53 HydrophobicContact CG-CD1 3.3Å; F38-I53 HydrophobicContact CZ-CD1 3.98Å; F38-F67 HydrophobicContact CE1-CE1 4.07Å; F38-F67 HydrophobicContact CE1-CE2 4.18Å; F38-F67 AromaticContact CE1-CZ 3.69Å; F38-F67 HydrophobicContact CE1-CZ 3.69Å; F38-F67 HydrophobicContact CZ-CE1 4.43Å; F38-F67 HydrophobicContact CZ-CZ 4.3Å; F38-L76 HydrophobicContact CZ-CD1 4.35Å; F38-L76 HydrophobicContact CZ-CD2 4.16Å
39E79.3Confident72.2Confident79 Ų7963.7 Ų63.737%0.36938%0.384SS..PPolyproline II helixtrans-58.8143.5-174.2-65.9171.6159.900111D41 S43 T49 S50E39-D41 WeakPolarHBondContact CB-O 3.41Å; E39-S43 PolarHBondContact OE1-OG 3.46Å; E39-S43 WeakPolarHBondContact OE2-CB 3.42Å; E39-S43 PolarHBondContact OE2-OG 2.78Å; E39-T49 CarbonylContact O-C 3.56Å; E39-T49 WeakPolarHBondContact O-CA 3.36Å; E39-T49 VanDerWaalsContact O-CB 3.22Å; E39-T49 WeakPolarHBondContact O-CB 3.46Å; E39-S50 PolarHBondContact O-N 2.99Å
40I69.9Low72.9Confident80 Ų8061.4 Ų61.441%0.4137%0.372SS..SBendtrans-77.7-45.3177.4-63.5170.1000108.7M37 H99M37-I40 HydrophobicContact CE-CD1 3.66Å; M37-I40 HydrophobicContact CE-CG1 3.7Å; I40-H99 WeakPolarHBondContact CD1-NE2 3.45Å
41D70.7Confident73.7Confident120 Ų12063.7 Ų63.764%0.64239%0.391SS*.SBendtrans-93.5148.5178.2-60.2-53.7000111.3E39 S43E39-D41 WeakPolarHBondContact CB-O 3.41Å; D41-S43 PolarHBondContact O-N 2.85Å
42P72.4Confident75.5Confident113 Ų11359.8 Ų59.873%0.73437%0.372SS*.  trans-60.2133.5173.4-20.632.2000111.4T49P42-T49 HydrophobicContact CB-CG2 4.49Å; P42-T49 HydrophobicContact CG-CG2 4.19Å
43S72.6Confident77.6Confident45 Ų4555.6 Ų55.632%0.31534%0.344SS..  trans-125.4163.1170.986.40000111.8E39 D41 A45 C46E39-S43 PolarHBondContact OE1-OG 3.46Å; E39-S43 WeakPolarHBondContact OE2-CB 3.42Å; E39-S43 PolarHBondContact OE2-OG 2.78Å; D41-S43 PolarHBondContact O-N 2.85Å; S43-A45 PolarHBondContact O-N 2.84Å; S43-A45 PolarHBondContact OG-N 3.45Å; S43-C46 PolarHBondContact OG-N 2.99Å
44A67.4Low79.8Confident111 Ų11153.8 Ų53.892%0.91732%0.321SS*.SBendtrans-69.7-11.2171.700000113.2
45A72.2Confident81.8Confident58 Ų5855.8 Ų55.848%0.47933%0.326SS..SBendtrans-91-25.8-174.500000113.4S43 T69S43-A45 PolarHBondContact O-N 2.84Å; S43-A45 PolarHBondContact OG-N 3.45Å; A45-T69 VanDerWaalsContact O-CA 3.26Å; A45-T69 WeakPolarHBondContact O-CA 3.15Å; A45-T69 VanDerWaalsContact O-CB 3.26Å; A45-T69 WeakPolarHBondContact O-CB 3.47Å
46C83.8Confident83.2Confident21 Ų2154.3 Ų54.314%0.14233%0.326CS..BIsolated β-bridgetrans-141128.4-176.7-173.60000110.9S43 V48S43-C46 PolarHBondContact OG-N 2.99Å; C46-V48 PolarHBondContact O-N 3.38Å; C46-V48 PolarHBondContact SG-O 3.21Å; C46-V48 VanDerWaalsContact SG-O 3.35Å
47S90.1Very high84.3Confident39 Ų3952.4 Ų52.427%0.27332%0.316SS..SBendtrans-76.5-1.7-176.8790000114.9F67 Y68S47-F67 WeakPolarHBondContact OG-CA 3.44Å; S47-F67 WeakPolarHBondContact OG-CB 3.45Å; S47-Y68 WeakPolarHBondContact CB-O 3.33Å; S47-Y68 PolarHBondContact N-O 3.35Å; S47-Y68 WeakPolarHBondContact OG-CD1 3.45Å; S47-Y68 WeakPolarHBondContact OG-CE1 3.36Å; S47-Y68 PolarHBondContact OG-N 3.3Å; S47-Y68 PolarHBondContact OG-O 3.22Å
48V92.4Very high84.9Confident5 Ų553.8 Ų53.83%0.0332%0.324CS..  trans-134.5139.6-174.874.90000110.8F38 C46 Q52 I53 M65 F67F38-V48 HydrophobicContact CD1-CG1 4.15Å; F38-V48 HydrophobicContact CE1-CG1 4.4Å; C46-V48 PolarHBondContact O-N 3.38Å; C46-V48 PolarHBondContact SG-O 3.21Å; C46-V48 VanDerWaalsContact SG-O 3.35Å; V48-Q52 VanDerWaalsContact CA-OE1 3.31Å; V48-Q52 HydrophobicContact CG2-CB 3.81Å; V48-I53 HydrophobicContact CG1-CD1 4.15Å; V48-I53 HydrophobicContact CG1-CG1 4.31Å; V48-I53 HydrophobicContact CG2-CD1 4.36Å; V48-I53 HydrophobicContact CG2-CG1 3.66Å; V48-M65 HydrophobicContact CG2-CE 3.62Å; V48-F67 HydrophobicContact CB-CB 3.76Å; V48-F67 HydrophobicContact CB-CG 4.28Å; V48-F67 HydrophobicContact CG1-CB 3.56Å; V48-F67 HydrophobicContact CG1-CD1 4.08Å; V48-F67 HydrophobicContact CG1-CD2 3.66Å; V48-F67 HydrophobicContact CG1-CE2 4.33Å; V48-F67 HydrophobicContact CG1-CG 3.5Å
49T91Very high85.4Confident11 Ų1162.3 Ų62.37%0.06736%0.356CS..  trans-101.6161.6170.968.90000111.6E39 P42 A51 Q52 I53E39-T49 CarbonylContact O-C 3.56Å; E39-T49 WeakPolarHBondContact O-CA 3.36Å; E39-T49 VanDerWaalsContact O-CB 3.22Å; E39-T49 WeakPolarHBondContact O-CB 3.46Å; P42-T49 HydrophobicContact CB-CG2 4.49Å; P42-T49 HydrophobicContact CG-CG2 4.19Å; T49-A51 PolarHBondContact O-N 3.17Å; T49-Q52 PolarHBondContact O-N 2.86Å; T49-Q52 VanDerWaalsContact O-N 3.12Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.42Å; T49-Q52 PolarHBondContact OG1-N 2.82Å; T49-I53 WeakPolarHBondContact O-CG1 3.3Å; T49-I53 PolarHBondContact O-N 2.91Å; T49-I53 VanDerWaalsContact O-N 3.13Å
50S89.3Confident86.2Confident2 Ų262.7 Ų62.71%0.01436%0.361CS..Hα-helixtrans-54.3-39.6174.3-178.50000112.8C25 W26 E39 Q52 I53 E54C25-S50 WeakPolarHBondContact CA-OG 3.48Å; W26-S50 PolarHBondContact N-OG 3.38Å; E39-S50 PolarHBondContact O-N 2.99Å; S50-Q52 VanDerWaalsContact C-N 3.35Å; S50-Q52 PolarHBondContact O-N 3.46Å; S50-I53 PolarHBondContact O-N 3.47Å; S50-E54 PolarHBondContact O-N 2.88Å
51A89.8Confident87.2Confident64 Ų6464.3 Ų64.353%0.52937%0.367SS..Hα-helixtrans-65.9-36.4179.100000112.5T49 E54 Q55T49-A51 PolarHBondContact O-N 3.17Å; A51-E54 PolarHBondContact O-N 3.39Å; A51-Q55 WeakPolarHBondContact O-CB 3.49Å; A51-Q55 PolarHBondContact O-N 2.98Å
52Q93.1Very high88.2Confident86 Ų8668.5 Ų68.540%0.40237%0.374SS..Hα-helixtrans-69.4-38.6176.7-71.2170.5-33.200111.7V48 T49 S50 E54 Q55 C56V48-Q52 VanDerWaalsContact CA-OE1 3.31Å; V48-Q52 HydrophobicContact CG2-CB 3.81Å; T49-Q52 PolarHBondContact O-N 2.86Å; T49-Q52 VanDerWaalsContact O-N 3.12Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.42Å; T49-Q52 PolarHBondContact OG1-N 2.82Å; S50-Q52 VanDerWaalsContact C-N 3.35Å; S50-Q52 PolarHBondContact O-N 3.46Å; Q52-E54 VanDerWaalsContact C-N 3.34Å; Q52-Q55 PolarHBondContact O-N 2.82Å; Q52-C56 PolarHBondContact O-N 2.69Å; Q52-C56 PolarHBondContact O-SG 2.78Å
53I95.1Very high89.2Confident0 Ų063.5 Ų63.50%034%0.343CS..Hα-helixtrans-62.8-44.8174.3-58170.1000110W26 F38 V48 T49 S50 Q55 C56 Y57 M65 L76 F78W26-I53 HydrophobicContact CB-CB 4.22Å; W26-I53 HydrophobicContact CB-CD1 4.04Å; W26-I53 HydrophobicContact CB-CG2 4.1Å; W26-I53 HydrophobicContact CD2-CB 4.17Å; W26-I53 HydrophobicContact CD2-CG2 3.31Å; W26-I53 HydrophobicContact CE3-CG2 3.69Å; W26-I53 HydrophobicContact CG-CB 3.8Å; W26-I53 HydrophobicContact CG-CG2 3.48Å; W26-I53 VanDerWaalsContact CG-CG2 3.48Å; W26-I53 HydrophobicContact CZ2-CG2 4.3Å; W26-I53 HydrophobicContact CZ3-CG2 4.3Å; F38-I53 HydrophobicContact CB-CD1 3.83Å; F38-I53 HydrophobicContact CD1-CD1 3.55Å; F38-I53 HydrophobicContact CD2-CD1 3.41Å; F38-I53 VanDerWaalsContact CD2-CD1 3.41Å; F38-I53 HydrophobicContact CE1-CD1 3.88Å; F38-I53 HydrophobicContact CE2-CD1 3.76Å; F38-I53 HydrophobicContact CG-CD1 3.3Å; F38-I53 HydrophobicContact CZ-CD1 3.98Å; V48-I53 HydrophobicContact CG1-CD1 4.15Å; V48-I53 HydrophobicContact CG1-CG1 4.31Å; V48-I53 HydrophobicContact CG2-CD1 4.36Å; V48-I53 HydrophobicContact CG2-CG1 3.66Å; T49-I53 WeakPolarHBondContact O-CG1 3.3Å; T49-I53 PolarHBondContact O-N 2.91Å; T49-I53 VanDerWaalsContact O-N 3.13Å; S50-I53 PolarHBondContact O-N 3.47Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 2.89Å; I53-C56 PolarHBondContact O-N 2.95Å; I53-Y57 WeakPolarHBondContact O-CB 3.38Å; I53-Y57 PolarHBondContact O-N 2.79Å; I53-M65 HydrophobicContact CB-SD 4.29Å; I53-M65 HydrophobicContact CG1-CE 4.42Å; I53-M65 HydrophobicContact CG1-SD 4.08Å; I53-M65 HydrophobicContact CG2-SD 4.19Å; I53-L76 HydrophobicContact CD1-CD1 3.77Å; I53-L76 HydrophobicContact CG1-CD1 3.91Å; I53-L76 HydrophobicContact CG2-CD1 3.85Å; I53-F78 HydrophobicContact CG2-CE1 3.73Å; I53-F78 HydrophobicContact CG2-CZ 3.95Å
54E94.2Very high90.4Very high17 Ų1765.7 Ų65.78%0.07935%0.354CS..Hα-helixtrans-60-43.817718059-163.900112.1W24 W26 S50 A51 Q52 C56 Y57 N58 R96W24-E54 VanDerWaalsContact CB-CD 3.49Å; W24-E54 HydrophobicContact CB-CG 4Å; W26-E54 VanDerWaalsContact NE1-CA 3.29Å; W26-E54 PolarHBondContact NE1-OE2 3.07Å; S50-E54 PolarHBondContact O-N 2.88Å; A51-E54 PolarHBondContact O-N 3.39Å; Q52-E54 VanDerWaalsContact C-N 3.34Å; E54-C56 PolarHBondContact O-N 2.91Å; E54-Y57 PolarHBondContact O-N 3.12Å; E54-N58 WeakPolarHBondContact O-CB 3.49Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 PolarHBondContact O-ND2 2.83Å; E54-N58 PolarHBondContact OE1-ND2 3.26Å; E54-N58 PolarHBondContact OE1-OD1 3.45Å; E54-R96 VanDerWaalsContact CD-NE 3.35Å; E54-R96 IonicContact OE1-CZ 3.33Å; E54-R96 IonicContact OE1-NE 3.12Å; E54-R96 PolarHBondContact OE1-NE 3.47Å; E54-R96 VanDerWaalsContact OE1-NE 3.12Å; E54-R96 IonicContact OE1-NH2 2.69Å; E54-R96 PolarHBondContact OE1-NH2 2.89Å; E54-R96 WeakPolarHBondContact OE2-CD 3.4Å; E54-R96 IonicContact OE2-CZ 3.75Å; E54-R96 IonicContact OE2-NE 2.79Å; E54-R96 PolarHBondContact OE2-NE 3.4Å; E54-R96 IonicContact OE2-NH2 3.87Å
55Q93.6Very high91.8Very high102 Ų10261.6 Ų61.648%0.47732%0.317SS..Hα-helixtrans-61.2-43.3175.7-170.1-178.137.500112.1A51 Q52 I53 R59A51-Q55 WeakPolarHBondContact O-CB 3.49Å; A51-Q55 PolarHBondContact O-N 2.98Å; Q52-Q55 PolarHBondContact O-N 2.82Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 2.89Å; Q55-R59 VanDerWaalsContact NE2-NH2 3.18Å; Q55-R59 WeakPolarHBondContact O-CG 3.29Å; Q55-R59 PolarHBondContact O-N 2.81Å
56C95.1Very high92.9Very high37 Ų3765 Ų6525%0.2532%0.322CS..Hα-helixtrans-64.1-42.6176.6-77.20000112Q52 I53 E54 R59 N60 M65 F78Q52-C56 PolarHBondContact O-N 2.69Å; Q52-C56 PolarHBondContact O-SG 2.78Å; I53-C56 PolarHBondContact O-N 2.95Å; E54-C56 PolarHBondContact O-N 2.91Å; C56-R59 PolarHBondContact O-N 3.44Å; C56-N60 PolarHBondContact O-N 3.42Å; C56-N60 VanDerWaalsContact O-N 3.12Å; C56-M65 HydrophobicContact CB-CE 4.42Å; C56-M65 HydrophobicContact CB-SD 3.68Å; C56-F78 HydrophobicContact CB-CE2 4.01Å; C56-F78 HydrophobicContact CB-CZ 4.1Å
57Y94.3Very high93.4Very high40 Ų4064.1 Ų64.116%0.15732%0.316CS..Hα-helixtrans-63.7-43.5177.6-179.4-102000112.3W26 I53 E54 R59 N60 Q61 F78W26-Y57 HydrophobicContact CH2-CD1 4.33Å; W26-Y57 AromaticContact CH2-CD2 3.44Å; W26-Y57 HydrophobicContact CH2-CD2 3.44Å; W26-Y57 VanDerWaalsContact CH2-CD2 3.44Å; W26-Y57 AromaticContact CH2-CE2 3.95Å; W26-Y57 HydrophobicContact CH2-CE2 3.95Å; W26-Y57 AromaticContact CH2-CG 3.66Å; W26-Y57 HydrophobicContact CH2-CG 3.66Å; W26-Y57 AromaticContact CZ2-CD1 3.81Å; W26-Y57 HydrophobicContact CZ2-CD1 3.81Å; W26-Y57 AromaticContact CZ2-CD2 3.68Å; W26-Y57 HydrophobicContact CZ2-CD2 3.68Å; W26-Y57 HydrophobicContact CZ2-CE1 4.49Å; W26-Y57 HydrophobicContact CZ2-CE2 4.38Å; W26-Y57 AromaticContact CZ2-CG 3.34Å; W26-Y57 HydrophobicContact CZ2-CG 3.34Å; I53-Y57 WeakPolarHBondContact O-CB 3.38Å; I53-Y57 PolarHBondContact O-N 2.79Å; E54-Y57 PolarHBondContact O-N 3.12Å; Y57-R59 VanDerWaalsContact C-N 3.26Å; Y57-R59 PolarHBondContact O-N 2.96Å; Y57-N60 CarbonylContact O-C 3.57Å; Y57-N60 PolarHBondContact O-N 3.02Å; Y57-N60 VanDerWaalsContact O-N 3.16Å; Y57-Q61 HydrophobicContact CD1-CG 4.19Å; Y57-Q61 HydrophobicContact CD2-CB 4.37Å; Y57-Q61 HydrophobicContact CD2-CG 4.43Å; Y57-Q61 HydrophobicContact CE1-CB 4.46Å; Y57-Q61 HydrophobicContact CE1-CG 3.76Å; Y57-Q61 HydrophobicContact CE2-CB 3.84Å; Y57-Q61 HydrophobicContact CE2-CG 4.04Å; Y57-Q61 WeakPolarHBondContact O-CA 3.22Å; Y57-Q61 WeakPolarHBondContact O-CG 3.45Å; Y57-Q61 PolarHBondContact O-N 3.13Å; Y57-Q61 VanDerWaalsContact O-N 3.07Å; Y57-F78 HydrophobicContact CD2-CB 3.81Å; Y57-F78 AromaticContact CD2-CD1 3.95Å; Y57-F78 HydrophobicContact CD2-CD1 3.95Å; Y57-F78 HydrophobicContact CD2-CD2 4.1Å; Y57-F78 AromaticContact CD2-CG 3.71Å; Y57-F78 HydrophobicContact CD2-CG 3.71Å; Y57-F78 HydrophobicContact CE2-CB 4.08Å; Y57-F78 HydrophobicContact CE2-CG 4.46Å
58N93.2Very high93.4Very high94 Ų9469.8 Ų69.850%0.50333%0.333SS..Hα-helixtrans-65.7-28.7178.3-73.2-29.7000112.9E54E54-N58 WeakPolarHBondContact O-CB 3.49Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 PolarHBondContact O-ND2 2.83Å; E54-N58 PolarHBondContact OE1-ND2 3.26Å; E54-N58 PolarHBondContact OE1-OD1 3.45Å
59R95.1Very high93.1Very high184 Ų18471.5 Ų71.569%0.69434%0.343SS*.Hα-helixtrans-72.1-39172.2-71.4174.4-176.31744.2112.3Q55 C56 Y57Q55-R59 VanDerWaalsContact NE2-NH2 3.18Å; Q55-R59 WeakPolarHBondContact O-CG 3.29Å; Q55-R59 PolarHBondContact O-N 2.81Å; C56-R59 PolarHBondContact O-N 3.44Å; Y57-R59 VanDerWaalsContact C-N 3.26Å; Y57-R59 PolarHBondContact O-N 2.96Å
60N94.9Very high92.5Very high87 Ų8775.6 Ų75.647%0.46538%0.378SS..  trans-155.1101.6178.9-175.8-1.1000111.5C56 Y57 R62 G63C56-N60 PolarHBondContact O-N 3.42Å; C56-N60 VanDerWaalsContact O-N 3.12Å; Y57-N60 CarbonylContact O-C 3.57Å; Y57-N60 PolarHBondContact O-N 3.02Å; Y57-N60 VanDerWaalsContact O-N 3.16Å; N60-R62 PolarHBondContact O-N 3.48Å; N60-R62 VanDerWaalsContact O-N 3.11Å; N60-R62 PolarHBondContact OD1-N 2.84Å; N60-G63 VanDerWaalsContact CG-N 3.29Å; N60-G63 WeakPolarHBondContact ND2-CA 3.35Å; N60-G63 WeakPolarHBondContact O-CA 3.48Å; N60-G63 PolarHBondContact O-N 3.26Å; N60-G63 PolarHBondContact OD1-N 3.35Å; N60-G63 VanDerWaalsContact OD1-N 3.14Å
61Q92.1Very high92.1Very high115 Ų11583.8 Ų83.854%0.53741%0.413SS..THydrogen-bonded Turntrans-67.7-11.8-179.2-61.7-176.80.500113.8Y57 F78Y57-Q61 HydrophobicContact CD1-CG 4.19Å; Y57-Q61 HydrophobicContact CD2-CB 4.37Å; Y57-Q61 HydrophobicContact CD2-CG 4.43Å; Y57-Q61 HydrophobicContact CE1-CB 4.46Å; Y57-Q61 HydrophobicContact CE1-CG 3.76Å; Y57-Q61 HydrophobicContact CE2-CB 3.84Å; Y57-Q61 HydrophobicContact CE2-CG 4.04Å; Y57-Q61 WeakPolarHBondContact O-CA 3.22Å; Y57-Q61 WeakPolarHBondContact O-CG 3.45Å; Y57-Q61 PolarHBondContact O-N 3.13Å; Y57-Q61 VanDerWaalsContact O-N 3.07Å; Q61-F78 CarbonylContact O-C 3.53Å; Q61-F78 VanDerWaalsContact O-CB 3.23Å; Q61-F78 WeakPolarHBondContact O-CB 3.42Å
62R91.4Very high91.9Very high207 Ų20785.4 Ų85.478%0.78141%0.406SS*.THydrogen-bonded Turntrans-112.213.1172.5-61.3-174.7179.4-171.50.2112.1N60N60-R62 PolarHBondContact O-N 3.48Å; N60-R62 VanDerWaalsContact O-N 3.11Å; N60-R62 PolarHBondContact OD1-N 2.84Å
63G93.1Very high91.9Very high9 Ų984 Ų849%0.09340%0.404CS..  trans-76.6171.4-178.700000112.7N60 F78N60-G63 VanDerWaalsContact CG-N 3.29Å; N60-G63 WeakPolarHBondContact ND2-CA 3.35Å; N60-G63 WeakPolarHBondContact O-CA 3.48Å; N60-G63 PolarHBondContact O-N 3.26Å; N60-G63 PolarHBondContact OD1-N 3.35Å; N60-G63 VanDerWaalsContact OD1-N 3.14Å; G63-F78 WeakPolarHBondContact O-CB 3.38Å; G63-F78 VanDerWaalsContact O-CD2 3.25Å; G63-F78 WeakPolarHBondContact O-CD2 3.45Å; G63-F78 PolarHBondContact O-N 3.12Å; G63-F78 VanDerWaalsContact O-N 3.07Å
64V96.6Very high91.9Very high90 Ų9085.4 Ų85.455%0.54541%0.41SS..EExtended strand (participates in β ladder)trans-121.3148.1169.7-63.70000109R75 L76 D77V64-R75 HydrophobicContact CB-CG 4.37Å; V64-L76 CarbonylContact C-O 3.58Å; V64-L76 WeakPolarHBondContact CA-O 3.49Å; V64-D77 HydrophobicContact CG1-CB 4.15Å
65M96.7Very high92.1Very high26 Ų2689.1 Ų89.113%0.12842%0.423CS..EExtended strand (participates in β ladder)trans-138.6154.3169.567.5175.1-60.900110.5V48 I53 C56 R75 L76 F78V48-M65 HydrophobicContact CG2-CE 3.62Å; I53-M65 HydrophobicContact CB-SD 4.29Å; I53-M65 HydrophobicContact CG1-CE 4.42Å; I53-M65 HydrophobicContact CG1-SD 4.08Å; I53-M65 HydrophobicContact CG2-SD 4.19Å; C56-M65 HydrophobicContact CB-CE 4.42Å; C56-M65 HydrophobicContact CB-SD 3.68Å; M65-R75 CarbonylContact O-C 3.09Å; M65-R75 WeakPolarHBondContact O-CA 3.16Å; M65-L76 HydrophobicContact CG-CB 3.82Å; M65-L76 HydrophobicContact CG-CD1 4.07Å; M65-L76 HydrophobicContact CG-CG 4.22Å; M65-L76 PolarHBondContact N-O 3.41Å; M65-L76 PolarHBondContact O-N 3.4Å; M65-L76 HydrophobicContact SD-CD1 4.02Å; M65-F78 HydrophobicContact CG-CE2 4.34Å; M65-F78 HydrophobicContact CG-CZ 3.86Å; M65-F78 HydrophobicContact SD-CE2 4.43Å; M65-F78 HydrophobicContact SD-CZ 3.66Å
66E96.4Very high92.3Very high128 Ų12884.2 Ų84.260%0.59840%0.4SS*.EExtended strand (participates in β ladder)trans-113.6146.9176.7-65.3-172.3168.100110.8Y74 R75E66-Y74 CarbonylContact C-O 3.54Å; E66-Y74 VanDerWaalsContact CA-O 3.26Å; E66-Y74 WeakPolarHBondContact CA-O 3.45Å; E66-R75 HydrophobicContact CG-CB 4.26Å; E66-R75 HydrophobicContact CG-CG 4.14Å
67F94.2Very high92.3Very high4 Ų483.6 Ų83.62%0.01839%0.394CS..EExtended strand (participates in β ladder)trans-145.8161.917377.3-86000109.8F38 S47 V48 T69 Y74 L76 Q83F38-F67 HydrophobicContact CE1-CE1 4.07Å; F38-F67 HydrophobicContact CE1-CE2 4.18Å; F38-F67 AromaticContact CE1-CZ 3.69Å; F38-F67 HydrophobicContact CE1-CZ 3.69Å; F38-F67 HydrophobicContact CZ-CE1 4.43Å; F38-F67 HydrophobicContact CZ-CZ 4.3Å; S47-F67 WeakPolarHBondContact OG-CA 3.44Å; S47-F67 WeakPolarHBondContact OG-CB 3.45Å; V48-F67 HydrophobicContact CB-CB 3.76Å; V48-F67 HydrophobicContact CB-CG 4.28Å; V48-F67 HydrophobicContact CG1-CB 3.56Å; V48-F67 HydrophobicContact CG1-CD1 4.08Å; V48-F67 HydrophobicContact CG1-CD2 3.66Å; V48-F67 HydrophobicContact CG1-CE2 4.33Å; V48-F67 HydrophobicContact CG1-CG 3.5Å; F67-T69 HydrophobicContact CE2-CG2 4.15Å; F67-Y74 HydrophobicContact CD2-CD2 4.43Å; F67-Y74 HydrophobicContact CE1-CD2 4.47Å; F67-Y74 HydrophobicContact CE1-CG 4.14Å; F67-Y74 AromaticContact CE2-CD2 3.75Å; F67-Y74 HydrophobicContact CE2-CD2 3.75Å; F67-Y74 HydrophobicContact CE2-CG 4.23Å; F67-Y74 AromaticContact CZ-CD2 3.78Å; F67-Y74 HydrophobicContact CZ-CD2 3.78Å; F67-Y74 AromaticContact CZ-CG 3.8Å; F67-Y74 HydrophobicContact CZ-CG 3.8Å; F67-Y74 PolarHBondContact N-O 3.46Å; F67-Y74 PolarHBondContact O-N 3.22Å; F67-L76 HydrophobicContact CD1-CD1 4.39Å; F67-L76 HydrophobicContact CD1-CD2 4.44Å; F67-L76 HydrophobicContact CD1-CG 4.06Å; F67-L76 HydrophobicContact CE1-CD1 4.35Å; F67-L76 HydrophobicContact CE1-CD2 3.77Å; F67-L76 HydrophobicContact CE1-CG 3.89Å; F67-Q83 HydrophobicContact CE1-CG 4.26Å; F67-Q83 HydrophobicContact CZ-CG 4.46Å
68Y89.7Confident92.3Very high157 Ų15782 Ų8262%0.61639%0.388SS*.EExtended strand (participates in β ladder)trans-127.2147.5-177.651.7-87.6000111.1S47S47-Y68 WeakPolarHBondContact CB-O 3.33Å; S47-Y68 PolarHBondContact N-O 3.35Å; S47-Y68 WeakPolarHBondContact OG-CD1 3.45Å; S47-Y68 WeakPolarHBondContact OG-CE1 3.36Å; S47-Y68 PolarHBondContact OG-N 3.3Å; S47-Y68 PolarHBondContact OG-O 3.22Å
69T85.9Confident92.2Very high42 Ų4280.8 Ų80.826%0.25839%0.387SS..BIsolated β-bridgetrans-110.4177.9163.670.60000109A45 F67 K71 Y72 Y74A45-T69 VanDerWaalsContact O-CA 3.26Å; A45-T69 WeakPolarHBondContact O-CA 3.15Å; A45-T69 VanDerWaalsContact O-CB 3.26Å; A45-T69 WeakPolarHBondContact O-CB 3.47Å; F67-T69 HydrophobicContact CE2-CG2 4.15Å; T69-K71 PolarHBondContact O-N 3.39Å; T69-K71 PolarHBondContact OG1-N 3.02Å; T69-Y72 PolarHBondContact N-O 3.17Å; T69-Y72 PolarHBondContact OG1-N 3.28Å; T69-Y72 PolarHBondContact OG1-O 2.81Å; T69-Y74 HydrophobicContact CG2-CD2 4.21Å; T69-Y74 HydrophobicContact CG2-CE2 3.84Å
70A79.9Confident92.1Very high96 Ų9675.9 Ų75.979%0.79338%0.377SS*.SBendtrans-55.1-21.3175.200000114.5
71K79.7Confident92Very high174 Ų17474.5 Ų74.576%0.75737%0.369SS*.SBendtrans-118-27.6-174.3-67.4-173.8179.2-179.20115.2T69T69-K71 PolarHBondContact O-N 3.39Å; T69-K71 PolarHBondContact OG1-N 3.02Å
72Y86.6Confident92.2Very high98 Ų9874.6 Ų74.638%0.38436%0.364SS..  trans-144.8150-168.1-61.4-68.3000112.2T69 Y74 N85 T88T69-Y72 PolarHBondContact N-O 3.17Å; T69-Y72 PolarHBondContact OG1-N 3.28Å; T69-Y72 PolarHBondContact OG1-O 2.81Å; Y72-Y74 WeakPolarHBondContact CD2-OH 3.22Å; Y72-N85 WeakPolarHBondContact CB-ND2 3.5Å; Y72-N85 WeakPolarHBondContact CD1-ND2 3.37Å; Y72-N85 VanDerWaalsContact CG-ND2 3.31Å; Y72-T88 HydrophobicContact CE1-CG2 4.46Å
73T92.9Very high92.3Very high58 Ų5864.8 Ų64.836%0.35633%0.327SS..EExtended strand (participates in β ladder)trans-96136.8167-53.40000109.6V86T73-V86 HydrophobicContact CG2-CG2 4.26Å; T73-V86 PolarHBondContact O-N 2.85Å
74Y95Very high92.4Very high29 Ų2965.3 Ų65.311%0.11433%0.328CS..EExtended strand (participates in β ladder)trans-127.4149.3-179.2-65-82.6000111.2E66 F67 T69 Y72 Q83 I84 N85E66-Y74 CarbonylContact C-O 3.54Å; E66-Y74 VanDerWaalsContact CA-O 3.26Å; E66-Y74 WeakPolarHBondContact CA-O 3.45Å; F67-Y74 HydrophobicContact CD2-CD2 4.43Å; F67-Y74 HydrophobicContact CE1-CD2 4.47Å; F67-Y74 HydrophobicContact CE1-CG 4.14Å; F67-Y74 AromaticContact CE2-CD2 3.75Å; F67-Y74 HydrophobicContact CE2-CD2 3.75Å; F67-Y74 HydrophobicContact CE2-CG 4.23Å; F67-Y74 AromaticContact CZ-CD2 3.78Å; F67-Y74 HydrophobicContact CZ-CD2 3.78Å; F67-Y74 AromaticContact CZ-CG 3.8Å; F67-Y74 HydrophobicContact CZ-CG 3.8Å; F67-Y74 PolarHBondContact N-O 3.46Å; F67-Y74 PolarHBondContact O-N 3.22Å; T69-Y74 HydrophobicContact CG2-CD2 4.21Å; T69-Y74 HydrophobicContact CG2-CE2 3.84Å; Y72-Y74 WeakPolarHBondContact CD2-OH 3.22Å; Y74-Q83 HydrophobicContact CD1-CG 3.96Å; Y74-Q83 HydrophobicContact CG-CG 4.35Å; Y74-I84 CarbonylContact C-O 3.55Å; Y74-I84 WeakPolarHBondContact CA-O 3.4Å; Y74-N85 VanDerWaalsContact CD1-CA 3.47Å; Y74-N85 HydrophobicContact CD1-CB 3.76Å; Y74-N85 HydrophobicContact CE1-CB 3.56Å; Y74-N85 WeakPolarHBondContact CE1-ND2 3.47Å
75R97.3Very high92.3Very high94 Ų9461.5 Ų61.536%0.35530%0.304SS..EExtended strand (participates in β ladder)trans-115.9127.9170.9-170.3178.477.2-171.77.1109.7V64 M65 E66 Q83 I84 V86V64-R75 HydrophobicContact CB-CG 4.37Å; M65-R75 CarbonylContact O-C 3.09Å; M65-R75 WeakPolarHBondContact O-CA 3.16Å; E66-R75 HydrophobicContact CG-CB 4.26Å; E66-R75 HydrophobicContact CG-CG 4.14Å; R75-Q83 CarbonylContact O-C 3.52Å; R75-Q83 WeakPolarHBondContact O-CA 3.39Å; R75-I84 PolarHBondContact N-O 3.42Å; R75-I84 PolarHBondContact O-N 3Å; R75-V86 HydrophobicContact CB-CG2 4.09Å
76L97.4Very high92.1Very high0 Ų064 Ų640%032%0.32CS..EExtended strand (participates in β ladder)trans-92.2131165.9-57.8-176.3000108.5F38 I53 V64 M65 F67 F78 Q83 I94F38-L76 HydrophobicContact CZ-CD1 4.35Å; F38-L76 HydrophobicContact CZ-CD2 4.16Å; I53-L76 HydrophobicContact CD1-CD1 3.77Å; I53-L76 HydrophobicContact CG1-CD1 3.91Å; I53-L76 HydrophobicContact CG2-CD1 3.85Å; V64-L76 CarbonylContact C-O 3.58Å; V64-L76 WeakPolarHBondContact CA-O 3.49Å; M65-L76 HydrophobicContact CG-CB 3.82Å; M65-L76 HydrophobicContact CG-CD1 4.07Å; M65-L76 HydrophobicContact CG-CG 4.22Å; M65-L76 PolarHBondContact N-O 3.41Å; M65-L76 PolarHBondContact O-N 3.4Å; M65-L76 HydrophobicContact SD-CD1 4.02Å; F67-L76 HydrophobicContact CD1-CD1 4.39Å; F67-L76 HydrophobicContact CD1-CD2 4.44Å; F67-L76 HydrophobicContact CD1-CG 4.06Å; F67-L76 HydrophobicContact CE1-CD1 4.35Å; F67-L76 HydrophobicContact CE1-CD2 3.77Å; F67-L76 HydrophobicContact CE1-CG 3.89Å; L76-F78 HydrophobicContact CB-CE1 4.15Å; L76-F78 HydrophobicContact CD1-CE1 4.42Å; L76-Q83 HydrophobicContact CD2-CB 3.52Å; L76-Q83 HydrophobicContact CD2-CG 3.7Å; L76-I94 HydrophobicContact CB-CD1 4.28Å; L76-I94 HydrophobicContact CD2-CD1 4.13Å; L76-I94 HydrophobicContact CD2-CG2 4.07Å
77D95.9Very high91.6Very high23 Ų2362.7 Ų62.712%0.12332%0.322CS..EExtended strand (participates in β ladder)trans-119.2107.1174.2-171.4-31.6000108.4V64 S79 V80 M81 R82V64-D77 HydrophobicContact CG1-CB 4.15Å; D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 WeakPolarHBondContact OD1-CB 3.26Å; D77-S79 PolarHBondContact OD1-N 3.47Å; D77-S79 PolarHBondContact OD1-OG 2.88Å; D77-V80 HydrophobicContact CB-CG2 3.85Å; D77-M81 WeakPolarHBondContact O-CA 3.26Å; D77-M81 PolarHBondContact O-N 2.71Å; D77-R82 PolarHBondContact N-O 2.91Å; D77-R82 PolarHBondContact O-N 3.27Å
78F95Very high91.3Very high7 Ų766 Ų663%0.03134%0.343CS..THydrogen-bonded Turntrans-74.4-24.2-176-57.2-45.9000112.5W26 I53 C56 Y57 Q61 G63 M65 L76 V80 M81 I94W26-F78 AromaticContact CH2-CD1 3.83Å; W26-F78 HydrophobicContact CH2-CD1 3.83Å; W26-F78 AromaticContact CH2-CE1 3.95Å; W26-F78 HydrophobicContact CH2-CE1 3.95Å; W26-F78 AromaticContact CZ3-CD1 3.97Å; W26-F78 HydrophobicContact CZ3-CD1 3.97Å; W26-F78 AromaticContact CZ3-CE1 3.99Å; W26-F78 HydrophobicContact CZ3-CE1 3.99Å; I53-F78 HydrophobicContact CG2-CE1 3.73Å; I53-F78 HydrophobicContact CG2-CZ 3.95Å; C56-F78 HydrophobicContact CB-CE2 4.01Å; C56-F78 HydrophobicContact CB-CZ 4.1Å; Y57-F78 HydrophobicContact CD2-CB 3.81Å; Y57-F78 AromaticContact CD2-CD1 3.95Å; Y57-F78 HydrophobicContact CD2-CD1 3.95Å; Y57-F78 HydrophobicContact CD2-CD2 4.1Å; Y57-F78 AromaticContact CD2-CG 3.71Å; Y57-F78 HydrophobicContact CD2-CG 3.71Å; Y57-F78 HydrophobicContact CE2-CB 4.08Å; Y57-F78 HydrophobicContact CE2-CG 4.46Å; Q61-F78 CarbonylContact O-C 3.53Å; Q61-F78 VanDerWaalsContact O-CB 3.23Å; Q61-F78 WeakPolarHBondContact O-CB 3.42Å; G63-F78 WeakPolarHBondContact O-CB 3.38Å; G63-F78 VanDerWaalsContact O-CD2 3.25Å; G63-F78 WeakPolarHBondContact O-CD2 3.45Å; G63-F78 PolarHBondContact O-N 3.12Å; G63-F78 VanDerWaalsContact O-N 3.07Å; M65-F78 HydrophobicContact CG-CE2 4.34Å; M65-F78 HydrophobicContact CG-CZ 3.86Å; M65-F78 HydrophobicContact SD-CE2 4.43Å; M65-F78 HydrophobicContact SD-CZ 3.66Å; L76-F78 HydrophobicContact CB-CE1 4.15Å; L76-F78 HydrophobicContact CD1-CE1 4.42Å; F78-V80 VanDerWaalsContact C-N 3.3Å; F78-V80 PolarHBondContact O-N 2.94Å; F78-M81 PolarHBondContact O-N 3.06Å; F78-I94 HydrophobicContact CD1-CD1 4.23Å; F78-I94 HydrophobicContact CE1-CD1 4.49Å
79S90.8Very high91.2Very high69 Ų6960.8 Ų60.848%0.48334%0.336SS..THydrogen-bonded Turntrans-66.2-35.3-179.674.40000112.3D77D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 WeakPolarHBondContact OD1-CB 3.26Å; D77-S79 PolarHBondContact OD1-N 3.47Å; D77-S79 PolarHBondContact OD1-OG 2.88Å
80V92.6Very high91.3Very high81 Ų8164.9 Ų64.949%0.49135%0.35SS..THydrogen-bonded Turntrans-110.31.2179.1-63.30000113.1D77 F78 R82D77-V80 HydrophobicContact CB-CG2 3.85Å; F78-V80 VanDerWaalsContact C-N 3.3Å; F78-V80 PolarHBondContact O-N 2.94Å; V80-R82 HydrophobicContact CG2-CB 4.06Å; V80-R82 HydrophobicContact CG2-CG 4.11Å; V80-R82 PolarHBondContact O-N 2.87Å
81M93.3Very high91.9Very high58 Ų5865.2 Ų65.229%0.28634%0.335SS..THydrogen-bonded Turntrans50.754.2-176.8-63.9-64.5-73.800112.5W26 D77 F78 I94W26-M81 HydrophobicContact CH2-CE 4.1Å; W26-M81 HydrophobicContact CH2-SD 4.37Å; W26-M81 HydrophobicContact CZ3-CE 3.75Å; W26-M81 HydrophobicContact CZ3-SD 4.26Å; D77-M81 WeakPolarHBondContact O-CA 3.26Å; D77-M81 PolarHBondContact O-N 2.71Å; F78-M81 PolarHBondContact O-N 3.06Å; M81-I94 HydrophobicContact CB-CG1 4.3Å; M81-I94 HydrophobicContact CE-CG1 4.45Å; M81-I94 WeakPolarHBondContact O-CG1 3.41Å; M81-I94 PolarHBondContact O-N 3.22Å
82R95.1Very high92.2Very high117 Ų11759.7 Ų59.744%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-130.5147.2176.9-66-175.6-179-161-1.6113.5D77 V80 R92D77-R82 PolarHBondContact N-O 2.91Å; D77-R82 PolarHBondContact O-N 3.27Å; V80-R82 HydrophobicContact CG2-CB 4.06Å; V80-R82 HydrophobicContact CG2-CG 4.11Å; V80-R82 PolarHBondContact O-N 2.87Å; R82-R92 WeakPolarHBondContact CA-O 3.35Å
83Q95.2Very high92.3Very high1 Ų157.7 Ų57.71%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-98.3136.5160.5178.2-176.3-17.200109.4F67 Y74 R75 L76 Q91 R92 I94F67-Q83 HydrophobicContact CE1-CG 4.26Å; F67-Q83 HydrophobicContact CZ-CG 4.46Å; Y74-Q83 HydrophobicContact CD1-CG 3.96Å; Y74-Q83 HydrophobicContact CG-CG 4.35Å; R75-Q83 CarbonylContact O-C 3.52Å; R75-Q83 WeakPolarHBondContact O-CA 3.39Å; L76-Q83 HydrophobicContact CD2-CB 3.52Å; L76-Q83 HydrophobicContact CD2-CG 3.7Å; Q83-Q91 CarbonylContact O-C 3.59Å; Q83-Q91 VanDerWaalsContact O-CA 3.3Å; Q83-Q91 WeakPolarHBondContact O-CA 3.16Å; Q83-R92 HydrophobicContact CB-CG 3.88Å; Q83-R92 HydrophobicContact CG-CG 4.4Å; Q83-R92 PolarHBondContact N-O 3.45Å; Q83-R92 VanDerWaalsContact NE2-CZ 3.27Å; Q83-R92 PolarHBondContact O-N 3.14Å; Q83-I94 HydrophobicContact CB-CG2 3.67Å
84I95Very high92.3Very high19 Ų1955.2 Ų55.210%0.09729%0.293CS..EExtended strand (participates in β ladder)trans-124.4125.5-178-53.7171.3000107.8Y74 R75 V86 K90 Q91Y74-I84 CarbonylContact C-O 3.55Å; Y74-I84 WeakPolarHBondContact CA-O 3.4Å; R75-I84 PolarHBondContact N-O 3.42Å; R75-I84 PolarHBondContact O-N 3Å; I84-V86 PolarHBondContact O-N 2.88Å; I84-K90 WeakPolarHBondContact CA-O 3.43Å; I84-Q91 HydrophobicContact CG1-CG 4.02Å; I84-Q91 HydrophobicContact CG2-CG 4.28Å
85N92.7Very high91.8Very high10 Ų1055.8 Ų55.85%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-75.7115.4168.5-176.7-61.6000108.3Y72 Y74 T87 T88 G89 K90Y72-N85 WeakPolarHBondContact CB-ND2 3.5Å; Y72-N85 WeakPolarHBondContact CD1-ND2 3.37Å; Y72-N85 VanDerWaalsContact CG-ND2 3.31Å; Y74-N85 VanDerWaalsContact CD1-CA 3.47Å; Y74-N85 HydrophobicContact CD1-CB 3.76Å; Y74-N85 HydrophobicContact CE1-CB 3.56Å; Y74-N85 WeakPolarHBondContact CE1-ND2 3.47Å; N85-T87 VanDerWaalsContact C-N 3.27Å; N85-T87 PolarHBondContact O-N 2.87Å; N85-T87 WeakPolarHBondContact OD1-CB 3.5Å; N85-T87 PolarHBondContact OD1-N 2.89Å; N85-T87 VanDerWaalsContact OD1-N 3.08Å; N85-T88 VanDerWaalsContact CB-OG1 3.29Å; N85-T88 WeakPolarHBondContact CB-OG1 3.4Å; N85-T88 PolarHBondContact O-N 2.85Å; N85-T88 PolarHBondContact OD1-N 2.85Å; N85-T88 PolarHBondContact OD1-OG1 2.51Å; N85-G89 VanDerWaalsContact O-CA 3.28Å; N85-G89 WeakPolarHBondContact O-CA 3.45Å; N85-G89 PolarHBondContact O-N 3.5Å; N85-K90 HydrophobicContact CB-CB 4.49Å; N85-K90 PolarHBondContact N-O 3.16Å
86V92.6Very high91.4Very high78 Ų7854.5 Ų54.547%0.47329%0.292SS..THydrogen-bonded Turntrans-68.3-31.2-173-1780000111.2T73 R75 I84T73-V86 HydrophobicContact CG2-CG2 4.26Å; T73-V86 PolarHBondContact O-N 2.85Å; R75-V86 HydrophobicContact CB-CG2 4.09Å; I84-V86 PolarHBondContact O-N 2.88Å
87T86.3Confident90.2Very high101 Ų10156.4 Ų56.462%0.6231%0.305SS*.THydrogen-bonded Turntrans-74.2-40.4179.8-45.80000112.7N85N85-T87 VanDerWaalsContact C-N 3.27Å; N85-T87 PolarHBondContact O-N 2.87Å; N85-T87 WeakPolarHBondContact OD1-CB 3.5Å; N85-T87 PolarHBondContact OD1-N 2.89Å; N85-T87 VanDerWaalsContact OD1-N 3.08Å
88T88.1Confident88.9Confident75 Ų7558.8 Ų58.846%0.4632%0.317SS..THydrogen-bonded Turntrans-107.8-13-171.562.20000114.2Y72 N85 K90Y72-T88 HydrophobicContact CE1-CG2 4.46Å; N85-T88 VanDerWaalsContact CB-OG1 3.29Å; N85-T88 WeakPolarHBondContact CB-OG1 3.4Å; N85-T88 PolarHBondContact O-N 2.85Å; N85-T88 PolarHBondContact OD1-N 2.85Å; N85-T88 PolarHBondContact OD1-OG1 2.51Å; T88-K90 PolarHBondContact O-N 3.42Å; T88-K90 VanDerWaalsContact O-N 3.17Å
89G88.8Confident86.9Confident46 Ų4660.9 Ų60.947%0.47433%0.327SS..  trans72.7-6-174.300000115.1N85 Q91N85-G89 VanDerWaalsContact O-CA 3.28Å; N85-G89 WeakPolarHBondContact O-CA 3.45Å; N85-G89 PolarHBondContact O-N 3.5Å; G89-Q91 WeakPolarHBondContact O-CG 3.46Å; G89-Q91 PolarHBondContact O-N 2.89Å
90K87.4Confident84.8Confident129 Ų12960.2 Ų60.256%0.56132%0.322SS*.  trans-58.2136.5177.1-79.2-173.6168.7-173.50110.7E31 I84 N85 T88E31-K90 IonicContact OE1-NZ 2.84Å; E31-K90 PolarHBondContact OE1-NZ 2.85Å; I84-K90 WeakPolarHBondContact CA-O 3.43Å; N85-K90 HydrophobicContact CB-CB 4.49Å; N85-K90 PolarHBondContact N-O 3.16Å; T88-K90 PolarHBondContact O-N 3.42Å; T88-K90 VanDerWaalsContact O-N 3.17Å
91Q91.9Very high82.2Confident103 Ų10360.3 Ų60.348%0.48133%0.331SS..EExtended strand (participates in β ladder)trans-118.4145.2-179.6-51-168.9-5.700111Q83 I84 G89Q83-Q91 CarbonylContact O-C 3.59Å; Q83-Q91 VanDerWaalsContact O-CA 3.3Å; Q83-Q91 WeakPolarHBondContact O-CA 3.16Å; I84-Q91 HydrophobicContact CG1-CG 4.02Å; I84-Q91 HydrophobicContact CG2-CG 4.28Å; G89-Q91 WeakPolarHBondContact O-CG 3.46Å; G89-Q91 PolarHBondContact O-N 2.89Å
92R86.3Confident79.5Confident57 Ų5763.8 Ų63.822%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-139.3145.5172.563.8-167.7-172.7-178.76.5111.3Y28 L29 R82 Q83Y28-R92 VanDerWaalsContact CE2-CZ 3.4Å; Y28-R92 VanDerWaalsContact CG-NH2 3.35Å; L29-R92 WeakPolarHBondContact O-CB 3.16Å; L29-R92 WeakPolarHBondContact O-CD 3.37Å; R82-R92 WeakPolarHBondContact CA-O 3.35Å; Q83-R92 HydrophobicContact CB-CG 3.88Å; Q83-R92 HydrophobicContact CG-CG 4.4Å; Q83-R92 PolarHBondContact N-O 3.45Å; Q83-R92 VanDerWaalsContact NE2-CZ 3.27Å; Q83-R92 PolarHBondContact O-N 3.14Å
93P88.4Confident76.7Confident57 Ų5760.4 Ų60.437%0.3736%0.357SS..EExtended strand (participates in β ladder)trans-59.2146.4174.3-25.835.1000113.1Y28 L29 W35Y28-P93 WeakPolarHBondContact CA-O 3.46Å; L29-P93 HydrophobicContact CB-CB 4.37Å; L29-P93 HydrophobicContact CB-CG 4.49Å; L29-P93 HydrophobicContact CD2-CG 4.14Å; L29-P93 PolarHBondContact N-O 2.82Å; W35-P93 HydrophobicContact CH2-CB 3.61Å; W35-P93 HydrophobicContact CZ2-CB 4.29Å; W35-P93 HydrophobicContact CZ3-CB 4.39Å; W35-P93 WeakPolarHBondContact CZ3-O 3.26Å
94I92.6Very high74Confident6 Ų664.1 Ų64.13%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-120.9159.2166.560.4172.8000110.4W26 F27 L76 F78 M81 Q83W26-I94 HydrophobicContact CE3-CD1 4.32Å; W26-I94 HydrophobicContact CZ3-CD1 3.93Å; W26-I94 HydrophobicContact CZ3-CG1 4.47Å; F27-I94 CarbonylContact O-C 3.59Å; F27-I94 WeakPolarHBondContact O-CA 3.43Å; F27-I94 WeakPolarHBondContact O-CB 3.38Å; L76-I94 HydrophobicContact CB-CD1 4.28Å; L76-I94 HydrophobicContact CD2-CD1 4.13Å; L76-I94 HydrophobicContact CD2-CG2 4.07Å; F78-I94 HydrophobicContact CD1-CD1 4.23Å; F78-I94 HydrophobicContact CE1-CD1 4.49Å; M81-I94 HydrophobicContact CB-CG1 4.3Å; M81-I94 HydrophobicContact CE-CG1 4.45Å; M81-I94 WeakPolarHBondContact O-CG1 3.41Å; M81-I94 PolarHBondContact O-N 3.22Å; Q83-I94 HydrophobicContact CB-CG2 3.67Å
95K85.9Confident70.9Confident40 Ų4073.9 Ų73.917%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-149.2159.2174.570.1175.6-166153.40112.9W26 F27 W35 C117W26-K95 WeakPolarHBondContact CA-O 3.03Å; F27-K95 HydrophobicContact CB-CG 3.88Å; F27-K95 HydrophobicContact CD2-CG 4.27Å; F27-K95 HydrophobicContact CG-CG 4.42Å; F27-K95 PolarHBondContact N-O 3.28Å; F27-K95 PolarHBondContact O-N 3.13Å; W35-K95 HydrophobicContact CD2-CD 3.98Å; W35-K95 HydrophobicContact CD2-CG 4.28Å; W35-K95 HydrophobicContact CE3-CD 4.03Å; W35-K95 HydrophobicContact CE3-CG 3.82Å; W35-K95 HydrophobicContact CH2-CB 4.12Å; W35-K95 HydrophobicContact CH2-CD 4.11Å; W35-K95 HydrophobicContact CH2-CG 3.99Å; W35-K95 HydrophobicContact CZ2-CD 4.09Å; W35-K95 HydrophobicContact CZ2-CG 4.47Å; W35-K95 HydrophobicContact CZ3-CB 4.1Å; W35-K95 HydrophobicContact CZ3-CD 4.11Å; W35-K95 HydrophobicContact CZ3-CG 3.66Å; K95-C117 PolarHBondContact NZ-O 3.04Å; K95-C117 PolarHBondContact NZ-SG 3.14Å
96R88.2Confident68.2Low68 Ų6883.3 Ų83.326%0.25745%0.45SS..EExtended strand (participates in β ladder)trans-113.3135.9177.2-178.4-176.3178.5-1018.6109.7W24 C25 W26 E54W24-R96 HydrophobicContact CB-CG 4.44Å; W24-R96 HydrophobicContact CD2-CG 4.37Å; W24-R96 VanDerWaalsContact CD2-NH2 3.32Å; W24-R96 VanDerWaalsContact CE2-CZ 3.44Å; W24-R96 VanDerWaalsContact CE2-NH2 3.28Å; W24-R96 HydrophobicContact CE3-CG 3.75Å; W24-R96 VanDerWaalsContact CE3-NH1 3.32Å; W24-R96 VanDerWaalsContact CG-CZ 3.43Å; W24-R96 VanDerWaalsContact CZ2-NH1 3.32Å; W24-R96 HydrophobicContact CZ3-CG 4.39Å; W24-R96 VanDerWaalsContact NE1-NH2 3.12Å; C25-R96 CarbonylContact O-C 3.55Å; C25-R96 WeakPolarHBondContact O-CA 3.44Å; W26-R96 HydrophobicContact CD2-CB 4.22Å; W26-R96 HydrophobicContact CE3-CB 4.36Å; W26-R96 HydrophobicContact CH2-CB 4.01Å; W26-R96 HydrophobicContact CZ2-CB 3.82Å; W26-R96 HydrophobicContact CZ2-CG 3.89Å; W26-R96 HydrophobicContact CZ3-CB 4.28Å; E54-R96 VanDerWaalsContact CD-NE 3.35Å; E54-R96 IonicContact OE1-CZ 3.33Å; E54-R96 IonicContact OE1-NE 3.12Å; E54-R96 PolarHBondContact OE1-NE 3.47Å; E54-R96 VanDerWaalsContact OE1-NE 3.12Å; E54-R96 IonicContact OE1-NH2 2.69Å; E54-R96 PolarHBondContact OE1-NH2 2.89Å; E54-R96 WeakPolarHBondContact OE2-CD 3.4Å; E54-R96 IonicContact OE2-CZ 3.75Å; E54-R96 IonicContact OE2-NE 2.79Å; E54-R96 PolarHBondContact OE2-NE 3.4Å; E54-R96 IonicContact OE2-NH2 3.87Å
97S71.6Confident65.6Low40 Ų4084.4 Ų84.428%0.2845%0.452SS..EExtended strand (participates in β ladder)trans-156157.9-178.8-174.10000111.9W24 C25W24-S97 VanDerWaalsContact CE3-C 3.41Å; C25-S97 WeakPolarHBondContact CA-O 3.38Å; C25-S97 PolarHBondContact N-O 3.04Å; C25-S97 PolarHBondContact O-N 3.06Å
98L68.3Low63Low72 Ų7284.2 Ų84.238%0.37745%0.453SS..EExtended strand (participates in β ladder)trans-67.5145.1179.9-68.1167000113.4P22 N23 W24P22-L98 HydrophobicContact CB-CD2 3.26Å; N23-L98 CarbonylContact O-C 3.57Å; N23-L98 WeakPolarHBondContact O-CA 3.26Å; W24-L98 HydrophobicContact CD2-CD2 3.76Å; W24-L98 HydrophobicContact CD2-CG 4.34Å; W24-L98 HydrophobicContact CE3-CD2 4.09Å; W24-L98 HydrophobicContact CE3-CG 4.15Å; W24-L98 HydrophobicContact CG-CD2 4.33Å; W24-L98 HydrophobicContact CH2-CD2 4.1Å; W24-L98 HydrophobicContact CH2-CG 4.02Å; W24-L98 HydrophobicContact CZ2-CD2 3.76Å; W24-L98 HydrophobicContact CZ2-CG 4.2Å; W24-L98 HydrophobicContact CZ3-CD2 4.26Å; W24-L98 HydrophobicContact CZ3-CG 4Å
99H52.9Low60.2Low52 Ų5289 Ų8924%0.24148%0.476CS..  trans-97.1118.4174.5-179.7-87.8000109.6N23 C25 I40N23-H99 HydrophobicContact CB-CB 3.9Å; N23-H99 PolarHBondContact ND2-ND1 2.79Å; N23-H99 VanDerWaalsContact ND2-ND1 3.18Å; N23-H99 WeakPolarHBondContact O-CB 3.48Å; N23-H99 PolarHBondContact O-N 2.86Å; C25-H99 HydrophobicContact CB-CB 4.38Å; C25-H99 VanDerWaalsContact SG-CB 3.6Å; C25-H99 PolarHBondContact SG-CD2 2.79Å; I40-H99 WeakPolarHBondContact CD1-NE2 3.45Å
100C46.7Very low57.8Low55 Ų5592.1 Ų92.137%0.37248%0.482SS..  trans-114.8116.5179.8-173.90000110.7T102 G103 F104C100-T102 PolarHBondContact O-N 3.3Å; C100-T102 PolarHBondContact SG-OG1 3.29Å; C100-G103 PolarHBondContact O-N 3.18Å; C100-G103 VanDerWaalsContact O-N 3.09Å; C100-G103 PolarHBondContact SG-N 3Å; C100-G103 VanDerWaalsContact SG-N 3.43Å; C100-F104 HydrophobicContact CB-CD2 4.21Å; C100-F104 HydrophobicContact CB-CE2 4.43Å; C100-F104 WeakPolarHBondContact O-CD2 3.3Å; C100-F104 PolarHBondContact O-N 3.33Å
101A38.6Very low55.4Low82 Ų8294.4 Ų94.468%0.67850%0.5SS*.THydrogen-bonded Turntrans-66-20.4-176.700000114.2
102T37.6Very low52.9Low131 Ų13192.2 Ų92.280%0.80450%0.499SS*.THydrogen-bonded Turntrans-101.2-15.7172.349.10000113C100C100-T102 PolarHBondContact O-N 3.3Å; C100-T102 PolarHBondContact SG-OG1 3.29Å
103G35.9Very low51Low46 Ų4691.4 Ų91.447%0.47450%0.499SS..THydrogen-bonded Turntrans-95.1-6-175.400000116C100C100-G103 PolarHBondContact O-N 3.18Å; C100-G103 VanDerWaalsContact O-N 3.09Å; C100-G103 PolarHBondContact SG-N 3Å; C100-G103 VanDerWaalsContact SG-N 3.43Å
104F38.7Very low49.2Very low80 Ų8092.1 Ų92.135%0.35150%0.503SS..SBendtrans-122.2-1.3-176.4-79.2-88.4000114.9C100 F106 I107C100-F104 HydrophobicContact CB-CD2 4.21Å; C100-F104 HydrophobicContact CB-CE2 4.43Å; C100-F104 WeakPolarHBondContact O-CD2 3.3Å; C100-F104 PolarHBondContact O-N 3.33Å; F104-F106 PolarHBondContact O-N 3.41Å; F104-I107 HydrophobicContact CD1-CD1 3.38Å; F104-I107 HydrophobicContact CD1-CG1 4.19Å; F104-I107 HydrophobicContact CE1-CD1 3.57Å; F104-I107 HydrophobicContact CG-CD1 4.32Å; F104-I107 PolarHBondContact O-N 3.27Å
105R30.2Very low47.1Very low224 Ų22494.5 Ų94.585%0.84552%0.518SS*.THydrogen-bonded Turntrans-785.5-178.7-141.5167-180144.5-1.4114.7
106F35.2Very low45.5Very low207 Ų20793.4 Ų93.491%0.90852%0.515SS*.THydrogen-bonded Turntrans-122.315.8172.2-83.4-76000114.3F104F104-F106 PolarHBondContact O-N 3.41Å
107I38.4Very low43.2Very low102 Ų10292.8 Ų92.852%0.52352%0.521SS..SBendtrans-97.7114.5172.7-47.5-167.7000108F104F104-I107 HydrophobicContact CD1-CD1 3.38Å; F104-I107 HydrophobicContact CD1-CG1 4.19Å; F104-I107 HydrophobicContact CE1-CD1 3.57Å; F104-I107 HydrophobicContact CG-CD1 4.32Å; F104-I107 PolarHBondContact O-N 3.27Å
108C32.1Very low42Very low96 Ų9693.5 Ų93.565%0.64952%0.519SS*.SBendtrans87.666.5176.2-57.20000117.4
109D29.2Very low41.5Very low175 Ų17591.2 Ų91.294%0.93651%0.506SS*.SBend-125.12.3127.8-97.4-20.6000113.1
110N37.3Very low41.3Very low112 Ų11294 Ų9460%0.59952%0.519SS*.  trans-120.495172.3-137.6-25.8000110.3A112N110-A112 PolarHBondContact O-N 3.16Å
111L37.9Very low41.7Very low178 Ų178101.7 Ų101.793%0.93254%0.54SS*.THydrogen-bonded Turntrans-616.5-178-133.179.6000114.7
112A39.4Very low42.9Very low57 Ų57100.9 Ų100.947%0.47152%0.524SS..THydrogen-bonded Turntrans-112.3-11.6-162.400000115.6N110N110-A112 PolarHBondContact O-N 3.16Å
113L45.7Very low44.3Very low39 Ų3997.5 Ų97.520%0.20450%0.501CS..  trans-135.594.7-170.8-61.2170.7000112V115 E168 C171 R172L113-V115 PolarHBondContact O-N 2.69Å; L113-E168 HydrophobicContact CD1-CB 4.13Å; L113-E168 HydrophobicContact CD1-CG 3.46Å; L113-E168 VanDerWaalsContact CD1-CG 3.46Å; L113-E168 WeakPolarHBondContact CD1-OE1 3.48Å; L113-E168 HydrophobicContact CD2-CG 4.34Å; L113-C171 HydrophobicContact CD2-CB 3.49Å; L113-C171 VanDerWaalsContact CD2-CB 3.49Å; L113-R172 HydrophobicContact CD2-CG 3.75Å
114P50.7Low45.9Very low72 Ų72100.7 Ų100.747%0.46851%0.511SS..  trans-77.7109.917530-30.4000109.7W167P114-W167 PolarHBondContact O-NE1 2.91Å
115V49Very low47.7Very low56 Ų56103.7 Ų103.734%0.33953%0.531SS..  trans-64.5139.8165.6179.90000108.7L113 C117 W119 I122 L164L113-V115 PolarHBondContact O-N 2.69Å; V115-C117 PolarHBondContact O-N 3.18Å; V115-W119 HydrophobicContact CG1-CD2 4.08Å; V115-W119 HydrophobicContact CG1-CE3 3.81Å; V115-W119 HydrophobicContact CG1-CG 4.42Å; V115-W119 HydrophobicContact CG1-CZ3 4.28Å; V115-I122 HydrophobicContact CG1-CD1 3.91Å; V115-L164 HydrophobicContact CG2-CD1 3.69Å
116P52.1Low50.1Low18 Ų1898.5 Ų98.512%0.11752%0.516CS..  trans-62.2129.1-177.9-20.734.7000110.3H118 W119 W167P116-H118 WeakPolarHBondContact CB-CE1 3.29Å; P116-H118 PolarHBondContact O-N 2.72Å; P116-W119 HydrophobicContact CB-CG 4.47Å; P116-W119 HydrophobicContact CG-CZ2 4.07Å; P116-W119 PolarHBondContact O-N 2.68Å; P116-W167 VanDerWaalsContact CD-CE2 3.47Å; P116-W167 HydrophobicContact CG-CD2 3.93Å; P116-W167 HydrophobicContact CG-CE3 4.15Å; P116-W167 HydrophobicContact CG-CH2 3.7Å; P116-W167 HydrophobicContact CG-CZ2 3.45Å; P116-W167 VanDerWaalsContact CG-CZ2 3.45Å; P116-W167 HydrophobicContact CG-CZ3 4.04Å
117C39.8Very low52.3Low55 Ų5591.4 Ų91.437%0.37249%0.491SS..THydrogen-bonded Turntrans-66.1-5.2-172.473.30000114.6W35 K95 V115W35-C117 HydrophobicContact CB-CB 4.46Å; W35-C117 HydrophobicContact CG-CB 4.2Å; W35-C117 PolarHBondContact NE1-SG 3.39Å; W35-C117 VanDerWaalsContact NE1-SG 3.39Å; K95-C117 PolarHBondContact NZ-O 3.04Å; K95-C117 PolarHBondContact NZ-SG 3.14Å; V115-C117 PolarHBondContact O-N 3.18Å
118H46.3Very low54.8Low54 Ų5487.9 Ų87.925%0.2547%0.471CS..THydrogen-bonded Turntrans-95.7-3.6178.362.9-98.7000112.4P116 E139 R160 E321P116-H118 WeakPolarHBondContact CB-CE1 3.29Å; P116-H118 PolarHBondContact O-N 2.72Å; H118-E139 IonicContact CD2-OE1 3.78Å; H118-E139 PolarHBondContact CD2-OE1 2.78Å; H118-E139 IonicContact CG-OE1 3.49Å; H118-E139 IonicContact NE2-OE1 3.66Å; H118-R160 WeakPolarHBondContact CD2-CD 3.43Å; H118-R160 WeakPolarHBondContact NE2-CD 3.41Å; H118-R160 PolarHBondContact O-NH1 2.7Å; H118-R160 PolarHBondContact O-NH2 3.06Å; H118-E321 IonicContact CE1-OE1 3.08Å; H118-E321 IonicContact NE2-OE1 2.78Å
119W57.1Low57.4Low24 Ų2485.1 Ų85.19%0.09145%0.449CS..  trans-71.5142176.5-72.720000111.8V115 P116 I122 Q162 N163 L164 W167 Y319V115-W119 HydrophobicContact CG1-CD2 4.08Å; V115-W119 HydrophobicContact CG1-CE3 3.81Å; V115-W119 HydrophobicContact CG1-CG 4.42Å; V115-W119 HydrophobicContact CG1-CZ3 4.28Å; P116-W119 HydrophobicContact CB-CG 4.47Å; P116-W119 HydrophobicContact CG-CZ2 4.07Å; P116-W119 PolarHBondContact O-N 2.68Å; W119-I122 HydrophobicContact CB-CD1 4.18Å; W119-I122 HydrophobicContact CB-CG1 4.27Å; W119-I122 HydrophobicContact CE3-CD1 3.62Å; W119-I122 HydrophobicContact CE3-CG1 3.95Å; W119-I122 HydrophobicContact CZ3-CD1 4.4Å; W119-Q162 HydrophobicContact CB-CG 4.37Å; W119-Q162 HydrophobicContact CD2-CB 4.04Å; W119-Q162 HydrophobicContact CD2-CG 3.71Å; W119-Q162 HydrophobicContact CE3-CB 3.8Å; W119-Q162 HydrophobicContact CE3-CG 3.97Å; W119-Q162 HydrophobicContact CG-CG 3.87Å; W119-Q162 HydrophobicContact CZ3-CB 4.05Å; W119-N163 WeakPolarHBondContact CH2-O 3.17Å; W119-L164 HydrophobicContact CZ3-CB 4.46Å; W119-L164 HydrophobicContact CZ3-CD1 4.34Å; W119-W167 HydrophobicContact CH2-CB 3.64Å; W119-W167 HydrophobicContact CH2-CG 4.01Å; W119-W167 HydrophobicContact CZ2-CB 4.16Å; W119-W167 HydrophobicContact CZ2-CD2 4.33Å; W119-W167 HydrophobicContact CZ2-CE3 4.42Å; W119-W167 HydrophobicContact CZ2-CG 4.19Å; W119-Y319 AromaticContact CH2-CZ 3.94Å; W119-Y319 WeakPolarHBondContact CH2-OH 3.36Å; W119-Y319 AromaticContact CZ2-CE1 3.98Å; W119-Y319 HydrophobicContact CZ2-CE1 3.98Å; W119-Y319 AromaticContact CZ2-CZ 3.59Å; W119-Y319 WeakPolarHBondContact CZ2-OH 3.36Å
120E50.6Low60.3Low112 Ų11278.9 Ų78.952%0.52342%0.416SS..  trans-124.8137.5-175.1-68174.4-144.400110.2I122 R160 Q162E120-I122 PolarHBondContact O-N 3.32Å; E120-R160 IonicContact OE1-NH2 3.76Å; E120-Q162 PolarHBondContact O-NE2 3.01Å; E120-Q162 PolarHBondContact O-OE1 2.83Å
121R54.3Low62.7Low215 Ų21575.3 Ų75.381%0.81140%0.396SS*.SBendtrans46.252.6170.5-59.9-179176.9-176.6-2.6114N123 Q129R121-N123 PolarHBondContact O-N 2.97Å; R121-N123 VanDerWaalsContact O-N 3.13Å; R121-Q129 PolarHBondContact O-NE2 2.67Å; R121-Q129 PolarHBondContact O-OE1 2.9Å
122I62.9Low65.1Low65 Ų6573.6 Ų73.633%0.33338%0.383SS..  trans-59.9115.1178.2-56.3171.4000109V115 W119 E120 Q129V115-I122 HydrophobicContact CG1-CD1 3.91Å; W119-I122 HydrophobicContact CB-CD1 4.18Å; W119-I122 HydrophobicContact CB-CG1 4.27Å; W119-I122 HydrophobicContact CE3-CD1 3.62Å; W119-I122 HydrophobicContact CE3-CG1 3.95Å; W119-I122 HydrophobicContact CZ3-CD1 4.4Å; E120-I122 PolarHBondContact O-N 3.32Å; I122-Q129 VanDerWaalsContact CA-OE1 3.28Å
123N66.9Low67.1Low61 Ų6171.5 Ų71.533%0.32636%0.364SS..  trans-89.2116.1170-176.5-3000108.4R121 D125 E126 Q129R121-N123 PolarHBondContact O-N 2.97Å; R121-N123 VanDerWaalsContact O-N 3.13Å; N123-D125 VanDerWaalsContact C-N 3.32Å; N123-D125 WeakPolarHBondContact OD1-CB 3.35Å; N123-D125 PolarHBondContact OD1-N 3.49Å; N123-E126 WeakPolarHBondContact ND2-CG 3.48Å; N123-Q129 HydrophobicContact CB-CG 4.24Å; N123-Q129 VanDerWaalsContact CB-NE2 3.28Å; N123-Q129 VanDerWaalsContact N-CD 3.33Å
124T71.2Confident68.6Low112 Ų11271.1 Ų71.169%0.68737%0.369SS*.SBendtrans-82.4-9.6-18051.50000113.7
125D76.1Confident70.3Confident144 Ų14475 Ų7577%0.7738%0.375SS*.SBendtrans-86.4-16.6179.6-58-31000112.2N123N123-D125 VanDerWaalsContact C-N 3.32Å; N123-D125 WeakPolarHBondContact OD1-CB 3.35Å; N123-D125 PolarHBondContact OD1-N 3.49Å
126E78.9Confident71.3Confident114 Ų11478.3 Ų78.353%0.53339%0.391SS..SBendtrans-105.2144.3177.6-68.6-68.9166.300110.7N123 Y128N123-E126 WeakPolarHBondContact ND2-CG 3.48Å; E126-Y128 PolarHBondContact O-N 3.18Å
127P83.3Confident72.1Confident59 Ų5979.8 Ų79.838%0.38340%0.4SS..SBendtrans-66.1-27.1-178.326.4-34000112.9N163 T205P127-N163 PolarHBondContact O-ND2 2.89Å; P127-T205 HydrophobicContact CB-CG2 4.02Å; P127-T205 HydrophobicContact CG-CG2 4.34Å
128Y90.3Very high73.5Confident27 Ų2785.9 Ų85.911%0.10642%0.416CS..  trans-160.5162.6172.371.7-83.1000111.1E126 L130 I161 Q162 C204 T205E126-Y128 PolarHBondContact O-N 3.18Å; Y128-L130 HydrophobicContact CD2-CD2 4.15Å; Y128-L130 HydrophobicContact CD2-CG 4.23Å; Y128-L130 HydrophobicContact CE2-CD1 4.25Å; Y128-L130 HydrophobicContact CE2-CD2 3.99Å; Y128-L130 HydrophobicContact CE2-CG 3.83Å; Y128-I161 HydrophobicContact CD2-CG2 4.48Å; Y128-Q162 CarbonylContact C-O 3.55Å; Y128-Q162 VanDerWaalsContact CA-O 3.23Å; Y128-Q162 WeakPolarHBondContact CA-O 3.42Å; Y128-C204 HydrophobicContact CD1-CB 3.83Å; Y128-C204 HydrophobicContact CD2-CB 3.66Å; Y128-C204 HydrophobicContact CE1-CB 3.67Å; Y128-C204 HydrophobicContact CE2-CB 3.48Å; Y128-C204 VanDerWaalsContact CE2-CB 3.48Å; Y128-C204 HydrophobicContact CG-CB 3.84Å; Y128-C204 VanDerWaalsContact CZ-CB 3.5Å; Y128-T205 VanDerWaalsContact CE1-OG1 3.28Å; Y128-T205 WeakPolarHBondContact CE1-OG1 3.33Å
129Q87.3Confident75.1Confident39 Ų3984.9 Ų84.918%0.18241%0.411CS..EExtended strand (participates in β ladder)trans-124.3152.6169.1-63.8167.5-66.500111.2R121 I122 N123 I131 I161 Q162R121-Q129 PolarHBondContact O-NE2 2.67Å; R121-Q129 PolarHBondContact O-OE1 2.9Å; I122-Q129 VanDerWaalsContact CA-OE1 3.28Å; N123-Q129 HydrophobicContact CB-CG 4.24Å; N123-Q129 VanDerWaalsContact CB-NE2 3.28Å; N123-Q129 VanDerWaalsContact N-CD 3.33Å; Q129-I131 HydrophobicContact CB-CD1 4.26Å; Q129-I161 WeakPolarHBondContact O-CA 3.37Å; Q129-Q162 HydrophobicContact CB-CB 4.44Å; Q129-Q162 PolarHBondContact N-O 3.43Å; Q129-Q162 PolarHBondContact O-N 2.88Å
130L90.3Very high76.5Confident44 Ų4484.5 Ų84.523%0.2341%0.41CS..EExtended strand (participates in β ladder)trans-109.5118169.7-61.2177.1000109.2Y128 Q159 R160 I161Y128-L130 HydrophobicContact CD2-CD2 4.15Å; Y128-L130 HydrophobicContact CD2-CG 4.23Å; Y128-L130 HydrophobicContact CE2-CD1 4.25Å; Y128-L130 HydrophobicContact CE2-CD2 3.99Å; Y128-L130 HydrophobicContact CE2-CG 3.83Å; L130-Q159 HydrophobicContact CB-CB 4.32Å; L130-Q159 VanDerWaalsContact CB-OE1 3.29Å; L130-R160 WeakPolarHBondContact CA-O 3.12Å; L130-I161 HydrophobicContact CD2-CB 4.34Å; L130-I161 HydrophobicContact CD2-CG1 3.55Å
131I85.7Confident77.9Confident37 Ų3784.8 Ų84.819%0.1941%0.41CS..EExtended strand (participates in β ladder)trans-107.1109.5178.8-50.7-55.9000108.4Q129 L133 Q159 R160 Q162Q129-I131 HydrophobicContact CB-CD1 4.26Å; I131-L133 PolarHBondContact O-N 3.23Å; I131-Q159 CarbonylContact O-C 3.43Å; I131-Q159 WeakPolarHBondContact O-CA 3.49Å; I131-R160 HydrophobicContact CB-CB 4.44Å; I131-R160 PolarHBondContact N-O 2.97Å; I131-R160 PolarHBondContact O-N 3.16Å; I131-Q162 HydrophobicContact CG1-CG 4.1Å
132Q89.9Confident79.3Confident141 Ų14177.7 Ų77.766%0.65939%0.386SS*.EExtended strand (participates in β ladder)trans-67.5125.4176.4-176.5171.3-35.100110.5Q159Q132-Q159 HydrophobicContact CB-CG 4.44Å
133L81.3Confident80.4Confident13 Ų1374.9 Ų74.97%0.06837%0.372CS..PPolyproline II helixtrans-81.7139.6-179.8-57.4-175.3000111.6I131 E139 F140 I158 R160 Y322I131-L133 PolarHBondContact O-N 3.23Å; L133-E139 HydrophobicContact CD1-CB 4.3Å; L133-E139 HydrophobicContact CD1-CG 3.76Å; L133-E139 WeakPolarHBondContact CD2-OE2 3.27Å; L133-F140 HydrophobicContact CB-CB 4.17Å; L133-F140 HydrophobicContact CB-CD2 4.16Å; L133-I158 HydrophobicContact CD1-CB 4.36Å; L133-I158 HydrophobicContact CD1-CG2 3.81Å; L133-I158 HydrophobicContact CG-CG2 4.47Å; L133-I158 PolarHBondContact N-O 3.2Å; L133-R160 HydrophobicContact CD2-CB 3.97Å; L133-R160 HydrophobicContact CG-CB 4.47Å; L133-Y322 HydrophobicContact CD1-CD1 4.14Å; L133-Y322 HydrophobicContact CD1-CE1 3.9Å
134G77.1Confident81.5Confident31 Ų3172.4 Ų72.432%0.3236%0.36SS..PPolyproline II helixtrans-68.9134.4169.800000111.5D136 T137 F140G134-D136 PolarHBondContact O-N 3.06Å; G134-T137 WeakPolarHBondContact O-CB 3.49Å; G134-T137 WeakPolarHBondContact O-CG2 3.39Å; G134-T137 PolarHBondContact O-N 3.23Å; G134-T137 PolarHBondContact O-OG1 3.09Å; G134-F140 WeakPolarHBondContact O-CB 3.47Å
135R85.2Confident82.5Confident154 Ų15472.8 Ų72.858%0.58135%0.349SS*.THydrogen-bonded Turntrans-61.7-24.2-177.1-70.2-177.8172-113.9-6.6113.8F140 I155 K156R135-F140 HydrophobicContact CB-CD1 4.47Å; R135-F140 HydrophobicContact CB-CE1 4.39Å; R135-F140 HydrophobicContact CB-CZ 4.5Å; R135-F140 HydrophobicContact CG-CD2 4.41Å; R135-F140 HydrophobicContact CG-CE1 4.23Å; R135-F140 HydrophobicContact CG-CE2 3.94Å; R135-F140 HydrophobicContact CG-CZ 3.87Å; R135-I155 PolarHBondContact NH2-O 3.27Å; R135-K156 PolarHBondContact NH2-O 3.43Å
136D71.6Confident83.1Confident125 Ų12567.5 Ų67.567%0.66832%0.32SS*.THydrogen-bonded Turntrans-83-17178.861.7-36.9000113.4G134 K141G134-D136 PolarHBondContact O-N 3.06Å; D136-K141 WeakPolarHBondContact O-CE 3.38Å; D136-K141 PolarHBondContact O-NZ 3.35Å
137T68.5Low84Confident50 Ų5062 Ų6231%0.30730%0.295SS..SBendtrans-66.5150.1-179.469.70000112.4G134 E139 F140 K141G134-T137 WeakPolarHBondContact O-CB 3.49Å; G134-T137 WeakPolarHBondContact O-CG2 3.39Å; G134-T137 PolarHBondContact O-N 3.23Å; G134-T137 PolarHBondContact O-OG1 3.09Å; T137-E139 VanDerWaalsContact C-N 3.28Å; T137-E139 PolarHBondContact O-N 3.1Å; T137-F140 VanDerWaalsContact OG1-CB 3.29Å; T137-F140 WeakPolarHBondContact OG1-CB 3.4Å; T137-F140 PolarHBondContact OG1-N 2.75Å; T137-F140 VanDerWaalsContact OG1-N 3.16Å; T137-K141 WeakPolarHBondContact O-CG 3.48Å; T137-K141 PolarHBondContact O-N 3.22Å
138Y68.4Low84.7Confident182 Ų18263.7 Ų63.771%0.71430%0.3SS*.Hα-helixtrans-61.1-39.7173.6176.9-94.3000111.7K141 E142Y138-K141 PolarHBondContact O-N 3.09Å; Y138-E142 PolarHBondContact O-N 2.66Å
139E79.7Confident85Confident33 Ų3370 Ų7015%0.15432%0.324CS..Hα-helixtrans-60.6-49.7-179.8-170.4178.9-165.900111.9H118 L133 T137 K141 E142 V143 R160 Y322H118-E139 IonicContact CD2-OE1 3.78Å; H118-E139 PolarHBondContact CD2-OE1 2.78Å; H118-E139 IonicContact CG-OE1 3.49Å; H118-E139 IonicContact NE2-OE1 3.66Å; L133-E139 HydrophobicContact CD1-CB 4.3Å; L133-E139 HydrophobicContact CD1-CG 3.76Å; L133-E139 WeakPolarHBondContact CD2-OE2 3.27Å; T137-E139 VanDerWaalsContact C-N 3.28Å; T137-E139 PolarHBondContact O-N 3.1Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 2.91Å; E139-E142 PolarHBondContact O-N 3.1Å; E139-V143 PolarHBondContact O-N 3.19Å; E139-R160 WeakPolarHBondContact OE1-CD 3.24Å; E139-R160 IonicContact OE1-NH1 3.45Å; E139-R160 PolarHBondContact OE1-NH1 3.3Å; E139-R160 IonicContact OE2-NH1 2.66Å; E139-R160 PolarHBondContact OE2-NH1 3.5Å; E139-Y322 HydrophobicContact CG-CE1 4.05Å; E139-Y322 WeakPolarHBondContact CG-OH 3.3Å; E139-Y322 WeakPolarHBondContact OE1-CE1 3.04Å; E139-Y322 PolarHBondContact OE1-OH 2.94Å
140F88Confident85.5Confident16 Ų1670 Ų707%0.0733%0.327CS..Hα-helixtrans-56.8-48.1174.8-178.9-77.8000111.2L133 G134 R135 T137 E142 V143 A144 I155 I158L133-F140 HydrophobicContact CB-CB 4.17Å; L133-F140 HydrophobicContact CB-CD2 4.16Å; G134-F140 WeakPolarHBondContact O-CB 3.47Å; R135-F140 HydrophobicContact CB-CD1 4.47Å; R135-F140 HydrophobicContact CB-CE1 4.39Å; R135-F140 HydrophobicContact CB-CZ 4.5Å; R135-F140 HydrophobicContact CG-CD2 4.41Å; R135-F140 HydrophobicContact CG-CE1 4.23Å; R135-F140 HydrophobicContact CG-CE2 3.94Å; R135-F140 HydrophobicContact CG-CZ 3.87Å; T137-F140 VanDerWaalsContact OG1-CB 3.29Å; T137-F140 WeakPolarHBondContact OG1-CB 3.4Å; T137-F140 PolarHBondContact OG1-N 2.75Å; T137-F140 VanDerWaalsContact OG1-N 3.16Å; F140-E142 VanDerWaalsContact C-N 3.27Å; F140-E142 PolarHBondContact O-N 2.66Å; F140-V143 PolarHBondContact O-N 3.47Å; F140-A144 HydrophobicContact CD1-CB 4.23Å; F140-A144 HydrophobicContact CE1-CB 3.96Å; F140-A144 VanDerWaalsContact O-CB 3.3Å; F140-A144 WeakPolarHBondContact O-CB 3.16Å; F140-A144 PolarHBondContact O-N 2.92Å; F140-I155 HydrophobicContact CE2-CG2 4.42Å; F140-I155 HydrophobicContact CZ-CG2 4.08Å; F140-I158 HydrophobicContact CD1-CD1 4.3Å; F140-I158 HydrophobicContact CD2-CB 3.93Å; F140-I158 HydrophobicContact CD2-CD1 3.62Å; F140-I158 HydrophobicContact CD2-CG1 3.89Å; F140-I158 HydrophobicContact CE1-CD1 4.21Å; F140-I158 HydrophobicContact CE2-CB 3.99Å; F140-I158 HydrophobicContact CE2-CD1 3.53Å; F140-I158 HydrophobicContact CE2-CG1 3.57Å; F140-I158 HydrophobicContact CG-CD1 3.99Å; F140-I158 HydrophobicContact CZ-CD1 3.82Å; F140-I158 HydrophobicContact CZ-CG1 4.17Å
141K78.3Confident85.8Confident118 Ų11868.5 Ų68.551%0.51332%0.319SS..Hα-helixtrans-61.1-35.8-177.3-73.8167.8178.8160.20112.3D136 T137 Y138 E139 R145D136-K141 WeakPolarHBondContact O-CE 3.38Å; D136-K141 PolarHBondContact O-NZ 3.35Å; T137-K141 WeakPolarHBondContact O-CG 3.48Å; T137-K141 PolarHBondContact O-N 3.22Å; Y138-K141 PolarHBondContact O-N 3.09Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 2.91Å; K141-R145 VanDerWaalsContact O-CB 3.26Å; K141-R145 WeakPolarHBondContact O-CB 3.24Å; K141-R145 PolarHBondContact O-N 2.97Å
142E83.6Confident86.2Confident67 Ų6772.4 Ų72.431%0.31334%0.34SS..Hα-helixtrans-73.3-40.9178.9-174.161.4178.200112.3Y138 E139 F140 R145 L146Y138-E142 PolarHBondContact O-N 2.66Å; E139-E142 PolarHBondContact O-N 3.1Å; F140-E142 VanDerWaalsContact C-N 3.27Å; F140-E142 PolarHBondContact O-N 2.66Å; E142-R145 PolarHBondContact O-N 3.09Å; E142-R145 IonicContact OE1-CZ 3.62Å; E142-R145 IonicContact OE1-NE 3.57Å; E142-R145 IonicContact OE1-NH2 2.79Å; E142-R145 PolarHBondContact OE1-NH2 3.04Å; E142-R145 IonicContact OE2-CZ 3.61Å; E142-R145 IonicContact OE2-NE 2.79Å; E142-R145 PolarHBondContact OE2-NE 2.71Å; E142-R145 IonicContact OE2-NH2 3.55Å; E142-L146 WeakPolarHBondContact O-CG 3.19Å; E142-L146 PolarHBondContact O-N 2.91Å; E142-L146 VanDerWaalsContact O-N 3.13Å
143V86.1Confident86.4Confident5 Ų569.6 Ų69.63%0.0333%0.327CS..Hα-helixtrans-64.1-45.1173.5178.40000110.7E139 F140 R145 L146 Y147 I158 L268 Y322 I324E139-V143 PolarHBondContact O-N 3.19Å; F140-V143 PolarHBondContact O-N 3.47Å; V143-R145 PolarHBondContact O-N 2.65Å; V143-L146 PolarHBondContact O-N 3.17Å; V143-Y147 PolarHBondContact O-N 3.12Å; V143-Y147 VanDerWaalsContact O-N 3.09Å; V143-I158 HydrophobicContact CB-CD1 3.86Å; V143-I158 HydrophobicContact CB-CG2 4.29Å; V143-I158 HydrophobicContact CG1-CD1 3.74Å; V143-I158 HydrophobicContact CG1-CG1 4.45Å; V143-I158 HydrophobicContact CG1-CG2 3.88Å; V143-L268 HydrophobicContact CB-CD2 4.39Å; V143-L268 HydrophobicContact CG1-CD2 3.78Å; V143-L268 HydrophobicContact CG2-CD2 4.23Å; V143-Y322 HydrophobicContact CG2-CD1 4.14Å; V143-Y322 HydrophobicContact CG2-CD2 3.69Å; V143-Y322 HydrophobicContact CG2-CE1 4.15Å; V143-Y322 HydrophobicContact CG2-CE2 3.65Å; V143-Y322 HydrophobicContact CG2-CG 3.93Å; V143-I324 HydrophobicContact CG1-CD1 3.66Å; V143-I324 HydrophobicContact CG1-CG1 3.97Å
144A91.4Very high87.1Confident9 Ų972.8 Ų72.87%0.07435%0.348CS..Hα-helixtrans-59.3-45.517600000111.4F140 L146 Y147 D148 I155 I158F140-A144 HydrophobicContact CD1-CB 4.23Å; F140-A144 HydrophobicContact CE1-CB 3.96Å; F140-A144 VanDerWaalsContact O-CB 3.3Å; F140-A144 WeakPolarHBondContact O-CB 3.16Å; F140-A144 PolarHBondContact O-N 2.92Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.18Å; A144-Y147 WeakPolarHBondContact O-CB 3.16Å; A144-Y147 PolarHBondContact O-N 2.78Å; A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 2.7Å; A144-I155 HydrophobicContact CB-CD1 3.77Å; A144-I158 HydrophobicContact CB-CD1 4.39Å
145R91.3Very high88.1Confident120 Ų12072.2 Ų72.245%0.45334%0.337SS..Hα-helixtrans-56.8-41.3176.4-171.7-169.469.479.5-0.7112.2K141 E142 V143 R149K141-R145 VanDerWaalsContact O-CB 3.26Å; K141-R145 WeakPolarHBondContact O-CB 3.24Å; K141-R145 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 3.09Å; E142-R145 IonicContact OE1-CZ 3.62Å; E142-R145 IonicContact OE1-NE 3.57Å; E142-R145 IonicContact OE1-NH2 2.79Å; E142-R145 PolarHBondContact OE1-NH2 3.04Å; E142-R145 IonicContact OE2-CZ 3.61Å; E142-R145 IonicContact OE2-NE 2.79Å; E142-R145 PolarHBondContact OE2-NE 2.71Å; E142-R145 IonicContact OE2-NH2 3.55Å; V143-R145 PolarHBondContact O-N 2.65Å; R145-R149 WeakPolarHBondContact O-CG 3.41Å; R145-R149 PolarHBondContact O-N 3.43Å
146L89.6Confident88.6Confident33 Ų3367.8 Ų67.817%0.17332%0.323CS..Hα-helixtrans-66.3-39.8176.9-69.2174.1000112.1E142 V143 A144 M190 F192 L268E142-L146 WeakPolarHBondContact O-CG 3.19Å; E142-L146 PolarHBondContact O-N 2.91Å; E142-L146 VanDerWaalsContact O-N 3.13Å; V143-L146 PolarHBondContact O-N 3.17Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.18Å; L146-M190 HydrophobicContact CD1-CB 4.09Å; L146-F192 HydrophobicContact CB-CZ 4.04Å; L146-L268 HydrophobicContact CD1-CD2 3.92Å
147Y97.9Very high89.8Confident0 Ų062.1 Ų62.10%029%0.293CS..Hα-helixtrans-67.1-51.2178.7176.1-85.8000111.6V143 A144 R149 T150 M151 H153 I155 F192 A230 M266 I324 F326V143-Y147 PolarHBondContact O-N 3.12Å; V143-Y147 VanDerWaalsContact O-N 3.09Å; A144-Y147 WeakPolarHBondContact O-CB 3.16Å; A144-Y147 PolarHBondContact O-N 2.78Å; Y147-R149 PolarHBondContact O-N 3.45Å; Y147-R149 VanDerWaalsContact O-N 3.09Å; Y147-T150 PolarHBondContact O-N 3.47Å; Y147-M151 HydrophobicContact CD1-CB 3.75Å; Y147-M151 HydrophobicContact CD1-CG 4.46Å; Y147-M151 HydrophobicContact CD2-CB 4.33Å; Y147-M151 HydrophobicContact CD2-CG 4.17Å; Y147-M151 HydrophobicContact CE1-CB 3.32Å; Y147-M151 HydrophobicContact CE1-CG 4.07Å; Y147-M151 HydrophobicContact CE2-CB 4Å; Y147-M151 HydrophobicContact CE2-CE 4.14Å; Y147-M151 HydrophobicContact CE2-CG 3.78Å; Y147-M151 HydrophobicContact CG-CB 4.22Å; Y147-M151 HydrophobicContact CG-CG 4.5Å; Y147-M151 VanDerWaalsContact CZ-CB 3.47Å; Y147-M151 WeakPolarHBondContact O-CB 3.37Å; Y147-M151 PolarHBondContact O-N 3.29Å; Y147-M151 WeakPolarHBondContact OH-CE 3.5Å; Y147-H153 VanDerWaalsContact CE1-O 3.24Å; Y147-H153 WeakPolarHBondContact CE1-O 3.18Å; Y147-H153 PolarHBondContact OH-O 3.09Å; Y147-I155 HydrophobicContact CD1-CD1 3.68Å; Y147-I155 HydrophobicContact CD1-CG1 3.69Å; Y147-I155 HydrophobicContact CE1-CD1 4.23Å; Y147-I155 HydrophobicContact CE1-CG1 3.7Å; Y147-I155 HydrophobicContact CG-CD1 4.01Å; Y147-I155 HydrophobicContact CG-CG1 4.25Å; Y147-F192 HydrophobicContact CD2-CE1 4.38Å; Y147-A230 HydrophobicContact CD2-CB 3.94Å; Y147-A230 HydrophobicContact CE2-CB 4.44Å; Y147-A230 HydrophobicContact CG-CB 4.48Å; Y147-M266 HydrophobicContact CD2-SD 4.14Å; Y147-M266 HydrophobicContact CE2-CE 4.11Å; Y147-M266 HydrophobicContact CE2-SD 4.06Å; Y147-I324 HydrophobicContact CD2-CD1 4.29Å; Y147-I324 HydrophobicContact CD2-CG2 4.04Å; Y147-I324 HydrophobicContact CE2-CG2 4.11Å; Y147-F326 HydrophobicContact CE2-CB 4.45Å; Y147-F326 HydrophobicContact CE2-CD1 4.17Å; Y147-F326 HydrophobicContact CE2-CG 4.18Å; Y147-F326 VanDerWaalsContact OH-CB 3.24Å; Y147-F326 WeakPolarHBondContact OH-CB 3.46Å; Y147-F326 WeakPolarHBondContact OH-CD2 3.2Å; Y147-F326 WeakPolarHBondContact OH-CG 3.5Å
148D97.6Very high91.1Very high94 Ų9459.8 Ų59.850%0.50328%0.278SS..Hα-helixtrans-65-15.8-175.7-66.3-24.6000113.4A144 T150A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 2.7Å; D148-T150 PolarHBondContact O-N 3.25Å; D148-T150 VanDerWaalsContact O-N 3.16Å
149R96.8Very high92.4Very high159 Ų15952.4 Ų52.460%0.625%0.251SS*.THydrogen-bonded Turntrans-56.7-30.1173.9-82.1175.168.9-179.92.1113.2R145 Y147R145-R149 WeakPolarHBondContact O-CG 3.41Å; R145-R149 PolarHBondContact O-N 3.43Å; Y147-R149 PolarHBondContact O-N 3.45Å; Y147-R149 VanDerWaalsContact O-N 3.09Å
150T97.8Very high93Very high40 Ų4050.9 Ų50.925%0.24524%0.244CC..THydrogen-bonded Turntrans-136.5-19-174.665.20000113.9Y147 D148 D229 A230 K231Y147-T150 PolarHBondContact O-N 3.47Å; D148-T150 PolarHBondContact O-N 3.25Å; D148-T150 VanDerWaalsContact O-N 3.16Å; T150-D229 HydrophobicContact CG2-CB 3.79Å; T150-A230 PolarHBondContact OG1-N 3.34Å; T150-A230 VanDerWaalsContact OG1-N 3.1Å; T150-K231 WeakPolarHBondContact O-CB 3.24Å; T150-K231 VanDerWaalsContact O-CD 3.3Å; T150-K231 WeakPolarHBondContact O-CD 3.23Å; T150-K231 PolarHBondContact OG1-N 3.19Å
151M96.9Very high93.3Very high12 Ų1250.1 Ų50.16%0.05924%0.24CC..  trans-96.1144.7177.8-75-68.8-75.200111.7Y147 H153 A230 K231 M266 F326Y147-M151 HydrophobicContact CD1-CB 3.75Å; Y147-M151 HydrophobicContact CD1-CG 4.46Å; Y147-M151 HydrophobicContact CD2-CB 4.33Å; Y147-M151 HydrophobicContact CD2-CG 4.17Å; Y147-M151 HydrophobicContact CE1-CB 3.32Å; Y147-M151 HydrophobicContact CE1-CG 4.07Å; Y147-M151 HydrophobicContact CE2-CB 4Å; Y147-M151 HydrophobicContact CE2-CE 4.14Å; Y147-M151 HydrophobicContact CE2-CG 3.78Å; Y147-M151 HydrophobicContact CG-CB 4.22Å; Y147-M151 HydrophobicContact CG-CG 4.5Å; Y147-M151 VanDerWaalsContact CZ-CB 3.47Å; Y147-M151 WeakPolarHBondContact O-CB 3.37Å; Y147-M151 PolarHBondContact O-N 3.29Å; Y147-M151 WeakPolarHBondContact OH-CE 3.5Å; M151-H153 HydrophobicContact CE-CB 4Å; M151-A230 HydrophobicContact CB-CB 4.46Å; M151-A230 HydrophobicContact CG-CB 3.41Å; M151-A230 VanDerWaalsContact CG-CB 3.41Å; M151-K231 HydrophobicContact CG-CB 4.4Å; M151-K231 WeakPolarHBondContact SD-CA 3.26Å; M151-K231 HydrophobicContact SD-CB 3.83Å; M151-K231 HydrophobicContact SD-CG 4.31Å; M151-M266 HydrophobicContact CE-CE 4.42Å; M151-F326 HydrophobicContact CE-CD2 3.89Å; M151-F326 HydrophobicContact CE-CE2 3.6Å; M151-F326 HydrophobicContact CE-CZ 4.26Å
152D93.4Very high93.7Very high118 Ų11844.7 Ų44.763%0.63122%0.217SC*.  trans-111.6-7.3178.245.83.9000112.7K231D152-K231 IonicContact OD2-NZ 3.87Å
153H94.8Very high94Very high83 Ų8341.7 Ų41.738%0.38420%0.203SC..SBendtrans-83.4140.2179-74.9-87.5000112Y147 M151 F326 Y327Y147-H153 VanDerWaalsContact CE1-O 3.24Å; Y147-H153 WeakPolarHBondContact CE1-O 3.18Å; Y147-H153 PolarHBondContact OH-O 3.09Å; M151-H153 HydrophobicContact CE-CB 4Å; H153-F326 HydrophobicContact CB-CD2 4.05Å; H153-Y327 VanDerWaalsContact CB-O 3.27Å; H153-Y327 WeakPolarHBondContact CB-O 3.13Å; H153-Y327 VanDerWaalsContact CG-O 3.26Å; H153-Y327 PolarHBondContact ND1-O 3.25Å
154P96.2Very high93.9Very high80 Ų8044.5 Ų44.552%0.51922%0.217SC..PPolyproline II helixtrans-73.2137.1-175.928.7-33.7000112.5K156 F326 Y327P154-K156 PolarHBondContact O-N 2.67Å; P154-F326 WeakPolarHBondContact O-CA 3.27Å; P154-F326 WeakPolarHBondContact O-CB 3.43Å; P154-Y327 HydrophobicContact CG-CD2 4.45Å; P154-Y327 PolarHBondContact O-N 2.81Å
155I97.8Very high93.6Very high18 Ų1848.8 Ų48.89%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-71.1123.4172.4-61.3173.6000110R135 F140 A144 Y147 I158 I324R135-I155 PolarHBondContact NH2-O 3.27Å; F140-I155 HydrophobicContact CE2-CG2 4.42Å; F140-I155 HydrophobicContact CZ-CG2 4.08Å; A144-I155 HydrophobicContact CB-CD1 3.77Å; Y147-I155 HydrophobicContact CD1-CD1 3.68Å; Y147-I155 HydrophobicContact CD1-CG1 3.69Å; Y147-I155 HydrophobicContact CE1-CD1 4.23Å; Y147-I155 HydrophobicContact CE1-CG1 3.7Å; Y147-I155 HydrophobicContact CG-CD1 4.01Å; Y147-I155 HydrophobicContact CG-CG1 4.25Å; I155-I158 HydrophobicContact CD1-CD1 4.23Å; I155-I158 HydrophobicContact CG2-CD1 4.22Å; I155-I158 HydrophobicContact CG2-CG1 3.73Å; I155-I324 HydrophobicContact CG1-CG2 4.45Å; I155-I324 HydrophobicContact CG2-CG2 4.45Å
156K96Very high93.6Very high62 Ų6243.6 Ų43.627%0.2722%0.22SC..EExtended strand (participates in β ladder)trans-75.6-58.1170.1176.7-177.9174.3-1070110.2R135 P154 Y263 E325 Y327R135-K156 PolarHBondContact NH2-O 3.43Å; P154-K156 PolarHBondContact O-N 2.67Å; K156-Y263 HydrophobicContact CD-CD1 3.43Å; K156-Y263 VanDerWaalsContact CD-CD1 3.43Å; K156-Y263 HydrophobicContact CD-CD2 4.18Å; K156-Y263 HydrophobicContact CD-CE1 3.68Å; K156-Y263 HydrophobicContact CD-CE2 4.38Å; K156-Y263 HydrophobicContact CD-CG 3.69Å; K156-Y263 PolarHBondContact NZ-OH 3.29Å; K156-E325 WeakPolarHBondContact CA-O 3.44Å; K156-E325 HydrophobicContact CB-CB 4.03Å; K156-E325 WeakPolarHBondContact CB-O 3.38Å; K156-E325 HydrophobicContact CD-CB 4.26Å; K156-E325 HydrophobicContact CG-CB 4.43Å; K156-E325 PolarHBondContact N-O 2.98Å; K156-E325 IonicContact NZ-OE2 2.63Å; K156-E325 PolarHBondContact NZ-OE2 2.72Å; K156-Y327 HydrophobicContact CB-CD2 4.23Å; K156-Y327 HydrophobicContact CB-CE2 3.71Å; K156-Y327 HydrophobicContact CD-CE2 4.22Å; K156-Y327 HydrophobicContact CG-CE2 3.97Å
157A96.7Very high93.6Very high6 Ų643 Ų435%0.0522%0.216CC..EExtended strand (participates in β ladder)trans-153.2156.2-17800000111.3E325A157-E325 HydrophobicContact CB-CB 4.43Å; A157-E325 PolarHBondContact N-O 3.05Å; A157-E325 PolarHBondContact O-N 3.3Å
158I94.7Very high92.8Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-124124.6169.3-55.5176.4000106.3L133 F140 V143 A144 I155 Y322L133-I158 HydrophobicContact CD1-CB 4.36Å; L133-I158 HydrophobicContact CD1-CG2 3.81Å; L133-I158 HydrophobicContact CG-CG2 4.47Å; L133-I158 PolarHBondContact N-O 3.2Å; F140-I158 HydrophobicContact CD1-CD1 4.3Å; F140-I158 HydrophobicContact CD2-CB 3.93Å; F140-I158 HydrophobicContact CD2-CD1 3.62Å; F140-I158 HydrophobicContact CD2-CG1 3.89Å; F140-I158 HydrophobicContact CE1-CD1 4.21Å; F140-I158 HydrophobicContact CE2-CB 3.99Å; F140-I158 HydrophobicContact CE2-CD1 3.53Å; F140-I158 HydrophobicContact CE2-CG1 3.57Å; F140-I158 HydrophobicContact CG-CD1 3.99Å; F140-I158 HydrophobicContact CZ-CD1 3.82Å; F140-I158 HydrophobicContact CZ-CG1 4.17Å; V143-I158 HydrophobicContact CB-CD1 3.86Å; V143-I158 HydrophobicContact CB-CG2 4.29Å; V143-I158 HydrophobicContact CG1-CD1 3.74Å; V143-I158 HydrophobicContact CG1-CG1 4.45Å; V143-I158 HydrophobicContact CG1-CG2 3.88Å; A144-I158 HydrophobicContact CB-CD1 4.39Å; I155-I158 HydrophobicContact CD1-CD1 4.23Å; I155-I158 HydrophobicContact CG2-CD1 4.22Å; I155-I158 HydrophobicContact CG2-CG1 3.73Å; I158-Y322 HydrophobicContact CG2-CD1 4.12Å; I158-Y322 HydrophobicContact CG2-CG 4.47Å
159Q95.4Very high92.3Very high28 Ų2846.5 Ų46.513%0.13123%0.227CC..EExtended strand (participates in β ladder)trans-115.6124.8178.7-59.117964.400108.6L130 I131 Q132 Y322 L323 E325L130-Q159 HydrophobicContact CB-CB 4.32Å; L130-Q159 VanDerWaalsContact CB-OE1 3.29Å; I131-Q159 CarbonylContact O-C 3.43Å; I131-Q159 WeakPolarHBondContact O-CA 3.49Å; Q132-Q159 HydrophobicContact CB-CG 4.44Å; Q159-Y322 CarbonylContact O-C 3.53Å; Q159-Y322 WeakPolarHBondContact O-CA 3.21Å; Q159-L323 HydrophobicContact CB-CB 4.37Å; Q159-L323 PolarHBondContact N-O 3.35Å; Q159-L323 PolarHBondContact O-N 3.16Å; Q159-E325 PolarHBondContact NE2-OE1 2.88Å; Q159-E325 VanDerWaalsContact NE2-OE1 3.12Å
160R92.3Very high92Very high1 Ų139 Ų390%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-75.8130.9169.2178.4175.566.5-130.32.6109.1H118 E120 L130 I131 L133 E139 Q162 Y322H118-R160 WeakPolarHBondContact CD2-CD 3.43Å; H118-R160 WeakPolarHBondContact NE2-CD 3.41Å; H118-R160 PolarHBondContact O-NH1 2.7Å; H118-R160 PolarHBondContact O-NH2 3.06Å; E120-R160 IonicContact OE1-NH2 3.76Å; L130-R160 WeakPolarHBondContact CA-O 3.12Å; I131-R160 HydrophobicContact CB-CB 4.44Å; I131-R160 PolarHBondContact N-O 2.97Å; I131-R160 PolarHBondContact O-N 3.16Å; L133-R160 HydrophobicContact CD2-CB 3.97Å; L133-R160 HydrophobicContact CG-CB 4.47Å; E139-R160 WeakPolarHBondContact OE1-CD 3.24Å; E139-R160 IonicContact OE1-NH1 3.45Å; E139-R160 PolarHBondContact OE1-NH1 3.3Å; E139-R160 IonicContact OE2-NH1 2.66Å; E139-R160 PolarHBondContact OE2-NH1 3.5Å; R160-Q162 HydrophobicContact CG-CG 4.35Å; R160-Q162 VanDerWaalsContact NE-OE1 3.08Å; R160-Y322 HydrophobicContact CB-CD1 4.07Å; R160-Y322 HydrophobicContact CB-CE1 3.94Å; R160-Y322 HydrophobicContact CG-CD1 4.47Å; R160-Y322 HydrophobicContact CG-CE1 4.1Å
161I94.1Very high91.4Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-90.7126174.8-59.9154.9000107.3Y128 Q129 L130 N163 F267 Y319 P320 E321 L323Y128-I161 HydrophobicContact CD2-CG2 4.48Å; Q129-I161 WeakPolarHBondContact O-CA 3.37Å; L130-I161 HydrophobicContact CD2-CB 4.34Å; L130-I161 HydrophobicContact CD2-CG1 3.55Å; I161-N163 HydrophobicContact CG2-CB 4.48Å; I161-F267 HydrophobicContact CD1-CD1 3.7Å; I161-F267 HydrophobicContact CD1-CE1 3.52Å; I161-Y319 PolarHBondContact O-OH 2.87Å; I161-Y319 VanDerWaalsContact O-OH 3.04Å; I161-P320 VanDerWaalsContact CB-O 3.26Å; I161-P320 WeakPolarHBondContact CB-O 3.36Å; I161-P320 HydrophobicContact CD1-CB 4.06Å; I161-P320 WeakPolarHBondContact CD1-O 3.41Å; I161-E321 PolarHBondContact N-O 3.16Å; I161-L323 HydrophobicContact CD1-CB 4.24Å; I161-L323 HydrophobicContact CG1-CB 4.48Å
162Q87.6Confident90.8Very high4 Ų443.8 Ų43.82%0.01921%0.214CC..EExtended strand (participates in β ladder)trans-114.893.9174.1-62.3-174.9173.200108.4W119 E120 Y128 Q129 I131 R160W119-Q162 HydrophobicContact CB-CG 4.37Å; W119-Q162 HydrophobicContact CD2-CB 4.04Å; W119-Q162 HydrophobicContact CD2-CG 3.71Å; W119-Q162 HydrophobicContact CE3-CB 3.8Å; W119-Q162 HydrophobicContact CE3-CG 3.97Å; W119-Q162 HydrophobicContact CG-CG 3.87Å; W119-Q162 HydrophobicContact CZ3-CB 4.05Å; E120-Q162 PolarHBondContact O-NE2 3.01Å; E120-Q162 PolarHBondContact O-OE1 2.83Å; Y128-Q162 CarbonylContact C-O 3.55Å; Y128-Q162 VanDerWaalsContact CA-O 3.23Å; Y128-Q162 WeakPolarHBondContact CA-O 3.42Å; Q129-Q162 HydrophobicContact CB-CB 4.44Å; Q129-Q162 PolarHBondContact N-O 3.43Å; Q129-Q162 PolarHBondContact O-N 2.88Å; I131-Q162 HydrophobicContact CG1-CG 4.1Å; R160-Q162 HydrophobicContact CG-CG 4.35Å; R160-Q162 VanDerWaalsContact NE-OE1 3.08Å
163N89.8Confident90.7Very high3 Ų339.5 Ų39.52%0.01619%0.189CC..  trans-118108.1171.2-176.3-42.4000108.6W119 P127 I161 D165 L166 W167 C204 T205 Y319W119-N163 WeakPolarHBondContact CH2-O 3.17Å; P127-N163 PolarHBondContact O-ND2 2.89Å; I161-N163 HydrophobicContact CG2-CB 4.48Å; N163-D165 PolarHBondContact OD1-N 3.12Å; N163-L166 HydrophobicContact CB-CB 4.17Å; N163-L166 HydrophobicContact CB-CD1 4.27Å; N163-L166 HydrophobicContact CB-CG 4.3Å; N163-L166 VanDerWaalsContact CG-CG 3.47Å; N163-L166 WeakPolarHBondContact ND2-CD1 3.45Å; N163-L166 WeakPolarHBondContact ND2-CG 3.39Å; N163-L166 WeakPolarHBondContact OD1-CG 3.44Å; N163-L166 PolarHBondContact OD1-N 2.89Å; N163-W167 WeakPolarHBondContact O-CB 3.41Å; N163-W167 PolarHBondContact O-N 2.81Å; N163-W167 VanDerWaalsContact O-N 3.13Å; N163-C204 PolarHBondContact ND2-O 2.98Å; N163-T205 PolarHBondContact ND2-O 2.89Å; N163-Y319 PolarHBondContact N-OH 3.46Å; N163-Y319 WeakPolarHBondContact O-CE2 3.39Å; N163-Y319 PolarHBondContact O-OH 2.67Å
164L83.3Confident90.4Very high65 Ų6537.2 Ų37.234%0.3418%0.179SC..Hα-helixtrans-68.6-41.3-173.2-174.563.4000112.1V115 W119 W167 E168V115-L164 HydrophobicContact CG2-CD1 3.69Å; W119-L164 HydrophobicContact CZ3-CB 4.46Å; W119-L164 HydrophobicContact CZ3-CD1 4.34Å; L164-W167 PolarHBondContact O-N 2.79Å; L164-E168 PolarHBondContact O-N 3.03Å
165D85.1Confident89.8Confident98 Ų9835.9 Ų35.952%0.52417%0.169SC..Hα-helixtrans-65.4-46.7-178.7-62.4-43.2000111.4N163 W167 E168 F169N163-D165 PolarHBondContact OD1-N 3.12Å; D165-W167 VanDerWaalsContact C-N 3.26Å; D165-W167 PolarHBondContact O-N 2.85Å; D165-E168 PolarHBondContact O-N 3.44Å; D165-F169 HydrophobicContact CB-CE2 4.48Å; D165-F169 WeakPolarHBondContact O-CD2 3.5Å; D165-F169 WeakPolarHBondContact O-CG 3.46Å; D165-F169 PolarHBondContact O-N 2.82Å
166L92.8Very high89.3Confident11 Ų1139.9 Ų39.96%0.05819%0.187CC..Hα-helixtrans-64.4-34.3176.6-65.3-173.1000111.8N163 F169 F170 N207 Y319 P320N163-L166 HydrophobicContact CB-CB 4.17Å; N163-L166 HydrophobicContact CB-CD1 4.27Å; N163-L166 HydrophobicContact CB-CG 4.3Å; N163-L166 VanDerWaalsContact CG-CG 3.47Å; N163-L166 WeakPolarHBondContact ND2-CD1 3.45Å; N163-L166 WeakPolarHBondContact ND2-CG 3.39Å; N163-L166 WeakPolarHBondContact OD1-CG 3.44Å; N163-L166 PolarHBondContact OD1-N 2.89Å; L166-F169 HydrophobicContact CD2-CD2 4.21Å; L166-F169 PolarHBondContact O-N 3.31Å; L166-F170 WeakPolarHBondContact O-CB 3.3Å; L166-F170 PolarHBondContact O-N 2.75Å; L166-N207 HydrophobicContact CD1-CB 3.85Å; L166-N207 HydrophobicContact CD2-CB 3.79Å; L166-N207 HydrophobicContact CG-CB 4.44Å; L166-Y319 HydrophobicContact CB-CD2 4.08Å; L166-Y319 HydrophobicContact CB-CE2 3.97Å; L166-P320 HydrophobicContact CD1-CG 4.25Å
167W88.2Confident88.9Confident22 Ų2237.7 Ų37.78%0.08318%0.178CC..Hα-helixtrans-67.2-42.3174.6-178.3-101.9000111.9P114 P116 W119 N163 L164 D165 F170 C171 Y319P114-W167 PolarHBondContact O-NE1 2.91Å; P116-W167 VanDerWaalsContact CD-CE2 3.47Å; P116-W167 HydrophobicContact CG-CD2 3.93Å; P116-W167 HydrophobicContact CG-CE3 4.15Å; P116-W167 HydrophobicContact CG-CH2 3.7Å; P116-W167 HydrophobicContact CG-CZ2 3.45Å; P116-W167 VanDerWaalsContact CG-CZ2 3.45Å; P116-W167 HydrophobicContact CG-CZ3 4.04Å; W119-W167 HydrophobicContact CH2-CB 3.64Å; W119-W167 HydrophobicContact CH2-CG 4.01Å; W119-W167 HydrophobicContact CZ2-CB 4.16Å; W119-W167 HydrophobicContact CZ2-CD2 4.33Å; W119-W167 HydrophobicContact CZ2-CE3 4.42Å; W119-W167 HydrophobicContact CZ2-CG 4.19Å; N163-W167 WeakPolarHBondContact O-CB 3.41Å; N163-W167 PolarHBondContact O-N 2.81Å; N163-W167 VanDerWaalsContact O-N 3.13Å; L164-W167 PolarHBondContact O-N 2.79Å; D165-W167 VanDerWaalsContact C-N 3.26Å; D165-W167 PolarHBondContact O-N 2.85Å; W167-F170 HydrophobicContact CE3-CD1 4.28Å; W167-F170 HydrophobicContact CH2-CD1 4.3Å; W167-F170 HydrophobicContact CH2-CE1 4.36Å; W167-F170 AromaticContact CZ3-CD1 4Å; W167-F170 HydrophobicContact CZ3-CD1 4Å; W167-F170 HydrophobicContact CZ3-CE1 4.27Å; W167-F170 PolarHBondContact O-N 2.77Å; W167-C171 PolarHBondContact NE1-SG 3.02Å; W167-C171 PolarHBondContact O-N 2.86Å; W167-Y319 HydrophobicContact CB-CD2 4.25Å; W167-Y319 HydrophobicContact CB-CE2 3.78Å; W167-Y319 AromaticContact CE3-CD1 3.6Å; W167-Y319 HydrophobicContact CE3-CD1 3.6Å; W167-Y319 AromaticContact CE3-CD2 3.93Å; W167-Y319 HydrophobicContact CE3-CD2 3.93Å; W167-Y319 AromaticContact CE3-CE1 3.79Å; W167-Y319 HydrophobicContact CE3-CE1 3.79Å; W167-Y319 HydrophobicContact CE3-CE2 4.1Å; W167-Y319 AromaticContact CE3-CG 3.69Å; W167-Y319 HydrophobicContact CE3-CG 3.69Å; W167-Y319 AromaticContact CZ3-CD1 3.83Å; W167-Y319 HydrophobicContact CZ3-CD1 3.83Å; W167-Y319 HydrophobicContact CZ3-CE1 4.28Å; W167-Y319 HydrophobicContact CZ3-CG 4.12Å
168E81.3Confident88.5Confident68 Ų6841.4 Ų41.432%0.31819%0.191SC..Hα-helixtrans-58.3-49.7173.2168.2160.3-173.300110.8L113 L164 D165 F170 C171 R172L113-E168 HydrophobicContact CD1-CB 4.13Å; L113-E168 HydrophobicContact CD1-CG 3.46Å; L113-E168 VanDerWaalsContact CD1-CG 3.46Å; L113-E168 WeakPolarHBondContact CD1-OE1 3.48Å; L113-E168 HydrophobicContact CD2-CG 4.34Å; L164-E168 PolarHBondContact O-N 3.03Å; D165-E168 PolarHBondContact O-N 3.44Å; E168-F170 VanDerWaalsContact C-N 3.28Å; E168-F170 PolarHBondContact O-N 2.85Å; E168-C171 PolarHBondContact O-N 2.88Å; E168-R172 HydrophobicContact CG-CG 4.07Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 VanDerWaalsContact O-CG 3.24Å; E168-R172 WeakPolarHBondContact O-CG 3.18Å; E168-R172 PolarHBondContact O-N 2.9Å; E168-R172 WeakPolarHBondContact OE1-CD 3.28Å; E168-R172 IonicContact OE1-CZ 3.64Å; E168-R172 IonicContact OE1-NH1 3.3Å; E168-R172 PolarHBondContact OE1-NH1 2.85Å
169F87Confident88.1Confident98 Ų9849.1 Ų49.143%0.4323%0.225SC..Hα-helixtrans-57.5-43.2178.1-67.7-45.5000112.2D165 L166 R172 K173 N316D165-F169 HydrophobicContact CB-CE2 4.48Å; D165-F169 WeakPolarHBondContact O-CD2 3.5Å; D165-F169 WeakPolarHBondContact O-CG 3.46Å; D165-F169 PolarHBondContact O-N 2.82Å; L166-F169 HydrophobicContact CD2-CD2 4.21Å; L166-F169 PolarHBondContact O-N 3.31Å; F169-R172 PolarHBondContact O-N 2.8Å; F169-K173 WeakPolarHBondContact O-CB 3.29Å; F169-K173 PolarHBondContact O-N 3.26Å; F169-N316 HydrophobicContact CB-CB 4.4Å; F169-N316 WeakPolarHBondContact CB-OD1 3.44Å
170F91.6Very high87.7Confident3 Ų352.3 Ų52.31%0.01325%0.246CC..Hα-helixtrans-60.1-50.4176178.7-94.8000112.5L166 W167 E168 R172 K173 K174 E188 R270 L272 N316 Q317L166-F170 WeakPolarHBondContact O-CB 3.3Å; L166-F170 PolarHBondContact O-N 2.75Å; W167-F170 HydrophobicContact CE3-CD1 4.28Å; W167-F170 HydrophobicContact CH2-CD1 4.3Å; W167-F170 HydrophobicContact CH2-CE1 4.36Å; W167-F170 AromaticContact CZ3-CD1 4Å; W167-F170 HydrophobicContact CZ3-CD1 4Å; W167-F170 HydrophobicContact CZ3-CE1 4.27Å; W167-F170 PolarHBondContact O-N 2.77Å; E168-F170 VanDerWaalsContact C-N 3.28Å; E168-F170 PolarHBondContact O-N 2.85Å; F170-R172 PolarHBondContact O-N 2.78Å; F170-K173 PolarHBondContact O-N 2.81Å; F170-K174 PolarHBondContact O-N 2.83Å; F170-E188 HydrophobicContact CZ-CG 4.42Å; F170-R270 HydrophobicContact CE1-CG 4.16Å; F170-R270 HydrophobicContact CE2-CG 4.26Å; F170-R270 HydrophobicContact CZ-CB 4.3Å; F170-R270 HydrophobicContact CZ-CG 3.61Å; F170-L272 HydrophobicContact CD2-CD1 4.47Å; F170-L272 HydrophobicContact CD2-CG 4.34Å; F170-L272 HydrophobicContact CE1-CD2 4.39Å; F170-L272 HydrophobicContact CE2-CD1 4.13Å; F170-L272 HydrophobicContact CE2-CD2 3.97Å; F170-L272 HydrophobicContact CE2-CG 3.56Å; F170-L272 HydrophobicContact CZ-CD1 4.39Å; F170-L272 HydrophobicContact CZ-CD2 3.59Å; F170-L272 HydrophobicContact CZ-CG 3.75Å; F170-N316 WeakPolarHBondContact CA-O 3.29Å; F170-Q317 WeakPolarHBondContact CE2-O 3.43Å
171C84.9Confident87.5Confident12 Ų1254.6 Ų54.68%0.08126%0.256CS..Hα-helixtrans-63.9-40179-750000112.7L113 W167 E168 K174 T175L113-C171 HydrophobicContact CD2-CB 3.49Å; L113-C171 VanDerWaalsContact CD2-CB 3.49Å; W167-C171 PolarHBondContact NE1-SG 3.02Å; W167-C171 PolarHBondContact O-N 2.86Å; E168-C171 PolarHBondContact O-N 2.88Å; C171-K174 PolarHBondContact O-N 3.35Å; C171-T175 PolarHBondContact O-N 3.27Å; C171-T175 PolarHBondContact O-OG1 2.98Å; C171-T175 VanDerWaalsContact O-OG1 3.05Å
172R83.2Confident87.1Confident139 Ų13965.8 Ų65.853%0.52530%0.298SS..Hα-helixtrans-64.3-42.3175.3-69.5-17984102.54.9111L113 E168 F169 F170 T175 Q176L113-R172 HydrophobicContact CD2-CG 3.75Å; E168-R172 HydrophobicContact CG-CG 4.07Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 VanDerWaalsContact O-CG 3.24Å; E168-R172 WeakPolarHBondContact O-CG 3.18Å; E168-R172 PolarHBondContact O-N 2.9Å; E168-R172 WeakPolarHBondContact OE1-CD 3.28Å; E168-R172 IonicContact OE1-CZ 3.64Å; E168-R172 IonicContact OE1-NH1 3.3Å; E168-R172 PolarHBondContact OE1-NH1 2.85Å; F169-R172 PolarHBondContact O-N 2.8Å; F170-R172 PolarHBondContact O-N 2.78Å; R172-T175 PolarHBondContact O-N 2.94Å; R172-Q176 WeakPolarHBondContact O-CB 3.38Å; R172-Q176 PolarHBondContact O-N 3.07Å
173K92.1Very high87Confident28 Ų2868.5 Ų68.512%0.12232%0.315CS..Hα-helixtrans-62.3-45176.3-174.866.7-178.6-171.90111.5F169 F170 T175 Q176 L177 L272 D314 N316 Q317F169-K173 WeakPolarHBondContact O-CB 3.29Å; F169-K173 PolarHBondContact O-N 3.26Å; F170-K173 PolarHBondContact O-N 2.81Å; K173-T175 VanDerWaalsContact C-N 3.32Å; K173-T175 PolarHBondContact O-N 2.89Å; K173-Q176 WeakPolarHBondContact O-CB 3.35Å; K173-Q176 PolarHBondContact O-N 2.69Å; K173-L177 HydrophobicContact CG-CD1 4.31Å; K173-L177 HydrophobicContact CG-CG 4.5Å; K173-L177 WeakPolarHBondContact O-CG 3.36Å; K173-L177 PolarHBondContact O-N 3.24Å; K173-L272 HydrophobicContact CB-CD1 4.37Å; K173-L272 HydrophobicContact CG-CD1 4.18Å; K173-D314 VanDerWaalsContact CE-OD2 3.24Å; K173-D314 WeakPolarHBondContact CE-OD2 3.35Å; K173-D314 IonicContact NZ-OD2 3.72Å; K173-D314 PolarHBondContact NZ-OD2 3.04Å; K173-N316 HydrophobicContact CB-CB 3.98Å; K173-N316 WeakPolarHBondContact CB-O 3.48Å; K173-N316 HydrophobicContact CD-CB 4.3Å; K173-N316 HydrophobicContact CG-CB 4.15Å; K173-N316 WeakPolarHBondContact CG-O 3.35Å; K173-Q317 HydrophobicContact CD-CG 4.43Å; K173-Q317 HydrophobicContact CG-CG 3.88Å
174K87.7Confident86.4Confident36 Ų3676.2 Ų76.216%0.15736%0.355CS..Hα-helixtrans-56.4-46.9174.8-166.6172.9-167.9171.40111.6F170 C171 L177 R178 D185 E188 L272F170-K174 PolarHBondContact O-N 2.83Å; C171-K174 PolarHBondContact O-N 3.35Å; K174-L177 PolarHBondContact O-N 3.17Å; K174-R178 WeakPolarHBondContact O-CG 3.33Å; K174-R178 PolarHBondContact O-N 2.88Å; K174-D185 WeakPolarHBondContact CE-OD1 2.91Å; K174-D185 IonicContact NZ-OD1 2.69Å; K174-E188 IonicContact NZ-OE2 3.92Å; K174-E188 PolarHBondContact NZ-OE2 3.44Å; K174-L272 HydrophobicContact CB-CD1 3.71Å; K174-L272 HydrophobicContact CB-CD2 4.14Å; K174-L272 HydrophobicContact CD-CD2 3.85Å; K174-L272 HydrophobicContact CG-CD1 4.23Å; K174-L272 HydrophobicContact CG-CD2 3.84Å
175T83.8Confident86.1Confident52 Ų5277.3 Ų77.332%0.31936%0.362SS..Hα-helixtrans-64.3-41178-60.90000112.3C171 R172 K173 K179C171-T175 PolarHBondContact O-N 3.27Å; C171-T175 PolarHBondContact O-OG1 2.98Å; C171-T175 VanDerWaalsContact O-OG1 3.05Å; R172-T175 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact C-N 3.32Å; K173-T175 PolarHBondContact O-N 2.89Å; T175-K179 HydrophobicContact CG2-CD 4.45Å; T175-K179 WeakPolarHBondContact O-CG 3.45Å; T175-K179 PolarHBondContact O-N 3.2Å; T175-K179 VanDerWaalsContact O-N 3.17Å
176Q87.8Confident86.3Confident101 Ų10172.9 Ų72.947%0.47234%0.338SS..Hα-helixtrans-60.1-50.7175-175.7-166.521.900110.9R172 K173 R178 K179 V180R172-Q176 WeakPolarHBondContact O-CB 3.38Å; R172-Q176 PolarHBondContact O-N 3.07Å; K173-Q176 WeakPolarHBondContact O-CB 3.35Å; K173-Q176 PolarHBondContact O-N 2.69Å; Q176-R178 PolarHBondContact O-N 3.32Å; Q176-K179 PolarHBondContact O-N 3.45Å; Q176-V180 HydrophobicContact CG-CG2 4.32Å; Q176-V180 WeakPolarHBondContact O-CG2 3.47Å; Q176-V180 PolarHBondContact O-N 2.79Å
177L88.8Confident86.1Confident16 Ų1676 Ų768%0.08435%0.352CS..Hα-helixtrans-61-42.3-179.2-71178.1000111.7K173 K174 K179 V180 K181 I186 L272 Q317K173-L177 HydrophobicContact CG-CD1 4.31Å; K173-L177 HydrophobicContact CG-CG 4.5Å; K173-L177 WeakPolarHBondContact O-CG 3.36Å; K173-L177 PolarHBondContact O-N 3.24Å; K174-L177 PolarHBondContact O-N 3.17Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 2.99Å; L177-V180 PolarHBondContact O-N 3.13Å; L177-K181 WeakPolarHBondContact O-CB 3.4Å; L177-K181 WeakPolarHBondContact O-CG 3.3Å; L177-K181 PolarHBondContact O-N 2.84Å; L177-I186 HydrophobicContact CB-CD1 3.74Å; L177-I186 HydrophobicContact CB-CG1 3.79Å; L177-I186 HydrophobicContact CD1-CG2 4.28Å; L177-L272 HydrophobicContact CD1-CB 4.43Å; L177-L272 HydrophobicContact CD1-CD1 4.21Å; L177-Q317 HydrophobicContact CD1-CG 4.28Å
178R86.9Confident86.3Confident85 Ų8577.6 Ų77.632%0.32136%0.36SS..Hα-helixtrans-55.7-46.5173.6-74.1176.4179173.8-9.5112.3K174 Q176 R182 T183 L184 D185 I186K174-R178 WeakPolarHBondContact O-CG 3.33Å; K174-R178 PolarHBondContact O-N 2.88Å; Q176-R178 PolarHBondContact O-N 3.32Å; R178-R182 WeakPolarHBondContact O-CA 3.47Å; R178-R182 PolarHBondContact O-N 3.14Å; R178-T183 WeakPolarHBondContact CB-O 3.22Å; R178-T183 PolarHBondContact O-N 2.83Å; R178-T183 VanDerWaalsContact O-N 3.14Å; R178-L184 WeakPolarHBondContact CD-O 3.45Å; R178-L184 PolarHBondContact NE-O 3.18Å; R178-D185 IonicContact CZ-OD1 2.63Å; R178-D185 IonicContact NE-OD1 2.68Å; R178-D185 PolarHBondContact NE-OD1 3.39Å; R178-D185 IonicContact NH2-OD1 2.76Å; R178-D185 PolarHBondContact NH2-OD1 3.36Å; R178-I186 HydrophobicContact CG-CG1 3.75Å
179K87Confident86.8Confident161 Ų16178.2 Ų78.270%0.736%0.36SS*.Hα-helixtrans-66.1-46.2179-71.4175.9-178.91800112.2T175 Q176 L177 K181 R182T175-K179 HydrophobicContact CG2-CD 4.45Å; T175-K179 WeakPolarHBondContact O-CG 3.45Å; T175-K179 PolarHBondContact O-N 3.2Å; T175-K179 VanDerWaalsContact O-N 3.17Å; Q176-K179 PolarHBondContact O-N 3.45Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 2.99Å; K179-K181 VanDerWaalsContact C-N 3.35Å; K179-R182 PolarHBondContact O-N 3.31Å
180V87.5Confident87.2Confident95 Ų9576.1 Ų76.158%0.57635%0.352SS*.Hα-helixtrans-63.5-42.5-179.3171.20000110.9Q176 L177Q176-V180 HydrophobicContact CG-CG2 4.32Å; Q176-V180 WeakPolarHBondContact O-CG2 3.47Å; Q176-V180 PolarHBondContact O-N 2.79Å; L177-V180 PolarHBondContact O-N 3.13Å
181K86.8Confident87.5Confident50 Ų5076.1 Ų76.122%0.21735%0.352CS..Hα-helixtrans-87.7-6.3-177.9-65.3-164.6162.8-154.30114.7L177 K179 T183 I186 E275 F296 D298L177-K181 WeakPolarHBondContact O-CB 3.4Å; L177-K181 WeakPolarHBondContact O-CG 3.3Å; L177-K181 PolarHBondContact O-N 2.84Å; K179-K181 VanDerWaalsContact C-N 3.35Å; K181-T183 HydrophobicContact CB-CG2 3.85Å; K181-T183 PolarHBondContact O-N 3.36Å; K181-I186 HydrophobicContact CD-CD1 4.14Å; K181-E275 IonicContact NZ-OE2 3.7Å; K181-E275 PolarHBondContact NZ-OE2 3.47Å; K181-F296 PolarHBondContact NZ-O 3.29Å; K181-D298 WeakPolarHBondContact CE-OD1 3.36Å; K181-D298 WeakPolarHBondContact CE-OD2 3.42Å; K181-D298 IonicContact NZ-OD1 2.88Å; K181-D298 PolarHBondContact NZ-OD1 3.06Å; K181-D298 IonicContact NZ-OD2 3.41Å; K181-D298 PolarHBondContact NZ-OD2 2.97Å
182R87.1Confident88.2Confident235 Ų23575.7 Ų75.789%0.88735%0.349SS*.THydrogen-bonded Turntrans52.841.4-176.7-54.6-178.8178.9-164-0.8112.3R178 K179R178-R182 WeakPolarHBondContact O-CA 3.47Å; R178-R182 PolarHBondContact O-N 3.14Å; K179-R182 PolarHBondContact O-N 3.31Å
183T83.7Confident88.8Confident60 Ų6070.3 Ų70.337%0.36833%0.329SS..  trans-115.7150.5178.3179.90000110.3R178 K181 D185 I186R178-T183 WeakPolarHBondContact CB-O 3.22Å; R178-T183 PolarHBondContact O-N 2.83Å; R178-T183 VanDerWaalsContact O-N 3.14Å; K181-T183 HydrophobicContact CB-CG2 3.85Å; K181-T183 PolarHBondContact O-N 3.36Å; T183-D185 VanDerWaalsContact C-N 3.31Å; T183-D185 WeakPolarHBondContact CG2-O 3.28Å; T183-D185 PolarHBondContact OG1-N 2.98Å; T183-D185 PolarHBondContact OG1-O 3.32Å; T183-I186 HydrophobicContact CG2-CD1 3.58Å; T183-I186 HydrophobicContact CG2-CG1 4.38Å
184L77.5Confident88.9Confident166 Ų16669.4 Ų69.487%0.86933%0.328SS*.SBendtrans-71.4-30.2175.6-64.7176000111.8R178R178-L184 WeakPolarHBondContact CD-O 3.45Å; R178-L184 PolarHBondContact NE-O 3.18Å
185D78.4Confident88.9Confident88 Ų8868.3 Ų68.347%0.47133%0.325SS..  trans-142.7156.7180-152.814.1000113.6K174 R178 T183K174-D185 WeakPolarHBondContact CE-OD1 2.91Å; K174-D185 IonicContact NZ-OD1 2.69Å; R178-D185 IonicContact CZ-OD1 2.63Å; R178-D185 IonicContact NE-OD1 2.68Å; R178-D185 PolarHBondContact NE-OD1 3.39Å; R178-D185 IonicContact NH2-OD1 2.76Å; R178-D185 PolarHBondContact NH2-OD1 3.36Å; T183-D185 VanDerWaalsContact C-N 3.31Å; T183-D185 WeakPolarHBondContact CG2-O 3.28Å; T183-D185 PolarHBondContact OG1-N 2.98Å; T183-D185 PolarHBondContact OG1-O 3.32Å
186I87.5Confident88.9Confident4 Ų466.1 Ų66.12%0.02131%0.313CS..  trans-115.9129.7175.6-62.5-67.4000106.7L177 R178 K181 T183 E188 L272L177-I186 HydrophobicContact CB-CD1 3.74Å; L177-I186 HydrophobicContact CB-CG1 3.79Å; L177-I186 HydrophobicContact CD1-CG2 4.28Å; R178-I186 HydrophobicContact CG-CG1 3.75Å; K181-I186 HydrophobicContact CD-CD1 4.14Å; T183-I186 HydrophobicContact CG2-CD1 3.58Å; T183-I186 HydrophobicContact CG2-CG1 4.38Å; I186-E188 PolarHBondContact O-N 3.07Å; I186-L272 HydrophobicContact CG2-CB 4.16Å; I186-L272 HydrophobicContact CG2-CD2 4.36Å
187E89Confident88.7Confident77 Ų7762.4 Ų62.436%0.3630%0.295SS..  trans-58.1124180-168.9178.4157.300110.3R189 L272 V273 G274E187-R189 IonicContact OE1-CZ 3.83Å; E187-R189 IonicContact OE1-NE 3.97Å; E187-R189 PolarHBondContact OE1-NE 2.85Å; E187-R189 IonicContact OE1-NH2 3.13Å; E187-R189 PolarHBondContact OE1-NH2 2.85Å; E187-L272 CarbonylContact O-C 3.57Å; E187-V273 HydrophobicContact CB-CG2 4Å; E187-V273 HydrophobicContact CG-CG2 3.74Å; E187-V273 WeakPolarHBondContact O-CG2 3.42Å; E187-V273 PolarHBondContact O-N 2.97Å; E187-G274 PolarHBondContact O-N 2.93Å
188E91.9Very high88.3Confident56 Ų5663.1 Ų63.126%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-123138.4-176.5-173.5-174.1112.900109.2F170 K174 I186 R270 V271 L272F170-E188 HydrophobicContact CZ-CG 4.42Å; K174-E188 IonicContact NZ-OE2 3.92Å; K174-E188 PolarHBondContact NZ-OE2 3.44Å; I186-E188 PolarHBondContact O-N 3.07Å; E188-R270 VanDerWaalsContact CD-CG 3.45Å; E188-R270 HydrophobicContact CG-CG 3.72Å; E188-R270 WeakPolarHBondContact OE1-CD 3.07Å; E188-R270 WeakPolarHBondContact OE1-CG 3.37Å; E188-R270 IonicContact OE1-CZ 2.7Å; E188-R270 IonicContact OE1-NE 2.7Å; E188-R270 IonicContact OE1-NH1 2.77Å; E188-R270 PolarHBondContact OE1-NH1 3.31Å; E188-V271 CarbonylContact C-O 3.6Å; E188-V271 VanDerWaalsContact CA-O 3.28Å; E188-V271 WeakPolarHBondContact CA-O 3.08Å; E188-L272 HydrophobicContact CB-CD2 4.28Å; E188-L272 HydrophobicContact CG-CD2 4.17Å
189R92.4Very high88.2Confident81 Ų8160.5 Ų60.531%0.30629%0.294SS..EExtended strand (participates in β ladder)trans-135.7145.5-179.9-65.4-173.6176.5-128.6-1.3111.3E187 L191 V271 V273 Y310E187-R189 IonicContact OE1-CZ 3.83Å; E187-R189 IonicContact OE1-NE 3.97Å; E187-R189 PolarHBondContact OE1-NE 2.85Å; E187-R189 IonicContact OE1-NH2 3.13Å; E187-R189 PolarHBondContact OE1-NH2 2.85Å; R189-L191 HydrophobicContact CB-CD1 4.27Å; R189-L191 HydrophobicContact CB-CD2 4.11Å; R189-L191 HydrophobicContact CB-CG 3.9Å; R189-V271 PolarHBondContact N-O 3.06Å; R189-V271 PolarHBondContact O-N 3.18Å; R189-V273 HydrophobicContact CB-CG1 4.25Å; R189-V273 HydrophobicContact CG-CG1 4.36Å; R189-V273 HydrophobicContact CG-CG2 3.84Å; R189-Y310 PolarHBondContact NE-OH 2.69Å; R189-Y310 PolarHBondContact NH1-OH 2.95Å; R189-Y310 VanDerWaalsContact NH1-OH 3.1Å
190M96Very high88.2Confident53 Ų5352.9 Ų52.926%0.26126%0.261SS..EExtended strand (participates in β ladder)trans-84.6118.5163.6-61.4-56.7-61.400108.2L146 L268 A269 R270 E321 Y322L146-M190 HydrophobicContact CD1-CB 4.09Å; M190-L268 HydrophobicContact CB-CD1 3.94Å; M190-L268 HydrophobicContact CB-CD2 4.49Å; M190-L268 HydrophobicContact CB-CG 4.29Å; M190-L268 HydrophobicContact CE-CD2 4Å; M190-L268 HydrophobicContact CE-CG 3.72Å; M190-A269 CarbonylContact C-O 3.48Å; M190-A269 WeakPolarHBondContact CA-O 3.45Å; M190-R270 HydrophobicContact CE-CB 4.47Å; M190-R270 HydrophobicContact SD-CB 3.85Å; M190-R270 HydrophobicContact SD-CG 4.08Å; M190-E321 HydrophobicContact CE-CB 4.22Å; M190-E321 WeakPolarHBondContact CE-OE2 3.35Å; M190-Y322 HydrophobicContact CE-CD2 4.06Å; M190-Y322 HydrophobicContact CE-CE2 4.11Å
191L98.2Very high88.2Confident3 Ų349.3 Ų49.32%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-133.3147.5-175.9-59.1172.4000111.4R189 F226 R228 A269 V271 V273 Y310R189-L191 HydrophobicContact CB-CD1 4.27Å; R189-L191 HydrophobicContact CB-CD2 4.11Å; R189-L191 HydrophobicContact CB-CG 3.9Å; L191-F226 HydrophobicContact CB-CB 3.69Å; L191-F226 HydrophobicContact CB-CD1 4.31Å; L191-F226 HydrophobicContact CB-CG 4.36Å; L191-F226 HydrophobicContact CD1-CB 3.8Å; L191-F226 HydrophobicContact CG-CB 4.4Å; L191-R228 HydrophobicContact CD2-CB 4.47Å; L191-A269 PolarHBondContact N-O 3.37Å; L191-A269 PolarHBondContact O-N 2.92Å; L191-V271 HydrophobicContact CB-CG2 4.31Å; L191-V271 HydrophobicContact CD1-CB 4.1Å; L191-V271 HydrophobicContact CD1-CG1 4.35Å; L191-V271 HydrophobicContact CD1-CG2 4.16Å; L191-V273 HydrophobicContact CD1-CG1 3.91Å; L191-Y310 HydrophobicContact CD1-CD2 3.53Å; L191-Y310 HydrophobicContact CD1-CE2 4.24Å; L191-Y310 HydrophobicContact CD1-CG 3.74Å; L191-Y310 HydrophobicContact CD2-CD2 3.93Å; L191-Y310 HydrophobicContact CD2-CE2 4.02Å; L191-Y310 HydrophobicContact CG-CD2 4.42Å
192F98.5Very high88.3Confident4 Ų448 Ų482%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-86.2141.3-177.2-64.5-81.9000111.9L146 Y147 F226 A227 R228 A230 S233 M266 F267 L268 I324L146-F192 HydrophobicContact CB-CZ 4.04Å; Y147-F192 HydrophobicContact CD2-CE1 4.38Å; F192-F226 WeakPolarHBondContact O-CA 3.48Å; F192-A227 PolarHBondContact N-O 3.35Å; F192-A227 PolarHBondContact O-N 3.03Å; F192-R228 WeakPolarHBondContact CD2-O 3.45Å; F192-A230 HydrophobicContact CD1-CB 3.86Å; F192-A230 HydrophobicContact CD2-CB 3.83Å; F192-A230 HydrophobicContact CE1-CB 3.78Å; F192-A230 HydrophobicContact CE2-CB 3.77Å; F192-A230 HydrophobicContact CG-CB 3.88Å; F192-A230 HydrophobicContact CZ-CB 3.75Å; F192-S233 WeakPolarHBondContact CB-OG 3.37Å; F192-S233 PolarHBondContact O-OG 3.39Å; F192-M266 HydrophobicContact CB-SD 4.47Å; F192-M266 HydrophobicContact CD1-CG 4.47Å; F192-M266 HydrophobicContact CD1-SD 3.62Å; F192-M266 HydrophobicContact CE1-SD 4.25Å; F192-M266 HydrophobicContact CG-SD 4.33Å; F192-F267 CarbonylContact C-O 3.51Å; F192-F267 VanDerWaalsContact CA-O 3.28Å; F192-F267 WeakPolarHBondContact CA-O 3.47Å; F192-L268 HydrophobicContact CD1-CB 4.27Å; F192-L268 HydrophobicContact CD1-CD1 3.88Å; F192-L268 HydrophobicContact CD2-CD1 4.25Å; F192-L268 HydrophobicContact CE1-CB 4.21Å; F192-L268 HydrophobicContact CE1-CD1 3.73Å; F192-L268 HydrophobicContact CE1-CG 4.38Å; F192-L268 HydrophobicContact CE2-CD1 4.1Å; F192-L268 HydrophobicContact CG-CD1 4.14Å; F192-L268 HydrophobicContact CZ-CD1 3.83Å; F192-I324 HydrophobicContact CD1-CD1 4.35Å; F192-I324 HydrophobicContact CE1-CD1 3.76Å
193H96.7Very high88.6Confident25 Ų2537 Ų3712%0.11620%0.195CC..EExtended strand (participates in β ladder)trans-131.4115.5171-178.992.6000110F208 Y225 F226 F267H193-F208 HydrophobicContact CB-CE1 3.99Å; H193-F208 HydrophobicContact CB-CZ 4.48Å; H193-F208 AromaticContact CD2-CD1 3.88Å; H193-F208 AromaticContact CD2-CE1 3.5Å; H193-F208 VanDerWaalsContact CD2-CE1 3.5Å; H193-F208 WeakPolarHBondContact CD2-CE1 3.31Å; H193-F208 AromaticContact CG-CE1 3.67Å; H193-F208 AromaticContact NE2-CD1 3.93Å; H193-Y225 PolarHBondContact ND1-O 2.89Å; H193-F226 HydrophobicContact CB-CD1 3.81Å; H193-F226 HydrophobicContact CB-CE1 3.7Å; H193-F267 HydrophobicContact CB-CB 4.31Å; H193-F267 PolarHBondContact N-O 3.41Å; H193-F267 PolarHBondContact O-N 2.91Å
194G93.3Very high89Confident9 Ų934.2 Ų34.29%0.09318%0.178CC..EExtended strand (participates in β ladder)trans-88.4136.5174.100000110.6S233 F236 C237G194-S233 WeakPolarHBondContact CA-O 3.46Å; G194-F236 WeakPolarHBondContact O-CB 3.39Å; G194-C237 VanDerWaalsContact CA-SG 3.57Å
195T88.1Confident89.6Confident14 Ų1427.5 Ų27.59%0.08614%0.144CC..  trans-151.5165.4178.8-164.70000110.4N199 I203 F236 F267T195-N199 HydrophobicContact CG2-CB 4.27Å; T195-N199 WeakPolarHBondContact OG1-CB 3.37Å; T195-N199 PolarHBondContact OG1-ND2 2.82Å; T195-I203 HydrophobicContact CG2-CD1 3.84Å; T195-F236 CarbonylContact C-O 3.49Å; T195-F267 HydrophobicContact CG2-CD2 4.08Å; T195-F267 HydrophobicContact CG2-CE2 3.82Å
196G84.3Confident90.1Very high6 Ų629.6 Ų29.66%0.06215%0.149CC..  trans-71.7150.8173.800000112.5S198 N199 H238G196-S198 PolarHBondContact O-N 2.83Å; G196-S198 VanDerWaalsContact O-N 3.14Å; G196-N199 PolarHBondContact O-N 2.89Å; G196-H238 VanDerWaalsContact CA-O 3.28Å; G196-H238 WeakPolarHBondContact CA-O 3.46Å
197H82.4Confident90.5Very high22 Ų2229.7 Ų29.710%0.10215%0.149CC..G310 helixtrans-55.2-35.7-176.9-174.175.8000112.8N199 I200 F257 P261H197-N199 PolarHBondContact O-N 2.83Å; H197-N199 VanDerWaalsContact O-N 3.11Å; H197-I200 HydrophobicContact CB-CD1 4.42Å; H197-I200 WeakPolarHBondContact ND1-CD1 3.5Å; H197-I200 WeakPolarHBondContact O-CG1 3.46Å; H197-I200 PolarHBondContact O-N 3.34Å; H197-F257 AromaticContact CE1-CD1 3.85Å; H197-F257 AromaticContact NE2-CD1 3.49Å; H197-F257 WeakPolarHBondContact NE2-CD1 3.49Å; H197-P261 VanDerWaalsContact CE1-CD 3.43Å; H197-P261 WeakPolarHBondContact CE1-CD 3.24Å; H197-P261 WeakPolarHBondContact ND1-CD 3.41Å; H197-P261 WeakPolarHBondContact ND1-CG 3.42Å
198S80.5Confident90.6Very high31 Ų3126.3 Ų26.322%0.21713%0.133CC..G310 helixtrans-61.4-1917861.90000114.9G196G196-S198 PolarHBondContact O-N 2.83Å; G196-S198 VanDerWaalsContact O-N 3.14Å
199N85.3Confident90.3Very high30 Ų3025.3 Ų25.316%0.1613%0.13CC..G310 helixtrans-94.6-13.6-177.3-61.8-26.3000112.9T195 G196 H197 Q201 A202 I203T195-N199 HydrophobicContact CG2-CB 4.27Å; T195-N199 WeakPolarHBondContact OG1-CB 3.37Å; T195-N199 PolarHBondContact OG1-ND2 2.82Å; G196-N199 PolarHBondContact O-N 2.89Å; H197-N199 PolarHBondContact O-N 2.83Å; H197-N199 VanDerWaalsContact O-N 3.11Å; N199-Q201 PolarHBondContact O-N 3.33Å; N199-A202 PolarHBondContact O-N 2.81Å; N199-I203 HydrophobicContact CB-CD1 4.07Å; N199-I203 WeakPolarHBondContact O-CG1 3.46Å; N199-I203 PolarHBondContact O-N 3.24Å
200I88.1Confident89.6Confident2 Ų224.7 Ų24.71%0.0113%0.128CC..Hα-helixtrans-57.6-51.1-172.3-67170.3000110.6H197 A202 I203 C204 F257 T265 F267 L323H197-I200 HydrophobicContact CB-CD1 4.42Å; H197-I200 WeakPolarHBondContact ND1-CD1 3.5Å; H197-I200 WeakPolarHBondContact O-CG1 3.46Å; H197-I200 PolarHBondContact O-N 3.34Å; I200-A202 PolarHBondContact O-N 2.69Å; I200-I203 PolarHBondContact O-N 3.29Å; I200-C204 PolarHBondContact O-N 2.82Å; I200-C204 PolarHBondContact O-SG 3.47Å; I200-C204 VanDerWaalsContact O-SG 3.33Å; I200-F257 HydrophobicContact CB-CE1 4.09Å; I200-F257 HydrophobicContact CG2-CE1 3.96Å; I200-F257 HydrophobicContact CG2-CZ 4.18Å; I200-T265 HydrophobicContact CD1-CG2 3.78Å; I200-F267 HydrophobicContact CB-CZ 4.4Å; I200-F267 HydrophobicContact CG1-CE2 4.33Å; I200-F267 HydrophobicContact CG2-CZ 4.06Å; I200-L323 HydrophobicContact CG1-CD1 4.41Å; I200-L323 HydrophobicContact CG2-CD1 3.92Å; I200-L323 HydrophobicContact CG2-CD2 3.77Å
201Q86.6Confident88.7Confident19 Ų1930.7 Ų30.79%0.08915%0.147CC..Hα-helixtrans-60.3-46.7-179.1-169.9-164.9-22.800111.6N199 I203 C204 T205 L252 A253 P254 F257N199-Q201 PolarHBondContact O-N 3.33Å; Q201-I203 VanDerWaalsContact C-N 3.27Å; Q201-I203 PolarHBondContact O-N 3.26Å; Q201-C204 PolarHBondContact O-N 2.91Å; Q201-T205 WeakPolarHBondContact O-CB 3.41Å; Q201-T205 PolarHBondContact O-N 2.87Å; Q201-T205 PolarHBondContact O-OG1 2.86Å; Q201-T205 VanDerWaalsContact O-OG1 3.05Å; Q201-L252 PolarHBondContact NE2-O 2.91Å; Q201-A253 VanDerWaalsContact OE1-CA 3.23Å; Q201-P254 VanDerWaalsContact CD-CD 3.45Å; Q201-F257 HydrophobicContact CB-CD2 4.16Å; Q201-F257 HydrophobicContact CB-CE2 3.81Å; Q201-F257 HydrophobicContact CB-CZ 4.04Å; Q201-F257 HydrophobicContact CG-CD2 4.35Å; Q201-F257 HydrophobicContact CG-CE2 3.96Å
202A88.5Confident87.1Confident23 Ų2336.4 Ų36.419%0.1918%0.177CC..Hα-helixtrans-58.1-41.917900000111.6N199 I200 T205 F206 L247N199-A202 PolarHBondContact O-N 2.81Å; I200-A202 PolarHBondContact O-N 2.69Å; A202-T205 PolarHBondContact O-N 2.86Å; A202-F206 WeakPolarHBondContact O-CA 3.4Å; A202-F206 WeakPolarHBondContact O-CB 3.3Å; A202-F206 PolarHBondContact O-N 3.49Å; A202-L247 HydrophobicContact CB-CD1 3.84Å
203I92.8Very high85.1Confident5 Ų538.6 Ų38.63%0.02619%0.191CC..Hα-helixtrans-68.8-43.1178.5-68.5163.6000111.2T195 N199 I200 Q201 T205 N207 F208 F267 P320T195-I203 HydrophobicContact CG2-CD1 3.84Å; N199-I203 HydrophobicContact CB-CD1 4.07Å; N199-I203 WeakPolarHBondContact O-CG1 3.46Å; N199-I203 PolarHBondContact O-N 3.24Å; I200-I203 PolarHBondContact O-N 3.29Å; Q201-I203 VanDerWaalsContact C-N 3.27Å; Q201-I203 PolarHBondContact O-N 3.26Å; I203-T205 VanDerWaalsContact C-N 3.3Å; I203-T205 PolarHBondContact O-N 2.76Å; I203-N207 WeakPolarHBondContact O-CA 3.24Å; I203-N207 PolarHBondContact O-N 3.01Å; I203-F208 HydrophobicContact CD1-CD1 4.07Å; I203-F208 HydrophobicContact CD1-CE1 4.12Å; I203-F208 HydrophobicContact CG1-CD1 4.18Å; I203-F208 HydrophobicContact CG1-CE1 4.46Å; I203-F208 HydrophobicContact CG2-CD1 3.8Å; I203-F208 HydrophobicContact CG2-CD2 4.31Å; I203-F208 HydrophobicContact CG2-CE1 3.53Å; I203-F208 HydrophobicContact CG2-CE2 4.07Å; I203-F208 HydrophobicContact CG2-CG 4.18Å; I203-F208 HydrophobicContact CG2-CZ 3.67Å; I203-F267 HydrophobicContact CB-CE1 4.43Å; I203-F267 HydrophobicContact CB-CE2 4.03Å; I203-F267 HydrophobicContact CB-CZ 3.74Å; I203-F267 HydrophobicContact CD1-CD2 4.34Å; I203-F267 HydrophobicContact CD1-CE2 3.73Å; I203-F267 HydrophobicContact CD1-CZ 4.33Å; I203-F267 HydrophobicContact CG2-CD1 4.29Å; I203-F267 HydrophobicContact CG2-CD2 4.32Å; I203-F267 HydrophobicContact CG2-CE1 3.75Å; I203-F267 HydrophobicContact CG2-CE2 3.82Å; I203-F267 HydrophobicContact CG2-CZ 3.49Å; I203-F267 VanDerWaalsContact CG2-CZ 3.49Å; I203-P320 HydrophobicContact CG2-CB 4.13Å; I203-P320 HydrophobicContact CG2-CG 4.47Å
204C92.9Very high83Confident0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-63.9-35.1177.6-68.90000112.5Y128 N163 I200 Q201Y128-C204 HydrophobicContact CD1-CB 3.83Å; Y128-C204 HydrophobicContact CD2-CB 3.66Å; Y128-C204 HydrophobicContact CE1-CB 3.67Å; Y128-C204 HydrophobicContact CE2-CB 3.48Å; Y128-C204 VanDerWaalsContact CE2-CB 3.48Å; Y128-C204 HydrophobicContact CG-CB 3.84Å; Y128-C204 VanDerWaalsContact CZ-CB 3.5Å; N163-C204 PolarHBondContact ND2-O 2.98Å; I200-C204 PolarHBondContact O-N 2.82Å; I200-C204 PolarHBondContact O-SG 3.47Å; I200-C204 VanDerWaalsContact O-SG 3.33Å; Q201-C204 PolarHBondContact O-N 2.91Å
205T89.6Confident81.1Confident25 Ų2542.3 Ų42.315%0.15323%0.225CC..Hα-helixtrans-83.1-47.9-179.7-54.10000112.6P127 Y128 N163 Q201 A202 I203P127-T205 HydrophobicContact CB-CG2 4.02Å; P127-T205 HydrophobicContact CG-CG2 4.34Å; Y128-T205 VanDerWaalsContact CE1-OG1 3.28Å; Y128-T205 WeakPolarHBondContact CE1-OG1 3.33Å; N163-T205 PolarHBondContact ND2-O 2.89Å; Q201-T205 WeakPolarHBondContact O-CB 3.41Å; Q201-T205 PolarHBondContact O-N 2.87Å; Q201-T205 PolarHBondContact O-OG1 2.86Å; Q201-T205 VanDerWaalsContact O-OG1 3.05Å; A202-T205 PolarHBondContact O-N 2.86Å; I203-T205 VanDerWaalsContact C-N 3.3Å; I203-T205 PolarHBondContact O-N 2.76Å
206F90.3Very high79.7Confident132 Ų13249.4 Ų49.458%0.57926%0.257SS*.Hα-helixtrans-1185.2-166-55.1-65.5000114.3A202A202-F206 WeakPolarHBondContact O-CA 3.4Å; A202-F206 WeakPolarHBondContact O-CB 3.3Å; A202-F206 PolarHBondContact O-N 3.49Å
207N94.6Very high78.6Confident6 Ų651.4 Ų51.43%0.03228%0.278CS..  trans69.9-178.4-174.8-145.6-20.2000113.5L166 I203 D209 S315 I318L166-N207 HydrophobicContact CD1-CB 3.85Å; L166-N207 HydrophobicContact CD2-CB 3.79Å; L166-N207 HydrophobicContact CG-CB 4.44Å; I203-N207 WeakPolarHBondContact O-CA 3.24Å; I203-N207 PolarHBondContact O-N 3.01Å; N207-D209 PolarHBondContact O-N 3.33Å; N207-S315 PolarHBondContact ND2-O 3.09Å; N207-I318 PolarHBondContact ND2-O 3.31Å
208F92.3Very high78.4Confident6 Ų651.9 Ų51.93%0.02628%0.281CS..  trans-73121.3178.8-56.7-88.5000111.4H193 I203 F226 F267 A269 S315 I318 P320H193-F208 HydrophobicContact CB-CE1 3.99Å; H193-F208 HydrophobicContact CB-CZ 4.48Å; H193-F208 AromaticContact CD2-CD1 3.88Å; H193-F208 AromaticContact CD2-CE1 3.5Å; H193-F208 VanDerWaalsContact CD2-CE1 3.5Å; H193-F208 WeakPolarHBondContact CD2-CE1 3.31Å; H193-F208 AromaticContact CG-CE1 3.67Å; H193-F208 AromaticContact NE2-CD1 3.93Å; I203-F208 HydrophobicContact CD1-CD1 4.07Å; I203-F208 HydrophobicContact CD1-CE1 4.12Å; I203-F208 HydrophobicContact CG1-CD1 4.18Å; I203-F208 HydrophobicContact CG1-CE1 4.46Å; I203-F208 HydrophobicContact CG2-CD1 3.8Å; I203-F208 HydrophobicContact CG2-CD2 4.31Å; I203-F208 HydrophobicContact CG2-CE1 3.53Å; I203-F208 HydrophobicContact CG2-CE2 4.07Å; I203-F208 HydrophobicContact CG2-CG 4.18Å; I203-F208 HydrophobicContact CG2-CZ 3.67Å; F208-F226 HydrophobicContact CD1-CZ 4.14Å; F208-F226 HydrophobicContact CD2-CE1 4.38Å; F208-F226 AromaticContact CD2-CZ 3.84Å; F208-F226 HydrophobicContact CD2-CZ 3.84Å; F208-F226 HydrophobicContact CE1-CE1 4.2Å; F208-F226 HydrophobicContact CE1-CZ 4.27Å; F208-F226 HydrophobicContact CE2-CE1 4.07Å; F208-F226 AromaticContact CE2-CZ 4Å; F208-F226 HydrophobicContact CE2-CZ 4Å; F208-F226 AromaticContact CG-CZ 3.93Å; F208-F226 HydrophobicContact CG-CZ 3.93Å; F208-F226 AromaticContact CZ-CE1 3.98Å; F208-F226 HydrophobicContact CZ-CE1 3.98Å; F208-F226 HydrophobicContact CZ-CZ 4.21Å; F208-F267 HydrophobicContact CE1-CB 4.37Å; F208-F267 HydrophobicContact CE1-CD2 4.17Å; F208-F267 HydrophobicContact CE1-CG 4.22Å; F208-F267 HydrophobicContact CZ-CB 4.01Å; F208-F267 HydrophobicContact CZ-CD1 4.34Å; F208-F267 HydrophobicContact CZ-CD2 4.41Å; F208-F267 HydrophobicContact CZ-CG 4.01Å; F208-A269 HydrophobicContact CE2-CB 4.04Å; F208-A269 HydrophobicContact CZ-CB 4.11Å; F208-S315 WeakPolarHBondContact O-CB 3.49Å; F208-I318 HydrophobicContact CB-CD1 4.22Å; F208-I318 HydrophobicContact CD2-CB 4.07Å; F208-I318 HydrophobicContact CD2-CD1 4.18Å; F208-I318 HydrophobicContact CD2-CG2 3.33Å; F208-I318 HydrophobicContact CE2-CB 4.5Å; F208-I318 HydrophobicContact CE2-CG2 3.35Å; F208-I318 HydrophobicContact CG-CG2 4.48Å; F208-P320 HydrophobicContact CE2-CB 3.7Å; F208-P320 HydrophobicContact CE2-CG 4.32Å; F208-P320 HydrophobicContact CZ-CB 3.9Å
209D84.6Confident78.9Confident36 Ų3654.1 Ų54.119%0.19329%0.293CS..  trans-126.8102172.5-168.1-16.1000110.9N207 R211 L212 T213N207-D209 PolarHBondContact O-N 3.33Å; D209-R211 PolarHBondContact O-N 3.07Å; D209-R211 VanDerWaalsContact O-N 3.11Å; D209-R211 WeakPolarHBondContact OD1-CB 3.43Å; D209-R211 WeakPolarHBondContact OD1-CG 3.38Å; D209-R211 IonicContact OD1-CZ 3.56Å; D209-R211 PolarHBondContact OD1-N 3.27Å; D209-R211 IonicContact OD1-NE 3.6Å; D209-R211 PolarHBondContact OD1-NE 2.92Å; D209-R211 IonicContact OD1-NH2 2.72Å; D209-R211 IonicContact OD2-CZ 2.65Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.63Å; D209-R211 IonicContact OD2-NH2 3.94Å; D209-R211 PolarHBondContact OD2-NH2 2.68Å; D209-L212 HydrophobicContact CB-CB 4.37Å; D209-L212 HydrophobicContact CB-CD1 3.95Å; D209-L212 HydrophobicContact CB-CG 3.99Å; D209-L212 PolarHBondContact O-N 3.13Å; D209-T213 PolarHBondContact O-N 3.38Å; D209-T213 PolarHBondContact O-OG1 2.76Å
210W77.5Confident79.3Confident67 Ų6755.6 Ų55.625%0.25430%0.297SS..Hα-helixtrans-60.6-20.2178.966.3-92.2000113.2L212 G214 K222W210-L212 VanDerWaalsContact C-N 3.29Å; W210-G214 PolarHBondContact O-N 2.63Å; W210-K222 VanDerWaalsContact CE2-O 3.3Å; W210-K222 HydrophobicContact CE3-CB 4.27Å; W210-K222 HydrophobicContact CH2-CB 3.68Å; W210-K222 HydrophobicContact CH2-CD 4.4Å; W210-K222 HydrophobicContact CZ2-CB 4.12Å; W210-K222 WeakPolarHBondContact CZ2-O 3.2Å; W210-K222 HydrophobicContact CZ3-CB 3.77Å
211R77.6Confident79.6Confident179 Ų17955.5 Ų55.568%0.67530%0.297SS*.Hα-helixtrans-74-24.2177-55169.5-65.6-179.62.9111.8D209D209-R211 PolarHBondContact O-N 3.07Å; D209-R211 VanDerWaalsContact O-N 3.11Å; D209-R211 WeakPolarHBondContact OD1-CB 3.43Å; D209-R211 WeakPolarHBondContact OD1-CG 3.38Å; D209-R211 IonicContact OD1-CZ 3.56Å; D209-R211 PolarHBondContact OD1-N 3.27Å; D209-R211 IonicContact OD1-NE 3.6Å; D209-R211 PolarHBondContact OD1-NE 2.92Å; D209-R211 IonicContact OD1-NH2 2.72Å; D209-R211 IonicContact OD2-CZ 2.65Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.63Å; D209-R211 IonicContact OD2-NH2 3.94Å; D209-R211 PolarHBondContact OD2-NH2 2.68Å
212L65.4Low79.9Confident123 Ų12358.4 Ų58.464%0.64431%0.309SS*.Hα-helixtrans-91.8-30.3-179.6-61.8-178.5000112.6D209 W210D209-L212 HydrophobicContact CB-CB 4.37Å; D209-L212 HydrophobicContact CB-CD1 3.95Å; D209-L212 HydrophobicContact CB-CG 3.99Å; D209-L212 PolarHBondContact O-N 3.13Å; W210-L212 VanDerWaalsContact C-N 3.29Å
213T55.8Low80.2Confident51 Ų5157.5 Ų57.531%0.31330%0.301SS..Hα-helixtrans-89.8-6.9-176.453.50000113.9D209D209-T213 PolarHBondContact O-N 3.38Å; D209-T213 PolarHBondContact O-OG1 2.76Å
214G52.3Low80.2Confident41 Ų4157.6 Ų57.642%0.42330%0.303SS..  trans74.3145.8-177.100000112.1W210 H216W210-G214 PolarHBondContact O-N 2.63Å; G214-H216 PolarHBondContact O-N 3.45Å
215S54.7Low80.3Confident70 Ų7060.2 Ų60.249%0.4931%0.313SS..  trans-84.497.9-17925.70000111.8G217 D218S215-G217 PolarHBondContact O-N 3.42Å; S215-D218 WeakPolarHBondContact CB-OD1 3.47Å; S215-D218 WeakPolarHBondContact CB-OD2 3.23Å; S215-D218 PolarHBondContact OG-OD2 2.97Å
216H57.9Low80.7Confident163 Ų16359.2 Ų59.276%0.75531%0.306SS*.SBendtrans-89.587.6171.7-66.1-52.3000110.3G214G214-H216 PolarHBondContact O-N 3.45Å
217G60.3Low81.1Confident49 Ų4953 Ų5351%0.50528%0.28SS..  trans74.166.3175.400000112.7S215 V219S215-G217 PolarHBondContact O-N 3.42Å; G217-V219 PolarHBondContact O-N 3.24Å
218D78.8Confident81.2Confident32 Ų3255.8 Ų55.817%0.17129%0.29CS..  trans-65.860172.3-66.6-24.6000111.4S215 Y220 K222 Y225 P281S215-D218 WeakPolarHBondContact CB-OD1 3.47Å; S215-D218 WeakPolarHBondContact CB-OD2 3.23Å; S215-D218 PolarHBondContact OG-OD2 2.97Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 2.94Å; D218-K222 HydrophobicContact CB-CG 4.45Å; D218-Y225 VanDerWaalsContact C-OH 3.31Å; D218-Y225 VanDerWaalsContact CA-OH 3.29Å; D218-Y225 WeakPolarHBondContact CA-OH 3.36Å; D218-P281 WeakPolarHBondContact O-CA 3.49Å; D218-P281 WeakPolarHBondContact O-CB 3.49Å
219V90.3Very high81.5Confident77 Ų7757.1 Ų57.147%0.46730%0.297SS..SBendtrans-71-31.6-175.8-178.50000110.9G217 Y225 P281G217-V219 PolarHBondContact O-N 3.24Å; V219-Y225 PolarHBondContact N-OH 2.92Å; V219-P281 WeakPolarHBondContact O-CD 3.46Å; V219-P281 VanDerWaalsContact O-CG 3.29Å; V219-P281 WeakPolarHBondContact O-CG 3.42Å
220Y94.9Very high82.2Confident62 Ų6255.4 Ų55.424%0.24329%0.288CS..SBendtrans-116.49.6-173.5-56.2-64.3000113D218 Y225 G279 H280 D302 I309D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 2.94Å; Y220-Y225 HydrophobicContact CD2-CE1 4.13Å; Y220-Y225 PolarHBondContact N-OH 3.22Å; Y220-G279 VanDerWaalsContact O-CA 3.25Å; Y220-G279 WeakPolarHBondContact O-CA 3.45Å; Y220-H280 CarbonylContact C-O 3.52Å; Y220-H280 PolarHBondContact O-N 3.45Å; Y220-D302 HydrophobicContact CD2-CB 4.23Å; Y220-D302 HydrophobicContact CE1-CB 3.99Å; Y220-D302 HydrophobicContact CE2-CB 3.64Å; Y220-D302 VanDerWaalsContact CZ-CB 3.49Å; Y220-I309 HydrophobicContact CD2-CG2 4.33Å; Y220-I309 HydrophobicContact CE2-CD1 4.09Å
221G94.4Very high83.1Confident0 Ų057.2 Ų57.20%030%0.298CS..  trans129.9166.5177.300000113.3G223 Y225 H280 Y283G221-G223 PolarHBondContact O-N 3.26Å; G221-Y225 PolarHBondContact N-OH 2.9Å; G221-Y225 VanDerWaalsContact N-OH 3.16Å; G221-Y225 WeakPolarHBondContact O-CE2 3.45Å; G221-Y225 PolarHBondContact O-OH 3.43Å; G221-H280 VanDerWaalsContact CA-O 3.26Å; G221-H280 WeakPolarHBondContact CA-O 3.49Å; G221-H280 PolarHBondContact N-O 2.9Å; G221-Y283 CarbonylContact C-O 3.58Å; G221-Y283 WeakPolarHBondContact CA-O 3.2Å
222K92.9Very high84Confident80 Ų8053.1 Ų53.135%0.34828%0.283SS..SBendtrans-87.883.3178.3-53.8-170.5-178.1175.90109.8W210 D218 Y283 F313W210-K222 VanDerWaalsContact CE2-O 3.3Å; W210-K222 HydrophobicContact CE3-CB 4.27Å; W210-K222 HydrophobicContact CH2-CB 3.68Å; W210-K222 HydrophobicContact CH2-CD 4.4Å; W210-K222 HydrophobicContact CZ2-CB 4.12Å; W210-K222 WeakPolarHBondContact CZ2-O 3.2Å; W210-K222 HydrophobicContact CZ3-CB 3.77Å; D218-K222 HydrophobicContact CB-CG 4.45Å; K222-Y283 PolarHBondContact N-O 3.33Å; K222-F313 WeakPolarHBondContact O-CD1 3.4Å
223G93.6Very high85.4Confident3 Ų347.4 Ų47.43%0.03125%0.253CS..SBendtrans-156-179.4-175.800000111.9G221 Y225 I312G221-G223 PolarHBondContact O-N 3.26Å; G223-Y225 WeakPolarHBondContact O-CD2 3.43Å; G223-Y225 WeakPolarHBondContact O-CE2 3.49Å; G223-I312 CarbonylContact C-O 3.55Å; G223-I312 WeakPolarHBondContact CA-O 3.26Å
224S94.1Very high87.3Confident8 Ų845.9 Ų45.96%0.05625%0.245CC..EExtended strand (participates in β ladder)trans-79.6125.9174.7-62.60000109.9V311 I312S224-V311 WeakPolarHBondContact O-CA 3.44Å; S224-I312 PolarHBondContact N-O 3.29Å; S224-I312 PolarHBondContact O-N 2.87Å
225Y95.3Very high89.2Confident55 Ų5550.2 Ų50.222%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-93.7134.6-176.5-77-110.7000111.6H193 D218 V219 Y220 G221 G223 I309 Y310 V311H193-Y225 PolarHBondContact ND1-O 2.89Å; D218-Y225 VanDerWaalsContact C-OH 3.31Å; D218-Y225 VanDerWaalsContact CA-OH 3.29Å; D218-Y225 WeakPolarHBondContact CA-OH 3.36Å; V219-Y225 PolarHBondContact N-OH 2.92Å; Y220-Y225 HydrophobicContact CD2-CE1 4.13Å; Y220-Y225 PolarHBondContact N-OH 3.22Å; G221-Y225 PolarHBondContact N-OH 2.9Å; G221-Y225 VanDerWaalsContact N-OH 3.16Å; G221-Y225 WeakPolarHBondContact O-CE2 3.45Å; G221-Y225 PolarHBondContact O-OH 3.43Å; G223-Y225 WeakPolarHBondContact O-CD2 3.43Å; G223-Y225 WeakPolarHBondContact O-CE2 3.49Å; Y225-I309 HydrophobicContact CD1-CG2 3.65Å; Y225-I309 HydrophobicContact CE1-CG2 4.21Å; Y225-Y310 WeakPolarHBondContact CA-O 3.37Å; Y225-V311 HydrophobicContact CD1-CG2 3.73Å; Y225-V311 HydrophobicContact CD2-CG1 4.38Å; Y225-V311 HydrophobicContact CD2-CG2 4.36Å; Y225-V311 HydrophobicContact CE1-CG2 3.42Å; Y225-V311 VanDerWaalsContact CE1-CG2 3.42Å; Y225-V311 HydrophobicContact CE2-CG1 4.01Å; Y225-V311 HydrophobicContact CE2-CG2 4.08Å; Y225-V311 HydrophobicContact CG-CG2 4.17Å
226F97.6Very high90.8Very high3 Ų350.7 Ų50.71%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-130.5140.7177.1-66.8-89.5000110.1L191 F192 H193 F208 A269 V271 I309 Y310 I312 I318L191-F226 HydrophobicContact CB-CB 3.69Å; L191-F226 HydrophobicContact CB-CD1 4.31Å; L191-F226 HydrophobicContact CB-CG 4.36Å; L191-F226 HydrophobicContact CD1-CB 3.8Å; L191-F226 HydrophobicContact CG-CB 4.4Å; F192-F226 WeakPolarHBondContact O-CA 3.48Å; H193-F226 HydrophobicContact CB-CD1 3.81Å; H193-F226 HydrophobicContact CB-CE1 3.7Å; F208-F226 HydrophobicContact CD1-CZ 4.14Å; F208-F226 HydrophobicContact CD2-CE1 4.38Å; F208-F226 AromaticContact CD2-CZ 3.84Å; F208-F226 HydrophobicContact CD2-CZ 3.84Å; F208-F226 HydrophobicContact CE1-CE1 4.2Å; F208-F226 HydrophobicContact CE1-CZ 4.27Å; F208-F226 HydrophobicContact CE2-CE1 4.07Å; F208-F226 AromaticContact CE2-CZ 4Å; F208-F226 HydrophobicContact CE2-CZ 4Å; F208-F226 AromaticContact CG-CZ 3.93Å; F208-F226 HydrophobicContact CG-CZ 3.93Å; F208-F226 AromaticContact CZ-CE1 3.98Å; F208-F226 HydrophobicContact CZ-CE1 3.98Å; F208-F226 HydrophobicContact CZ-CZ 4.21Å; F226-A269 HydrophobicContact CD1-CB 4.17Å; F226-A269 HydrophobicContact CE1-CB 3.65Å; F226-V271 HydrophobicContact CD1-CG2 3.99Å; F226-V271 HydrophobicContact CD2-CG2 4.41Å; F226-V271 HydrophobicContact CE1-CG2 4.23Å; F226-V271 HydrophobicContact CG-CG2 4.12Å; F226-I309 CarbonylContact O-C 3.47Å; F226-I309 WeakPolarHBondContact O-CA 3.18Å; F226-Y310 PolarHBondContact N-O 3.11Å; F226-Y310 PolarHBondContact O-N 3.01Å; F226-I312 HydrophobicContact CD2-CG1 3.91Å; F226-I312 HydrophobicContact CE2-CB 4.39Å; F226-I312 HydrophobicContact CE2-CG1 4.12Å; F226-I318 HydrophobicContact CE1-CG2 4.07Å; F226-I318 HydrophobicContact CE2-CD1 3.52Å; F226-I318 HydrophobicContact CE2-CG1 4.01Å; F226-I318 HydrophobicContact CE2-CG2 4.4Å; F226-I318 HydrophobicContact CZ-CB 4.49Å; F226-I318 HydrophobicContact CZ-CD1 3.68Å; F226-I318 HydrophobicContact CZ-CG1 4.08Å; F226-I318 HydrophobicContact CZ-CG2 3.65Å
227A98Very high92.3Very high3 Ų343.1 Ų43.13%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-111.1144179.400000111.5F192 D229 Y232 S233 K308F192-A227 PolarHBondContact N-O 3.35Å; F192-A227 PolarHBondContact O-N 3.03Å; A227-D229 VanDerWaalsContact C-N 3.3Å; A227-Y232 HydrophobicContact CB-CD1 3.7Å; A227-Y232 HydrophobicContact CB-CG 4.23Å; A227-S233 VanDerWaalsContact CB-OG 3.31Å; A227-S233 WeakPolarHBondContact CB-OG 3.43Å; A227-K308 CarbonylContact C-O 3.58Å; A227-K308 VanDerWaalsContact CA-O 3.3Å; A227-K308 WeakPolarHBondContact CA-O 3.29Å
228R97.8Very high93Very high63 Ų6345.9 Ų45.924%0.23821%0.21CC..SBendtrans-65-38.2169.1-175.2-165.670.2-162.3-1.5111.7L191 F192 N306 K308L191-R228 HydrophobicContact CD2-CB 4.47Å; F192-R228 WeakPolarHBondContact CD2-O 3.45Å; R228-N306 PolarHBondContact NH1-OD1 3.4Å; R228-K308 PolarHBondContact N-O 3.49Å
229D98.2Very high92Very high34 Ų3448.3 Ų48.318%0.18223%0.226CC..SBendtrans-103.6121.9-171.2-62.9-18.5000110.2T150 A227 K231 Y232 S233T150-D229 HydrophobicContact CG2-CB 3.79Å; A227-D229 VanDerWaalsContact C-N 3.3Å; D229-K231 PolarHBondContact O-N 2.93Å; D229-Y232 WeakPolarHBondContact O-CB 3.4Å; D229-Y232 PolarHBondContact O-N 3.18Å; D229-S233 PolarHBondContact O-N 3.17Å
230A98.1Very high90.1Very high0 Ų047.3 Ų47.30%022%0.22CC..Hα-helixtrans-56.1-34.617800000112.7Y147 T150 M151 F192 Y232 S233 S234 M266Y147-A230 HydrophobicContact CD2-CB 3.94Å; Y147-A230 HydrophobicContact CE2-CB 4.44Å; Y147-A230 HydrophobicContact CG-CB 4.48Å; T150-A230 PolarHBondContact OG1-N 3.34Å; T150-A230 VanDerWaalsContact OG1-N 3.1Å; M151-A230 HydrophobicContact CB-CB 4.46Å; M151-A230 HydrophobicContact CG-CB 3.41Å; M151-A230 VanDerWaalsContact CG-CB 3.41Å; F192-A230 HydrophobicContact CD1-CB 3.86Å; F192-A230 HydrophobicContact CD2-CB 3.83Å; F192-A230 HydrophobicContact CE1-CB 3.78Å; F192-A230 HydrophobicContact CE2-CB 3.77Å; F192-A230 HydrophobicContact CG-CB 3.88Å; F192-A230 HydrophobicContact CZ-CB 3.75Å; A230-Y232 PolarHBondContact O-N 3.21Å; A230-S233 PolarHBondContact O-N 3.38Å; A230-S233 VanDerWaalsContact O-N 3.16Å; A230-S234 PolarHBondContact O-N 2.9Å; A230-M266 HydrophobicContact CB-SD 4.02Å
231K97.5Very high87.8Confident105 Ų10547.5 Ų47.546%0.45724%0.241SC..Hα-helixtrans-63.2-26.3175.8-172.9166.3-172.3154.20114.5T150 M151 D152 D229 S234T150-K231 WeakPolarHBondContact O-CB 3.24Å; T150-K231 VanDerWaalsContact O-CD 3.3Å; T150-K231 WeakPolarHBondContact O-CD 3.23Å; T150-K231 PolarHBondContact OG1-N 3.19Å; M151-K231 HydrophobicContact CG-CB 4.4Å; M151-K231 WeakPolarHBondContact SD-CA 3.26Å; M151-K231 HydrophobicContact SD-CB 3.83Å; M151-K231 HydrophobicContact SD-CG 4.31Å; D152-K231 IonicContact OD2-NZ 3.87Å; D229-K231 PolarHBondContact O-N 2.93Å; K231-S234 PolarHBondContact O-OG 3.02Å; K231-S234 VanDerWaalsContact O-OG 3.05Å
232Y95.7Very high85.5Confident93 Ų9356.3 Ų56.337%0.36528%0.279SS..Hα-helixtrans-74.3-47.7172.8-172.1-90000110.2A227 D229 A230 S234 K235 F236 I309A227-Y232 HydrophobicContact CB-CD1 3.7Å; A227-Y232 HydrophobicContact CB-CG 4.23Å; D229-Y232 WeakPolarHBondContact O-CB 3.4Å; D229-Y232 PolarHBondContact O-N 3.18Å; A230-Y232 PolarHBondContact O-N 3.21Å; Y232-S234 VanDerWaalsContact C-N 3.32Å; Y232-S234 PolarHBondContact O-N 2.85Å; Y232-K235 WeakPolarHBondContact O-CB 3.43Å; Y232-K235 PolarHBondContact O-N 3.05Å; Y232-F236 AromaticContact CD1-CE2 3.91Å; Y232-F236 HydrophobicContact CD1-CE2 3.91Å; Y232-F236 AromaticContact CE1-CE2 3.54Å; Y232-F236 HydrophobicContact CE1-CE2 3.54Å; Y232-F236 HydrophobicContact CE1-CZ 4.04Å; Y232-I309 HydrophobicContact CE1-CD1 3.96Å; Y232-I309 HydrophobicContact CE1-CG1 4.2Å; Y232-I309 HydrophobicContact CE2-CD1 4.33Å; Y232-I309 WeakPolarHBondContact OH-CD1 3.41Å
233S95.5Very high83.4Confident4 Ų455.8 Ų55.83%0.02828%0.278CS..Hα-helixtrans-63.6-33179.3-69.20000113.5F192 G194 A227 D229 A230 K235 F236F192-S233 WeakPolarHBondContact CB-OG 3.37Å; F192-S233 PolarHBondContact O-OG 3.39Å; G194-S233 WeakPolarHBondContact CA-O 3.46Å; A227-S233 VanDerWaalsContact CB-OG 3.31Å; A227-S233 WeakPolarHBondContact CB-OG 3.43Å; D229-S233 PolarHBondContact O-N 3.17Å; A230-S233 PolarHBondContact O-N 3.38Å; A230-S233 VanDerWaalsContact O-N 3.16Å; S233-K235 PolarHBondContact O-N 3.42Å; S233-K235 VanDerWaalsContact O-N 3.07Å; S233-F236 PolarHBondContact O-N 2.91Å
234S94.4Very high81.2Confident19 Ų1959 Ų5913%0.13330%0.295CS..G310 helixtrans-60.1-22.2179.571.50000114A230 K231 Y232 F236 C237A230-S234 PolarHBondContact O-N 2.9Å; K231-S234 PolarHBondContact O-OG 3.02Å; K231-S234 VanDerWaalsContact O-OG 3.05Å; Y232-S234 VanDerWaalsContact C-N 3.32Å; Y232-S234 PolarHBondContact O-N 2.85Å; S234-F236 PolarHBondContact O-N 3.15Å; S234-C237 WeakPolarHBondContact O-CB 3.47Å; S234-C237 PolarHBondContact O-N 3.29Å
235K92.1Very high79Confident132 Ų13262.4 Ų62.457%0.57432%0.315SS*.G310 helixtrans-65.3-25.7174.8-61.4177.2-175.41770113Y232 S233 H238Y232-K235 WeakPolarHBondContact O-CB 3.43Å; Y232-K235 PolarHBondContact O-N 3.05Å; S233-K235 PolarHBondContact O-N 3.42Å; S233-K235 VanDerWaalsContact O-N 3.07Å; K235-H238 PolarHBondContact O-CE1 2.9Å; K235-H238 PolarHBondContact O-NE2 3.46Å; K235-H238 VanDerWaalsContact O-NE2 3.15Å
236F89.8Confident76.8Confident80 Ų8063.7 Ų63.735%0.35133%0.329SS..G310 helixtrans-98.8-4.6-179.2-55-85.9000112.7G194 T195 Y232 S233 S234 H238G194-F236 WeakPolarHBondContact O-CB 3.39Å; T195-F236 CarbonylContact C-O 3.49Å; Y232-F236 AromaticContact CD1-CE2 3.91Å; Y232-F236 HydrophobicContact CD1-CE2 3.91Å; Y232-F236 AromaticContact CE1-CE2 3.54Å; Y232-F236 HydrophobicContact CE1-CE2 3.54Å; Y232-F236 HydrophobicContact CE1-CZ 4.04Å; S233-F236 PolarHBondContact O-N 2.91Å; S234-F236 PolarHBondContact O-N 3.15Å; F236-H238 PolarHBondContact O-N 2.84Å
237C88.3Confident74.4Confident3 Ų365.8 Ų65.82%0.0234%0.34CS..  trans-76.670.1172.5-59.30000109.8G194 S234 K264 T265 F326G194-C237 VanDerWaalsContact CA-SG 3.57Å; S234-C237 WeakPolarHBondContact O-CB 3.47Å; S234-C237 PolarHBondContact O-N 3.29Å; C237-K264 HydrophobicContact CB-CB 4Å; C237-K264 HydrophobicContact CB-CD 4.07Å; C237-K264 HydrophobicContact CB-CG 4.22Å; C237-K264 WeakPolarHBondContact O-CD 3.46Å; C237-K264 WeakPolarHBondContact O-CE 3.32Å; C237-T265 PolarHBondContact SG-O 3.12Å; C237-F326 HydrophobicContact CB-CZ 4.17Å
238H75.4Confident72.1Confident107 Ų10770.3 Ų70.350%0.49536%0.361SS..  trans-87.9136.7179.5-59.3-60.6000111G196 K235 F236 T240G196-H238 VanDerWaalsContact CA-O 3.28Å; G196-H238 WeakPolarHBondContact CA-O 3.46Å; K235-H238 PolarHBondContact O-CE1 2.9Å; K235-H238 PolarHBondContact O-NE2 3.46Å; K235-H238 VanDerWaalsContact O-NE2 3.15Å; F236-H238 PolarHBondContact O-N 2.84Å; H238-T240 VanDerWaalsContact C-N 3.26Å; H238-T240 HydrophobicContact CB-CG2 3.86Å; H238-T240 PolarHBondContact O-N 3.01Å; H238-T240 VanDerWaalsContact O-N 3.1Å
239T57Low69.7Low84 Ų8477.5 Ų77.552%0.51539%0.388SS..  trans-74.284156.337.20000107.3G241 E260T239-G241 PolarHBondContact O-N 3.11Å; T239-E260 WeakPolarHBondContact CA-OE1 3.4Å; T239-E260 WeakPolarHBondContact CB-OE2 2.96Å
240T51.9Low67.5Low55 Ų5582.6 Ų82.634%0.33741%0.41SS..  trans-80.696.8174.450.20000108.5H238 K242 E260H238-T240 VanDerWaalsContact C-N 3.26Å; H238-T240 HydrophobicContact CB-CG2 3.86Å; H238-T240 PolarHBondContact O-N 3.01Å; H238-T240 VanDerWaalsContact O-N 3.1Å; T240-K242 CarbonylContact O-C 3.56Å; T240-K242 PolarHBondContact O-N 3.22Å; T240-E260 PolarHBondContact N-OE1 3.39Å
241G45.3Very low65.3Low66 Ų6686 Ų8668%0.6845%0.445SS*.SBendtrans-60.320.3168.400000115.4T239T239-G241 PolarHBondContact O-N 3.11Å
242K46.1Very low63.2Low185 Ų18586.1 Ų86.180%0.80445%0.45SS*.SBendtrans-11784.9166.4-66.4-173.5-179.5-178.90107.2T240 N244T240-K242 CarbonylContact O-C 3.56Å; T240-K242 PolarHBondContact O-N 3.22Å; K242-N244 PolarHBondContact O-N 3.1Å
243H49.8Very low61.2Low69 Ų6983.4 Ų83.432%0.31945%0.447SS..  trans-46.3128.3167.6-80.8-90.7000109.2T245H243-T245 PolarHBondContact O-N 2.98Å
244N46.7Very low59.2Low72 Ų7285.5 Ų85.539%0.38546%0.461SS..  trans-6690.9161.9-165.4-17.3000106.6K242 T246K242-N244 PolarHBondContact O-N 3.1Å; N244-T246 PolarHBondContact O-N 3.15Å; N244-T246 WeakPolarHBondContact OD1-CB 3.39Å; N244-T246 PolarHBondContact OD1-OG1 2.97Å
245T47.6Very low57.3Low78 Ų7890.2 Ų90.248%0.47949%0.491SS..Hα-helixtrans-60.8-2.3-177.545.20000113.8H243 R249H243-T245 PolarHBondContact O-N 2.98Å; T245-R249 PolarHBondContact O-N 3.39Å
246T49.6Very low55.5Low83 Ų8389.6 Ų89.651%0.50949%0.493SS..Hα-helixtrans-73.9-36.5-174.4-390000112.3N244 H250N244-T246 PolarHBondContact O-N 3.15Å; N244-T246 WeakPolarHBondContact OD1-CB 3.39Å; N244-T246 PolarHBondContact OD1-OG1 2.97Å; T246-H250 PolarHBondContact O-CD2 2.91Å
247L48.4Very low54Low46 Ų4687 Ų8724%0.24148%0.481CS..Hα-helixtrans-83.4-29.8179-70.6171.5000113.5A202 R249 H250A202-L247 HydrophobicContact CB-CD1 3.84Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.78Å; L247-H250 PolarHBondContact O-N 2.78Å
248Q48.1Very low52.6Low99 Ų9989.5 Ų89.546%0.46350%0.502SS..Hα-helixtrans-64.8-32.9173.1-77.8-178.2-7.800112.2H250 G251 A253Q248-H250 PolarHBondContact O-N 3.35Å; Q248-H250 VanDerWaalsContact O-N 3.16Å; Q248-G251 PolarHBondContact O-N 2.93Å; Q248-A253 HydrophobicContact CG-CB 4.44Å
249R48Very low52Low213 Ų21390.8 Ų90.880%0.80451%0.512SS*.THydrogen-bonded Turntrans-63.2-19.2178.4-86.4-174.4-170.8176.24.2114.6T245 L247T245-R249 PolarHBondContact O-N 3.39Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.78Å
250H53Low52.6Low141 Ų14189.8 Ų89.865%0.65350%0.502SS*.THydrogen-bonded Turntrans-106.87.2-178.2-68.3-70.7000113.9T246 L247 Q248 L252T246-H250 PolarHBondContact O-CD2 2.91Å; L247-H250 PolarHBondContact O-N 2.78Å; Q248-H250 PolarHBondContact O-N 3.35Å; Q248-H250 VanDerWaalsContact O-N 3.16Å; H250-L252 HydrophobicContact CB-CD1 4.3Å; H250-L252 HydrophobicContact CB-CG 4.48Å; H250-L252 PolarHBondContact O-N 3.23Å; H250-L252 VanDerWaalsContact O-N 3.16Å
251G51.2Low53.8Low71 Ų7188 Ų8873%0.73249%0.491SS*.THydrogen-bonded Turntrans68.211.7175.200000114.9Q248Q248-G251 PolarHBondContact O-N 2.93Å
252L53.5Low55.6Low109 Ų10990.4 Ų90.457%0.57150%0.495SS*.  trans-87.7-7.9-177-67.9168.3000113Q201 H250 P254Q201-L252 PolarHBondContact NE2-O 2.91Å; H250-L252 HydrophobicContact CB-CD1 4.3Å; H250-L252 HydrophobicContact CB-CG 4.48Å; H250-L252 PolarHBondContact O-N 3.23Å; H250-L252 VanDerWaalsContact O-N 3.16Å; L252-P254 VanDerWaalsContact O-CD 3.29Å; L252-P254 WeakPolarHBondContact O-CD 3.47Å
253A52.5Low57.6Low35 Ų3583.5 Ų83.529%0.28946%0.464SS..SBendtrans-85.7115.2-177.100000111.9Q201 Q248Q201-A253 VanDerWaalsContact OE1-CA 3.23Å; Q248-A253 HydrophobicContact CG-CB 4.44Å
254P55.3Low59.6Low49 Ų4984 Ų8432%0.31847%0.465SS..  trans-61.3152.5176.3-20.330.3000111.7Q201 L252 I256 F257Q201-P254 VanDerWaalsContact CD-CD 3.45Å; L252-P254 VanDerWaalsContact O-CD 3.29Å; L252-P254 WeakPolarHBondContact O-CD 3.47Å; P254-I256 HydrophobicContact CB-CG1 4.2Å; P254-I256 PolarHBondContact O-N 3.23Å; P254-F257 HydrophobicContact CG-CD2 4.43Å; P254-F257 HydrophobicContact CG-CE2 4.44Å; P254-F257 PolarHBondContact O-N 2.97Å; P254-F257 VanDerWaalsContact O-N 3.1Å
255P54.3Low61.8Low118 Ų11881 Ų8177%0.76645%0.449SS*.G310 helixtrans-54.9-24-178.3-2633.6000114.8F257 A258P255-F257 PolarHBondContact O-N 3.32Å; P255-F257 VanDerWaalsContact O-N 3.15Å; P255-A258 WeakPolarHBondContact O-CB 3.34Å; P255-A258 PolarHBondContact O-N 3.43Å; P255-A258 VanDerWaalsContact O-N 3.1Å
256I54.1Low64.1Low119 Ų11977.2 Ų77.261%0.6143%0.426SS*.G310 helixtrans-62.7-18.5179.872.6-176.4000113.6P254P254-I256 HydrophobicContact CB-CG1 4.2Å; P254-I256 PolarHBondContact O-N 3.23Å
257F58.3Low66.5Low25 Ų2573.3 Ų73.311%0.1140%0.402CS..G310 helixtrans-10212.8178.1-61.3-73.3000113.1H197 I200 Q201 P254 P255 N259H197-F257 AromaticContact CE1-CD1 3.85Å; H197-F257 AromaticContact NE2-CD1 3.49Å; H197-F257 WeakPolarHBondContact NE2-CD1 3.49Å; I200-F257 HydrophobicContact CB-CE1 4.09Å; I200-F257 HydrophobicContact CG2-CE1 3.96Å; I200-F257 HydrophobicContact CG2-CZ 4.18Å; Q201-F257 HydrophobicContact CB-CD2 4.16Å; Q201-F257 HydrophobicContact CB-CE2 3.81Å; Q201-F257 HydrophobicContact CB-CZ 4.04Å; Q201-F257 HydrophobicContact CG-CD2 4.35Å; Q201-F257 HydrophobicContact CG-CE2 3.96Å; P254-F257 HydrophobicContact CG-CD2 4.43Å; P254-F257 HydrophobicContact CG-CE2 4.44Å; P254-F257 PolarHBondContact O-N 2.97Å; P254-F257 VanDerWaalsContact O-N 3.1Å; P255-F257 PolarHBondContact O-N 3.32Å; P255-F257 VanDerWaalsContact O-N 3.15Å; F257-N259 VanDerWaalsContact C-N 3.33Å; F257-N259 PolarHBondContact O-N 3.24Å
258A58.1Low68.8Low55 Ų5571.1 Ų71.146%0.45539%0.391SS..SBendtrans-68.6-29.4-176.900000113.4P255P255-A258 WeakPolarHBondContact O-CB 3.34Å; P255-A258 PolarHBondContact O-N 3.43Å; P255-A258 VanDerWaalsContact O-N 3.1Å
259N63.6Low71.2Confident135 Ų13566.4 Ų66.472%0.72237%0.369SS*.SBendtrans-129.9144.6180-66.4-41000110.6F257F257-N259 VanDerWaalsContact C-N 3.33Å; F257-N259 PolarHBondContact O-N 3.24Å
260E68.4Low73.6Confident63 Ų6359 Ų5929%0.29434%0.341SS..  trans-65.3129.4171.4-72.6-163.5140.600110.5T239 T240T239-E260 WeakPolarHBondContact CA-OE1 3.4Å; T239-E260 WeakPolarHBondContact CB-OE2 2.96Å; T240-E260 PolarHBondContact N-OE1 3.39Å
261P78.5Confident75.7Confident16 Ų1652.2 Ų52.210%0.10431%0.31CS..  trans-72.1156.5178.326.6-32.1000111.7H197 Y263H197-P261 VanDerWaalsContact CE1-CD 3.43Å; H197-P261 WeakPolarHBondContact CE1-CD 3.24Å; H197-P261 WeakPolarHBondContact ND1-CD 3.41Å; H197-P261 WeakPolarHBondContact ND1-CG 3.42Å; P261-Y263 HydrophobicContact CB-CD1 3.6Å; P261-Y263 HydrophobicContact CB-CD2 3.96Å; P261-Y263 HydrophobicContact CB-CE1 3.27Å; P261-Y263 HydrophobicContact CB-CE2 3.68Å; P261-Y263 HydrophobicContact CB-CG 3.93Å; P261-Y263 HydrophobicContact CG-CD2 4.08Å; P261-Y263 HydrophobicContact CG-CE1 4.29Å; P261-Y263 HydrophobicContact CG-CE2 3.78Å; P261-Y263 HydrophobicContact CG-CG 4.47Å; P261-Y263 PolarHBondContact O-N 3.05Å
262P82.4Confident77.9Confident117 Ų11748.9 Ų48.976%0.7628%0.275SS*.SBendtrans-7619.5174.834.9-37.7000113
263Y87.9Confident80Confident40 Ų4043.7 Ų43.716%0.15725%0.248CC..SBendtrans-139.5156-176.456.5-99.5000109.8K156 P261 E325 F326K156-Y263 HydrophobicContact CD-CD1 3.43Å; K156-Y263 VanDerWaalsContact CD-CD1 3.43Å; K156-Y263 HydrophobicContact CD-CD2 4.18Å; K156-Y263 HydrophobicContact CD-CE1 3.68Å; K156-Y263 HydrophobicContact CD-CE2 4.38Å; K156-Y263 HydrophobicContact CD-CG 3.69Å; K156-Y263 PolarHBondContact NZ-OH 3.29Å; P261-Y263 HydrophobicContact CB-CD1 3.6Å; P261-Y263 HydrophobicContact CB-CD2 3.96Å; P261-Y263 HydrophobicContact CB-CE1 3.27Å; P261-Y263 HydrophobicContact CB-CE2 3.68Å; P261-Y263 HydrophobicContact CB-CG 3.93Å; P261-Y263 HydrophobicContact CG-CD2 4.08Å; P261-Y263 HydrophobicContact CG-CE1 4.29Å; P261-Y263 HydrophobicContact CG-CE2 3.78Å; P261-Y263 HydrophobicContact CG-CG 4.47Å; P261-Y263 PolarHBondContact O-N 3.05Å; Y263-E325 HydrophobicContact CD2-CB 3.83Å; Y263-E325 HydrophobicContact CD2-CG 4.08Å; Y263-E325 HydrophobicContact CE2-CB 3.85Å; Y263-E325 HydrophobicContact CE2-CG 3.6Å; Y263-E325 VanDerWaalsContact CE2-OE1 3.24Å; Y263-E325 WeakPolarHBondContact CE2-OE1 3.41Å; Y263-E325 PolarHBondContact OH-OE1 2.94Å; Y263-E325 PolarHBondContact OH-OE2 3.44Å; Y263-F326 WeakPolarHBondContact CB-O 3.19Å
264K92.1Very high82Confident80 Ų8042.2 Ų42.235%0.34824%0.236SC..EExtended strand (participates in β ladder)trans-89.1160.2177-71.5178.1179.7176.90111C237 E325 F326C237-K264 HydrophobicContact CB-CB 4Å; C237-K264 HydrophobicContact CB-CD 4.07Å; C237-K264 HydrophobicContact CB-CG 4.22Å; C237-K264 WeakPolarHBondContact O-CD 3.46Å; C237-K264 WeakPolarHBondContact O-CE 3.32Å; K264-E325 WeakPolarHBondContact O-CA 3.38Å; K264-F326 HydrophobicContact CB-CD1 4.29Å; K264-F326 HydrophobicContact CB-CD2 4.19Å; K264-F326 HydrophobicContact CB-CE1 3.74Å; K264-F326 HydrophobicContact CB-CE2 3.66Å; K264-F326 HydrophobicContact CB-CG 4.49Å; K264-F326 HydrophobicContact CB-CZ 3.4Å; K264-F326 HydrophobicContact CD-CE2 3.91Å; K264-F326 HydrophobicContact CD-CZ 4.07Å; K264-F326 HydrophobicContact CG-CE2 4.42Å; K264-F326 HydrophobicContact CG-CZ 4.39Å; K264-F326 PolarHBondContact N-O 3.43Å; K264-F326 PolarHBondContact O-N 3.44Å
265T92.9Very high84Confident8 Ų844.1 Ų44.15%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-136.6140178.7-43.10000111.1I200 C237 L323 I324 E325I200-T265 HydrophobicContact CD1-CG2 3.78Å; C237-T265 PolarHBondContact SG-O 3.12Å; T265-L323 HydrophobicContact CG2-CD1 3.29Å; T265-L323 HydrophobicContact CG2-CD2 3.94Å; T265-L323 HydrophobicContact CG2-CG 3.38Å; T265-I324 VanDerWaalsContact CA-O 3.3Å; T265-I324 WeakPolarHBondContact CA-O 3.35Å; T265-I324 WeakPolarHBondContact CG2-O 3.35Å; T265-E325 HydrophobicContact CG2-CG 4.38Å
266M96.6Very high86Confident0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-136.7156.3169.361.6178.769.200110.6Y147 M151 F192 A230 I324 F326Y147-M266 HydrophobicContact CD2-SD 4.14Å; Y147-M266 HydrophobicContact CE2-CE 4.11Å; Y147-M266 HydrophobicContact CE2-SD 4.06Å; M151-M266 HydrophobicContact CE-CE 4.42Å; F192-M266 HydrophobicContact CB-SD 4.47Å; F192-M266 HydrophobicContact CD1-CG 4.47Å; F192-M266 HydrophobicContact CD1-SD 3.62Å; F192-M266 HydrophobicContact CE1-SD 4.25Å; F192-M266 HydrophobicContact CG-SD 4.33Å; A230-M266 HydrophobicContact CB-SD 4.02Å; M266-I324 HydrophobicContact CG-CB 4.1Å; M266-I324 PolarHBondContact N-O 2.88Å; M266-I324 PolarHBondContact O-N 3.37Å; M266-F326 HydrophobicContact CB-CE1 4.32Å; M266-F326 HydrophobicContact CE-CD1 4.19Å; M266-F326 HydrophobicContact CE-CE1 3.31Å; M266-F326 HydrophobicContact CE-CE2 4.28Å; M266-F326 HydrophobicContact CE-CZ 3.36Å; M266-F326 HydrophobicContact CG-CD1 4.44Å; M266-F326 HydrophobicContact CG-CE1 3.91Å; M266-F326 HydrophobicContact SD-CE1 4.33Å
267F98.3Very high88.1Confident0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-88.9144.4169.4-69.4-91.4000110.3I161 F192 H193 T195 I200 I203 F208 P320 Y322 L323I161-F267 HydrophobicContact CD1-CD1 3.7Å; I161-F267 HydrophobicContact CD1-CE1 3.52Å; F192-F267 CarbonylContact C-O 3.51Å; F192-F267 VanDerWaalsContact CA-O 3.28Å; F192-F267 WeakPolarHBondContact CA-O 3.47Å; H193-F267 HydrophobicContact CB-CB 4.31Å; H193-F267 PolarHBondContact N-O 3.41Å; H193-F267 PolarHBondContact O-N 2.91Å; T195-F267 HydrophobicContact CG2-CD2 4.08Å; T195-F267 HydrophobicContact CG2-CE2 3.82Å; I200-F267 HydrophobicContact CB-CZ 4.4Å; I200-F267 HydrophobicContact CG1-CE2 4.33Å; I200-F267 HydrophobicContact CG2-CZ 4.06Å; I203-F267 HydrophobicContact CB-CE1 4.43Å; I203-F267 HydrophobicContact CB-CE2 4.03Å; I203-F267 HydrophobicContact CB-CZ 3.74Å; I203-F267 HydrophobicContact CD1-CD2 4.34Å; I203-F267 HydrophobicContact CD1-CE2 3.73Å; I203-F267 HydrophobicContact CD1-CZ 4.33Å; I203-F267 HydrophobicContact CG2-CD1 4.29Å; I203-F267 HydrophobicContact CG2-CD2 4.32Å; I203-F267 HydrophobicContact CG2-CE1 3.75Å; I203-F267 HydrophobicContact CG2-CE2 3.82Å; I203-F267 HydrophobicContact CG2-CZ 3.49Å; I203-F267 VanDerWaalsContact CG2-CZ 3.49Å; F208-F267 HydrophobicContact CE1-CB 4.37Å; F208-F267 HydrophobicContact CE1-CD2 4.17Å; F208-F267 HydrophobicContact CE1-CG 4.22Å; F208-F267 HydrophobicContact CZ-CB 4.01Å; F208-F267 HydrophobicContact CZ-CD1 4.34Å; F208-F267 HydrophobicContact CZ-CD2 4.41Å; F208-F267 HydrophobicContact CZ-CG 4.01Å; F267-P320 HydrophobicContact CD1-CB 3.84Å; F267-P320 HydrophobicContact CE1-CB 4.04Å; F267-Y322 CarbonylContact C-O 3.56Å; F267-Y322 VanDerWaalsContact CA-O 3.29Å; F267-Y322 WeakPolarHBondContact CA-O 2.86Å; F267-L323 HydrophobicContact CD1-CD1 3.93Å; F267-L323 HydrophobicContact CD2-CD1 4.23Å; F267-L323 HydrophobicContact CE1-CD1 3.65Å; F267-L323 HydrophobicContact CE2-CD1 3.94Å; F267-L323 HydrophobicContact CG-CD1 4.22Å; F267-L323 HydrophobicContact CZ-CD1 3.65Å
268L98.3Very high90Very high1 Ų138.1 Ų38.11%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-109.4108.3155.6178.568000106.7V143 L146 M190 F192 E321 Y322 I324V143-L268 HydrophobicContact CB-CD2 4.39Å; V143-L268 HydrophobicContact CG1-CD2 3.78Å; V143-L268 HydrophobicContact CG2-CD2 4.23Å; L146-L268 HydrophobicContact CD1-CD2 3.92Å; M190-L268 HydrophobicContact CB-CD1 3.94Å; M190-L268 HydrophobicContact CB-CD2 4.49Å; M190-L268 HydrophobicContact CB-CG 4.29Å; M190-L268 HydrophobicContact CE-CD2 4Å; M190-L268 HydrophobicContact CE-CG 3.72Å; F192-L268 HydrophobicContact CD1-CB 4.27Å; F192-L268 HydrophobicContact CD1-CD1 3.88Å; F192-L268 HydrophobicContact CD2-CD1 4.25Å; F192-L268 HydrophobicContact CE1-CB 4.21Å; F192-L268 HydrophobicContact CE1-CD1 3.73Å; F192-L268 HydrophobicContact CE1-CG 4.38Å; F192-L268 HydrophobicContact CE2-CD1 4.1Å; F192-L268 HydrophobicContact CG-CD1 4.14Å; F192-L268 HydrophobicContact CZ-CD1 3.83Å; L268-E321 PolarHBondContact O-N 2.84Å; L268-Y322 HydrophobicContact CD2-CD2 4.18Å; L268-Y322 PolarHBondContact N-O 3.49Å; L268-Y322 PolarHBondContact O-N 3.26Å; L268-I324 HydrophobicContact CB-CD1 3.97Å
269A98.1Very high91.9Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-105.2148.4-17300000111.2M190 L191 F208 F226 V271 I318 Y319M190-A269 CarbonylContact C-O 3.48Å; M190-A269 WeakPolarHBondContact CA-O 3.45Å; L191-A269 PolarHBondContact N-O 3.37Å; L191-A269 PolarHBondContact O-N 2.92Å; F208-A269 HydrophobicContact CE2-CB 4.04Å; F208-A269 HydrophobicContact CZ-CB 4.11Å; F226-A269 HydrophobicContact CD1-CB 4.17Å; F226-A269 HydrophobicContact CE1-CB 3.65Å; A269-V271 HydrophobicContact CB-CG2 4.19Å; A269-I318 HydrophobicContact CB-CG2 3.94Å; A269-Y319 CarbonylContact C-O 3.52Å; A269-Y319 VanDerWaalsContact CA-O 3.3Å; A269-Y319 WeakPolarHBondContact CA-O 3.41Å; A269-Y319 WeakPolarHBondContact CB-O 3.33Å
270R97.5Very high93.4Very high56 Ų5633.2 Ų33.221%0.21117%0.171CC..EExtended strand (participates in β ladder)trans-86.8123.8168.5-169.2-178.9-66.8-84-0.4108.6F170 E188 M190 I318 Y319 E321F170-R270 HydrophobicContact CE1-CG 4.16Å; F170-R270 HydrophobicContact CE2-CG 4.26Å; F170-R270 HydrophobicContact CZ-CB 4.3Å; F170-R270 HydrophobicContact CZ-CG 3.61Å; E188-R270 VanDerWaalsContact CD-CG 3.45Å; E188-R270 HydrophobicContact CG-CG 3.72Å; E188-R270 WeakPolarHBondContact OE1-CD 3.07Å; E188-R270 WeakPolarHBondContact OE1-CG 3.37Å; E188-R270 IonicContact OE1-CZ 2.7Å; E188-R270 IonicContact OE1-NE 2.7Å; E188-R270 IonicContact OE1-NH1 2.77Å; E188-R270 PolarHBondContact OE1-NH1 3.31Å; M190-R270 HydrophobicContact CE-CB 4.47Å; M190-R270 HydrophobicContact SD-CB 3.85Å; M190-R270 HydrophobicContact SD-CG 4.08Å; R270-I318 WeakPolarHBondContact O-CA 3.43Å; R270-Y319 PolarHBondContact N-O 3.48Å; R270-Y319 PolarHBondContact O-N 3.15Å; R270-E321 IonicContact CZ-OE1 3.53Å; R270-E321 IonicContact CZ-OE2 2.66Å; R270-E321 IonicContact NE-OE1 2.81Å; R270-E321 IonicContact NE-OE2 2.97Å; R270-E321 PolarHBondContact NE-OE2 3.29Å; R270-E321 IonicContact NH2-OE1 3.19Å; R270-E321 PolarHBondContact NH2-OE1 3.01Å; R270-E321 IonicContact NH2-OE2 2.98Å; R270-E321 PolarHBondContact NH2-OE2 3.5Å
271V97.8Very high94.7Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-130124.9-169.8-175.50000110.6E188 R189 L191 F226 A269 V273 I312 Q317 I318E188-V271 CarbonylContact C-O 3.6Å; E188-V271 VanDerWaalsContact CA-O 3.28Å; E188-V271 WeakPolarHBondContact CA-O 3.08Å; R189-V271 PolarHBondContact N-O 3.06Å; R189-V271 PolarHBondContact O-N 3.18Å; L191-V271 HydrophobicContact CB-CG2 4.31Å; L191-V271 HydrophobicContact CD1-CB 4.1Å; L191-V271 HydrophobicContact CD1-CG1 4.35Å; L191-V271 HydrophobicContact CD1-CG2 4.16Å; F226-V271 HydrophobicContact CD1-CG2 3.99Å; F226-V271 HydrophobicContact CD2-CG2 4.41Å; F226-V271 HydrophobicContact CE1-CG2 4.23Å; F226-V271 HydrophobicContact CG-CG2 4.12Å; A269-V271 HydrophobicContact CB-CG2 4.19Å; V271-V273 VanDerWaalsContact C-N 3.35Å; V271-V273 HydrophobicContact CB-CG1 4.24Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 PolarHBondContact O-N 3.06Å; V271-V273 VanDerWaalsContact O-N 3.07Å; V271-I312 HydrophobicContact CG1-CD1 3.47Å; V271-I312 VanDerWaalsContact CG1-CD1 3.47Å; V271-I312 HydrophobicContact CG1-CG1 3.52Å; V271-Q317 WeakPolarHBondContact CA-O 3.34Å; V271-I318 HydrophobicContact CG2-CG2 4.27Å
272L97.5Very high95.4Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-77.984.6169.4-56.9177.5000109.2F170 K173 K174 L177 I186 E187 E188 Q317F170-L272 HydrophobicContact CD2-CD1 4.47Å; F170-L272 HydrophobicContact CD2-CG 4.34Å; F170-L272 HydrophobicContact CE1-CD2 4.39Å; F170-L272 HydrophobicContact CE2-CD1 4.13Å; F170-L272 HydrophobicContact CE2-CD2 3.97Å; F170-L272 HydrophobicContact CE2-CG 3.56Å; F170-L272 HydrophobicContact CZ-CD1 4.39Å; F170-L272 HydrophobicContact CZ-CD2 3.59Å; F170-L272 HydrophobicContact CZ-CG 3.75Å; K173-L272 HydrophobicContact CB-CD1 4.37Å; K173-L272 HydrophobicContact CG-CD1 4.18Å; K174-L272 HydrophobicContact CB-CD1 3.71Å; K174-L272 HydrophobicContact CB-CD2 4.14Å; K174-L272 HydrophobicContact CD-CD2 3.85Å; K174-L272 HydrophobicContact CG-CD1 4.23Å; K174-L272 HydrophobicContact CG-CD2 3.84Å; L177-L272 HydrophobicContact CD1-CB 4.43Å; L177-L272 HydrophobicContact CD1-CD1 4.21Å; I186-L272 HydrophobicContact CG2-CB 4.16Å; I186-L272 HydrophobicContact CG2-CD2 4.36Å; E187-L272 CarbonylContact O-C 3.57Å; E188-L272 HydrophobicContact CB-CD2 4.28Å; E188-L272 HydrophobicContact CG-CD2 4.17Å; L272-Q317 HydrophobicContact CB-CB 4.12Å; L272-Q317 HydrophobicContact CB-CG 4.3Å; L272-Q317 PolarHBondContact N-O 3.43Å; L272-Q317 PolarHBondContact O-NE2 3.23Å
273V96.8Very high96Very high0 Ų037.5 Ų37.50%018%0.183CC..  trans-74.4-30.4179.7-610000112E187 R189 L191 V271 D298 S299 Y310E187-V273 HydrophobicContact CB-CG2 4Å; E187-V273 HydrophobicContact CG-CG2 3.74Å; E187-V273 WeakPolarHBondContact O-CG2 3.42Å; E187-V273 PolarHBondContact O-N 2.97Å; R189-V273 HydrophobicContact CB-CG1 4.25Å; R189-V273 HydrophobicContact CG-CG1 4.36Å; R189-V273 HydrophobicContact CG-CG2 3.84Å; L191-V273 HydrophobicContact CD1-CG1 3.91Å; V271-V273 VanDerWaalsContact C-N 3.35Å; V271-V273 HydrophobicContact CB-CG1 4.24Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 PolarHBondContact O-N 3.06Å; V271-V273 VanDerWaalsContact O-N 3.07Å; V273-D298 WeakPolarHBondContact O-CB 3.41Å; V273-S299 PolarHBondContact O-OG 3.26Å; V273-Y310 HydrophobicContact CB-CD1 3.87Å; V273-Y310 HydrophobicContact CB-CE1 3.94Å; V273-Y310 HydrophobicContact CG1-CD1 3.53Å; V273-Y310 HydrophobicContact CG1-CE1 3.86Å; V273-Y310 HydrophobicContact CG1-CG 4.01Å; V273-Y310 HydrophobicContact CG2-CE1 4.31Å
274G95.8Very high96.2Very high4 Ų439.4 Ų39.44%0.04120%0.202CC..  trans48.8-141.1179.800000113.1E187 Y276 D298E187-G274 PolarHBondContact O-N 2.93Å; G274-Y276 WeakPolarHBondContact O-CD1 3.28Å; G274-D298 WeakPolarHBondContact CA-OD2 3.44Å
275E95.8Very high96.3Very high90 Ų9041.9 Ų41.942%0.42121%0.209SC..SBendtrans-82.6127.2173-65168.393.300110.1K181 K289 Y297 D298K181-E275 IonicContact NZ-OE2 3.7Å; K181-E275 PolarHBondContact NZ-OE2 3.47Å; E275-K289 IonicContact OE1-NZ 2.78Å; E275-K289 PolarHBondContact OE1-NZ 3.04Å; E275-K289 IonicContact OE2-NZ 3.47Å; E275-K289 PolarHBondContact OE2-NZ 3.22Å; E275-Y297 HydrophobicContact CB-CD1 4.14Å; E275-Y297 CarbonylContact O-C 3.47Å; E275-Y297 WeakPolarHBondContact O-CB 3.5Å; E275-D298 PolarHBondContact N-OD2 3.06Å; E275-D298 PolarHBondContact O-N 3.26Å
276Y97.9Very high96.4Very high41 Ų4142.2 Ų42.216%0.16121%0.211CC..EExtended strand (participates in β ladder)trans-117.9162.3-176.946.3-93.7000113.2G274 Y297 S299 V301 M304 P307 Y310G274-Y276 WeakPolarHBondContact O-CD1 3.28Å; Y276-Y297 VanDerWaalsContact C-CD1 3.5Å; Y276-Y297 WeakPolarHBondContact O-CD1 3.48Å; Y276-Y297 WeakPolarHBondContact O-CE1 3.1Å; Y276-S299 VanDerWaalsContact CA-O 3.32Å; Y276-S299 WeakPolarHBondContact CA-O 3.38Å; Y276-S299 WeakPolarHBondContact CB-OG 3.24Å; Y276-V301 HydrophobicContact CD2-CB 4.36Å; Y276-V301 HydrophobicContact CD2-CG1 3.73Å; Y276-V301 HydrophobicContact CD2-CG2 3.68Å; Y276-V301 HydrophobicContact CE2-CG1 4.45Å; Y276-V301 HydrophobicContact CE2-CG2 4.42Å; Y276-V301 HydrophobicContact CG-CG1 3.8Å; Y276-V301 HydrophobicContact CG-CG2 4.42Å; Y276-M304 HydrophobicContact CD2-SD 3.92Å; Y276-M304 HydrophobicContact CE2-SD 4.35Å; Y276-M304 WeakPolarHBondContact O-CE 3.2Å; Y276-P307 HydrophobicContact CD2-CG 4.37Å; Y276-P307 HydrophobicContact CE2-CG 3.66Å; Y276-Y310 AromaticContact CD1-CE1 3.97Å; Y276-Y310 HydrophobicContact CD1-CE1 3.97Å; Y276-Y310 HydrophobicContact CE1-CE1 4.15Å; Y276-Y310 HydrophobicContact CG-CE1 4.34Å
277T98.1Very high96.4Very high28 Ų2843.4 Ų43.417%0.17222%0.219CC..EExtended strand (participates in β ladder)trans-139.9169.7171-167.30000111.2G279 P287 Y297 S299 C300 V301 M304T277-G279 PolarHBondContact O-N 3.05Å; T277-P287 HydrophobicContact CG2-CG 3.35Å; T277-Y297 HydrophobicContact CG2-CD1 4.4Å; T277-Y297 HydrophobicContact CG2-CD2 3.47Å; T277-Y297 VanDerWaalsContact CG2-CD2 3.47Å; T277-Y297 HydrophobicContact CG2-CE2 3.79Å; T277-Y297 HydrophobicContact CG2-CG 3.8Å; T277-S299 PolarHBondContact N-O 2.94Å; T277-C300 CarbonylContact O-C 3.6Å; T277-C300 WeakPolarHBondContact O-CA 3.43Å; T277-V301 WeakPolarHBondContact O-CG2 3.18Å; T277-V301 PolarHBondContact O-N 3.23Å; T277-M304 VanDerWaalsContact CA-SD 3.5Å
278V98.3Very high96.3Very high66 Ų6645 Ų4540%0.423%0.23SC..EExtended strand (participates in β ladder)trans-62132.5175.9-176.20000110.2V301 M304V278-V301 WeakPolarHBondContact CA-O 3.44Å; V278-M304 HydrophobicContact CG2-CG 3.62Å
279G97.5Very high96.1Very high11 Ų1148 Ų4811%0.11324%0.243CC..  trans-76.6166.4179.500000114.4Y220 T277 V301Y220-G279 VanDerWaalsContact O-CA 3.25Å; Y220-G279 WeakPolarHBondContact O-CA 3.45Å; T277-G279 PolarHBondContact O-N 3.05Å; G279-V301 PolarHBondContact N-O 2.67Å
280H95.9Very high95.7Very high76 Ų7652.3 Ų52.335%0.35227%0.266SS..  trans-144.6142.9176.7-173.1-85000110Y220 G221 M282 Y283Y220-H280 CarbonylContact C-O 3.52Å; Y220-H280 PolarHBondContact O-N 3.45Å; G221-H280 VanDerWaalsContact CA-O 3.26Å; G221-H280 WeakPolarHBondContact CA-O 3.49Å; G221-H280 PolarHBondContact N-O 2.9Å; H280-M282 WeakPolarHBondContact CE1-CE 3.25Å; H280-M282 PolarHBondContact ND1-N 3.45Å; H280-M282 PolarHBondContact O-N 3.23Å; H280-Y283 HydrophobicContact CB-CD1 4.08Å; H280-Y283 HydrophobicContact CB-CD2 3.64Å; H280-Y283 HydrophobicContact CB-CE1 3.92Å; H280-Y283 HydrophobicContact CB-CE2 3.46Å; H280-Y283 VanDerWaalsContact CB-CE2 3.46Å; H280-Y283 HydrophobicContact CB-CG 3.94Å; H280-Y283 WeakPolarHBondContact O-CB 3.4Å; H280-Y283 PolarHBondContact O-N 2.66Å
281P93.9Very high95.3Very high59 Ų5954 Ų5438%0.38329%0.292SS..THydrogen-bonded Turntrans-58.3-29.7-173-27.133.6000115.9D218 V219 Y283D218-P281 WeakPolarHBondContact O-CA 3.49Å; D218-P281 WeakPolarHBondContact O-CB 3.49Å; V219-P281 WeakPolarHBondContact O-CD 3.46Å; V219-P281 VanDerWaalsContact O-CG 3.29Å; V219-P281 WeakPolarHBondContact O-CG 3.42Å; P281-Y283 VanDerWaalsContact C-N 3.31Å; P281-Y283 PolarHBondContact O-N 2.89Å
282M93.3Very high94.8Very high147 Ų14755.6 Ų55.672%0.72430%0.304SS*.THydrogen-bonded Turntrans-80.4-8.3-179.9-61.9-167.6-71.600114H280 C284H280-M282 WeakPolarHBondContact CE1-CE 3.25Å; H280-M282 PolarHBondContact ND1-N 3.45Å; H280-M282 PolarHBondContact O-N 3.23Å; M282-C284 PolarHBondContact O-N 2.97Å
283Y94.8Very high94.1Very high80 Ų8064.3 Ų64.331%0.31434%0.342SS..  trans-71.5124.7-178.8-68.5-16.9000111.1G221 K222 H280 P281 P287 F313G221-Y283 CarbonylContact C-O 3.58Å; G221-Y283 WeakPolarHBondContact CA-O 3.2Å; K222-Y283 PolarHBondContact N-O 3.33Å; H280-Y283 HydrophobicContact CB-CD1 4.08Å; H280-Y283 HydrophobicContact CB-CD2 3.64Å; H280-Y283 HydrophobicContact CB-CE1 3.92Å; H280-Y283 HydrophobicContact CB-CE2 3.46Å; H280-Y283 VanDerWaalsContact CB-CE2 3.46Å; H280-Y283 HydrophobicContact CB-CG 3.94Å; H280-Y283 WeakPolarHBondContact O-CB 3.4Å; H280-Y283 PolarHBondContact O-N 2.66Å; P281-Y283 VanDerWaalsContact C-N 3.31Å; P281-Y283 PolarHBondContact O-N 2.89Å; Y283-P287 HydrophobicContact CD2-CG 4.43Å; Y283-P287 HydrophobicContact CE1-CB 4.33Å; Y283-P287 HydrophobicContact CE2-CB 4.1Å; Y283-P287 HydrophobicContact CE2-CG 3.77Å; Y283-F313 WeakPolarHBondContact O-CE1 3.39Å
284C93.1Very high93.4Very high80 Ų8070 Ų7054%0.54138%0.377SS..SBendtrans-102.9-0.5169.5-57.10000112.3M282 F313M282-C284 PolarHBondContact O-N 2.97Å; C284-F313 VanDerWaalsContact C-CD1 3.46Å
285R94.4Very high93Very high133 Ų13372.5 Ų72.550%0.50239%0.389SS..SBendtrans-160.4163.1174.962.5176.2-176.5152.11.1108.1
286P95.9Very high92.9Very high14 Ų1470.2 Ų70.29%0.09138%0.378CS..PPolyproline II helixtrans-57.9146.1173.7-21.133.2000111.3F296 Y297 F313P286-F296 WeakPolarHBondContact O-CD1 3.18Å; P286-Y297 WeakPolarHBondContact CB-O 3.28Å; P286-Y297 WeakPolarHBondContact CG-O 3.46Å; P286-F313 VanDerWaalsContact CD-CD2 3.41Å; P286-F313 HydrophobicContact CG-CD2 3.62Å; P286-F313 HydrophobicContact CG-CE2 4Å; P286-F313 HydrophobicContact CG-CG 4.47Å
287P96.3Very high92.9Very high25 Ų2571.2 Ų71.216%0.16238%0.382CS..PPolyproline II helixtrans-73162-179.932-36.7000112T277 Y283 Y297T277-P287 HydrophobicContact CG2-CG 3.35Å; Y283-P287 HydrophobicContact CD2-CG 4.43Å; Y283-P287 HydrophobicContact CE1-CB 4.33Å; Y283-P287 HydrophobicContact CE2-CB 4.1Å; Y283-P287 HydrophobicContact CE2-CG 3.77Å; P287-Y297 HydrophobicContact CG-CD2 4.13Å; P287-Y297 WeakPolarHBondContact O-CD2 3.41Å; P287-Y297 PolarHBondContact O-N 2.83Å; P287-Y297 VanDerWaalsContact O-N 3.15Å
288S94.9Very high92.8Very high35 Ų3570.3 Ų70.325%0.24538%0.376CS..BIsolated β-bridgetrans-74.5144.7175179.70000110.6D290 A291 S292 N295S288-D290 PolarHBondContact OG-OD1 2.57Å; S288-A291 WeakPolarHBondContact OG-CA 3.32Å; S288-A291 PolarHBondContact OG-N 3.1Å; S288-A291 VanDerWaalsContact OG-N 3.09Å; S288-S292 WeakPolarHBondContact CB-O 3.48Å; S288-S292 PolarHBondContact OG-N 2.94Å; S288-S292 PolarHBondContact OG-O 3.13Å; S288-N295 WeakPolarHBondContact CA-O 3.4Å; S288-N295 PolarHBondContact OG-O 3.47Å
289K93.8Very high92.8Very high62 Ų6267.2 Ų67.227%0.2736%0.357SS..SBendtrans-80.8-27.1178.8-57.9-169.9-172.7167.70113.4E275 N295 F296 Y297E275-K289 IonicContact OE1-NZ 2.78Å; E275-K289 PolarHBondContact OE1-NZ 3.04Å; E275-K289 IonicContact OE2-NZ 3.47Å; E275-K289 PolarHBondContact OE2-NZ 3.22Å; K289-N295 PolarHBondContact N-O 2.98Å; K289-F296 WeakPolarHBondContact CE-O 3.5Å; K289-Y297 HydrophobicContact CB-CE2 4.31Å; K289-Y297 HydrophobicContact CD-CD1 4.49Å; K289-Y297 HydrophobicContact CD-CE1 4.27Å; K289-Y297 HydrophobicContact CD-CE2 4.48Å; K289-Y297 HydrophobicContact CG-CD1 4.38Å; K289-Y297 HydrophobicContact CG-CD2 3.76Å; K289-Y297 HydrophobicContact CG-CE1 4.23Å; K289-Y297 HydrophobicContact CG-CE2 3.6Å; K289-Y297 HydrophobicContact CG-CG 4.17Å
290D91.3Very high92.9Very high91 Ų9166.7 Ų66.749%0.48735%0.351SS..SBendtrans-13618.8-170.357.910.7000111.9S288 S292 N295S288-D290 PolarHBondContact OG-OD1 2.57Å; D290-S292 PolarHBondContact O-N 2.71Å; D290-S292 VanDerWaalsContact O-N 3.11Å; D290-S292 WeakPolarHBondContact OD1-CB 3.35Å; D290-S292 PolarHBondContact OD1-N 3.1Å; D290-S292 PolarHBondContact OD1-OG 3.14Å; D290-N295 WeakPolarHBondContact OD2-CB 3.49Å; D290-N295 PolarHBondContact OD2-ND2 3.33Å
291A88.9Confident93Very high92 Ų9263 Ų6376%0.7634%0.335SS*.SBendtrans59.710.9-17300000115.1S288S288-A291 WeakPolarHBondContact OG-CA 3.32Å; S288-A291 PolarHBondContact OG-N 3.1Å; S288-A291 VanDerWaalsContact OG-N 3.09Å
292S87.1Confident93.2Very high34 Ų3462 Ų6224%0.23833%0.326CS..  trans-78165.7171.577.50000112.5S288 D290 T294 N295S288-S292 WeakPolarHBondContact CB-O 3.48Å; S288-S292 PolarHBondContact OG-N 2.94Å; S288-S292 PolarHBondContact OG-O 3.13Å; D290-S292 PolarHBondContact O-N 2.71Å; D290-S292 VanDerWaalsContact O-N 3.11Å; D290-S292 WeakPolarHBondContact OD1-CB 3.35Å; D290-S292 PolarHBondContact OD1-N 3.1Å; D290-S292 PolarHBondContact OD1-OG 3.14Å; S292-T294 VanDerWaalsContact C-N 3.32Å; S292-T294 PolarHBondContact OG-N 2.72Å; S292-N295 WeakPolarHBondContact OG-CB 3.38Å; S292-N295 PolarHBondContact OG-N 3.26Å; S292-N295 VanDerWaalsContact OG-N 3.13Å
293F81.8Confident93.4Very high183 Ų18358.5 Ų58.580%0.80331%0.31SS*.SBendtrans-87.57176.1-65.1-76.7000114.3F296F293-F296 WeakPolarHBondContact O-CE2 3.15Å
294T82.1Confident93.5Very high119 Ų11959 Ų5973%0.7332%0.316SS*.SBendtrans-130.3-21.9-173.754.70000113.8S292S292-T294 VanDerWaalsContact C-N 3.32Å; S292-T294 PolarHBondContact OG-N 2.72Å
295N88.9Confident93.7Very high57 Ų5759.7 Ų59.731%0.30533%0.328SS..  trans-106.992-176.8-172.317.4000111.9S288 K289 D290 S292S288-N295 WeakPolarHBondContact CA-O 3.4Å; S288-N295 PolarHBondContact OG-O 3.47Å; K289-N295 PolarHBondContact N-O 2.98Å; D290-N295 WeakPolarHBondContact OD2-CB 3.49Å; D290-N295 PolarHBondContact OD2-ND2 3.33Å; S292-N295 WeakPolarHBondContact OG-CB 3.38Å; S292-N295 PolarHBondContact OG-N 3.26Å; S292-N295 VanDerWaalsContact OG-N 3.13Å
296F93.8Very high93.8Very high41 Ų4157.4 Ų57.418%0.1833%0.326CS..BIsolated β-bridgetrans-109.8156.9179.7-60.6-86.1000112K181 P286 K289 F293K181-F296 PolarHBondContact NZ-O 3.29Å; P286-F296 WeakPolarHBondContact O-CD1 3.18Å; K289-F296 WeakPolarHBondContact CE-O 3.5Å; F293-F296 WeakPolarHBondContact O-CE2 3.15Å
297Y96.9Very high93.9Very high63 Ų6357.1 Ų57.125%0.24732%0.324CS..  trans-62.8163.6156.8-69.6-80.1000110.3E275 Y276 T277 P286 P287 K289E275-Y297 HydrophobicContact CB-CD1 4.14Å; E275-Y297 CarbonylContact O-C 3.47Å; E275-Y297 WeakPolarHBondContact O-CB 3.5Å; Y276-Y297 VanDerWaalsContact C-CD1 3.5Å; Y276-Y297 WeakPolarHBondContact O-CD1 3.48Å; Y276-Y297 WeakPolarHBondContact O-CE1 3.1Å; T277-Y297 HydrophobicContact CG2-CD1 4.4Å; T277-Y297 HydrophobicContact CG2-CD2 3.47Å; T277-Y297 VanDerWaalsContact CG2-CD2 3.47Å; T277-Y297 HydrophobicContact CG2-CE2 3.79Å; T277-Y297 HydrophobicContact CG2-CG 3.8Å; P286-Y297 WeakPolarHBondContact CB-O 3.28Å; P286-Y297 WeakPolarHBondContact CG-O 3.46Å; P287-Y297 HydrophobicContact CG-CD2 4.13Å; P287-Y297 WeakPolarHBondContact O-CD2 3.41Å; P287-Y297 PolarHBondContact O-N 2.83Å; P287-Y297 VanDerWaalsContact O-N 3.15Å; K289-Y297 HydrophobicContact CB-CE2 4.31Å; K289-Y297 HydrophobicContact CD-CD1 4.49Å; K289-Y297 HydrophobicContact CD-CE1 4.27Å; K289-Y297 HydrophobicContact CD-CE2 4.48Å; K289-Y297 HydrophobicContact CG-CD1 4.38Å; K289-Y297 HydrophobicContact CG-CD2 3.76Å; K289-Y297 HydrophobicContact CG-CE1 4.23Å; K289-Y297 HydrophobicContact CG-CE2 3.6Å; K289-Y297 HydrophobicContact CG-CG 4.17Å
298D96.9Very high94Very high9 Ų960.6 Ų60.65%0.04834%0.337CS..SBendtrans-94.7-26.7178.5-60.8-50.1000112.3K181 V273 G274 E275 Q317K181-D298 WeakPolarHBondContact CE-OD1 3.36Å; K181-D298 WeakPolarHBondContact CE-OD2 3.42Å; K181-D298 IonicContact NZ-OD1 2.88Å; K181-D298 PolarHBondContact NZ-OD1 3.06Å; K181-D298 IonicContact NZ-OD2 3.41Å; K181-D298 PolarHBondContact NZ-OD2 2.97Å; V273-D298 WeakPolarHBondContact O-CB 3.41Å; G274-D298 WeakPolarHBondContact CA-OD2 3.44Å; E275-D298 PolarHBondContact N-OD2 3.06Å; E275-D298 PolarHBondContact O-N 3.26Å; D298-Q317 PolarHBondContact O-NE2 3.26Å
299S98.2Very high94.1Very high0 Ų059.4 Ų59.40%033%0.327CS..EExtended strand (participates in β ladder)trans-153.6170.9-179.564.20000112.2V273 Y276 T277 V311V273-S299 PolarHBondContact O-OG 3.26Å; Y276-S299 VanDerWaalsContact CA-O 3.32Å; Y276-S299 WeakPolarHBondContact CA-O 3.38Å; Y276-S299 WeakPolarHBondContact CB-OG 3.24Å; T277-S299 PolarHBondContact N-O 2.94Å; S299-V311 WeakPolarHBondContact CB-O 3.4Å
300C98.4Very high94.3Very high0 Ų056.5 Ų56.50%032%0.315CS..EExtended strand (participates in β ladder)trans-114.7152.8172.6-70.40000110.9T277 Y310 V311 F313T277-C300 CarbonylContact O-C 3.6Å; T277-C300 WeakPolarHBondContact O-CA 3.43Å; C300-Y310 CarbonylContact O-C 3.54Å; C300-Y310 WeakPolarHBondContact O-CA 3.13Å; C300-V311 HydrophobicContact CB-CB 4.23Å; C300-V311 PolarHBondContact N-O 2.81Å; C300-V311 VanDerWaalsContact N-O 3.12Å; C300-V311 PolarHBondContact O-N 3.44Å; C300-F313 HydrophobicContact CB-CE2 4.02Å; C300-F313 HydrophobicContact CB-CZ 4.21Å
301V98.4Very high94.6Very high0 Ų052.1 Ų52.10%029%0.291CS..EExtended strand (participates in β ladder)trans-131.7167.1178.8-66.30000112.5Y276 T277 V278 G279 D303 M304 P307 I309 Y310Y276-V301 HydrophobicContact CD2-CB 4.36Å; Y276-V301 HydrophobicContact CD2-CG1 3.73Å; Y276-V301 HydrophobicContact CD2-CG2 3.68Å; Y276-V301 HydrophobicContact CE2-CG1 4.45Å; Y276-V301 HydrophobicContact CE2-CG2 4.42Å; Y276-V301 HydrophobicContact CG-CG1 3.8Å; Y276-V301 HydrophobicContact CG-CG2 4.42Å; T277-V301 WeakPolarHBondContact O-CG2 3.18Å; T277-V301 PolarHBondContact O-N 3.23Å; V278-V301 WeakPolarHBondContact CA-O 3.44Å; G279-V301 PolarHBondContact N-O 2.67Å; V301-D303 WeakPolarHBondContact CG2-O 3.33Å; V301-M304 HydrophobicContact CG2-SD 4Å; V301-P307 HydrophobicContact CB-CB 4.01Å; V301-P307 HydrophobicContact CB-CG 4.44Å; V301-P307 HydrophobicContact CG1-CB 3.8Å; V301-P307 HydrophobicContact CG1-CG 4.21Å; V301-I309 VanDerWaalsContact CA-O 3.23Å; V301-I309 WeakPolarHBondContact CA-O 3.1Å; V301-I309 WeakPolarHBondContact CB-O 3.29Å; V301-Y310 HydrophobicContact CG1-CD1 3.41Å; V301-Y310 VanDerWaalsContact CG1-CD1 3.41Å; V301-Y310 HydrophobicContact CG1-CE1 3.49Å; V301-Y310 VanDerWaalsContact CG1-CE1 3.49Å; V301-Y310 HydrophobicContact CG1-CG 4.07Å
302D97.9Very high95Very high36 Ų3647.8 Ų47.819%0.19326%0.255CS..SBendtrans-76.7-38.6171.962.2-40000113.3Y220 K308 I309Y220-D302 HydrophobicContact CD2-CB 4.23Å; Y220-D302 HydrophobicContact CE1-CB 3.99Å; Y220-D302 HydrophobicContact CE2-CB 3.64Å; Y220-D302 VanDerWaalsContact CZ-CB 3.49Å; D302-K308 PolarHBondContact OD1-N 2.81Å; D302-I309 HydrophobicContact CB-CB 4.08Å; D302-I309 HydrophobicContact CB-CD1 4.41Å; D302-I309 HydrophobicContact CB-CG1 4.5Å; D302-I309 PolarHBondContact N-O 3.16Å; D302-I309 PolarHBondContact OD1-N 3.38Å
303D97.7Very high95.4Very high74 Ų7447.6 Ų47.640%0.39625%0.25SS..  trans-144.4138.2-178.8-178.7-93.7000110.7V301 A305 N306 P307V301-D303 WeakPolarHBondContact CG2-O 3.33Å; D303-A305 WeakPolarHBondContact OD1-CA 3.42Å; D303-A305 WeakPolarHBondContact OD1-CB 3.04Å; D303-A305 PolarHBondContact OD1-N 3Å; D303-N306 PolarHBondContact OD1-N 2.79Å; D303-P307 VanDerWaalsContact O-CA 3.29Å; D303-P307 WeakPolarHBondContact O-CA 3.43Å; D303-P307 WeakPolarHBondContact O-CB 3.49Å; D303-P307 WeakPolarHBondContact O-CD 3.2Å; D303-P307 WeakPolarHBondContact O-CG 3.45Å
304M97.3Very high96Very high90 Ų9041 Ų4144%0.44322%0.224SC..SBendtrans-77.7-31.2-176.8-76.8-66.2-73.500114Y276 T277 V278 V301Y276-M304 HydrophobicContact CD2-SD 3.92Å; Y276-M304 HydrophobicContact CE2-SD 4.35Å; Y276-M304 WeakPolarHBondContact O-CE 3.2Å; T277-M304 VanDerWaalsContact CA-SD 3.5Å; V278-M304 HydrophobicContact CG2-CG 3.62Å; V301-M304 HydrophobicContact CG2-SD 4Å
305A97.1Very high96.7Very high96 Ų9637.6 Ų37.679%0.79320%0.204SC*.SBendtrans-84.1-34.9-174.800000111.5D303D303-A305 WeakPolarHBondContact OD1-CA 3.42Å; D303-A305 WeakPolarHBondContact OD1-CB 3.04Å; D303-A305 PolarHBondContact OD1-N 3Å
306N96.9Very high97Very high84 Ų8437.3 Ų37.345%0.44920%0.203SC..SBendtrans-145.270.4-178.4-173.422.9000111.3R228 D303 K308R228-N306 PolarHBondContact NH1-OD1 3.4Å; D303-N306 PolarHBondContact OD1-N 2.79Å; N306-K308 PolarHBondContact O-N 3.27Å
307P97.7Very high97.2Very high9 Ų935.9 Ų35.96%0.05820%0.197CC..  trans-57.8129.4-179.5-18.525.9000111.7Y276 V301 D303 Y310Y276-P307 HydrophobicContact CD2-CG 4.37Å; Y276-P307 HydrophobicContact CE2-CG 3.66Å; V301-P307 HydrophobicContact CB-CB 4.01Å; V301-P307 HydrophobicContact CB-CG 4.44Å; V301-P307 HydrophobicContact CG1-CB 3.8Å; V301-P307 HydrophobicContact CG1-CG 4.21Å; D303-P307 VanDerWaalsContact O-CA 3.29Å; D303-P307 WeakPolarHBondContact O-CA 3.43Å; D303-P307 WeakPolarHBondContact O-CB 3.49Å; D303-P307 WeakPolarHBondContact O-CD 3.2Å; D303-P307 WeakPolarHBondContact O-CG 3.45Å; P307-Y310 HydrophobicContact CB-CE1 4.15Å; P307-Y310 HydrophobicContact CB-CE2 3.8Å; P307-Y310 WeakPolarHBondContact CB-OH 3.39Å
308K97.4Very high97.2Very high98 Ų9832.9 Ų32.943%0.42619%0.185SC..  trans-110.2-24.7171.2-62.6176.5-175.9169.70111.6A227 R228 D302 N306A227-K308 CarbonylContact C-O 3.58Å; A227-K308 VanDerWaalsContact CA-O 3.3Å; A227-K308 WeakPolarHBondContact CA-O 3.29Å; R228-K308 PolarHBondContact N-O 3.49Å; D302-K308 PolarHBondContact OD1-N 2.81Å; N306-K308 PolarHBondContact O-N 3.27Å
309I97.8Very high97.3Very high10 Ų1032.4 Ų32.45%0.05118%0.183CC..EExtended strand (participates in β ladder)trans-124.2134.9-179-59.8173.3000108.3Y220 Y225 F226 Y232 V301 D302 V311Y220-I309 HydrophobicContact CD2-CG2 4.33Å; Y220-I309 HydrophobicContact CE2-CD1 4.09Å; Y225-I309 HydrophobicContact CD1-CG2 3.65Å; Y225-I309 HydrophobicContact CE1-CG2 4.21Å; F226-I309 CarbonylContact O-C 3.47Å; F226-I309 WeakPolarHBondContact O-CA 3.18Å; Y232-I309 HydrophobicContact CE1-CD1 3.96Å; Y232-I309 HydrophobicContact CE1-CG1 4.2Å; Y232-I309 HydrophobicContact CE2-CD1 4.33Å; Y232-I309 WeakPolarHBondContact OH-CD1 3.41Å; V301-I309 VanDerWaalsContact CA-O 3.23Å; V301-I309 WeakPolarHBondContact CA-O 3.1Å; V301-I309 WeakPolarHBondContact CB-O 3.29Å; D302-I309 HydrophobicContact CB-CB 4.08Å; D302-I309 HydrophobicContact CB-CD1 4.41Å; D302-I309 HydrophobicContact CB-CG1 4.5Å; D302-I309 PolarHBondContact N-O 3.16Å; D302-I309 PolarHBondContact OD1-N 3.38Å; I309-V311 HydrophobicContact CG2-CG2 4.45Å
310Y98.3Very high97.2Very high0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-120.9135.7171.7-67.8-96.5000109R189 L191 Y225 F226 V273 Y276 C300 V301 P307R189-Y310 PolarHBondContact NE-OH 2.69Å; R189-Y310 PolarHBondContact NH1-OH 2.95Å; R189-Y310 VanDerWaalsContact NH1-OH 3.1Å; L191-Y310 HydrophobicContact CD1-CD2 3.53Å; L191-Y310 HydrophobicContact CD1-CE2 4.24Å; L191-Y310 HydrophobicContact CD1-CG 3.74Å; L191-Y310 HydrophobicContact CD2-CD2 3.93Å; L191-Y310 HydrophobicContact CD2-CE2 4.02Å; L191-Y310 HydrophobicContact CG-CD2 4.42Å; Y225-Y310 WeakPolarHBondContact CA-O 3.37Å; F226-Y310 PolarHBondContact N-O 3.11Å; F226-Y310 PolarHBondContact O-N 3.01Å; V273-Y310 HydrophobicContact CB-CD1 3.87Å; V273-Y310 HydrophobicContact CB-CE1 3.94Å; V273-Y310 HydrophobicContact CG1-CD1 3.53Å; V273-Y310 HydrophobicContact CG1-CE1 3.86Å; V273-Y310 HydrophobicContact CG1-CG 4.01Å; V273-Y310 HydrophobicContact CG2-CE1 4.31Å; Y276-Y310 AromaticContact CD1-CE1 3.97Å; Y276-Y310 HydrophobicContact CD1-CE1 3.97Å; Y276-Y310 HydrophobicContact CE1-CE1 4.15Å; Y276-Y310 HydrophobicContact CG-CE1 4.34Å; C300-Y310 CarbonylContact O-C 3.54Å; C300-Y310 WeakPolarHBondContact O-CA 3.13Å; V301-Y310 HydrophobicContact CG1-CD1 3.41Å; V301-Y310 VanDerWaalsContact CG1-CD1 3.41Å; V301-Y310 HydrophobicContact CG1-CE1 3.49Å; V301-Y310 VanDerWaalsContact CG1-CE1 3.49Å; V301-Y310 HydrophobicContact CG1-CG 4.07Å; P307-Y310 HydrophobicContact CB-CE1 4.15Å; P307-Y310 HydrophobicContact CB-CE2 3.8Å; P307-Y310 WeakPolarHBondContact CB-OH 3.39Å
311V97.5Very high97.1Very high0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-114.4122.8175.9-172.80000109.3S224 Y225 S299 C300 I309 F313S224-V311 WeakPolarHBondContact O-CA 3.44Å; Y225-V311 HydrophobicContact CD1-CG2 3.73Å; Y225-V311 HydrophobicContact CD2-CG1 4.38Å; Y225-V311 HydrophobicContact CD2-CG2 4.36Å; Y225-V311 HydrophobicContact CE1-CG2 3.42Å; Y225-V311 VanDerWaalsContact CE1-CG2 3.42Å; Y225-V311 HydrophobicContact CE2-CG1 4.01Å; Y225-V311 HydrophobicContact CE2-CG2 4.08Å; Y225-V311 HydrophobicContact CG-CG2 4.17Å; S299-V311 WeakPolarHBondContact CB-O 3.4Å; C300-V311 HydrophobicContact CB-CB 4.23Å; C300-V311 PolarHBondContact N-O 2.81Å; C300-V311 VanDerWaalsContact N-O 3.12Å; C300-V311 PolarHBondContact O-N 3.44Å; I309-V311 HydrophobicContact CG2-CG2 4.45Å; V311-F313 HydrophobicContact CB-CE2 4.38Å; V311-F313 HydrophobicContact CB-CZ 4.39Å; V311-F313 HydrophobicContact CG1-CE1 4.2Å; V311-F313 HydrophobicContact CG1-CE2 4.12Å; V311-F313 HydrophobicContact CG1-CZ 3.84Å
312I97.3Very high97Very high0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-115129.9-176.6-51.2-61.7000109.5G223 S224 F226 V271 D314 Q317 I318G223-I312 CarbonylContact C-O 3.55Å; G223-I312 WeakPolarHBondContact CA-O 3.26Å; S224-I312 PolarHBondContact N-O 3.29Å; S224-I312 PolarHBondContact O-N 2.87Å; F226-I312 HydrophobicContact CD2-CG1 3.91Å; F226-I312 HydrophobicContact CE2-CB 4.39Å; F226-I312 HydrophobicContact CE2-CG1 4.12Å; V271-I312 HydrophobicContact CG1-CD1 3.47Å; V271-I312 VanDerWaalsContact CG1-CD1 3.47Å; V271-I312 HydrophobicContact CG1-CG1 3.52Å; I312-D314 WeakPolarHBondContact CG2-O 3.33Å; I312-Q317 HydrophobicContact CG2-CB 3.68Å; I312-Q317 HydrophobicContact CG2-CG 4.49Å; I312-I318 HydrophobicContact CB-CD1 3.98Å; I312-I318 HydrophobicContact CB-CG1 4.21Å; I312-I318 HydrophobicContact CG1-CG1 4.42Å; I312-I318 HydrophobicContact CG2-CD1 3.81Å; I312-I318 HydrophobicContact CG2-CG1 3.76Å
313F95.3Very high97Very high30 Ų3031.8 Ų31.813%0.13218%0.178CC..SBendtrans-102.8-15.3-171.2-58.6-94000113.4K222 Y283 C284 P286 C300 V311K222-F313 WeakPolarHBondContact O-CD1 3.4Å; Y283-F313 WeakPolarHBondContact O-CE1 3.39Å; C284-F313 VanDerWaalsContact C-CD1 3.46Å; P286-F313 VanDerWaalsContact CD-CD2 3.41Å; P286-F313 HydrophobicContact CG-CD2 3.62Å; P286-F313 HydrophobicContact CG-CE2 4Å; P286-F313 HydrophobicContact CG-CG 4.47Å; C300-F313 HydrophobicContact CB-CE2 4.02Å; C300-F313 HydrophobicContact CB-CZ 4.21Å; V311-F313 HydrophobicContact CB-CE2 4.38Å; V311-F313 HydrophobicContact CB-CZ 4.39Å; V311-F313 HydrophobicContact CG1-CE1 4.2Å; V311-F313 HydrophobicContact CG1-CE2 4.12Å; V311-F313 HydrophobicContact CG1-CZ 3.84Å
314D95.6Very high97Very high46 Ų4628.2 Ų28.225%0.24616%0.159CC..  trans-119.2120.4177.4-176-20.7000109.1K173 I312 N316 Q317K173-D314 VanDerWaalsContact CE-OD2 3.24Å; K173-D314 WeakPolarHBondContact CE-OD2 3.35Å; K173-D314 IonicContact NZ-OD2 3.72Å; K173-D314 PolarHBondContact NZ-OD2 3.04Å; I312-D314 WeakPolarHBondContact CG2-O 3.33Å; D314-N316 PolarHBondContact O-N 3.11Å; D314-N316 WeakPolarHBondContact OD1-CB 3.29Å; D314-N316 PolarHBondContact OD1-N 3.05Å; D314-Q317 HydrophobicContact CB-CG 4.38Å; D314-Q317 WeakPolarHBondContact O-CB 3.46Å; D314-Q317 PolarHBondContact O-N 3.34Å
315S95.1Very high97Very high46 Ų4624.7 Ų24.732%0.32214%0.141SC..G310 helixtrans-61.5-28-178.153.50000112.8N207 F208 Q317 I318N207-S315 PolarHBondContact ND2-O 3.09Å; F208-S315 WeakPolarHBondContact O-CB 3.49Å; S315-Q317 PolarHBondContact O-N 2.81Å; S315-I318 WeakPolarHBondContact O-CB 3.48Å; S315-I318 PolarHBondContact O-N 3.26Å
316N95.4Very high96.9Very high52 Ų5220.2 Ų20.228%0.27810%0.104SC..G310 helixtrans-71.5-8.8178.5-62.2-30.4000112.7F169 F170 K173 D314 I318F169-N316 HydrophobicContact CB-CB 4.4Å; F169-N316 WeakPolarHBondContact CB-OD1 3.44Å; F170-N316 WeakPolarHBondContact CA-O 3.29Å; K173-N316 HydrophobicContact CB-CB 3.98Å; K173-N316 WeakPolarHBondContact CB-O 3.48Å; K173-N316 HydrophobicContact CD-CB 4.3Å; K173-N316 HydrophobicContact CG-CB 4.15Å; K173-N316 WeakPolarHBondContact CG-O 3.35Å; D314-N316 PolarHBondContact O-N 3.11Å; D314-N316 WeakPolarHBondContact OD1-CB 3.29Å; D314-N316 PolarHBondContact OD1-N 3.05Å; N316-I318 PolarHBondContact O-N 2.84Å
317Q97.8Very high96.6Very high10 Ų1022.7 Ų22.75%0.04711%0.108CC..G310 helixtrans-78.8-1.8168.6-72.8175.8-111.500112.7F170 K173 L177 V271 L272 D298 I312 D314 S315F170-Q317 WeakPolarHBondContact CE2-O 3.43Å; K173-Q317 HydrophobicContact CD-CG 4.43Å; K173-Q317 HydrophobicContact CG-CG 3.88Å; L177-Q317 HydrophobicContact CD1-CG 4.28Å; V271-Q317 WeakPolarHBondContact CA-O 3.34Å; L272-Q317 HydrophobicContact CB-CB 4.12Å; L272-Q317 HydrophobicContact CB-CG 4.3Å; L272-Q317 PolarHBondContact N-O 3.43Å; L272-Q317 PolarHBondContact O-NE2 3.23Å; D298-Q317 PolarHBondContact O-NE2 3.26Å; I312-Q317 HydrophobicContact CG2-CB 3.68Å; I312-Q317 HydrophobicContact CG2-CG 4.49Å; D314-Q317 HydrophobicContact CB-CG 4.38Å; D314-Q317 WeakPolarHBondContact O-CB 3.46Å; D314-Q317 PolarHBondContact O-N 3.34Å; S315-Q317 PolarHBondContact O-N 2.81Å
318I98.2Very high96.5Very high0 Ų023.4 Ų23.40%011%0.11CC..EExtended strand (participates in β ladder)trans-127.2137.8-170.7-49157.4000109.8N207 F208 F226 A269 R270 V271 I312 S315 N316N207-I318 PolarHBondContact ND2-O 3.31Å; F208-I318 HydrophobicContact CB-CD1 4.22Å; F208-I318 HydrophobicContact CD2-CB 4.07Å; F208-I318 HydrophobicContact CD2-CD1 4.18Å; F208-I318 HydrophobicContact CD2-CG2 3.33Å; F208-I318 HydrophobicContact CE2-CB 4.5Å; F208-I318 HydrophobicContact CE2-CG2 3.35Å; F208-I318 HydrophobicContact CG-CG2 4.48Å; F226-I318 HydrophobicContact CE1-CG2 4.07Å; F226-I318 HydrophobicContact CE2-CD1 3.52Å; F226-I318 HydrophobicContact CE2-CG1 4.01Å; F226-I318 HydrophobicContact CE2-CG2 4.4Å; F226-I318 HydrophobicContact CZ-CB 4.49Å; F226-I318 HydrophobicContact CZ-CD1 3.68Å; F226-I318 HydrophobicContact CZ-CG1 4.08Å; F226-I318 HydrophobicContact CZ-CG2 3.65Å; A269-I318 HydrophobicContact CB-CG2 3.94Å; R270-I318 WeakPolarHBondContact O-CA 3.43Å; V271-I318 HydrophobicContact CG2-CG2 4.27Å; I312-I318 HydrophobicContact CB-CD1 3.98Å; I312-I318 HydrophobicContact CB-CG1 4.21Å; I312-I318 HydrophobicContact CG1-CG1 4.42Å; I312-I318 HydrophobicContact CG2-CD1 3.81Å; I312-I318 HydrophobicContact CG2-CG1 3.76Å; S315-I318 WeakPolarHBondContact O-CB 3.48Å; S315-I318 PolarHBondContact O-N 3.26Å; N316-I318 PolarHBondContact O-N 2.84Å
319Y97.4Very high96.5Very high0 Ų019.4 Ų19.40%09%0.094CC..EExtended strand (participates in β ladder)trans-124.4119.5166-175.4-106.6000110.1W119 I161 N163 L166 W167 A269 R270 E321W119-Y319 AromaticContact CH2-CZ 3.94Å; W119-Y319 WeakPolarHBondContact CH2-OH 3.36Å; W119-Y319 AromaticContact CZ2-CE1 3.98Å; W119-Y319 HydrophobicContact CZ2-CE1 3.98Å; W119-Y319 AromaticContact CZ2-CZ 3.59Å; W119-Y319 WeakPolarHBondContact CZ2-OH 3.36Å; I161-Y319 PolarHBondContact O-OH 2.87Å; I161-Y319 VanDerWaalsContact O-OH 3.04Å; N163-Y319 PolarHBondContact N-OH 3.46Å; N163-Y319 WeakPolarHBondContact O-CE2 3.39Å; N163-Y319 PolarHBondContact O-OH 2.67Å; L166-Y319 HydrophobicContact CB-CD2 4.08Å; L166-Y319 HydrophobicContact CB-CE2 3.97Å; W167-Y319 HydrophobicContact CB-CD2 4.25Å; W167-Y319 HydrophobicContact CB-CE2 3.78Å; W167-Y319 AromaticContact CE3-CD1 3.6Å; W167-Y319 HydrophobicContact CE3-CD1 3.6Å; W167-Y319 AromaticContact CE3-CD2 3.93Å; W167-Y319 HydrophobicContact CE3-CD2 3.93Å; W167-Y319 AromaticContact CE3-CE1 3.79Å; W167-Y319 HydrophobicContact CE3-CE1 3.79Å; W167-Y319 HydrophobicContact CE3-CE2 4.1Å; W167-Y319 AromaticContact CE3-CG 3.69Å; W167-Y319 HydrophobicContact CE3-CG 3.69Å; W167-Y319 AromaticContact CZ3-CD1 3.83Å; W167-Y319 HydrophobicContact CZ3-CD1 3.83Å; W167-Y319 HydrophobicContact CZ3-CE1 4.28Å; W167-Y319 HydrophobicContact CZ3-CG 4.12Å; A269-Y319 CarbonylContact C-O 3.52Å; A269-Y319 VanDerWaalsContact CA-O 3.3Å; A269-Y319 WeakPolarHBondContact CA-O 3.41Å; A269-Y319 WeakPolarHBondContact CB-O 3.33Å; R270-Y319 PolarHBondContact N-O 3.48Å; R270-Y319 PolarHBondContact O-N 3.15Å; Y319-E321 HydrophobicContact CD1-CB 3.8Å; Y319-E321 HydrophobicContact CD1-CG 4.13Å; Y319-E321 HydrophobicContact CE1-CB 4.05Å; Y319-E321 HydrophobicContact CE1-CG 4.07Å; Y319-E321 PolarHBondContact O-N 2.9Å
320P97.4Very high96.4Very high0 Ų019.9 Ų19.90%010%0.096CC..EExtended strand (participates in β ladder)trans-73.59417529.7-31.5000108.9I161 L166 I203 F208 F267I161-P320 VanDerWaalsContact CB-O 3.26Å; I161-P320 WeakPolarHBondContact CB-O 3.36Å; I161-P320 HydrophobicContact CD1-CB 4.06Å; I161-P320 WeakPolarHBondContact CD1-O 3.41Å; L166-P320 HydrophobicContact CD1-CG 4.25Å; I203-P320 HydrophobicContact CG2-CB 4.13Å; I203-P320 HydrophobicContact CG2-CG 4.47Å; F208-P320 HydrophobicContact CE2-CB 3.7Å; F208-P320 HydrophobicContact CE2-CG 4.32Å; F208-P320 HydrophobicContact CZ-CB 3.9Å; F267-P320 HydrophobicContact CD1-CB 3.84Å; F267-P320 HydrophobicContact CE1-CB 4.04Å
321E95.9Very high96.3Very high0 Ų021.1 Ų21.10%010%0.102CC..EExtended strand (participates in β ladder)trans-87.7-39.3-169.1-165.6166.9-174.100113.7H118 I161 M190 L268 R270 Y319H118-E321 IonicContact CE1-OE1 3.08Å; H118-E321 IonicContact NE2-OE1 2.78Å; I161-E321 PolarHBondContact N-O 3.16Å; M190-E321 HydrophobicContact CE-CB 4.22Å; M190-E321 WeakPolarHBondContact CE-OE2 3.35Å; L268-E321 PolarHBondContact O-N 2.84Å; R270-E321 IonicContact CZ-OE1 3.53Å; R270-E321 IonicContact CZ-OE2 2.66Å; R270-E321 IonicContact NE-OE1 2.81Å; R270-E321 IonicContact NE-OE2 2.97Å; R270-E321 PolarHBondContact NE-OE2 3.29Å; R270-E321 IonicContact NH2-OE1 3.19Å; R270-E321 PolarHBondContact NH2-OE1 3.01Å; R270-E321 IonicContact NH2-OE2 2.98Å; R270-E321 PolarHBondContact NH2-OE2 3.5Å; Y319-E321 HydrophobicContact CD1-CB 3.8Å; Y319-E321 HydrophobicContact CD1-CG 4.13Å; Y319-E321 HydrophobicContact CE1-CB 4.05Å; Y319-E321 HydrophobicContact CE1-CG 4.07Å; Y319-E321 PolarHBondContact O-N 2.9Å
322Y97.3Very high96.2Very high17 Ų1722.4 Ų22.47%0.06711%0.108CC..EExtended strand (participates in β ladder)trans-131.5143.8179.5-56.5-76000112.1L133 E139 V143 I158 Q159 R160 M190 F267 L268L133-Y322 HydrophobicContact CD1-CD1 4.14Å; L133-Y322 HydrophobicContact CD1-CE1 3.9Å; E139-Y322 HydrophobicContact CG-CE1 4.05Å; E139-Y322 WeakPolarHBondContact CG-OH 3.3Å; E139-Y322 WeakPolarHBondContact OE1-CE1 3.04Å; E139-Y322 PolarHBondContact OE1-OH 2.94Å; V143-Y322 HydrophobicContact CG2-CD1 4.14Å; V143-Y322 HydrophobicContact CG2-CD2 3.69Å; V143-Y322 HydrophobicContact CG2-CE1 4.15Å; V143-Y322 HydrophobicContact CG2-CE2 3.65Å; V143-Y322 HydrophobicContact CG2-CG 3.93Å; I158-Y322 HydrophobicContact CG2-CD1 4.12Å; I158-Y322 HydrophobicContact CG2-CG 4.47Å; Q159-Y322 CarbonylContact O-C 3.53Å; Q159-Y322 WeakPolarHBondContact O-CA 3.21Å; R160-Y322 HydrophobicContact CB-CD1 4.07Å; R160-Y322 HydrophobicContact CB-CE1 3.94Å; R160-Y322 HydrophobicContact CG-CD1 4.47Å; R160-Y322 HydrophobicContact CG-CE1 4.1Å; M190-Y322 HydrophobicContact CE-CD2 4.06Å; M190-Y322 HydrophobicContact CE-CE2 4.11Å; F267-Y322 CarbonylContact C-O 3.56Å; F267-Y322 VanDerWaalsContact CA-O 3.29Å; F267-Y322 WeakPolarHBondContact CA-O 2.86Å; L268-Y322 HydrophobicContact CD2-CD2 4.18Å; L268-Y322 PolarHBondContact N-O 3.49Å; L268-Y322 PolarHBondContact O-N 3.26Å
323L97.8Very high96.2Very high5 Ų523.9 Ų23.93%0.02612%0.115CC..EExtended strand (participates in β ladder)trans-107.3117.5167.2-16671.3000108.7Q159 I161 I200 T265 F267Q159-L323 HydrophobicContact CB-CB 4.37Å; Q159-L323 PolarHBondContact N-O 3.35Å; Q159-L323 PolarHBondContact O-N 3.16Å; I161-L323 HydrophobicContact CD1-CB 4.24Å; I161-L323 HydrophobicContact CG1-CB 4.48Å; I200-L323 HydrophobicContact CG1-CD1 4.41Å; I200-L323 HydrophobicContact CG2-CD1 3.92Å; I200-L323 HydrophobicContact CG2-CD2 3.77Å; T265-L323 HydrophobicContact CG2-CD1 3.29Å; T265-L323 HydrophobicContact CG2-CD2 3.94Å; T265-L323 HydrophobicContact CG2-CG 3.38Å; F267-L323 HydrophobicContact CD1-CD1 3.93Å; F267-L323 HydrophobicContact CD2-CD1 4.23Å; F267-L323 HydrophobicContact CE1-CD1 3.65Å; F267-L323 HydrophobicContact CE2-CD1 3.94Å; F267-L323 HydrophobicContact CG-CD1 4.22Å; F267-L323 HydrophobicContact CZ-CD1 3.65Å
324I97.9Very high96.2Very high0 Ų023.5 Ų23.50%011%0.114CC..EExtended strand (participates in β ladder)trans-104.5120.5-179.4-57.3169.8000108.5V143 Y147 I155 F192 T265 M266 L268 F326V143-I324 HydrophobicContact CG1-CD1 3.66Å; V143-I324 HydrophobicContact CG1-CG1 3.97Å; Y147-I324 HydrophobicContact CD2-CD1 4.29Å; Y147-I324 HydrophobicContact CD2-CG2 4.04Å; Y147-I324 HydrophobicContact CE2-CG2 4.11Å; I155-I324 HydrophobicContact CG1-CG2 4.45Å; I155-I324 HydrophobicContact CG2-CG2 4.45Å; F192-I324 HydrophobicContact CD1-CD1 4.35Å; F192-I324 HydrophobicContact CE1-CD1 3.76Å; T265-I324 VanDerWaalsContact CA-O 3.3Å; T265-I324 WeakPolarHBondContact CA-O 3.35Å; T265-I324 WeakPolarHBondContact CG2-O 3.35Å; M266-I324 HydrophobicContact CG-CB 4.1Å; M266-I324 PolarHBondContact N-O 2.88Å; M266-I324 PolarHBondContact O-N 3.37Å; L268-I324 HydrophobicContact CB-CD1 3.97Å; I324-F326 HydrophobicContact CG2-CD1 4.5Å
325E95.8Very high96.3Very high16 Ų1621.8 Ų21.88%0.07510%0.104CC..EExtended strand (participates in β ladder)trans-99.9132.5173-58.3-175.315300109.8K156 A157 Q159 Y263 K264 T265K156-E325 WeakPolarHBondContact CA-O 3.44Å; K156-E325 HydrophobicContact CB-CB 4.03Å; K156-E325 WeakPolarHBondContact CB-O 3.38Å; K156-E325 HydrophobicContact CD-CB 4.26Å; K156-E325 HydrophobicContact CG-CB 4.43Å; K156-E325 PolarHBondContact N-O 2.98Å; K156-E325 IonicContact NZ-OE2 2.63Å; K156-E325 PolarHBondContact NZ-OE2 2.72Å; A157-E325 HydrophobicContact CB-CB 4.43Å; A157-E325 PolarHBondContact N-O 3.05Å; A157-E325 PolarHBondContact O-N 3.3Å; Q159-E325 PolarHBondContact NE2-OE1 2.88Å; Q159-E325 VanDerWaalsContact NE2-OE1 3.12Å; Y263-E325 HydrophobicContact CD2-CB 3.83Å; Y263-E325 HydrophobicContact CD2-CG 4.08Å; Y263-E325 HydrophobicContact CE2-CB 3.85Å; Y263-E325 HydrophobicContact CE2-CG 3.6Å; Y263-E325 VanDerWaalsContact CE2-OE1 3.24Å; Y263-E325 WeakPolarHBondContact CE2-OE1 3.41Å; Y263-E325 PolarHBondContact OH-OE1 2.94Å; Y263-E325 PolarHBondContact OH-OE2 3.44Å; K264-E325 WeakPolarHBondContact O-CA 3.38Å; T265-E325 HydrophobicContact CG2-CG 4.38Å
326F95.6Very high96.4Very high2 Ų219.8 Ų19.81%0.0099%0.086CC..EExtended strand (participates in β ladder)trans-151.6156.1-176.365.4-82000111.8Y147 M151 H153 P154 C237 Y263 K264 M266 I324Y147-F326 HydrophobicContact CE2-CB 4.45Å; Y147-F326 HydrophobicContact CE2-CD1 4.17Å; Y147-F326 HydrophobicContact CE2-CG 4.18Å; Y147-F326 VanDerWaalsContact OH-CB 3.24Å; Y147-F326 WeakPolarHBondContact OH-CB 3.46Å; Y147-F326 WeakPolarHBondContact OH-CD2 3.2Å; Y147-F326 WeakPolarHBondContact OH-CG 3.5Å; M151-F326 HydrophobicContact CE-CD2 3.89Å; M151-F326 HydrophobicContact CE-CE2 3.6Å; M151-F326 HydrophobicContact CE-CZ 4.26Å; H153-F326 HydrophobicContact CB-CD2 4.05Å; P154-F326 WeakPolarHBondContact O-CA 3.27Å; P154-F326 WeakPolarHBondContact O-CB 3.43Å; C237-F326 HydrophobicContact CB-CZ 4.17Å; Y263-F326 WeakPolarHBondContact CB-O 3.19Å; K264-F326 HydrophobicContact CB-CD1 4.29Å; K264-F326 HydrophobicContact CB-CD2 4.19Å; K264-F326 HydrophobicContact CB-CE1 3.74Å; K264-F326 HydrophobicContact CB-CE2 3.66Å; K264-F326 HydrophobicContact CB-CG 4.49Å; K264-F326 HydrophobicContact CB-CZ 3.4Å; K264-F326 HydrophobicContact CD-CE2 3.91Å; K264-F326 HydrophobicContact CD-CZ 4.07Å; K264-F326 HydrophobicContact CG-CE2 4.42Å; K264-F326 HydrophobicContact CG-CZ 4.39Å; K264-F326 PolarHBondContact N-O 3.43Å; K264-F326 PolarHBondContact O-N 3.44Å; M266-F326 HydrophobicContact CB-CE1 4.32Å; M266-F326 HydrophobicContact CE-CD1 4.19Å; M266-F326 HydrophobicContact CE-CE1 3.31Å; M266-F326 HydrophobicContact CE-CE2 4.28Å; M266-F326 HydrophobicContact CE-CZ 3.36Å; M266-F326 HydrophobicContact CG-CD1 4.44Å; M266-F326 HydrophobicContact CG-CE1 3.91Å; M266-F326 HydrophobicContact SD-CE1 4.33Å; I324-F326 HydrophobicContact CG2-CD1 4.5Å
327Y90.1Very high96.5Very high135 Ų13516.8 Ų16.853%0.5297%0.068SC..  trans-92.60-176.5-68.9-73.1000113.4H153 P154 K156H153-Y327 VanDerWaalsContact CB-O 3.27Å; H153-Y327 WeakPolarHBondContact CB-O 3.13Å; H153-Y327 VanDerWaalsContact CG-O 3.26Å; H153-Y327 PolarHBondContact ND1-O 3.25Å; P154-Y327 HydrophobicContact CG-CD2 4.45Å; P154-Y327 PolarHBondContact O-N 2.81Å; K156-Y327 HydrophobicContact CB-CD2 4.23Å; K156-Y327 HydrophobicContact CB-CE2 3.71Å; K156-Y327 HydrophobicContact CD-CE2 4.22Å; K156-Y327 HydrophobicContact CG-CE2 3.97Å

Retrieved 327 of 327 residues in 681.7 ms (Link to these results)

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