A0A5K4EHC2_SCHMA Loading...

NAD-dependent protein deacetylase

AlphaFold DB , UniProt , Accession A0A5K4EHC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 321 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
1M41.9Very low57.9Low244 Ų244121.3 Ų121.3100%1.20264%0.643SS**  0102.30-76.7-172-95.500107.7
2S48.6Very low57.5Low123 Ų123121.5 Ų121.586%0.8664%0.643SS**  trans-77.312617554.50000109.2D4S2-D4 PolarHBondContact O-N 2.65Å
3F50.3Low57.5Low173 Ų173122.8 Ų122.876%0.75964%0.641SS**  trans-68115.8177.1-125.6-99000109.3F5 I8F3-F5 HydrophobicContact CD1-CD2 4.42Å; F3-F5 PolarHBondContact O-N 3.13Å; F3-I8 HydrophobicContact CD1-CD1 4.3Å; F3-I8 HydrophobicContact CE1-CD1 4.18Å
4D73.7Confident57Low104 Ų104117.1 Ų117.156%0.55663%0.626SS**  trans-78.175.9175.1-178.614.4000110.6S2 L6 G7 I8S2-D4 PolarHBondContact O-N 2.65Å; D4-L6 PolarHBondContact O-N 3.3Å; D4-L6 PolarHBondContact OD1-N 3.05Å; D4-G7 PolarHBondContact OD1-N 2.84Å; D4-G7 WeakPolarHBondContact OD2-CA 3.27Å; D4-I8 WeakPolarHBondContact O-CG1 3.19Å; D4-I8 PolarHBondContact O-N 3.3Å
5F63.4Low56.8Low157 Ų157114.5 Ų114.569%0.68961%0.612SS**Hα-helixtrans-62.4-29.7179.1-139.2-92.1000111.9F3 K9F3-F5 HydrophobicContact CD1-CD2 4.42Å; F3-F5 PolarHBondContact O-N 3.13Å; F5-K9 WeakPolarHBondContact O-CB 3.23Å; F5-K9 PolarHBondContact O-N 3.06Å
6L57.1Low56.5Low124 Ų124116.3 Ų116.365%0.64962%0.622SS**Hα-helixtrans-77.6-42-176.7-155.375.7000111.3D4 K9 K10D4-L6 PolarHBondContact O-N 3.3Å; D4-L6 PolarHBondContact OD1-N 3.05Å; L6-K9 PolarHBondContact O-N 3.46Å; L6-K10 PolarHBondContact O-N 3.37Å
7G62.5Low56.3Low28 Ų28114.8 Ų114.829%0.28962%0.618SS.*Hα-helixtrans-62.6-41.4173.300000112.6D4 K10 A11D4-G7 PolarHBondContact OD1-N 2.84Å; D4-G7 WeakPolarHBondContact OD2-CA 3.27Å; G7-K10 PolarHBondContact O-N 3.29Å; G7-A11 WeakPolarHBondContact O-CB 3.46Å; G7-A11 PolarHBondContact O-N 2.92Å
8I64.8Low56.6Low82 Ų82114.9 Ų114.942%0.42163%0.626SS.*Hα-helixtrans-64.2-42.9174.3-67169.8000110.9F3 D4 A11 L12F3-I8 HydrophobicContact CD1-CD1 4.3Å; F3-I8 HydrophobicContact CE1-CD1 4.18Å; D4-I8 WeakPolarHBondContact O-CG1 3.19Å; D4-I8 PolarHBondContact O-N 3.3Å; I8-A11 PolarHBondContact O-N 3.01Å; I8-L12 HydrophobicContact CG2-CD1 3.56Å; I8-L12 HydrophobicContact CG2-CG 4.24Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 2.72Å
9K58.2Low57.2Low128 Ų128116.8 Ų116.856%0.55762%0.623SS**Hα-helixtrans-64.9-40.3179-159179-176.6-176.80112F5 L6 F13F5-K9 WeakPolarHBondContact O-CB 3.23Å; F5-K9 PolarHBondContact O-N 3.06Å; L6-K9 PolarHBondContact O-N 3.46Å; K9-F13 HydrophobicContact CG-CD2 3.75Å; K9-F13 HydrophobicContact CG-CE2 4.22Å; K9-F13 WeakPolarHBondContact O-CD2 3.46Å; K9-F13 PolarHBondContact O-N 3.48Å
10K58Low58.2Low82 Ų82111.8 Ų111.836%0.35760%0.597SS.*Hα-helixtrans-64.8-40.8174.1-75.6-166.9-178.6-147.20112.6L6 G7 G14 D15L6-K10 PolarHBondContact O-N 3.37Å; G7-K10 PolarHBondContact O-N 3.29Å; K10-G14 WeakPolarHBondContact O-CA 3.37Å; K10-G14 PolarHBondContact O-N 2.67Å; K10-D15 WeakPolarHBondContact CE-OD1 3.27Å; K10-D15 WeakPolarHBondContact CE-OD2 3.43Å; K10-D15 VanDerWaalsContact NZ-CG 3.32Å; K10-D15 IonicContact NZ-OD1 2.65Å; K10-D15 PolarHBondContact NZ-OD1 3Å; K10-D15 VanDerWaalsContact NZ-OD1 3.15Å; K10-D15 IonicContact NZ-OD2 2.64Å; K10-D15 PolarHBondContact NZ-OD2 3.35Å
11A58.7Low59.4Low89 Ų89113.9 Ų113.974%0.73660%0.603SS**Hα-helixtrans-68.4-36.5178.700000112.8G7 I8G7-A11 WeakPolarHBondContact O-CB 3.46Å; G7-A11 PolarHBondContact O-N 2.92Å; I8-A11 PolarHBondContact O-N 3.01Å
12L53.1Low61.8Low124 Ų124103.4 Ų103.465%0.64955%0.552SS**Hα-helixtrans-83.7-34.4-176.6-72173.9000114.3I8I8-L12 HydrophobicContact CG2-CD1 3.56Å; I8-L12 HydrophobicContact CG2-CG 4.24Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 2.72Å
13F58Low63.8Low139 Ų139104.4 Ų104.461%0.6154%0.541SS*.Hα-helixtrans-116.3-0.8-169.5-59.3-70.6000114.5K9K9-F13 HydrophobicContact CG-CD2 3.75Å; K9-F13 HydrophobicContact CG-CE2 4.22Å; K9-F13 WeakPolarHBondContact O-CD2 3.46Å; K9-F13 PolarHBondContact O-N 3.48Å
14G50.3Low65.9Low42 Ų4298.2 Ų98.243%0.43352%0.519SS..  trans68.2162.3-164.400000111.5K10 N16K10-G14 WeakPolarHBondContact O-CA 3.37Å; K10-G14 PolarHBondContact O-N 2.67Å; G14-N16 PolarHBondContact O-N 2.93Å
15D54.1Low67Low78 Ų7897 Ų9742%0.41751%0.512SS..  trans-77.477.2177-142.63.9000109.2K10 T17K10-D15 WeakPolarHBondContact CE-OD1 3.27Å; K10-D15 WeakPolarHBondContact CE-OD2 3.43Å; K10-D15 VanDerWaalsContact NZ-CG 3.32Å; K10-D15 IonicContact NZ-OD1 2.65Å; K10-D15 PolarHBondContact NZ-OD1 3Å; K10-D15 VanDerWaalsContact NZ-OD1 3.15Å; K10-D15 IonicContact NZ-OD2 2.64Å; K10-D15 PolarHBondContact NZ-OD2 3.35Å; D15-T17 PolarHBondContact O-N 3.13Å; D15-T17 PolarHBondContact OD1-OG1 3.33Å
16N51.2Low68.6Low144 Ų14492.5 Ų92.577%0.7750%0.495SS*.  trans-78.618.1174-84.5-21.8000112.5G14 P18G14-N16 PolarHBondContact O-N 2.93Å; N16-P18 WeakPolarHBondContact O-CD 3.17Å
17T53.9Low70.5Confident90 Ų9086.9 Ų86.955%0.55247%0.466SS*.PPolyproline II helixtrans-62.3124.9169.444.60000108.6D15 R19D15-T17 PolarHBondContact O-N 3.13Å; D15-T17 PolarHBondContact OD1-OG1 3.33Å; T17-R19 PolarHBondContact O-N 3.49Å
18P60.4Low72.2Confident117 Ų11789.1 Ų89.176%0.7647%0.469SS*.PPolyproline II helixtrans-49.7131.6173.4-23.932.4000109.4N16N16-P18 WeakPolarHBondContact O-CD 3.17Å
19R69.4Low73.8Confident151 Ų15185.3 Ų85.357%0.5745%0.449SS*.PPolyproline II helixtrans-64.4148.3176.9-70.5-171175.6-176.3-4.7109.5T17 E21 D240T17-R19 PolarHBondContact O-N 3.49Å; R19-E21 PolarHBondContact O-N 2.94Å; R19-D240 HydrophobicContact CB-CB 4.41Å; R19-D240 VanDerWaalsContact CD-OD2 3.28Å; R19-D240 WeakPolarHBondContact CD-OD2 3.29Å; R19-D240 IonicContact CZ-OD2 3.57Å; R19-D240 IonicContact NE-OD2 2.87Å; R19-D240 IonicContact NH1-OD2 3.47Å; R19-D240 PolarHBondContact NH1-OD2 3.47Å
20P77.2Confident75.7Confident17 Ų1779.2 Ų79.211%0.1142%0.423CS..PPolyproline II helixtrans-55.3124.2-179.3-24.633.5000111.9L33 Q38 V39 D216 P242P20-L33 HydrophobicContact CB-CD1 3.87Å; P20-L33 HydrophobicContact CB-CD2 3.84Å; P20-L33 HydrophobicContact CB-CG 4.42Å; P20-Q38 HydrophobicContact CB-CB 4.28Å; P20-Q38 HydrophobicContact CG-CB 4.41Å; P20-V39 HydrophobicContact CB-CG2 4.42Å; P20-V39 HydrophobicContact CG-CG2 4.25Å; P20-D216 HydrophobicContact CG-CB 4.41Å; P20-P242 HydrophobicContact CB-CG 4.34Å
21E83.3Confident77.6Confident155 Ų15575.4 Ų75.472%0.72441%0.407SS*.  trans-108.9116.2176.6-171.5176.6-171.600110.9R19 K23 L33R19-E21 PolarHBondContact O-N 2.94Å; E21-K23 PolarHBondContact O-N 3.42Å; E21-L33 VanDerWaalsContact O-CD2 3.29Å; E21-L33 WeakPolarHBondContact O-CD2 3.49Å
22L91.8Very high79.4Confident25 Ų2574.4 Ų74.413%0.13139%0.387CS..  trans-68.1117.8177.6-73.1165.8000110.7S24 L25 V30 L33 P242 I271L22-S24 PolarHBondContact O-N 3.27Å; L22-L25 HydrophobicContact CB-CD2 4.4Å; L22-L25 HydrophobicContact CD1-CD2 3.73Å; L22-V30 HydrophobicContact CD2-CG2 4.03Å; L22-L33 HydrophobicContact CD2-CD1 3.44Å; L22-L33 VanDerWaalsContact CD2-CD1 3.44Å; L22-L33 HydrophobicContact CD2-CG 4.14Å; L22-L33 HydrophobicContact CG-CD1 3.91Å; L22-P242 HydrophobicContact CD1-CB 4.04Å; L22-P242 HydrophobicContact CD1-CG 4.2Å; L22-P242 HydrophobicContact CD2-CB 4.34Å; L22-P242 HydrophobicContact CD2-CG 4.41Å; L22-P242 HydrophobicContact CG-CB 4.22Å; L22-P242 HydrophobicContact CG-CG 4.02Å; L22-I271 HydrophobicContact CD1-CD1 3.46Å; L22-I271 VanDerWaalsContact CD1-CD1 3.46Å; L22-I271 HydrophobicContact CD1-CG1 4.47Å; L22-I271 HydrophobicContact CD2-CD1 4.17Å; L22-I271 HydrophobicContact CG-CD1 4.48Å
23K90.7Very high81.5Confident144 Ų14468.7 Ų68.763%0.62636%0.357SS*.SBendtrans-68.6-23.7170.5-61.4-179.3-167159.80112.6E21 Q32 D36E21-K23 PolarHBondContact O-N 3.42Å; K23-Q32 HydrophobicContact CD-CG 4.2Å; K23-D36 IonicContact NZ-OD2 3.06Å; K23-D36 PolarHBondContact NZ-OD2 3.48Å
24S94.8Very high83.3Confident43 Ų4362.7 Ų62.730%0.30133%0.331SS..SBendtrans-151.1144.1176.153.60000111.1L22 N26 G29L22-S24 PolarHBondContact O-N 3.27Å; S24-N26 WeakPolarHBondContact CB-OD1 3.44Å; S24-N26 PolarHBondContact O-N 2.82Å; S24-N26 PolarHBondContact OG-OD1 3.45Å; S24-G29 VanDerWaalsContact OG-CA 3.27Å; S24-G29 WeakPolarHBondContact OG-CA 3.18Å; S24-G29 PolarHBondContact OG-N 2.78Å
25L95.4Very high85.5Confident79 Ų7965.5 Ų65.541%0.41433%0.333SS..SBendtrans-84.953179.7-62.1178.1000111.9L22 N267L22-L25 HydrophobicContact CB-CD2 4.4Å; L22-L25 HydrophobicContact CD1-CD2 3.73Å; L25-N267 HydrophobicContact CD1-CB 4.39Å; L25-N267 WeakPolarHBondContact CD1-O 3.27Å
26N97.1Very high87.4Confident62 Ų6265 Ų6533%0.33233%0.331SS..SBendtrans-144.7177.4179.561.112.4000110.6S24 E28 G29 V30S24-N26 WeakPolarHBondContact CB-OD1 3.44Å; S24-N26 PolarHBondContact O-N 2.82Å; S24-N26 PolarHBondContact OG-OD1 3.45Å; N26-E28 VanDerWaalsContact C-N 3.26Å; N26-E28 PolarHBondContact O-N 2.67Å; N26-E28 PolarHBondContact OD1-N 3.16Å; N26-G29 PolarHBondContact O-N 2.99Å; N26-G29 VanDerWaalsContact O-N 3.16Å; N26-G29 PolarHBondContact OD1-N 3.28Å; N26-V30 PolarHBondContact O-N 3.47Å
27I97.9Very high89.4Confident6 Ų660.2 Ų60.23%0.03132%0.315CS..Hα-helixtrans-66.2-29.7-177-163.2166.8000112.1V30 A31 L244 W273 K283 I284 L287I27-V30 PolarHBondContact O-N 3.19Å; I27-A31 PolarHBondContact O-N 2.97Å; I27-L244 HydrophobicContact CD1-CD2 4.5Å; I27-L244 HydrophobicContact CG1-CD1 4.35Å; I27-L244 HydrophobicContact CG1-CD2 4.26Å; I27-W273 HydrophobicContact CD1-CB 4.33Å; I27-W273 HydrophobicContact CD1-CG 3.97Å; I27-K283 HydrophobicContact CD1-CG 4.18Å; I27-K283 HydrophobicContact CG2-CG 4.21Å; I27-I284 HydrophobicContact CD1-CB 3.99Å; I27-I284 HydrophobicContact CG1-CB 4.18Å; I27-I284 HydrophobicContact CG1-CD1 4.43Å; I27-I284 HydrophobicContact CG1-CG1 4.33Å; I27-L287 HydrophobicContact CG1-CD1 4.44Å; I27-L287 HydrophobicContact CG2-CD1 3.93Å
28E98Very high91.3Very high75 Ų7558.8 Ų58.835%0.3530%0.302SS..Hα-helixtrans-60.8-42.4171.5-68.871.2-160.900111.9N26 V30 A31 Q32 K283 L287N26-E28 VanDerWaalsContact C-N 3.26Å; N26-E28 PolarHBondContact O-N 2.67Å; N26-E28 PolarHBondContact OD1-N 3.16Å; E28-V30 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 2.99Å; E28-A31 PolarHBondContact O-N 3.44Å; E28-Q32 PolarHBondContact O-N 3.25Å; E28-K283 VanDerWaalsContact OE1-CE 3.23Å; E28-K283 WeakPolarHBondContact OE1-CE 3.09Å; E28-K283 IonicContact OE1-NZ 2.72Å; E28-K283 PolarHBondContact OE1-NZ 3.24Å; E28-L287 HydrophobicContact CG-CD1 4.06Å; E28-L287 HydrophobicContact CG-CD2 3.93Å
29G97.6Very high93Very high1 Ų153.3 Ų53.31%0.0127%0.266CS..Hα-helixtrans-64.2-37.3176.700000112.7S24 N26 Q32 L33S24-G29 VanDerWaalsContact OG-CA 3.27Å; S24-G29 WeakPolarHBondContact OG-CA 3.18Å; S24-G29 PolarHBondContact OG-N 2.78Å; N26-G29 PolarHBondContact O-N 2.99Å; N26-G29 VanDerWaalsContact O-N 3.16Å; N26-G29 PolarHBondContact OD1-N 3.28Å; G29-Q32 PolarHBondContact O-N 3.37Å; G29-L33 PolarHBondContact O-N 2.72Å; G29-L33 VanDerWaalsContact O-N 3.17Å
30V98Very high94.2Very high0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-67.4-43.5174.1179.70000111.1L22 N26 I27 E28 Q32 L33 I34 L217 L244 I271 I284L22-V30 HydrophobicContact CD2-CG2 4.03Å; N26-V30 PolarHBondContact O-N 3.47Å; I27-V30 PolarHBondContact O-N 3.19Å; E28-V30 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 2.99Å; V30-Q32 VanDerWaalsContact C-N 3.3Å; V30-Q32 PolarHBondContact O-N 3.02Å; V30-L33 WeakPolarHBondContact O-CB 3.47Å; V30-L33 PolarHBondContact O-N 3.22Å; V30-I34 HydrophobicContact CG1-CD1 4.49Å; V30-I34 PolarHBondContact O-N 3.44Å; V30-L217 HydrophobicContact CG1-CD1 3.87Å; V30-L217 HydrophobicContact CG1-CD2 3.77Å; V30-L244 HydrophobicContact CB-CD2 4.5Å; V30-L244 HydrophobicContact CG1-CB 4.44Å; V30-L244 HydrophobicContact CG1-CD2 4.06Å; V30-L244 HydrophobicContact CG2-CB 4.28Å; V30-I271 HydrophobicContact CG2-CB 4.44Å; V30-I271 HydrophobicContact CG2-CD1 3.7Å; V30-I271 HydrophobicContact CG2-CG1 3.88Å; V30-I284 HydrophobicContact CG1-CD1 4.17Å
31A98.1Very high95.2Very high2 Ų252.3 Ų52.32%0.01727%0.269CS..Hα-helixtrans-60.6-41.3176.600000111.6I27 E28 L33 I34 Q35 I284 L287 L288I27-A31 PolarHBondContact O-N 2.97Å; E28-A31 PolarHBondContact O-N 3.44Å; A31-L33 PolarHBondContact O-N 2.71Å; A31-I34 PolarHBondContact O-N 2.83Å; A31-Q35 WeakPolarHBondContact O-CG 3.3Å; A31-Q35 PolarHBondContact O-N 3.49Å; A31-I284 HydrophobicContact CB-CG1 4.45Å; A31-L287 HydrophobicContact CB-CB 3.53Å; A31-L287 HydrophobicContact CB-CD1 4.09Å; A31-L287 HydrophobicContact CB-CG 4.42Å; A31-L288 HydrophobicContact CB-CD2 3.95Å; A31-L288 HydrophobicContact CB-CG 4.27Å; A31-L288 WeakPolarHBondContact O-CD2 3.17Å
32Q97.1Very high96Very high69 Ų6944.9 Ų44.932%0.32223%0.234SC..Hα-helixtrans-61.7-40.3176.6-169.668.463.300112.3K23 E28 G29 V30 I34 Q35 D36K23-Q32 HydrophobicContact CD-CG 4.2Å; E28-Q32 PolarHBondContact O-N 3.25Å; G29-Q32 PolarHBondContact O-N 3.37Å; V30-Q32 VanDerWaalsContact C-N 3.3Å; V30-Q32 PolarHBondContact O-N 3.02Å; Q32-I34 VanDerWaalsContact C-N 3.28Å; Q32-I34 PolarHBondContact O-N 3.48Å; Q32-Q35 PolarHBondContact O-N 2.95Å; Q32-D36 PolarHBondContact NE2-OD1 2.91Å; Q32-D36 VanDerWaalsContact O-CB 3.3Å; Q32-D36 WeakPolarHBondContact O-CB 3.34Å; Q32-D36 VanDerWaalsContact O-CG 3.23Å; Q32-D36 PolarHBondContact O-N 3.26Å
33L96.3Very high96.3Very high3 Ų343.7 Ų43.72%0.01623%0.228CC..Hα-helixtrans-59.4-39.4176.4-76.8-178.9000112.8P20 E21 L22 G29 V30 A31 Q38 V39 P242P20-L33 HydrophobicContact CB-CD1 3.87Å; P20-L33 HydrophobicContact CB-CD2 3.84Å; P20-L33 HydrophobicContact CB-CG 4.42Å; E21-L33 VanDerWaalsContact O-CD2 3.29Å; E21-L33 WeakPolarHBondContact O-CD2 3.49Å; L22-L33 HydrophobicContact CD2-CD1 3.44Å; L22-L33 VanDerWaalsContact CD2-CD1 3.44Å; L22-L33 HydrophobicContact CD2-CG 4.14Å; L22-L33 HydrophobicContact CG-CD1 3.91Å; G29-L33 PolarHBondContact O-N 2.72Å; G29-L33 VanDerWaalsContact O-N 3.17Å; V30-L33 WeakPolarHBondContact O-CB 3.47Å; V30-L33 PolarHBondContact O-N 3.22Å; A31-L33 PolarHBondContact O-N 2.71Å; L33-Q38 HydrophobicContact CD2-CB 4.23Å; L33-Q38 PolarHBondContact O-N 3.46Å; L33-Q38 VanDerWaalsContact O-N 3.09Å; L33-V39 HydrophobicContact CB-CG2 3.97Å; L33-P242 HydrophobicContact CD1-CB 4.31Å; L33-P242 HydrophobicContact CD1-CG 3.66Å
34I96.9Very high96.7Very high13 Ų1336.9 Ų36.97%0.06720%0.198CC..Hα-helixtrans-70.3-44.3177.3-62.5168.6000109.9V30 A31 Q32 D36 G37 V39 I42 L123 L217 I284 L288 W290V30-I34 HydrophobicContact CG1-CD1 4.49Å; V30-I34 PolarHBondContact O-N 3.44Å; A31-I34 PolarHBondContact O-N 2.83Å; Q32-I34 VanDerWaalsContact C-N 3.28Å; Q32-I34 PolarHBondContact O-N 3.48Å; I34-D36 PolarHBondContact O-N 3.48Å; I34-G37 PolarHBondContact O-N 3.13Å; I34-G37 VanDerWaalsContact O-N 3.15Å; I34-V39 HydrophobicContact CG1-CB 4.22Å; I34-V39 HydrophobicContact CG1-CG1 4.34Å; I34-I42 HydrophobicContact CD1-CD1 4.35Å; I34-L123 HydrophobicContact CG2-CD1 3.96Å; I34-L217 HydrophobicContact CD1-CD2 3.92Å; I34-L217 HydrophobicContact CG1-CD2 4.14Å; I34-I284 HydrophobicContact CD1-CD1 4.4Å; I34-L288 HydrophobicContact CB-CD2 3.76Å; I34-L288 HydrophobicContact CD1-CD1 4.05Å; I34-L288 HydrophobicContact CD1-CD2 4.32Å; I34-L288 HydrophobicContact CG2-CD1 4.4Å; I34-L288 HydrophobicContact CG2-CD2 3.77Å; I34-W290 HydrophobicContact CG2-CH2 3.77Å; I34-W290 HydrophobicContact CG2-CZ2 4.17Å
35Q95.6Very high96.8Very high101 Ų10134.8 Ų34.847%0.47218%0.184SC..Hα-helixtrans-64.5-37.1178.1-75.4173.5-37.800113.2A31 Q32 G37 L287 L288A31-Q35 WeakPolarHBondContact O-CG 3.3Å; A31-Q35 PolarHBondContact O-N 3.49Å; Q32-Q35 PolarHBondContact O-N 2.95Å; Q35-G37 PolarHBondContact O-N 2.94Å; Q35-L287 PolarHBondContact NE2-O 3.39Å; Q35-L288 HydrophobicContact CG-CD2 3.89Å
36D94.5Very high97Very high69 Ų6931 Ų3137%0.36916%0.164SC..THydrogen-bonded Turntrans-72.4-5.3177.1-71.7-4.4000112.3K23 Q32 I34 Q38K23-D36 IonicContact NZ-OD2 3.06Å; K23-D36 PolarHBondContact NZ-OD2 3.48Å; Q32-D36 PolarHBondContact NE2-OD1 2.91Å; Q32-D36 VanDerWaalsContact O-CB 3.3Å; Q32-D36 WeakPolarHBondContact O-CB 3.34Å; Q32-D36 VanDerWaalsContact O-CG 3.23Å; Q32-D36 PolarHBondContact O-N 3.26Å; I34-D36 PolarHBondContact O-N 3.48Å; D36-Q38 VanDerWaalsContact C-N 3.26Å; D36-Q38 HydrophobicContact CB-CG 4.07Å; D36-Q38 PolarHBondContact O-N 3.24Å
37G93.8Very high97Very high42 Ų4228.1 Ų28.143%0.43315%0.149SC..THydrogen-bonded Turntrans73.413.7-179.100000114.4I34 Q35 V39 N40I34-G37 PolarHBondContact O-N 3.13Å; I34-G37 VanDerWaalsContact O-N 3.15Å; Q35-G37 PolarHBondContact O-N 2.94Å; G37-V39 VanDerWaalsContact C-N 3.29Å; G37-N40 PolarHBondContact O-ND2 3.27Å
38Q93.8Very high96.9Very high61 Ų6128.6 Ų28.629%0.28515%0.154SC..  trans-75.1-20.4179.3-63.2-175.454.300112.3P20 L33 D36P20-Q38 HydrophobicContact CB-CB 4.28Å; P20-Q38 HydrophobicContact CG-CB 4.41Å; L33-Q38 HydrophobicContact CD2-CB 4.23Å; L33-Q38 PolarHBondContact O-N 3.46Å; L33-Q38 VanDerWaalsContact O-N 3.09Å; D36-Q38 VanDerWaalsContact C-N 3.26Å; D36-Q38 HydrophobicContact CB-CG 4.07Å; D36-Q38 PolarHBondContact O-N 3.24Å
39V95.6Very high96.8Very high1 Ų125.8 Ų25.81%0.00615%0.145CC..  trans-111.6120.2-179.4172.90000109.6P20 L33 I34 G37 I42 L123 D216 L217P20-V39 HydrophobicContact CB-CG2 4.42Å; P20-V39 HydrophobicContact CG-CG2 4.25Å; L33-V39 HydrophobicContact CB-CG2 3.97Å; I34-V39 HydrophobicContact CG1-CB 4.22Å; I34-V39 HydrophobicContact CG1-CG1 4.34Å; G37-V39 VanDerWaalsContact C-N 3.29Å; V39-I42 HydrophobicContact CG1-CD1 3.9Å; V39-I42 HydrophobicContact CG1-CG1 3.43Å; V39-I42 VanDerWaalsContact CG1-CG1 3.43Å; V39-L123 WeakPolarHBondContact O-CD2 3.45Å; V39-D216 HydrophobicContact CB-CB 4.44Å; V39-D216 HydrophobicContact CG1-CB 4.2Å; V39-D216 HydrophobicContact CG2-CB 4.43Å; V39-L217 HydrophobicContact CB-CB 4.49Å; V39-L217 HydrophobicContact CG1-CB 3.6Å; V39-L217 HydrophobicContact CG1-CD2 4.04Å; V39-L217 HydrophobicContact CG1-CG 4.48Å; V39-L217 HydrophobicContact CG2-CB 4.01Å
40N95.6Very high96.8Very high95 Ų9525.8 Ų25.851%0.50814%0.144SC..  trans-125.1-14.9177.7-63.4-79000112.8G37 D216G37-N40 PolarHBondContact O-ND2 3.27Å; N40-D216 PolarHBondContact N-OD2 2.75Å
41K97.9Very high96.7Very high52 Ų5225.8 Ų25.823%0.22614%0.144CC..  trans-131.188.3-175.6-65.6175.7-176.31690111.2L125 N214 D216K41-L125 HydrophobicContact CB-CB 4.07Å; K41-L125 HydrophobicContact CB-CD2 4.1Å; K41-N214 VanDerWaalsContact CB-O 3.24Å; K41-N214 WeakPolarHBondContact CB-O 3.32Å; K41-N214 HydrophobicContact CD-CB 4.03Å; K41-N214 WeakPolarHBondContact CD-O 3.2Å; K41-N214 PolarHBondContact NZ-OD1 2.92Å; K41-D216 WeakPolarHBondContact CB-OD2 3.47Å; K41-D216 PolarHBondContact N-OD2 3.5Å; K41-D216 PolarHBondContact O-N 2.86Å
42I98.6Very high96.6Very high0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-89.8128.6179.5-58.1177.9000109.9I34 V39 T44 L118 L123 L125 L217 I219I34-I42 HydrophobicContact CD1-CD1 4.35Å; V39-I42 HydrophobicContact CG1-CD1 3.9Å; V39-I42 HydrophobicContact CG1-CG1 3.43Å; V39-I42 VanDerWaalsContact CG1-CG1 3.43Å; I42-T44 HydrophobicContact CG2-CG2 4.28Å; I42-L118 HydrophobicContact CD1-CD1 4.42Å; I42-L118 HydrophobicContact CD1-CD2 3.89Å; I42-L118 HydrophobicContact CG2-CD1 4.08Å; I42-L123 HydrophobicContact CD1-CB 3.88Å; I42-L123 HydrophobicContact CD1-CD1 4.36Å; I42-L123 HydrophobicContact CG1-CB 4.31Å; I42-L123 PolarHBondContact N-O 3.38Å; I42-L125 WeakPolarHBondContact O-CB 3.43Å; I42-L125 PolarHBondContact O-N 3.01Å; I42-L217 WeakPolarHBondContact CA-O 3.5Å; I42-L217 HydrophobicContact CD1-CD2 4.11Å; I42-L217 HydrophobicContact CG1-CB 4.27Å; I42-L217 HydrophobicContact CG1-CD2 4.21Å; I42-I219 HydrophobicContact CG2-CD1 3.74Å; I42-I219 HydrophobicContact CG2-CG1 3.91Å
43I98.7Very high96.4Very high0 Ų027.5 Ų27.50%017%0.166CC..EExtended strand (participates in β ladder)trans-98.9134163.1-65.4-178.6000108.6M45 L125 R126 Y128 D211 L212 C215 L217 L218 I219I43-M45 HydrophobicContact CG2-CG 4.43Å; I43-L125 HydrophobicContact CD1-CD2 4.24Å; I43-L125 HydrophobicContact CG1-CB 4.34Å; I43-L125 HydrophobicContact CG1-CD2 4.08Å; I43-L125 HydrophobicContact CG1-CG 4.45Å; I43-R126 WeakPolarHBondContact CA-O 3.32Å; I43-Y128 HydrophobicContact CG2-CD2 3.77Å; I43-Y128 HydrophobicContact CG2-CE2 4.01Å; I43-D211 HydrophobicContact CD1-CB 3.93Å; I43-D211 WeakPolarHBondContact CD1-O 3.28Å; I43-L212 HydrophobicContact CD1-CD2 4.11Å; I43-C215 HydrophobicContact CD1-CB 3.74Å; I43-C215 HydrophobicContact CG1-CB 4.12Å; I43-L217 PolarHBondContact N-O 2.72Å; I43-L218 HydrophobicContact CB-CD1 3.84Å; I43-L218 HydrophobicContact CG2-CD1 3.67Å; I43-L218 WeakPolarHBondContact O-CA 3.46Å; I43-I219 PolarHBondContact O-N 3.34Å
44T98.8Very high96.4Very high0 Ų028.4 Ų28.40%018%0.175CC..EExtended strand (participates in β ladder)trans-108.4136.8169.547.30000110.1I42 I115 L118 L124 R126 H127 Y128 I219I42-T44 HydrophobicContact CG2-CG2 4.28Å; T44-I115 HydrophobicContact CG2-CG1 4.23Å; T44-L118 HydrophobicContact CG2-CD1 3.9Å; T44-L124 HydrophobicContact CG2-CD1 4.12Å; T44-R126 PolarHBondContact N-O 3.14Å; T44-H127 WeakPolarHBondContact OG1-CA 3.34Å; T44-H127 PolarHBondContact OG1-ND1 3.31Å; T44-Y128 PolarHBondContact O-N 2.9Å; T44-I219 CarbonylContact C-O 2.95Å; T44-I219 VanDerWaalsContact CA-O 3.23Å; T44-I219 WeakPolarHBondContact CA-O 3.38Å; T44-I219 HydrophobicContact CG2-CB 4.11Å
45M98.3Very high96.1Very high0 Ų029.9 Ų29.90%019%0.193CC..EExtended strand (participates in β ladder)trans-123.9118.2174.6-75178.964.400109.2I43 Y128 L218 I219 I220 M221 L225 F230 M233 I234I43-M45 HydrophobicContact CG2-CG 4.43Å; M45-Y128 CarbonylContact C-O 3.55Å; M45-Y128 VanDerWaalsContact CA-O 3.32Å; M45-Y128 WeakPolarHBondContact CA-O 3.33Å; M45-L218 HydrophobicContact CG-CD1 4Å; M45-L218 HydrophobicContact SD-CD1 3.85Å; M45-L218 HydrophobicContact SD-CD2 4.19Å; M45-I219 PolarHBondContact N-O 3.43Å; M45-I220 HydrophobicContact CB-CG1 4.4Å; M45-I220 CarbonylContact O-C 3.48Å; M45-I220 VanDerWaalsContact O-CA 3.29Å; M45-I220 WeakPolarHBondContact O-CA 3.49Å; M45-M221 PolarHBondContact O-N 2.9Å; M45-L225 HydrophobicContact CE-CD2 4.44Å; M45-F230 HydrophobicContact CB-CE1 4.01Å; M45-F230 HydrophobicContact CB-CZ 3.95Å; M45-F230 HydrophobicContact CE-CD1 3.63Å; M45-F230 HydrophobicContact CE-CE1 3.42Å; M45-F230 VanDerWaalsContact CE-CE1 3.42Å; M45-F230 HydrophobicContact CE-CG 4.36Å; M45-F230 HydrophobicContact CE-CZ 4Å; M45-F230 WeakPolarHBondContact CE-O 3.45Å; M45-F230 HydrophobicContact CG-CE1 4.43Å; M45-F230 HydrophobicContact CG-CZ 4.23Å; M45-M233 HydrophobicContact CE-CB 3.71Å; M45-M233 HydrophobicContact CE-CE 4.44Å; M45-M233 HydrophobicContact CE-CG 4.34Å; M45-M233 HydrophobicContact CE-SD 4.09Å; M45-M233 HydrophobicContact CG-CE 4.17Å; M45-M233 HydrophobicContact SD-CB 3.75Å; M45-M233 HydrophobicContact SD-CE 4.01Å; M45-M233 HydrophobicContact SD-SD 4.43Å; M45-I234 HydrophobicContact CE-CG2 3.95Å; M45-I234 HydrophobicContact SD-CG2 4.02Å
46V98.5Very high95.9Very high0 Ų026.2 Ų26.20%018%0.176CC..EExtended strand (participates in β ladder)trans-127.1159.7-175.3-53.50000114.2V50 I115 H127 Y128 T129 Q130 M221 F230V46-V50 HydrophobicContact CB-CG1 3.92Å; V46-V50 HydrophobicContact CB-CG2 4.08Å; V46-V50 HydrophobicContact CG1-CG1 4Å; V46-V50 HydrophobicContact CG2-CG2 4.14Å; V46-I115 HydrophobicContact CG1-CD1 4.13Å; V46-H127 WeakPolarHBondContact CG2-CE1 3.38Å; V46-Y128 PolarHBondContact N-O 2.93Å; V46-T129 WeakPolarHBondContact CG2-OG1 3.5Å; V46-Q130 PolarHBondContact O-N 3.42Å; V46-Q130 PolarHBondContact O-NE2 3.28Å; V46-Q130 VanDerWaalsContact O-NE2 3.16Å; V46-M221 VanDerWaalsContact CA-O 3.25Å; V46-M221 WeakPolarHBondContact CA-O 3.43Å; V46-M221 HydrophobicContact CG1-CB 4.11Å; V46-M221 HydrophobicContact CG1-CE 3.75Å; V46-F230 WeakPolarHBondContact O-CZ 3.48Å
47G97.3Very high95.5Very high1 Ų124.6 Ų24.61%0.0117%0.17CC..  trans-139.3-167.4169.600000111.5G49 V50 N131 M221 G222G47-G49 PolarHBondContact O-N 3.3Å; G47-V50 WeakPolarHBondContact O-CG2 3.41Å; G47-V50 PolarHBondContact O-N 3.41Å; G47-V50 VanDerWaalsContact O-N 3.11Å; G47-N131 WeakPolarHBondContact CA-OD1 3.33Å; G47-N131 PolarHBondContact O-ND2 3.37Å; G47-N131 VanDerWaalsContact O-ND2 3.14Å; G47-N131 PolarHBondContact O-OD1 2.78Å; G47-M221 PolarHBondContact N-O 2.6Å; G47-G222 CarbonylContact C-O 3.59Å; G47-G222 VanDerWaalsContact CA-O 3.28Å; G47-G222 WeakPolarHBondContact CA-O 3.46Å
48A95Very high95Very high16 Ų1623.8 Ų23.813%0.13216%0.155CC..G310 helixtrans-60.5-22-165.900000114.3V50 S51 T52 D58 F59 N131 G222A48-V50 PolarHBondContact O-N 2.93Å; A48-V50 VanDerWaalsContact O-N 3.15Å; A48-S51 PolarHBondContact O-N 3.16Å; A48-T52 PolarHBondContact O-N 2.97Å; A48-D58 HydrophobicContact CB-CB 3.67Å; A48-F59 HydrophobicContact CB-CD2 4.12Å; A48-F59 HydrophobicContact CB-CE2 4.3Å; A48-N131 WeakPolarHBondContact CA-OD1 3.31Å; A48-N131 PolarHBondContact N-OD1 2.84Å; A48-G222 PolarHBondContact N-O 2.79Å
49G96.2Very high94.3Very high16 Ų1623.8 Ų23.817%0.16515%0.154CC..G310 helixtrans-56.5-29.2176.600000113.8G47 S51 T52 G222G47-G49 PolarHBondContact O-N 3.3Å; G49-S51 VanDerWaalsContact C-N 3.27Å; G49-S51 PolarHBondContact O-N 3.03Å; G49-T52 PolarHBondContact O-OG1 3.34Å; G49-G222 WeakPolarHBondContact CA-O 3.33Å; G49-G222 PolarHBondContact N-O 3.37Å
50V97.9Very high93.5Very high0 Ų028.8 Ų28.80%017%0.173CC..G310 helixtrans-72.8-19.9176.4-53.90000113.3V46 G47 A48 T109 A111 H112 N131 M221 A277V46-V50 HydrophobicContact CB-CG1 3.92Å; V46-V50 HydrophobicContact CB-CG2 4.08Å; V46-V50 HydrophobicContact CG1-CG1 4Å; V46-V50 HydrophobicContact CG2-CG2 4.14Å; G47-V50 WeakPolarHBondContact O-CG2 3.41Å; G47-V50 PolarHBondContact O-N 3.41Å; G47-V50 VanDerWaalsContact O-N 3.11Å; A48-V50 PolarHBondContact O-N 2.93Å; A48-V50 VanDerWaalsContact O-N 3.15Å; V50-T109 WeakPolarHBondContact O-CB 3.41Å; V50-T109 WeakPolarHBondContact O-CG2 3.17Å; V50-T109 PolarHBondContact O-OG1 3.15Å; V50-A111 HydrophobicContact CB-CB 3.96Å; V50-A111 HydrophobicContact CG1-CB 4.15Å; V50-H112 PolarHBondContact O-CE1 3.27Å; V50-N131 WeakPolarHBondContact CG2-ND2 3.31Å; V50-M221 HydrophobicContact CG1-CB 3.71Å; V50-A277 HydrophobicContact CB-CB 4.42Å; V50-A277 HydrophobicContact CG1-CB 3.95Å
51S97.2Very high92.6Very high0 Ų025.5 Ų25.50%016%0.158CC..THydrogen-bonded Turntrans-99-7.2-178.3-55.50000113.2A48 G49 A53 A54 N131 D133A48-S51 PolarHBondContact O-N 3.16Å; G49-S51 VanDerWaalsContact C-N 3.27Å; G49-S51 PolarHBondContact O-N 3.03Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 3.08Å; S51-A54 WeakPolarHBondContact O-CA 3.35Å; S51-A54 VanDerWaalsContact O-CB 3.31Å; S51-A54 WeakPolarHBondContact O-CB 3.2Å; S51-A54 PolarHBondContact O-N 3.38Å; S51-N131 PolarHBondContact OG-ND2 3.24Å; S51-D133 VanDerWaalsContact CB-OD2 3.27Å; S51-D133 WeakPolarHBondContact CB-OD2 3.44Å; S51-D133 PolarHBondContact OG-OD2 3.46Å
52T94.1Very high91.6Very high39 Ų3927.5 Ų27.524%0.23918%0.176CC..G310 helixtrans-59.3-39-178.556.80000113.3A48 G49 A54 G55 I56 D58A48-T52 PolarHBondContact O-N 2.97Å; G49-T52 PolarHBondContact O-OG1 3.34Å; T52-A54 PolarHBondContact O-N 3.41Å; T52-G55 PolarHBondContact O-N 3.47Å; T52-I56 VanDerWaalsContact CA-O 3.3Å; T52-I56 WeakPolarHBondContact CA-O 3.29Å; T52-D58 HydrophobicContact CG2-CB 4.16Å
53A94.4Very high90.4Very high68 Ų6832.4 Ų32.456%0.56221%0.21SC*.G310 helixtrans-68.1-14.8175.400000113.6S51 G55 T109S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 3.08Å; A53-G55 VanDerWaalsContact C-N 3.29Å; A53-T109 HydrophobicContact CB-CG2 3.86Å
54A94.9Very high89.4Confident23 Ų2335.4 Ų35.419%0.1923%0.231CC..G310 helixtrans-87.45.217200000113.2S51 T52 I56 A106 K107 T109 L135S51-A54 WeakPolarHBondContact O-CA 3.35Å; S51-A54 VanDerWaalsContact O-CB 3.31Å; S51-A54 WeakPolarHBondContact O-CB 3.2Å; S51-A54 PolarHBondContact O-N 3.38Å; T52-A54 PolarHBondContact O-N 3.41Å; A54-I56 VanDerWaalsContact C-N 3.34Å; A54-A106 HydrophobicContact CB-CB 4.46Å; A54-K107 VanDerWaalsContact CB-O 3.27Å; A54-K107 WeakPolarHBondContact CB-O 3.27Å; A54-T109 HydrophobicContact CB-CG2 3.78Å; A54-L135 HydrophobicContact CB-CD1 3.72Å
55G91.9Very high88.2Confident44 Ų4435.4 Ų35.445%0.45423%0.231SC..THydrogen-bonded Turntrans79.115.2-178.200000114.3T52 A53 R103T52-G55 PolarHBondContact O-N 3.47Å; A53-G55 VanDerWaalsContact C-N 3.29Å; G55-R103 PolarHBondContact O-NE 2.96Å
56I90Very high87.2Confident23 Ų2335.9 Ų35.912%0.11823%0.234CC..  trans-97.6114.6173.6-56.6-179.7000107.7T52 A54 R103 A106 D133 L135T52-I56 VanDerWaalsContact CA-O 3.3Å; T52-I56 WeakPolarHBondContact CA-O 3.29Å; A54-I56 VanDerWaalsContact C-N 3.34Å; I56-R103 HydrophobicContact CG1-CB 4.45Å; I56-R103 HydrophobicContact CG1-CG 4.12Å; I56-A106 HydrophobicContact CD1-CB 4Å; I56-A106 HydrophobicContact CG1-CB 4.29Å; I56-D133 HydrophobicContact CD1-CB 3.56Å; I56-L135 HydrophobicContact CD1-CD1 3.98Å; I56-L135 HydrophobicContact CD1-CG 4.38Å
57P86.9Confident86.1Confident36 Ų3637.2 Ų37.223%0.23424%0.239CC..  trans-66.2150.3-178.629.4-35.1000110.7S64 I66 L101P57-S64 WeakPolarHBondContact CB-O 3.43Å; P57-I66 HydrophobicContact CG-CG1 4.08Å; P57-L101 HydrophobicContact CG-CD2 3.43Å; P57-L101 VanDerWaalsContact CG-CD2 3.43Å
58D83.6Confident84.9Confident24 Ų2441.1 Ų41.113%0.12826%0.259CS..  trans-76.7-179.6165.87241.8000111.3A48 T52 R60 S61 G65 I66A48-D58 HydrophobicContact CB-CB 3.67Å; T52-D58 HydrophobicContact CG2-CB 4.16Å; D58-R60 PolarHBondContact OD1-N 3.28Å; D58-S61 VanDerWaalsContact CG-OG 3.31Å; D58-S61 VanDerWaalsContact OD1-CB 3.24Å; D58-S61 WeakPolarHBondContact OD1-CB 3.48Å; D58-S61 PolarHBondContact OD1-N 2.95Å; D58-S61 PolarHBondContact OD1-OG 3.17Å; D58-S61 WeakPolarHBondContact OD2-CB 3.33Å; D58-S61 PolarHBondContact OD2-OG 3.28Å; D58-G65 CarbonylContact O-C 3.47Å; D58-G65 VanDerWaalsContact O-CA 3.3Å; D58-G65 WeakPolarHBondContact O-CA 3.23Å; D58-I66 WeakPolarHBondContact O-CG1 3.42Å; D58-I66 PolarHBondContact O-N 2.79Å
59F79.9Confident83.7Confident61 Ų6144.6 Ų44.627%0.26828%0.276SS..SBendtrans-84.8-32.2-178-68.1-90.4000113.6A48 I66 Y67 F82A48-F59 HydrophobicContact CB-CD2 4.12Å; A48-F59 HydrophobicContact CB-CE2 4.3Å; F59-I66 HydrophobicContact CD1-CB 4.34Å; F59-I66 HydrophobicContact CD1-CD1 3.62Å; F59-I66 HydrophobicContact CE1-CD1 3.64Å; F59-I66 HydrophobicContact CG-CD1 4.09Å; F59-I66 HydrophobicContact CZ-CD1 4.11Å; F59-I66 PolarHBondContact O-N 3.32Å; F59-Y67 HydrophobicContact CB-CD2 4.24Å; F59-Y67 HydrophobicContact CB-CE2 3.85Å; F59-Y67 WeakPolarHBondContact O-CD2 3.42Å; F59-Y67 PolarHBondContact O-N 3.25Å; F59-F82 AromaticContact CD1-CE2 3.87Å; F59-F82 HydrophobicContact CD1-CE2 3.87Å; F59-F82 HydrophobicContact CD1-CZ 4.15Å; F59-F82 HydrophobicContact CE1-CD2 4.49Å; F59-F82 HydrophobicContact CE1-CE1 4.26Å; F59-F82 AromaticContact CE1-CE2 3.9Å; F59-F82 HydrophobicContact CE1-CE2 3.9Å; F59-F82 AromaticContact CE1-CZ 3.78Å; F59-F82 HydrophobicContact CE1-CZ 3.78Å
60R77.8Confident82.7Confident106 Ų10644.3 Ų44.340%0.427%0.271SS..SBendtrans-123.6-11.9-155.5-65.6-175.8-178.384.73.8115D58 Y67 T226D58-R60 PolarHBondContact OD1-N 3.28Å; R60-Y67 HydrophobicContact CG-CD2 4.12Å; R60-Y67 HydrophobicContact CG-CE2 4.06Å; R60-T226 VanDerWaalsContact CZ-OG1 3.32Å; R60-T226 PolarHBondContact NE-OG1 2.66Å
61S77.1Confident81.3Confident26 Ų2652.7 Ų52.718%0.18231%0.31CS..SBendtrans-61.6132.6178.5-79.70000109.8D58 S63 S64 G65D58-S61 VanDerWaalsContact CG-OG 3.31Å; D58-S61 VanDerWaalsContact OD1-CB 3.24Å; D58-S61 WeakPolarHBondContact OD1-CB 3.48Å; D58-S61 PolarHBondContact OD1-N 2.95Å; D58-S61 PolarHBondContact OD1-OG 3.17Å; D58-S61 WeakPolarHBondContact OD2-CB 3.33Å; D58-S61 PolarHBondContact OD2-OG 3.28Å; S61-S63 PolarHBondContact O-N 3.21Å; S61-S64 WeakPolarHBondContact CB-OG 3.05Å; S61-G65 WeakPolarHBondContact O-CA 3.38Å; S61-G65 PolarHBondContact O-N 3.31Å
62P75.5Confident80.1Confident94 Ų9458 Ų5861%0.6134%0.338SS*.THydrogen-bonded Turntrans-55.3140.3175.8-2533.8000111.3S64 D68P62-S64 PolarHBondContact O-N 3.45Å; P62-D68 VanDerWaalsContact CA-OD2 3.31Å; P62-D68 WeakPolarHBondContact CA-OD2 3.44Å
63S74.9Confident79Confident104 Ų10457.8 Ų57.873%0.72733%0.334SS*.THydrogen-bonded Turntrans65.6-32179.371.90000117.2S61 D68S61-S63 PolarHBondContact O-N 3.21Å; S63-D68 PolarHBondContact N-OD2 2.68Å
64S77.9Confident78.2Confident62 Ų6262 Ų6243%0.43435%0.347SS..THydrogen-bonded Turntrans-105.1-15.5-17963.90000114P57 S61 P62P57-S64 WeakPolarHBondContact CB-O 3.43Å; S61-S64 WeakPolarHBondContact CB-OG 3.05Å; P62-S64 PolarHBondContact O-N 3.45Å
65G72.7Confident77.2Confident0 Ų062.4 Ų62.40%035%0.346CS..SBendtrans-71.7152.9-177.400000112.2D58 S61 Y67 D68 N69D58-G65 CarbonylContact O-C 3.47Å; D58-G65 VanDerWaalsContact O-CA 3.3Å; D58-G65 WeakPolarHBondContact O-CA 3.23Å; S61-G65 WeakPolarHBondContact O-CA 3.38Å; S61-G65 PolarHBondContact O-N 3.31Å; G65-Y67 PolarHBondContact O-N 3.27Å; G65-D68 PolarHBondContact O-N 3.09Å; G65-N69 PolarHBondContact O-ND2 3.33Å
66I77.3Confident76.5Confident10 Ų1064.6 Ų64.65%0.05135%0.352CS..G310 helixtrans-56.6-41179.2-66.2158.6000111.4P57 D58 F59 D68 N69 L70 F82 I97 L101P57-I66 HydrophobicContact CG-CG1 4.08Å; D58-I66 WeakPolarHBondContact O-CG1 3.42Å; D58-I66 PolarHBondContact O-N 2.79Å; F59-I66 HydrophobicContact CD1-CB 4.34Å; F59-I66 HydrophobicContact CD1-CD1 3.62Å; F59-I66 HydrophobicContact CE1-CD1 3.64Å; F59-I66 HydrophobicContact CG-CD1 4.09Å; F59-I66 HydrophobicContact CZ-CD1 4.11Å; F59-I66 PolarHBondContact O-N 3.32Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 2.65Å; I66-N69 PolarHBondContact O-N 3.22Å; I66-N69 VanDerWaalsContact O-N 3.11Å; I66-L70 HydrophobicContact CG2-CD2 4.08Å; I66-L70 VanDerWaalsContact O-CG 3.29Å; I66-L70 WeakPolarHBondContact O-CG 3.37Å; I66-F82 HydrophobicContact CG2-CE2 4.24Å; I66-F82 HydrophobicContact CG2-CZ 3.93Å; I66-I97 HydrophobicContact CG2-CG2 4.14Å; I66-L101 HydrophobicContact CD1-CD1 3.53Å; I66-L101 HydrophobicContact CD1-CD2 3.96Å; I66-L101 HydrophobicContact CD1-CG 4.38Å; I66-L101 HydrophobicContact CG1-CD1 4.16Å; I66-L101 HydrophobicContact CG1-CD2 3.93Å
67Y75.1Confident75.9Confident29 Ų2967.2 Ų67.211%0.11437%0.369CS..G310 helixtrans-63.8-30.5-175.8-69.4-47.3000114.5F59 R60 G65 N69 L70 P78 F82F59-Y67 HydrophobicContact CB-CD2 4.24Å; F59-Y67 HydrophobicContact CB-CE2 3.85Å; F59-Y67 WeakPolarHBondContact O-CD2 3.42Å; F59-Y67 PolarHBondContact O-N 3.25Å; R60-Y67 HydrophobicContact CG-CD2 4.12Å; R60-Y67 HydrophobicContact CG-CE2 4.06Å; G65-Y67 PolarHBondContact O-N 3.27Å; Y67-N69 PolarHBondContact O-N 3.38Å; Y67-L70 HydrophobicContact CD1-CD1 3.87Å; Y67-P78 HydrophobicContact CD1-CB 3.69Å; Y67-P78 WeakPolarHBondContact CD1-O 3.44Å; Y67-P78 HydrophobicContact CE1-CB 4.49Å; Y67-P78 WeakPolarHBondContact CE1-O 3.29Å; Y67-P78 HydrophobicContact CG-CB 4.04Å; Y67-F82 HydrophobicContact CD1-CE2 4.25Å; Y67-F82 AromaticContact CE1-CD2 3.55Å; Y67-F82 HydrophobicContact CE1-CD2 3.55Å; Y67-F82 AromaticContact CE1-CE2 3.48Å; Y67-F82 HydrophobicContact CE1-CE2 3.48Å; Y67-F82 VanDerWaalsContact CE1-CE2 3.48Å; Y67-F82 AromaticContact CZ-CD2 3.91Å; Y67-F82 WeakPolarHBondContact OH-CD2 3.4Å
68D71.7Confident75.3Confident82 Ų8268.5 Ų68.544%0.43938%0.378SS..G310 helixtrans-77.7-7179.2-72.80.9000112.5P62 S63 G65 I66P62-D68 VanDerWaalsContact CA-OD2 3.31Å; P62-D68 WeakPolarHBondContact CA-OD2 3.44Å; S63-D68 PolarHBondContact N-OD2 2.68Å; G65-D68 PolarHBondContact O-N 3.09Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 2.65Å
69N69.7Low75.1Confident90 Ų9071 Ų7148%0.48139%0.391SS..G310 helixtrans-118.226.8-174.9-67.5-74.3000112.8G65 I66 Y67G65-N69 PolarHBondContact O-ND2 3.33Å; I66-N69 PolarHBondContact O-N 3.22Å; I66-N69 VanDerWaalsContact O-N 3.11Å; Y67-N69 PolarHBondContact O-N 3.38Å
70L75.5Confident75.4Confident10 Ų1068.4 Ų68.45%0.05238%0.381CS..  trans-106.37.6-176.5-58.3-178000114.9I66 Y67 D72 F73 L75 P78 I81 I97I66-L70 HydrophobicContact CG2-CD2 4.08Å; I66-L70 VanDerWaalsContact O-CG 3.29Å; I66-L70 WeakPolarHBondContact O-CG 3.37Å; Y67-L70 HydrophobicContact CD1-CD1 3.87Å; L70-D72 PolarHBondContact O-N 3.39Å; L70-F73 HydrophobicContact CB-CD2 4.38Å; L70-F73 HydrophobicContact CD2-CD2 4.3Å; L70-F73 HydrophobicContact CD2-CE2 4.36Å; L70-F73 PolarHBondContact O-N 3.15Å; L70-F73 VanDerWaalsContact O-N 3.09Å; L70-L75 HydrophobicContact CB-CD1 3.94Å; L70-L75 HydrophobicContact CD1-CD1 3.76Å; L70-L75 HydrophobicContact CG-CD1 4.39Å; L70-P78 VanDerWaalsContact CD1-O 3.28Å; L70-P78 WeakPolarHBondContact CD1-O 3.08Å; L70-I81 HydrophobicContact CD1-CG2 3.93Å; L70-I81 HydrophobicContact CD2-CD1 4.3Å; L70-I97 HydrophobicContact CD2-CD1 3.42Å; L70-I97 VanDerWaalsContact CD2-CD1 3.42Å; L70-I97 HydrophobicContact CD2-CG1 3.77Å
71E68.4Low75.8Confident175 Ų17563.4 Ų63.482%0.81836%0.362SS*.G310 helixtrans-54.7-30.3-173.4-63-174.6170.400113.2F73E71-F73 PolarHBondContact O-N 2.8Å; E71-F73 VanDerWaalsContact O-N 3.08Å
72D71.9Confident76.4Confident111 Ų11163.2 Ų63.259%0.59436%0.358SS*.G310 helixtrans-60-19.4179.2-62.6-25.4000114.8L70 R100L70-D72 PolarHBondContact O-N 3.39Å; D72-R100 IonicContact OD2-CZ 3.15Å; D72-R100 IonicContact OD2-NH1 3.42Å; D72-R100 PolarHBondContact OD2-NH1 2.86Å; D72-R100 IonicContact OD2-NH2 3.01Å; D72-R100 PolarHBondContact OD2-NH2 3.19Å
73F72.8Confident77.2Confident35 Ų3560.5 Ų60.515%0.15434%0.339CS..G310 helixtrans-102.60.3-164.6-64.4-70.9000115.9L70 E71 L75 I81 P93 E96 I97L70-F73 HydrophobicContact CB-CD2 4.38Å; L70-F73 HydrophobicContact CD2-CD2 4.3Å; L70-F73 HydrophobicContact CD2-CE2 4.36Å; L70-F73 PolarHBondContact O-N 3.15Å; L70-F73 VanDerWaalsContact O-N 3.09Å; E71-F73 PolarHBondContact O-N 2.8Å; E71-F73 VanDerWaalsContact O-N 3.08Å; F73-L75 HydrophobicContact CB-CD1 4.13Å; F73-L75 HydrophobicContact CB-CD2 3.8Å; F73-L75 HydrophobicContact CB-CG 3.62Å; F73-L75 PolarHBondContact O-N 2.65Å; F73-L75 VanDerWaalsContact O-N 3.13Å; F73-I81 HydrophobicContact CD2-CD1 4.44Å; F73-P93 HydrophobicContact CB-CB 4.37Å; F73-P93 HydrophobicContact CD1-CB 3.48Å; F73-P93 VanDerWaalsContact CD1-CB 3.48Å; F73-P93 HydrophobicContact CD1-CG 3.75Å; F73-P93 HydrophobicContact CE1-CB 3.87Å; F73-P93 HydrophobicContact CE1-CG 4.36Å; F73-P93 HydrophobicContact CG-CB 3.94Å; F73-P93 HydrophobicContact CG-CG 4.43Å; F73-E96 HydrophobicContact CE1-CB 3.99Å; F73-E96 HydrophobicContact CE1-CG 3.94Å; F73-E96 HydrophobicContact CZ-CB 3.86Å; F73-E96 HydrophobicContact CZ-CG 3.5Å; F73-E96 VanDerWaalsContact CZ-CG 3.5Å; F73-I97 HydrophobicContact CE2-CD1 3.69Å; F73-I97 HydrophobicContact CE2-CG1 4.07Å; F73-I97 HydrophobicContact CZ-CD1 4.2Å; F73-I97 HydrophobicContact CZ-CG1 4.38Å
74N75.6Confident78.2Confident156 Ų15656 Ų5683%0.83431%0.307SS*.  trans44.545.4-176.7-75.7-26.2000112.5
75L75.4Confident78.9Confident32 Ų3258.6 Ų58.617%0.16832%0.316CS..  trans-73.5145.1-175.5-60.6171.8000110.8L70 F73 T77 I81 Y86L70-L75 HydrophobicContact CB-CD1 3.94Å; L70-L75 HydrophobicContact CD1-CD1 3.76Å; L70-L75 HydrophobicContact CG-CD1 4.39Å; F73-L75 HydrophobicContact CB-CD1 4.13Å; F73-L75 HydrophobicContact CB-CD2 3.8Å; F73-L75 HydrophobicContact CB-CG 3.62Å; F73-L75 PolarHBondContact O-N 2.65Å; F73-L75 VanDerWaalsContact O-N 3.13Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 WeakPolarHBondContact CB-O 3.41Å; L75-T77 PolarHBondContact O-N 3.14Å; L75-I81 HydrophobicContact CD1-CB 3.88Å; L75-I81 HydrophobicContact CD1-CD1 4.35Å; L75-I81 HydrophobicContact CD1-CG2 4.29Å; L75-I81 HydrophobicContact CD2-CB 4.22Å; L75-Y86 HydrophobicContact CD2-CE1 4.06Å; L75-Y86 HydrophobicContact CD2-CE2 3.75Å; L75-Y86 VanDerWaalsContact CD2-CZ 3.46Å; L75-Y86 WeakPolarHBondContact CD2-OH 3.3Å
76P76.6Confident79.9Confident91 Ų9159.5 Ų59.559%0.59132%0.32SS*.SBendtrans-66.7-29.6175.725.6-32.3000112.6A80 Y86P76-A80 HydrophobicContact CG-CB 3.63Å; P76-Y86 HydrophobicContact CG-CD2 4.4Å; P76-Y86 HydrophobicContact CG-CE2 4.45Å
77T77.8Confident80.7Confident77 Ų7759.1 Ų59.147%0.47232%0.318SS..SBendtrans-148.3155.4167.861.90000108.4L75 N79 A80L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 WeakPolarHBondContact CB-O 3.41Å; L75-T77 PolarHBondContact O-N 3.14Å; T77-N79 PolarHBondContact O-N 3.31Å; T77-N79 VanDerWaalsContact O-N 3.12Å; T77-A80 WeakPolarHBondContact O-CB 3.3Å; T77-A80 PolarHBondContact O-N 2.97Å; T77-A80 PolarHBondContact OG1-N 3.44Å
78P73.7Confident81.6Confident64 Ų6465.5 Ų65.542%0.41634%0.342SS..G310 helixtrans-54.5-34.2177.5-26.634.7000112.9Y67 L70 A80 I81Y67-P78 HydrophobicContact CD1-CB 3.69Å; Y67-P78 WeakPolarHBondContact CD1-O 3.44Å; Y67-P78 HydrophobicContact CE1-CB 4.49Å; Y67-P78 WeakPolarHBondContact CE1-O 3.29Å; Y67-P78 HydrophobicContact CG-CB 4.04Å; L70-P78 VanDerWaalsContact CD1-O 3.28Å; L70-P78 WeakPolarHBondContact CD1-O 3.08Å; P78-A80 VanDerWaalsContact C-N 3.3Å; P78-A80 PolarHBondContact O-N 3.21Å; P78-I81 WeakPolarHBondContact O-CG2 3.4Å
79N79.9Confident82.6Confident77 Ų7769.9 Ų69.941%0.41235%0.352SS..G310 helixtrans-75.8-18.6-177.5-44.27000112.6T77 I81 F82T77-N79 PolarHBondContact O-N 3.31Å; T77-N79 VanDerWaalsContact O-N 3.12Å; N79-I81 PolarHBondContact O-N 2.97Å; N79-F82 PolarHBondContact O-N 3.47Å
80A85.7Confident83.7Confident6 Ų666.9 Ų66.95%0.0534%0.336CS..G310 helixtrans-57.7-37.1-171.800000112.3P76 T77 P78 F82 T83 Y86P76-A80 HydrophobicContact CG-CB 3.63Å; T77-A80 WeakPolarHBondContact O-CB 3.3Å; T77-A80 PolarHBondContact O-N 2.97Å; T77-A80 PolarHBondContact OG1-N 3.44Å; P78-A80 VanDerWaalsContact C-N 3.3Å; P78-A80 PolarHBondContact O-N 3.21Å; A80-F82 PolarHBondContact O-N 3.46Å; A80-F82 VanDerWaalsContact O-N 3.11Å; A80-T83 WeakPolarHBondContact O-CB 3.2Å; A80-T83 PolarHBondContact O-N 3.37Å; A80-T83 PolarHBondContact O-OG1 3.06Å; A80-Y86 HydrophobicContact CB-CD2 3.92Å; A80-Y86 HydrophobicContact CB-CE2 4.48Å; A80-Y86 HydrophobicContact CB-CG 4.43Å; A80-Y86 WeakPolarHBondContact O-CB 3.36Å
81I87.4Confident84.6Confident0 Ų067.3 Ų67.30%034%0.339CS..G310 helixtrans-57.7-25.3178.1-165.5163.1000113.8L70 F73 L75 P78 N79 P93 F94 I97L70-I81 HydrophobicContact CD1-CG2 3.93Å; L70-I81 HydrophobicContact CD2-CD1 4.3Å; F73-I81 HydrophobicContact CD2-CD1 4.44Å; L75-I81 HydrophobicContact CD1-CB 3.88Å; L75-I81 HydrophobicContact CD1-CD1 4.35Å; L75-I81 HydrophobicContact CD1-CG2 4.29Å; L75-I81 HydrophobicContact CD2-CB 4.22Å; P78-I81 WeakPolarHBondContact O-CG2 3.4Å; N79-I81 PolarHBondContact O-N 2.97Å; I81-P93 HydrophobicContact CD1-CB 3.59Å; I81-P93 HydrophobicContact CG1-CB 3.89Å; I81-F94 HydrophobicContact CG1-CB 4.46Å; I81-I97 HydrophobicContact CD1-CB 4.28Å; I81-I97 HydrophobicContact CD1-CG1 3.43Å; I81-I97 VanDerWaalsContact CD1-CG1 3.43Å
82F88.9Confident85.8Confident22 Ų2266.8 Ų66.810%0.09633%0.33CS..G310 helixtrans-102.817.1178.8-56.1-59.2000112.7F59 I66 Y67 N79 A80 F94 I97 L195 F196F59-F82 AromaticContact CD1-CE2 3.87Å; F59-F82 HydrophobicContact CD1-CE2 3.87Å; F59-F82 HydrophobicContact CD1-CZ 4.15Å; F59-F82 HydrophobicContact CE1-CD2 4.49Å; F59-F82 HydrophobicContact CE1-CE1 4.26Å; F59-F82 AromaticContact CE1-CE2 3.9Å; F59-F82 HydrophobicContact CE1-CE2 3.9Å; F59-F82 AromaticContact CE1-CZ 3.78Å; F59-F82 HydrophobicContact CE1-CZ 3.78Å; I66-F82 HydrophobicContact CG2-CE2 4.24Å; I66-F82 HydrophobicContact CG2-CZ 3.93Å; Y67-F82 HydrophobicContact CD1-CE2 4.25Å; Y67-F82 AromaticContact CE1-CD2 3.55Å; Y67-F82 HydrophobicContact CE1-CD2 3.55Å; Y67-F82 AromaticContact CE1-CE2 3.48Å; Y67-F82 HydrophobicContact CE1-CE2 3.48Å; Y67-F82 VanDerWaalsContact CE1-CE2 3.48Å; Y67-F82 AromaticContact CZ-CD2 3.91Å; Y67-F82 WeakPolarHBondContact OH-CD2 3.4Å; N79-F82 PolarHBondContact O-N 3.47Å; A80-F82 PolarHBondContact O-N 3.46Å; A80-F82 VanDerWaalsContact O-N 3.11Å; F82-F94 HydrophobicContact CD1-CD2 4.35Å; F82-I97 HydrophobicContact CE1-CG2 4.32Å; F82-I97 HydrophobicContact CZ-CG2 4.16Å; F82-L195 CarbonylContact O-C 3.57Å; F82-L195 WeakPolarHBondContact O-CA 3.26Å; F82-L195 WeakPolarHBondContact O-CB 3.45Å; F82-F196 HydrophobicContact CB-CD2 3.99Å; F82-F196 HydrophobicContact CB-CE2 4.27Å; F82-F196 WeakPolarHBondContact O-CD2 3.48Å; F82-F196 PolarHBondContact O-N 3.39Å
83T93Very high86.7Confident37 Ų3761.8 Ų61.823%0.22730%0.303CS..BIsolated β-bridgetrans-99.5143.1173.667.90000111.2A80 D85 Y86 F87 F196A80-T83 WeakPolarHBondContact O-CB 3.2Å; A80-T83 PolarHBondContact O-N 3.37Å; A80-T83 PolarHBondContact O-OG1 3.06Å; T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 PolarHBondContact O-N 2.88Å; T83-Y86 PolarHBondContact O-N 3.49Å; T83-Y86 WeakPolarHBondContact OG1-CB 3.33Å; T83-Y86 PolarHBondContact OG1-N 3.38Å; T83-F87 WeakPolarHBondContact O-CB 3.47Å; T83-F87 PolarHBondContact O-N 2.78Å; T83-F196 WeakPolarHBondContact CA-O 3.31Å; T83-F196 HydrophobicContact CG2-CB 4Å
84I94.6Very high87.6Confident9 Ų960.6 Ų60.65%0.04630%0.298CS..Hα-helixtrans-64.8-34.2179.2-173.155.5000112.6F87 R88 K190 L195 F196 E198I84-F87 HydrophobicContact CD1-CD1 4.28Å; I84-F87 PolarHBondContact O-N 3.39Å; I84-R88 HydrophobicContact CD1-CG 4.24Å; I84-R88 HydrophobicContact CG1-CG 4.42Å; I84-R88 WeakPolarHBondContact O-CB 3.5Å; I84-R88 VanDerWaalsContact O-CG 3.31Å; I84-R88 WeakPolarHBondContact O-CG 3.31Å; I84-R88 PolarHBondContact O-N 3.41Å; I84-K190 HydrophobicContact CD1-CD 4.11Å; I84-L195 HydrophobicContact CB-CB 4.29Å; I84-L195 HydrophobicContact CD1-CD1 4.26Å; I84-F196 WeakPolarHBondContact CG2-O 3.22Å; I84-F196 PolarHBondContact N-O 3.13Å; I84-E198 HydrophobicContact CB-CG 3.76Å; I84-E198 HydrophobicContact CD1-CG 4.26Å; I84-E198 WeakPolarHBondContact CD1-OE1 3.25Å; I84-E198 HydrophobicContact CG1-CG 3.89Å; I84-E198 HydrophobicContact CG2-CG 4.16Å
85D93.9Very high88.5Confident117 Ų11753.5 Ų53.563%0.62626%0.26SS*.Hα-helixtrans-67.4-43.4179.5-68.8-24.8000111.5T83 R89T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 PolarHBondContact O-N 2.88Å; D85-R89 PolarHBondContact O-N 2.92Å
86Y92.8Very high89.2Confident20 Ų2053.9 Ų53.98%0.07826%0.261CS..Hα-helixtrans-63.5-46.6172.6-171-79.3000110.9L75 P76 A80 T83 R88 R89 D90 P93L75-Y86 HydrophobicContact CD2-CE1 4.06Å; L75-Y86 HydrophobicContact CD2-CE2 3.75Å; L75-Y86 VanDerWaalsContact CD2-CZ 3.46Å; L75-Y86 WeakPolarHBondContact CD2-OH 3.3Å; P76-Y86 HydrophobicContact CG-CD2 4.4Å; P76-Y86 HydrophobicContact CG-CE2 4.45Å; A80-Y86 HydrophobicContact CB-CD2 3.92Å; A80-Y86 HydrophobicContact CB-CE2 4.48Å; A80-Y86 HydrophobicContact CB-CG 4.43Å; A80-Y86 WeakPolarHBondContact O-CB 3.36Å; T83-Y86 PolarHBondContact O-N 3.49Å; T83-Y86 WeakPolarHBondContact OG1-CB 3.33Å; T83-Y86 PolarHBondContact OG1-N 3.38Å; Y86-R88 VanDerWaalsContact C-N 3.29Å; Y86-R88 PolarHBondContact O-N 3.23Å; Y86-R89 WeakPolarHBondContact O-CB 3.33Å; Y86-R89 PolarHBondContact O-N 2.91Å; Y86-D90 HydrophobicContact CE1-CB 4.39Å; Y86-D90 WeakPolarHBondContact CE1-O 3.38Å; Y86-D90 PolarHBondContact O-N 3.32Å; Y86-P93 HydrophobicContact CE1-CB 4.22Å; Y86-P93 HydrophobicContact CE1-CG 3.87Å
87F94.7Very high89.8Confident2 Ų250 Ų501%0.00924%0.235CC..Hα-helixtrans-58.1-40.5-179.3180-88.9000112.5T83 I84 R89 D90 P91 F94 F95 I159 V188 K190 L195T83-F87 WeakPolarHBondContact O-CB 3.47Å; T83-F87 PolarHBondContact O-N 2.78Å; I84-F87 HydrophobicContact CD1-CD1 4.28Å; I84-F87 PolarHBondContact O-N 3.39Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-R89 PolarHBondContact O-N 2.86Å; F87-D90 CarbonylContact O-C 3.6Å; F87-P91 HydrophobicContact CD2-CB 3.87Å; F87-P91 HydrophobicContact CE1-CB 4.25Å; F87-P91 HydrophobicContact CE2-CB 3.56Å; F87-P91 HydrophobicContact CG-CB 4.33Å; F87-P91 HydrophobicContact CZ-CB 3.76Å; F87-P91 WeakPolarHBondContact O-CB 3.49Å; F87-P91 WeakPolarHBondContact O-CD 3.27Å; F87-F94 HydrophobicContact CD2-CB 3.85Å; F87-F94 AromaticContact CD2-CD1 3.97Å; F87-F94 HydrophobicContact CD2-CD1 3.97Å; F87-F94 AromaticContact CD2-CG 3.85Å; F87-F94 HydrophobicContact CD2-CG 3.85Å; F87-F94 HydrophobicContact CE2-CB 4.19Å; F87-F94 AromaticContact CE2-CD1 3.56Å; F87-F94 HydrophobicContact CE2-CD1 3.56Å; F87-F94 HydrophobicContact CE2-CE1 4.17Å; F87-F94 AromaticContact CE2-CG 3.94Å; F87-F94 HydrophobicContact CE2-CG 3.94Å; F87-F95 HydrophobicContact CE2-CD2 4.44Å; F87-F95 AromaticContact CE2-CE2 3.73Å; F87-F95 HydrophobicContact CE2-CE2 3.73Å; F87-F95 AromaticContact CE2-CZ 3.89Å; F87-F95 HydrophobicContact CE2-CZ 3.89Å; F87-F95 AromaticContact CZ-CE2 3.8Å; F87-F95 HydrophobicContact CZ-CE2 3.8Å; F87-F95 AromaticContact CZ-CZ 3.83Å; F87-F95 HydrophobicContact CZ-CZ 3.83Å; F87-I159 HydrophobicContact CE1-CG2 4.36Å; F87-V188 HydrophobicContact CE1-CG1 3.99Å; F87-V188 HydrophobicContact CZ-CG1 3.78Å; F87-K190 HydrophobicContact CD1-CD 3.79Å; F87-K190 HydrophobicContact CD1-CG 4.22Å; F87-K190 HydrophobicContact CE1-CB 3.77Å; F87-K190 HydrophobicContact CE1-CD 3.59Å; F87-K190 HydrophobicContact CE1-CG 3.54Å; F87-K190 HydrophobicContact CE2-CG 4.12Å; F87-K190 HydrophobicContact CG-CD 4.39Å; F87-K190 HydrophobicContact CZ-CB 3.83Å; F87-K190 HydrophobicContact CZ-CD 4.02Å; F87-K190 HydrophobicContact CZ-CG 3.49Å; F87-K190 VanDerWaalsContact CZ-CG 3.49Å; F87-L195 HydrophobicContact CB-CD1 3.54Å; F87-L195 HydrophobicContact CD1-CD1 4.35Å; F87-L195 HydrophobicContact CD2-CD1 3.97Å; F87-L195 HydrophobicContact CG-CD1 3.69Å
88R94.2Very high90.4Very high163 Ų16347 Ų4762%0.61522%0.218SC*.Hα-helixtrans-66.3-32176.5-76.1174.1175.7168.11.2113I84 Y86I84-R88 HydrophobicContact CD1-CG 4.24Å; I84-R88 HydrophobicContact CG1-CG 4.42Å; I84-R88 WeakPolarHBondContact O-CB 3.5Å; I84-R88 VanDerWaalsContact O-CG 3.31Å; I84-R88 WeakPolarHBondContact O-CG 3.31Å; I84-R88 PolarHBondContact O-N 3.41Å; Y86-R88 VanDerWaalsContact C-N 3.29Å; Y86-R88 PolarHBondContact O-N 3.23Å
89R93.1Very high91.2Very high174 Ų17447.1 Ų47.166%0.65721%0.21SC*.Hα-helixtrans-78-49.1177-177.8-177.468.5-163.94.9111.8D85 Y86 F87D85-R89 PolarHBondContact O-N 2.92Å; Y86-R89 WeakPolarHBondContact O-CB 3.33Å; Y86-R89 PolarHBondContact O-N 2.91Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-R89 PolarHBondContact O-N 2.86Å
90D92.8Very high91.5Very high27 Ų2747.9 Ų47.914%0.14421%0.207CC..  trans-147.6102.4178.6-174.13.7000111Y86 F87 R92Y86-D90 HydrophobicContact CE1-CB 4.39Å; Y86-D90 WeakPolarHBondContact CE1-O 3.38Å; Y86-D90 PolarHBondContact O-N 3.32Å; F87-D90 CarbonylContact O-C 3.6Å; D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 VanDerWaalsContact CG-NH2 3.34Å; D90-R92 WeakPolarHBondContact OD1-CB 3.31Å; D90-R92 WeakPolarHBondContact OD1-CG 3.5Å; D90-R92 IonicContact OD1-CZ 3.61Å; D90-R92 PolarHBondContact OD1-N 3.22Å; D90-R92 IonicContact OD1-NE 3.66Å; D90-R92 PolarHBondContact OD1-NE 3.47Å; D90-R92 IonicContact OD1-NH2 3.17Å; D90-R92 IonicContact OD2-CZ 2.86Å; D90-R92 IonicContact OD2-NE 3.52Å; D90-R92 PolarHBondContact OD2-NE 3.24Å; D90-R92 IonicContact OD2-NH2 3.57Å; D90-R92 PolarHBondContact OD2-NH2 3.2Å
91P94.5Very high91.5Very high18 Ų1849.7 Ų49.712%0.11722%0.216CC..  trans-82.4-9.7-179.934.3-37.6000113.2F87 F94 F95 V179 V188F87-P91 HydrophobicContact CD2-CB 3.87Å; F87-P91 HydrophobicContact CE1-CB 4.25Å; F87-P91 HydrophobicContact CE2-CB 3.56Å; F87-P91 HydrophobicContact CG-CB 4.33Å; F87-P91 HydrophobicContact CZ-CB 3.76Å; F87-P91 WeakPolarHBondContact O-CB 3.49Å; F87-P91 WeakPolarHBondContact O-CD 3.27Å; P91-F94 PolarHBondContact O-N 3.02Å; P91-F95 HydrophobicContact CB-CD2 3.98Å; P91-F95 HydrophobicContact CB-CE2 3.76Å; P91-F95 WeakPolarHBondContact O-CD2 3.31Å; P91-F95 PolarHBondContact O-N 3.09Å; P91-V179 HydrophobicContact CG-CG1 3.93Å; P91-V179 HydrophobicContact CG-CG2 4.2Å; P91-V188 HydrophobicContact CB-CG1 4.38Å; P91-V188 HydrophobicContact CG-CG1 4.41Å; P91-V188 HydrophobicContact CG-CG2 4.13Å
92R92.8Very high91.6Very high165 Ų16552.9 Ų52.962%0.62323%0.228SC*.Hα-helixtrans-60.2-44-172.2-60.8168-67.21783.6112.5D90 F94 F95 E96 V179D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 VanDerWaalsContact CG-NH2 3.34Å; D90-R92 WeakPolarHBondContact OD1-CB 3.31Å; D90-R92 WeakPolarHBondContact OD1-CG 3.5Å; D90-R92 IonicContact OD1-CZ 3.61Å; D90-R92 PolarHBondContact OD1-N 3.22Å; D90-R92 IonicContact OD1-NE 3.66Å; D90-R92 PolarHBondContact OD1-NE 3.47Å; D90-R92 IonicContact OD1-NH2 3.17Å; D90-R92 IonicContact OD2-CZ 2.86Å; D90-R92 IonicContact OD2-NE 3.52Å; D90-R92 PolarHBondContact OD2-NE 3.24Å; D90-R92 IonicContact OD2-NH2 3.57Å; D90-R92 PolarHBondContact OD2-NH2 3.2Å; R92-F94 PolarHBondContact O-N 2.97Å; R92-F95 PolarHBondContact O-N 3.36Å; R92-E96 PolarHBondContact O-N 2.8Å; R92-V179 HydrophobicContact CG-CG2 3.78Å
93P90.3Very high91.7Very high6 Ų656.9 Ų56.94%0.03924%0.243CC..Hα-helixtrans-59-44.9177-29.440.7000113F73 I81 Y86 F95 E96 I97F73-P93 HydrophobicContact CB-CB 4.37Å; F73-P93 HydrophobicContact CD1-CB 3.48Å; F73-P93 VanDerWaalsContact CD1-CB 3.48Å; F73-P93 HydrophobicContact CD1-CG 3.75Å; F73-P93 HydrophobicContact CE1-CB 3.87Å; F73-P93 HydrophobicContact CE1-CG 4.36Å; F73-P93 HydrophobicContact CG-CB 3.94Å; F73-P93 HydrophobicContact CG-CG 4.43Å; I81-P93 HydrophobicContact CD1-CB 3.59Å; I81-P93 HydrophobicContact CG1-CB 3.89Å; Y86-P93 HydrophobicContact CE1-CB 4.22Å; Y86-P93 HydrophobicContact CE1-CG 3.87Å; P93-F95 VanDerWaalsContact C-N 3.32Å; P93-F95 PolarHBondContact O-N 2.98Å; P93-E96 PolarHBondContact O-N 3.43Å; P93-I97 PolarHBondContact O-N 2.78Å
94F92.9Very high91.4Very high9 Ų958.7 Ų58.74%0.03926%0.255CS..Hα-helixtrans-56.8-46.6177.3170.4-89.1000111.5I81 F82 F87 P91 R92 I97 A98 F153 P191 V193 L195I81-F94 HydrophobicContact CG1-CB 4.46Å; F82-F94 HydrophobicContact CD1-CD2 4.35Å; F87-F94 HydrophobicContact CD2-CB 3.85Å; F87-F94 AromaticContact CD2-CD1 3.97Å; F87-F94 HydrophobicContact CD2-CD1 3.97Å; F87-F94 AromaticContact CD2-CG 3.85Å; F87-F94 HydrophobicContact CD2-CG 3.85Å; F87-F94 HydrophobicContact CE2-CB 4.19Å; F87-F94 AromaticContact CE2-CD1 3.56Å; F87-F94 HydrophobicContact CE2-CD1 3.56Å; F87-F94 HydrophobicContact CE2-CE1 4.17Å; F87-F94 AromaticContact CE2-CG 3.94Å; F87-F94 HydrophobicContact CE2-CG 3.94Å; P91-F94 PolarHBondContact O-N 3.02Å; R92-F94 PolarHBondContact O-N 2.97Å; F94-I97 PolarHBondContact O-N 2.76Å; F94-A98 WeakPolarHBondContact O-CB 3.45Å; F94-A98 PolarHBondContact O-N 3.11Å; F94-F153 HydrophobicContact CE1-CE1 4.49Å; F94-F153 HydrophobicContact CZ-CE1 4.24Å; F94-F153 AromaticContact CZ-CZ 3.96Å; F94-F153 HydrophobicContact CZ-CZ 3.96Å; F94-P191 HydrophobicContact CE1-CG 4.11Å; F94-P191 HydrophobicContact CZ-CG 4.47Å; F94-V193 HydrophobicContact CE2-CG2 4.11Å; F94-V193 HydrophobicContact CZ-CG2 3.76Å; F94-L195 HydrophobicContact CD2-CD2 4.07Å; F94-L195 HydrophobicContact CE2-CD2 3.77Å
95F93.8Very high91.2Very high8 Ų863.2 Ų63.24%0.03528%0.276CS..Hα-helixtrans-70.3-32.8-179.5-72.3-59.4000113.2F87 P91 R92 P93 A98 R99 I174 V179 P180 V188 V189 P191F87-F95 HydrophobicContact CE2-CD2 4.44Å; F87-F95 AromaticContact CE2-CE2 3.73Å; F87-F95 HydrophobicContact CE2-CE2 3.73Å; F87-F95 AromaticContact CE2-CZ 3.89Å; F87-F95 HydrophobicContact CE2-CZ 3.89Å; F87-F95 AromaticContact CZ-CE2 3.8Å; F87-F95 HydrophobicContact CZ-CE2 3.8Å; F87-F95 AromaticContact CZ-CZ 3.83Å; F87-F95 HydrophobicContact CZ-CZ 3.83Å; P91-F95 HydrophobicContact CB-CD2 3.98Å; P91-F95 HydrophobicContact CB-CE2 3.76Å; P91-F95 WeakPolarHBondContact O-CD2 3.31Å; P91-F95 PolarHBondContact O-N 3.09Å; R92-F95 PolarHBondContact O-N 3.36Å; P93-F95 VanDerWaalsContact C-N 3.32Å; P93-F95 PolarHBondContact O-N 2.98Å; F95-A98 PolarHBondContact O-N 3.13Å; F95-R99 WeakPolarHBondContact O-CB 3.17Å; F95-R99 PolarHBondContact O-N 3.19Å; F95-I174 HydrophobicContact CD1-CD1 3.74Å; F95-I174 HydrophobicContact CD1-CG1 3.66Å; F95-I174 HydrophobicContact CE1-CD1 4.07Å; F95-I174 HydrophobicContact CE1-CG1 4.26Å; F95-I174 HydrophobicContact CG-CG1 4.44Å; F95-V179 HydrophobicContact CD2-CB 4.35Å; F95-V179 HydrophobicContact CD2-CG1 4.04Å; F95-V179 HydrophobicContact CD2-CG2 4.07Å; F95-V179 HydrophobicContact CE2-CG1 3.76Å; F95-P180 HydrophobicContact CD1-CG 4.32Å; F95-P180 HydrophobicContact CE1-CG 3.84Å; F95-P180 HydrophobicContact CZ-CG 4.04Å; F95-V188 HydrophobicContact CE2-CG1 4.09Å; F95-V188 HydrophobicContact CZ-CG1 4.4Å; F95-V189 WeakPolarHBondContact CZ-O 3.4Å; F95-P191 HydrophobicContact CE1-CG 4.06Å
96E90.4Very high91.3Very high39 Ų3958.2 Ų58.218%0.18225%0.251CS..Hα-helixtrans-66.1-40.5172.2175.259.2-16800111.3F73 R92 P93 R99 R100F73-E96 HydrophobicContact CE1-CB 3.99Å; F73-E96 HydrophobicContact CE1-CG 3.94Å; F73-E96 HydrophobicContact CZ-CB 3.86Å; F73-E96 HydrophobicContact CZ-CG 3.5Å; F73-E96 VanDerWaalsContact CZ-CG 3.5Å; R92-E96 PolarHBondContact O-N 2.8Å; P93-E96 PolarHBondContact O-N 3.43Å; E96-R99 WeakPolarHBondContact O-CB 3.46Å; E96-R99 PolarHBondContact O-N 3.15Å; E96-R99 IonicContact OE1-CZ 3.22Å; E96-R99 IonicContact OE1-NE 3.17Å; E96-R99 IonicContact OE1-NH2 3.98Å; E96-R99 PolarHBondContact OE1-NH2 2.8Å; E96-R99 IonicContact OE2-CZ 2.87Å; E96-R99 IonicContact OE2-NE 2.64Å; E96-R99 PolarHBondContact OE2-NE 2.78Å; E96-R99 IonicContact OE2-NH2 3.14Å; E96-R99 PolarHBondContact OE2-NH2 2.86Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 3.04Å; E96-R100 IonicContact OE1-CZ 3.75Å; E96-R100 IonicContact OE1-NE 3.99Å; E96-R100 PolarHBondContact OE1-NE 3.31Å; E96-R100 IonicContact OE1-NH2 2.73Å; E96-R100 PolarHBondContact OE1-NH2 3.23Å
97I88.2Confident91.5Very high9 Ų959.1 Ų59.15%0.04626%0.255CS..Hα-helixtrans-65.3-45.1173.1-68.9-52.6000111.5I66 L70 F73 I81 F82 P93 F94 R99 R100 L101I66-I97 HydrophobicContact CG2-CG2 4.14Å; L70-I97 HydrophobicContact CD2-CD1 3.42Å; L70-I97 VanDerWaalsContact CD2-CD1 3.42Å; L70-I97 HydrophobicContact CD2-CG1 3.77Å; F73-I97 HydrophobicContact CE2-CD1 3.69Å; F73-I97 HydrophobicContact CE2-CG1 4.07Å; F73-I97 HydrophobicContact CZ-CD1 4.2Å; F73-I97 HydrophobicContact CZ-CG1 4.38Å; I81-I97 HydrophobicContact CD1-CB 4.28Å; I81-I97 HydrophobicContact CD1-CG1 3.43Å; I81-I97 VanDerWaalsContact CD1-CG1 3.43Å; F82-I97 HydrophobicContact CE1-CG2 4.32Å; F82-I97 HydrophobicContact CZ-CG2 4.16Å; P93-I97 PolarHBondContact O-N 2.78Å; F94-I97 PolarHBondContact O-N 2.76Å; I97-R99 PolarHBondContact O-N 3.15Å; I97-R100 PolarHBondContact O-N 3.24Å; I97-R100 VanDerWaalsContact O-N 3.1Å; I97-L101 HydrophobicContact CG2-CD1 3.54Å; I97-L101 HydrophobicContact CG2-CG 4.09Å; I97-L101 WeakPolarHBondContact O-CB 3.4Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.92Å
98A91.2Very high91.7Very high14 Ų1459 Ų5912%0.11626%0.255CS..Hα-helixtrans-55.7-41.6174.500000111.5F94 F95 L101 Y102 F153F94-A98 WeakPolarHBondContact O-CB 3.45Å; F94-A98 PolarHBondContact O-N 3.11Å; F95-A98 PolarHBondContact O-N 3.13Å; A98-L101 PolarHBondContact O-N 2.78Å; A98-Y102 PolarHBondContact O-N 2.74Å; A98-F153 HydrophobicContact CB-CE1 3.96Å; A98-F153 HydrophobicContact CB-CZ 3.99Å
99R90.6Very high91.9Very high68 Ų6851.4 Ų51.426%0.25723%0.226SC..Hα-helixtrans-63.4-46174.5-166.3-169.266.371.72.9112.3F95 E96 I97 L101 Y102 I174 L175F95-R99 WeakPolarHBondContact O-CB 3.17Å; F95-R99 PolarHBondContact O-N 3.19Å; E96-R99 WeakPolarHBondContact O-CB 3.46Å; E96-R99 PolarHBondContact O-N 3.15Å; E96-R99 IonicContact OE1-CZ 3.22Å; E96-R99 IonicContact OE1-NE 3.17Å; E96-R99 IonicContact OE1-NH2 3.98Å; E96-R99 PolarHBondContact OE1-NH2 2.8Å; E96-R99 IonicContact OE2-CZ 2.87Å; E96-R99 IonicContact OE2-NE 2.64Å; E96-R99 PolarHBondContact OE2-NE 2.78Å; E96-R99 IonicContact OE2-NH2 3.14Å; E96-R99 PolarHBondContact OE2-NH2 2.86Å; I97-R99 PolarHBondContact O-N 3.15Å; R99-L101 VanDerWaalsContact C-N 3.27Å; R99-L101 PolarHBondContact O-N 2.83Å; R99-Y102 PolarHBondContact O-N 2.84Å; R99-I174 HydrophobicContact CB-CG2 3.63Å; R99-I174 WeakPolarHBondContact CD-O 3.37Å; R99-I174 HydrophobicContact CG-CG2 4.15Å; R99-L175 HydrophobicContact CG-CD2 4.33Å
100R86.5Confident92.1Very high92 Ų9244.6 Ų44.635%0.34720%0.203SC..Hα-helixtrans-66.4-28.6179-72.3-178.9-171.9-168.60.5112.5D72 E96 I97 R103D72-R100 IonicContact OD2-CZ 3.15Å; D72-R100 IonicContact OD2-NH1 3.42Å; D72-R100 PolarHBondContact OD2-NH1 2.86Å; D72-R100 IonicContact OD2-NH2 3.01Å; D72-R100 PolarHBondContact OD2-NH2 3.19Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 3.04Å; E96-R100 IonicContact OE1-CZ 3.75Å; E96-R100 IonicContact OE1-NE 3.99Å; E96-R100 PolarHBondContact OE1-NE 3.31Å; E96-R100 IonicContact OE1-NH2 2.73Å; E96-R100 PolarHBondContact OE1-NH2 3.23Å; I97-R100 PolarHBondContact O-N 3.24Å; I97-R100 VanDerWaalsContact O-N 3.1Å; R100-R103 PolarHBondContact O-NH1 3.32Å; R100-R103 PolarHBondContact O-NH2 3.43Å
101L86.3Confident92.4Very high45 Ų4543.3 Ų43.324%0.23620%0.196CC..Hα-helixtrans-89-11.7178.6-66.9176.8000113.7P57 I66 I97 A98 R99 R103P57-L101 HydrophobicContact CG-CD2 3.43Å; P57-L101 VanDerWaalsContact CG-CD2 3.43Å; I66-L101 HydrophobicContact CD1-CD1 3.53Å; I66-L101 HydrophobicContact CD1-CD2 3.96Å; I66-L101 HydrophobicContact CD1-CG 4.38Å; I66-L101 HydrophobicContact CG1-CD1 4.16Å; I66-L101 HydrophobicContact CG1-CD2 3.93Å; I97-L101 HydrophobicContact CG2-CD1 3.54Å; I97-L101 HydrophobicContact CG2-CG 4.09Å; I97-L101 WeakPolarHBondContact O-CB 3.4Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.92Å; A98-L101 PolarHBondContact O-N 2.78Å; R99-L101 VanDerWaalsContact C-N 3.27Å; R99-L101 PolarHBondContact O-N 2.83Å; L101-R103 PolarHBondContact O-N 3.19Å
102Y89.2Confident92.6Very high66 Ų6642.5 Ų42.526%0.25919%0.19SC..  trans-62.4122.5177.9-173.5-120.1000110.7A98 R99 P104 F167 L171 L175A98-Y102 PolarHBondContact O-N 2.74Å; R99-Y102 PolarHBondContact O-N 2.84Å; Y102-P104 HydrophobicContact CD1-CG 4.36Å; Y102-P104 HydrophobicContact CE1-CB 3.67Å; Y102-P104 HydrophobicContact CE1-CG 3.88Å; Y102-F167 AromaticContact CE2-CZ 3.97Å; Y102-F167 HydrophobicContact CE2-CZ 3.97Å; Y102-L171 HydrophobicContact CD1-CD1 3.96Å; Y102-L171 HydrophobicContact CD2-CD1 3.93Å; Y102-L171 HydrophobicContact CE1-CD1 3.71Å; Y102-L171 HydrophobicContact CE1-CD2 4.24Å; Y102-L171 HydrophobicContact CE2-CD1 3.73Å; Y102-L171 HydrophobicContact CE2-CD2 4.34Å; Y102-L171 HydrophobicContact CG-CD1 4.05Å; Y102-L171 WeakPolarHBondContact OH-CD2 3.44Å; Y102-L175 HydrophobicContact CD1-CD2 3.89Å; Y102-L175 HydrophobicContact CE1-CD1 4.35Å; Y102-L175 HydrophobicContact CE1-CD2 4.41Å
103R90.5Very high92.9Very high107 Ų10734.6 Ų34.640%0.40416%0.161SC..  trans-127.686.1177-64.1-67.6177.6-83.4-3.3107.9G55 I56 R100 L101 E105 A106G55-R103 PolarHBondContact O-NE 2.96Å; I56-R103 HydrophobicContact CG1-CB 4.45Å; I56-R103 HydrophobicContact CG1-CG 4.12Å; R100-R103 PolarHBondContact O-NH1 3.32Å; R100-R103 PolarHBondContact O-NH2 3.43Å; L101-R103 PolarHBondContact O-N 3.19Å; R103-E105 PolarHBondContact O-N 3.41Å; R103-E105 VanDerWaalsContact O-N 3.09Å; R103-A106 HydrophobicContact CB-CB 3.62Å; R103-A106 WeakPolarHBondContact O-CB 3.39Å; R103-A106 PolarHBondContact O-N 3.19Å
104P87.3Confident93.3Very high74 Ų7434.3 Ų34.348%0.48116%0.159SC..THydrogen-bonded Turntrans-60.8-23.6-173.321.2-31.4000113.7Y102Y102-P104 HydrophobicContact CD1-CG 4.36Å; Y102-P104 HydrophobicContact CE1-CB 3.67Å; Y102-P104 HydrophobicContact CE1-CG 3.88Å
105E90.4Very high93.6Very high105 Ų10534 Ų3449%0.49116%0.158SC..THydrogen-bonded Turntrans-107.39-178.6-55.4-173.112600112.9R103 K107 F309 K313R103-E105 PolarHBondContact O-N 3.41Å; R103-E105 VanDerWaalsContact O-N 3.09Å; E105-K107 PolarHBondContact O-N 2.86Å; E105-F309 HydrophobicContact CB-CD2 4.38Å; E105-F309 HydrophobicContact CB-CE2 4.43Å; E105-K313 WeakPolarHBondContact OE1-CE 3.3Å; E105-K313 IonicContact OE1-NZ 2.78Å; E105-K313 PolarHBondContact OE1-NZ 2.75Å
106A94.7Very high93.8Very high11 Ų1136.7 Ų36.79%0.09117%0.168CC..  trans-61.213717400000109.6A54 I56 R103 L135A54-A106 HydrophobicContact CB-CB 4.46Å; I56-A106 HydrophobicContact CD1-CB 4Å; I56-A106 HydrophobicContact CG1-CB 4.29Å; R103-A106 HydrophobicContact CB-CB 3.62Å; R103-A106 WeakPolarHBondContact O-CB 3.39Å; R103-A106 PolarHBondContact O-N 3.19Å; A106-L135 HydrophobicContact CB-CD2 4.11Å
107K97.4Very high94.2Very high39 Ų3935.4 Ų35.417%0.1716%0.162CC..  trans-119.8153.8-178.6-63.8-173.5-172.6-179.90110.6A54 E105 T109 D302 L305 N306 F309A54-K107 VanDerWaalsContact CB-O 3.27Å; A54-K107 WeakPolarHBondContact CB-O 3.27Å; E105-K107 PolarHBondContact O-N 2.86Å; K107-T109 PolarHBondContact O-N 3.35Å; K107-D302 HydrophobicContact CD-CB 4.27Å; K107-D302 WeakPolarHBondContact CD-OD1 3.35Å; K107-D302 PolarHBondContact NZ-O 2.97Å; K107-L305 HydrophobicContact CB-CD1 4.19Å; K107-L305 HydrophobicContact CD-CB 4.37Å; K107-L305 HydrophobicContact CD-CD1 4.42Å; K107-L305 HydrophobicContact CG-CD1 4.02Å; K107-N306 PolarHBondContact NZ-ND2 2.79Å; K107-N306 PolarHBondContact NZ-OD1 2.76Å; K107-F309 HydrophobicContact CG-CE2 3.92Å
108P98.2Very high94.7Very high0 Ų035 Ų350%016%0.16CC..  trans-51.3134171.2-23.533000111.4H112 L135 L138 K298 T301 L305P108-H112 HydrophobicContact CB-CB 3.62Å; P108-L135 WeakPolarHBondContact CG-O 3.46Å; P108-L138 HydrophobicContact CG-CB 3.76Å; P108-K298 WeakPolarHBondContact O-CE 3.15Å; P108-K298 PolarHBondContact O-NZ 3.39Å; P108-T301 HydrophobicContact CB-CG2 4.44Å; P108-T301 HydrophobicContact CG-CG2 3.96Å; P108-L305 HydrophobicContact CG-CD1 4.13Å
109T98.7Very high95.1Very high4 Ų436.5 Ų36.53%0.02516%0.164CC..  trans-78.1177.1174.765.90000111.3V50 A53 A54 K107 A111 H112 C113 D278V50-T109 WeakPolarHBondContact O-CB 3.41Å; V50-T109 WeakPolarHBondContact O-CG2 3.17Å; V50-T109 PolarHBondContact O-OG1 3.15Å; A53-T109 HydrophobicContact CB-CG2 3.86Å; A54-T109 HydrophobicContact CB-CG2 3.78Å; K107-T109 PolarHBondContact O-N 3.35Å; T109-A111 PolarHBondContact O-N 3.22Å; T109-A111 PolarHBondContact OG1-N 3.34Å; T109-H112 PolarHBondContact N-ND1 3.44Å; T109-H112 VanDerWaalsContact N-ND1 3.19Å; T109-H112 PolarHBondContact O-N 3.36Å; T109-H112 PolarHBondContact OG1-ND1 2.78Å; T109-C113 PolarHBondContact O-N 3.26Å; T109-D278 WeakPolarHBondContact CB-OD1 3.45Å; T109-D278 PolarHBondContact OG1-OD1 3.27Å
110L98.7Very high95.5Very high30 Ų3037 Ų3716%0.15717%0.172CC..Hα-helixtrans-61.1-34.1174-69.3167000111.2H112 C113 F114 D278 V281 V282 L294 L295 K298L110-H112 PolarHBondContact O-N 3.37Å; L110-C113 CarbonylContact O-C 3.6Å; L110-C113 PolarHBondContact O-N 3.07Å; L110-F114 WeakPolarHBondContact O-CB 3.36Å; L110-F114 PolarHBondContact O-N 3.05Å; L110-D278 HydrophobicContact CB-CB 4.12Å; L110-D278 HydrophobicContact CD1-CB 4.36Å; L110-D278 PolarHBondContact N-OD1 3.44Å; L110-D278 PolarHBondContact N-OD2 3.15Å; L110-V281 HydrophobicContact CB-CG2 4.08Å; L110-V282 HydrophobicContact CD1-CG2 3.79Å; L110-L294 HydrophobicContact CD2-CD1 4.5Å; L110-L294 HydrophobicContact CD2-CD2 4.41Å; L110-L294 HydrophobicContact CD2-CG 4.12Å; L110-L295 HydrophobicContact CD2-CD2 4.08Å; L110-K298 HydrophobicContact CD2-CB 3.84Å; L110-K298 HydrophobicContact CD2-CD 4.25Å; L110-K298 HydrophobicContact CD2-CG 3.82Å
111A98.8Very high96Very high0 Ų036.2 Ų36.20%017%0.171CC..Hα-helixtrans-59.6-42.6174.600000112.8V50 T109 F114 I115 A277 D278 V281V50-A111 HydrophobicContact CB-CB 3.96Å; V50-A111 HydrophobicContact CG1-CB 4.15Å; T109-A111 PolarHBondContact O-N 3.22Å; T109-A111 PolarHBondContact OG1-N 3.34Å; A111-F114 PolarHBondContact O-N 3.42Å; A111-I115 WeakPolarHBondContact O-CD1 3.01Å; A111-I115 WeakPolarHBondContact O-CG1 3.26Å; A111-I115 PolarHBondContact O-N 3.18Å; A111-I115 VanDerWaalsContact O-N 3.15Å; A111-A277 HydrophobicContact CB-CB 3.99Å; A111-D278 WeakPolarHBondContact CB-OD1 3.18Å; A111-D278 PolarHBondContact N-OD1 3.32Å; A111-V281 HydrophobicContact CB-CG1 4.38Å; A111-V281 HydrophobicContact CB-CG2 4.46Å
112H98.8Very high96.6Very high1 Ų137 Ų371%0.00519%0.19CC..Hα-helixtrans-65.5-44.9175-63.389.4000111.5V50 P108 T109 L110 F114 I115 R116 L135V50-H112 PolarHBondContact O-CE1 3.27Å; P108-H112 HydrophobicContact CB-CB 3.62Å; T109-H112 PolarHBondContact N-ND1 3.44Å; T109-H112 VanDerWaalsContact N-ND1 3.19Å; T109-H112 PolarHBondContact O-N 3.36Å; T109-H112 PolarHBondContact OG1-ND1 2.78Å; L110-H112 PolarHBondContact O-N 3.37Å; H112-F114 VanDerWaalsContact C-N 3.28Å; H112-F114 PolarHBondContact O-N 2.54Å; H112-I115 PolarHBondContact O-N 3.11Å; H112-R116 PolarHBondContact O-N 2.85Å; H112-L135 WeakPolarHBondContact NE2-CB 3.28Å
113C98.7Very high97Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-62.5-34.2175.7-68.40000112.2T109 L110 R116 L117 L294 L297T109-C113 PolarHBondContact O-N 3.26Å; L110-C113 CarbonylContact O-C 3.6Å; L110-C113 PolarHBondContact O-N 3.07Å; C113-R116 PolarHBondContact O-N 2.9Å; C113-L117 WeakPolarHBondContact O-CB 3.48Å; C113-L117 PolarHBondContact O-N 2.95Å; C113-L294 HydrophobicContact CB-CD1 3.76Å; C113-L297 HydrophobicContact CB-CD2 4.25Å; C113-L297 HydrophobicContact CB-CG 4.37Å; C113-L297 VanDerWaalsContact O-CD2 3.23Å; C113-L297 WeakPolarHBondContact O-CD2 3.46Å
114F98.8Very high97.4Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-64.6-43174.3175.5-104.3000111.8L110 A111 H112 R116 L117 L118 I219 V281 I284 S285 L294L110-F114 WeakPolarHBondContact O-CB 3.36Å; L110-F114 PolarHBondContact O-N 3.05Å; A111-F114 PolarHBondContact O-N 3.42Å; H112-F114 VanDerWaalsContact C-N 3.28Å; H112-F114 PolarHBondContact O-N 2.54Å; F114-R116 VanDerWaalsContact C-N 3.3Å; F114-R116 PolarHBondContact O-N 2.8Å; F114-L117 CarbonylContact O-C 3.6Å; F114-L117 WeakPolarHBondContact O-CB 3.46Å; F114-L117 PolarHBondContact O-N 2.86Å; F114-L117 VanDerWaalsContact O-N 3.11Å; F114-L118 HydrophobicContact CD1-CD1 4.23Å; F114-L118 HydrophobicContact CD1-CG 4.38Å; F114-L118 HydrophobicContact CE1-CD1 3.72Å; F114-L118 HydrophobicContact CE1-CD2 4.25Å; F114-L118 HydrophobicContact CE1-CG 4Å; F114-L118 HydrophobicContact CE2-CD2 4.21Å; F114-L118 HydrophobicContact CE2-CG 4.48Å; F114-L118 HydrophobicContact CZ-CD1 4.16Å; F114-L118 HydrophobicContact CZ-CD2 3.82Å; F114-L118 HydrophobicContact CZ-CG 4.05Å; F114-L118 WeakPolarHBondContact O-CG 3.28Å; F114-L118 PolarHBondContact O-N 3.43Å; F114-I219 HydrophobicContact CE1-CD1 4.22Å; F114-V281 HydrophobicContact CB-CB 3.75Å; F114-V281 HydrophobicContact CB-CG1 3.92Å; F114-V281 HydrophobicContact CB-CG2 4.11Å; F114-V281 HydrophobicContact CD1-CB 4.07Å; F114-V281 HydrophobicContact CD1-CG1 3.59Å; F114-V281 HydrophobicContact CD2-CB 4.2Å; F114-V281 HydrophobicContact CE1-CG1 4.26Å; F114-V281 HydrophobicContact CG-CB 3.74Å; F114-V281 HydrophobicContact CG-CG1 3.79Å; F114-I284 HydrophobicContact CD2-CG2 4.47Å; F114-I284 HydrophobicContact CE1-CG2 4.4Å; F114-I284 HydrophobicContact CE2-CG2 3.69Å; F114-I284 HydrophobicContact CZ-CG2 3.65Å; F114-S285 WeakPolarHBondContact CD2-OG 3.23Å; F114-L294 HydrophobicContact CB-CD1 4.02Å
115I98.9Very high97.9Very high3 Ų327.9 Ų27.92%0.01515%0.149CC..Hα-helixtrans-61-42.1174.9-64.6152.4000110.8T44 V46 A111 H112 L117 L118 H119 L124 H127 L141 M221T44-I115 HydrophobicContact CG2-CG1 4.23Å; V46-I115 HydrophobicContact CG1-CD1 4.13Å; A111-I115 WeakPolarHBondContact O-CD1 3.01Å; A111-I115 WeakPolarHBondContact O-CG1 3.26Å; A111-I115 PolarHBondContact O-N 3.18Å; A111-I115 VanDerWaalsContact O-N 3.15Å; H112-I115 PolarHBondContact O-N 3.11Å; I115-L117 VanDerWaalsContact C-N 3.35Å; I115-L118 WeakPolarHBondContact O-CB 3.43Å; I115-L118 PolarHBondContact O-N 3.49Å; I115-H119 PolarHBondContact O-N 3.31Å; I115-L124 HydrophobicContact CG2-CD1 4.4Å; I115-L124 HydrophobicContact CG2-CD2 4.02Å; I115-H127 WeakPolarHBondContact CD1-CE1 3.26Å; I115-H127 HydrophobicContact CG2-CB 4.07Å; I115-L141 HydrophobicContact CG2-CD1 4.27Å; I115-L141 HydrophobicContact CG2-CD2 4.08Å; I115-M221 HydrophobicContact CD1-CE 3.73Å; I115-M221 HydrophobicContact CG1-CE 3.75Å
116R98.7Very high98.3Very high64 Ų6424.3 Ų24.324%0.24213%0.132CC..Hα-helixtrans-62.2-42.1172.9172.660.4-165.5-85.4-1.8111.6H112 C113 F114 L118 H119 D120 S139 G140 L297H112-R116 PolarHBondContact O-N 2.85Å; C113-R116 PolarHBondContact O-N 2.9Å; F114-R116 VanDerWaalsContact C-N 3.3Å; F114-R116 PolarHBondContact O-N 2.8Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.92Å; R116-H119 WeakPolarHBondContact O-CA 3.47Å; R116-H119 VanDerWaalsContact O-CB 3.28Å; R116-H119 WeakPolarHBondContact O-CB 3.38Å; R116-H119 PolarHBondContact O-N 3.3Å; R116-D120 IonicContact CZ-OD1 2.86Å; R116-D120 IonicContact CZ-OD2 2.66Å; R116-D120 IonicContact NE-OD1 3.43Å; R116-D120 PolarHBondContact NE-OD1 3.1Å; R116-D120 IonicContact NE-OD2 2.69Å; R116-D120 PolarHBondContact NE-OD2 3.03Å; R116-D120 IonicContact NH2-OD1 3Å; R116-D120 PolarHBondContact NH2-OD1 2.89Å; R116-D120 VanDerWaalsContact NH2-OD1 3.09Å; R116-D120 IonicContact NH2-OD2 3.57Å; R116-D120 PolarHBondContact O-N 2.94Å; R116-S139 PolarHBondContact NH1-O 2.84Å; R116-G140 PolarHBondContact NH1-O 3.36Å; R116-G140 VanDerWaalsContact NH1-O 3.1Å; R116-L297 HydrophobicContact CB-CD2 4.05Å; R116-L297 HydrophobicContact CG-CD1 4.3Å; R116-L297 HydrophobicContact CG-CD2 3.75Å
117L98.6Very high98.5Very high11 Ų1123.8 Ų23.86%0.05813%0.127CC..Hα-helixtrans-63.4-38.4177-173.959.7000111.9C113 F114 I115 H119 D120 K121 W290 D293 L294 L297C113-L117 WeakPolarHBondContact O-CB 3.48Å; C113-L117 PolarHBondContact O-N 2.95Å; F114-L117 CarbonylContact O-C 3.6Å; F114-L117 WeakPolarHBondContact O-CB 3.46Å; F114-L117 PolarHBondContact O-N 2.86Å; F114-L117 VanDerWaalsContact O-N 3.11Å; I115-L117 VanDerWaalsContact C-N 3.35Å; L117-H119 PolarHBondContact O-N 2.85Å; L117-D120 PolarHBondContact O-N 3.29Å; L117-K121 HydrophobicContact CD1-CG 4.28Å; L117-K121 HydrophobicContact CG-CG 4.28Å; L117-K121 WeakPolarHBondContact O-CB 3.32Å; L117-K121 WeakPolarHBondContact O-CG 3.49Å; L117-K121 PolarHBondContact O-N 3.24Å; L117-W290 HydrophobicContact CD2-CB 4.1Å; L117-W290 HydrophobicContact CD2-CE3 4.37Å; L117-D293 HydrophobicContact CD1-CB 4.05Å; L117-D293 HydrophobicContact CD2-CB 4.14Å; L117-L294 HydrophobicContact CD2-CB 4.03Å; L117-L297 HydrophobicContact CB-CD2 4.06Å
118L98.7Very high98.6Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-59.1-37.8171.5-67.6-179.7000111.9I42 T44 F114 I115 R116 G122 L123 L124 I219 W290I42-L118 HydrophobicContact CD1-CD1 4.42Å; I42-L118 HydrophobicContact CD1-CD2 3.89Å; I42-L118 HydrophobicContact CG2-CD1 4.08Å; T44-L118 HydrophobicContact CG2-CD1 3.9Å; F114-L118 HydrophobicContact CD1-CD1 4.23Å; F114-L118 HydrophobicContact CD1-CG 4.38Å; F114-L118 HydrophobicContact CE1-CD1 3.72Å; F114-L118 HydrophobicContact CE1-CD2 4.25Å; F114-L118 HydrophobicContact CE1-CG 4Å; F114-L118 HydrophobicContact CE2-CD2 4.21Å; F114-L118 HydrophobicContact CE2-CG 4.48Å; F114-L118 HydrophobicContact CZ-CD1 4.16Å; F114-L118 HydrophobicContact CZ-CD2 3.82Å; F114-L118 HydrophobicContact CZ-CG 4.05Å; F114-L118 WeakPolarHBondContact O-CG 3.28Å; F114-L118 PolarHBondContact O-N 3.43Å; I115-L118 WeakPolarHBondContact O-CB 3.43Å; I115-L118 PolarHBondContact O-N 3.49Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.92Å; L118-G122 PolarHBondContact O-N 2.92Å; L118-L123 PolarHBondContact O-N 3.04Å; L118-L124 HydrophobicContact CB-CB 4.02Å; L118-L124 PolarHBondContact O-N 3.33Å; L118-L124 VanDerWaalsContact O-N 3.1Å; L118-I219 HydrophobicContact CD1-CD1 4.3Å; L118-W290 HydrophobicContact CD2-CZ3 3.96Å
119H98.6Very high98.6Very high46 Ų4622 Ų2221%0.21312%0.119CC..Hα-helixtrans-66.2-48.3173.8173.559.5000111.7I115 R116 L117 K121 G122 L124 L141 P142I115-H119 PolarHBondContact O-N 3.31Å; R116-H119 WeakPolarHBondContact O-CA 3.47Å; R116-H119 VanDerWaalsContact O-CB 3.28Å; R116-H119 WeakPolarHBondContact O-CB 3.38Å; R116-H119 PolarHBondContact O-N 3.3Å; L117-H119 PolarHBondContact O-N 2.85Å; H119-K121 PolarHBondContact O-N 3.18Å; H119-G122 WeakPolarHBondContact O-CA 3.48Å; H119-G122 PolarHBondContact O-N 2.79Å; H119-L124 HydrophobicContact CB-CB 4.12Å; H119-L124 HydrophobicContact CB-CD2 3.96Å; H119-L141 HydrophobicContact CB-CD1 4.02Å; H119-P142 WeakPolarHBondContact NE2-CG 3.35Å
120D98.3Very high98.5Very high80 Ų8022.6 Ų22.643%0.42812%0.122SC..Hα-helixtrans-63.1-31.4179.7-64.3-24.3000112.1R116 L117 G122R116-D120 IonicContact CZ-OD1 2.86Å; R116-D120 IonicContact CZ-OD2 2.66Å; R116-D120 IonicContact NE-OD1 3.43Å; R116-D120 PolarHBondContact NE-OD1 3.1Å; R116-D120 IonicContact NE-OD2 2.69Å; R116-D120 PolarHBondContact NE-OD2 3.03Å; R116-D120 IonicContact NH2-OD1 3Å; R116-D120 PolarHBondContact NH2-OD1 2.89Å; R116-D120 VanDerWaalsContact NH2-OD1 3.09Å; R116-D120 IonicContact NH2-OD2 3.57Å; R116-D120 PolarHBondContact O-N 2.94Å; L117-D120 PolarHBondContact O-N 3.29Å; D120-G122 PolarHBondContact O-N 3.01Å
121K98.1Very high98.3Very high75 Ų7521.4 Ų21.433%0.32612%0.116SC..THydrogen-bonded Turntrans-77.1-3.3173.2-60.8-90.9178.4-170.30113.1L117 H119 L123 W290 D293L117-K121 HydrophobicContact CD1-CG 4.28Å; L117-K121 HydrophobicContact CG-CG 4.28Å; L117-K121 WeakPolarHBondContact O-CB 3.32Å; L117-K121 WeakPolarHBondContact O-CG 3.49Å; L117-K121 PolarHBondContact O-N 3.24Å; H119-K121 PolarHBondContact O-N 3.18Å; K121-L123 VanDerWaalsContact C-N 3.33Å; K121-L123 HydrophobicContact CB-CD1 4.08Å; K121-L123 HydrophobicContact CB-CG 4.21Å; K121-L123 PolarHBondContact O-N 3.35Å; K121-W290 HydrophobicContact CB-CH2 4.44Å; K121-W290 HydrophobicContact CD-CD2 4Å; K121-W290 HydrophobicContact CD-CE3 4.35Å; K121-W290 HydrophobicContact CD-CH2 4.17Å; K121-W290 HydrophobicContact CD-CZ2 3.76Å; K121-W290 HydrophobicContact CD-CZ3 4.43Å; K121-W290 VanDerWaalsContact CE-CD2 3.47Å; K121-W290 HydrophobicContact CG-CD2 4.49Å; K121-W290 HydrophobicContact CG-CE3 4.35Å; K121-W290 HydrophobicContact CG-CH2 4.14Å; K121-W290 HydrophobicContact CG-CZ2 4.25Å; K121-W290 HydrophobicContact CG-CZ3 4.17Å; K121-W290 VanDerWaalsContact NZ-CD1 3.27Å; K121-D293 IonicContact NZ-OD2 3.61Å; K121-D293 PolarHBondContact NZ-OD2 3.34Å
122G98.1Very high98.1Very high61 Ų6123 Ų2363%0.62913%0.126SC*.THydrogen-bonded Turntrans76.612.5-179.900000115.3L118 H119 D120L118-G122 PolarHBondContact O-N 2.92Å; H119-G122 WeakPolarHBondContact O-CA 3.48Å; H119-G122 PolarHBondContact O-N 2.79Å; D120-G122 PolarHBondContact O-N 3.01Å
123L98.5Very high97.8Very high21 Ų2124.9 Ų24.911%0.1114%0.136CC..  trans-98.5-23.8-172.6-62.7172000113.7I34 V39 I42 L118 K121 L125 W290I34-L123 HydrophobicContact CG2-CD1 3.96Å; V39-L123 WeakPolarHBondContact O-CD2 3.45Å; I42-L123 HydrophobicContact CD1-CB 3.88Å; I42-L123 HydrophobicContact CD1-CD1 4.36Å; I42-L123 HydrophobicContact CG1-CB 4.31Å; I42-L123 PolarHBondContact N-O 3.38Å; L118-L123 PolarHBondContact O-N 3.04Å; K121-L123 VanDerWaalsContact C-N 3.33Å; K121-L123 HydrophobicContact CB-CD1 4.08Å; K121-L123 HydrophobicContact CB-CG 4.21Å; K121-L123 PolarHBondContact O-N 3.35Å; L123-L125 PolarHBondContact O-N 2.93Å; L123-W290 HydrophobicContact CD1-CH2 3.44Å; L123-W290 VanDerWaalsContact CD1-CH2 3.44Å; L123-W290 HydrophobicContact CD1-CZ2 4.26Å; L123-W290 HydrophobicContact CD1-CZ3 4.27Å
124L98.7Very high97.5Very high4 Ų426.2 Ų26.22%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-73.6115.2-177.7-173.572.3000111.3T44 I115 L118 H119 H127 L141 K145T44-L124 HydrophobicContact CG2-CD1 4.12Å; I115-L124 HydrophobicContact CG2-CD1 4.4Å; I115-L124 HydrophobicContact CG2-CD2 4.02Å; L118-L124 HydrophobicContact CB-CB 4.02Å; L118-L124 PolarHBondContact O-N 3.33Å; L118-L124 VanDerWaalsContact O-N 3.1Å; H119-L124 HydrophobicContact CB-CB 4.12Å; H119-L124 HydrophobicContact CB-CD2 3.96Å; L124-H127 HydrophobicContact CD2-CB 4.32Å; L124-L141 HydrophobicContact CD2-CD1 3.62Å; L124-K145 HydrophobicContact CD2-CB 4.16Å; L124-K145 HydrophobicContact CD2-CG 4.49Å; L124-K145 PolarHBondContact O-NZ 3.11Å
125L98.4Very high97.4Very high30 Ų3026.3 Ų26.316%0.15715%0.145CC..EExtended strand (participates in β ladder)trans-76.3-56.8169.3177.559.2000110.6K41 I42 I43 L123 D211 N214K41-L125 HydrophobicContact CB-CB 4.07Å; K41-L125 HydrophobicContact CB-CD2 4.1Å; I42-L125 WeakPolarHBondContact O-CB 3.43Å; I42-L125 PolarHBondContact O-N 3.01Å; I43-L125 HydrophobicContact CD1-CD2 4.24Å; I43-L125 HydrophobicContact CG1-CB 4.34Å; I43-L125 HydrophobicContact CG1-CD2 4.08Å; I43-L125 HydrophobicContact CG1-CG 4.45Å; L123-L125 PolarHBondContact O-N 2.93Å; L125-D211 HydrophobicContact CD2-CB 4.32Å; L125-D211 WeakPolarHBondContact CD2-O 3.19Å; L125-N214 HydrophobicContact CD2-CB 4.13Å
126R98.6Very high97.3Very high31 Ų3126.3 Ų26.312%0.11715%0.145CC..EExtended strand (participates in β ladder)trans-153.5148.6179.6-158.471.866.8-151.7-16.2111.9I43 T44 Y128 E144 K145 V147 N207 D211I43-R126 WeakPolarHBondContact CA-O 3.32Å; T44-R126 PolarHBondContact N-O 3.14Å; R126-Y128 HydrophobicContact CB-CD2 4.19Å; R126-Y128 HydrophobicContact CB-CE2 3.7Å; R126-Y128 HydrophobicContact CG-CD2 3.96Å; R126-Y128 HydrophobicContact CG-CE2 3.49Å; R126-Y128 VanDerWaalsContact CG-CE2 3.49Å; R126-E144 PolarHBondContact NH1-O 3.17Å; R126-K145 WeakPolarHBondContact CD-O 3.25Å; R126-V147 HydrophobicContact CG-CG2 3.79Å; R126-N207 PolarHBondContact NH2-ND2 3.1Å; R126-D211 WeakPolarHBondContact CG-OD2 3.26Å; R126-D211 IonicContact CZ-OD1 3.4Å; R126-D211 IonicContact CZ-OD2 2.8Å; R126-D211 IonicContact NE-OD1 3.33Å; R126-D211 IonicContact NE-OD2 2.54Å; R126-D211 PolarHBondContact NE-OD2 2.8Å; R126-D211 IonicContact NH2-OD1 4Å; R126-D211 PolarHBondContact NH2-OD1 2.77Å; R126-D211 IonicContact NH2-OD2 3.36Å; R126-D211 PolarHBondContact NH2-OD2 2.83Å
127H98.6Very high97.1Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-113.3119.3170.5-179.556.2000110.4T44 V46 I115 L124 E136 L141 K145 L146 V147T44-H127 WeakPolarHBondContact OG1-CA 3.34Å; T44-H127 PolarHBondContact OG1-ND1 3.31Å; V46-H127 WeakPolarHBondContact CG2-CE1 3.38Å; I115-H127 WeakPolarHBondContact CD1-CE1 3.26Å; I115-H127 HydrophobicContact CG2-CB 4.07Å; L124-H127 HydrophobicContact CD2-CB 4.32Å; H127-E136 WeakPolarHBondContact NE2-CG 3.41Å; H127-E136 IonicContact NE2-OE1 2.78Å; H127-L141 HydrophobicContact CB-CD2 3.75Å; H127-K145 PolarHBondContact N-O 2.99Å; H127-L146 CarbonylContact O-C 3.54Å; H127-V147 PolarHBondContact O-N 3.34Å
128Y98.5Very high96.9Very high1 Ų128.7 Ų28.70%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-107120.1174.8-68.9-98.4000109.2I43 T44 M45 V46 R126 V147 F204 L208 D211 M233I43-Y128 HydrophobicContact CG2-CD2 3.77Å; I43-Y128 HydrophobicContact CG2-CE2 4.01Å; T44-Y128 PolarHBondContact O-N 2.9Å; M45-Y128 CarbonylContact C-O 3.55Å; M45-Y128 VanDerWaalsContact CA-O 3.32Å; M45-Y128 WeakPolarHBondContact CA-O 3.33Å; V46-Y128 PolarHBondContact N-O 2.93Å; R126-Y128 HydrophobicContact CB-CD2 4.19Å; R126-Y128 HydrophobicContact CB-CE2 3.7Å; R126-Y128 HydrophobicContact CG-CD2 3.96Å; R126-Y128 HydrophobicContact CG-CE2 3.49Å; R126-Y128 VanDerWaalsContact CG-CE2 3.49Å; Y128-V147 WeakPolarHBondContact CA-O 3.24Å; Y128-V147 HydrophobicContact CD1-CB 3.62Å; Y128-V147 HydrophobicContact CD1-CG1 3.53Å; Y128-V147 HydrophobicContact CD1-CG2 4.15Å; Y128-V147 HydrophobicContact CE1-CB 3.89Å; Y128-V147 HydrophobicContact CE1-CG1 3.7Å; Y128-V147 HydrophobicContact CE1-CG2 3.93Å; Y128-V147 HydrophobicContact CG-CB 4.16Å; Y128-V147 HydrophobicContact CG-CG1 4.49Å; Y128-F204 HydrophobicContact CD1-CD2 4.11Å; Y128-F204 HydrophobicContact CD1-CE2 4.09Å; Y128-F204 HydrophobicContact CE1-CD2 4.3Å; Y128-F204 HydrophobicContact CE1-CE2 4.39Å; Y128-L208 HydrophobicContact CE1-CD1 3.88Å; Y128-D211 PolarHBondContact OH-OD2 3.31Å; Y128-D211 VanDerWaalsContact OH-OD2 3.05Å; Y128-M233 HydrophobicContact CD1-CE 3.65Å; Y128-M233 HydrophobicContact CD1-SD 4.11Å; Y128-M233 HydrophobicContact CD2-CE 3.67Å; Y128-M233 HydrophobicContact CE1-CE 3.81Å; Y128-M233 HydrophobicContact CE1-SD 4.46Å; Y128-M233 HydrophobicContact CE2-CE 3.8Å; Y128-M233 HydrophobicContact CG-CE 3.58Å; Y128-M233 HydrophobicContact CG-SD 4.39Å
129T98.2Very high96.8Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-118.1138.7179.2-174.70000111V46 N131 E136 L146 V147 E148 A149V46-T129 WeakPolarHBondContact CG2-OG1 3.5Å; T129-N131 VanDerWaalsContact C-N 3.3Å; T129-N131 WeakPolarHBondContact OG1-CB 3.13Å; T129-N131 PolarHBondContact OG1-N 2.89Å; T129-E136 WeakPolarHBondContact CB-OE1 3.07Å; T129-E136 HydrophobicContact CG2-CG 4.28Å; T129-E136 PolarHBondContact OG1-OE1 3.36Å; T129-L146 HydrophobicContact CG2-CD1 3.83Å; T129-V147 PolarHBondContact N-O 3.36Å; T129-E148 HydrophobicContact CG2-CG 4.13Å; T129-A149 WeakPolarHBondContact O-CB 3.4Å; T129-A149 PolarHBondContact O-N 2.96Å
130Q96.8Very high96.8Very high16 Ų1628 Ų288%0.07516%0.162CC..  trans-85.2-9.5165.9-68.8170.3101.100112.1V46 H150 T223 F230V46-Q130 PolarHBondContact O-N 3.42Å; V46-Q130 PolarHBondContact O-NE2 3.28Å; V46-Q130 VanDerWaalsContact O-NE2 3.16Å; Q130-H150 WeakPolarHBondContact CB-ND1 3.46Å; Q130-H150 VanDerWaalsContact CG-CE1 3.43Å; Q130-H150 WeakPolarHBondContact CG-CE1 3.2Å; Q130-H150 WeakPolarHBondContact O-CB 3.37Å; Q130-H150 PolarHBondContact O-ND1 2.94Å; Q130-H150 VanDerWaalsContact O-ND1 3.07Å; Q130-T223 VanDerWaalsContact NE2-CB 3.29Å; Q130-T223 PolarHBondContact NE2-OG1 3.17Å; Q130-F230 VanDerWaalsContact CD-CD1 3.4Å; Q130-F230 HydrophobicContact CG-CB 4.29Å; Q130-F230 HydrophobicContact CG-CD1 3.58Å; Q130-F230 HydrophobicContact CG-CD2 3.59Å; Q130-F230 HydrophobicContact CG-CE1 3.65Å; Q130-F230 HydrophobicContact CG-CE2 3.65Å; Q130-F230 HydrophobicContact CG-CG 3.55Å; Q130-F230 HydrophobicContact CG-CZ 3.69Å
131N95.7Very high96.7Very high6 Ų624.7 Ų24.73%0.03214%0.144CC..  trans-80.1157-175.5-58.6-14.8000110.4G47 A48 V50 S51 T129G47-N131 WeakPolarHBondContact CA-OD1 3.33Å; G47-N131 PolarHBondContact O-ND2 3.37Å; G47-N131 VanDerWaalsContact O-ND2 3.14Å; G47-N131 PolarHBondContact O-OD1 2.78Å; A48-N131 WeakPolarHBondContact CA-OD1 3.31Å; A48-N131 PolarHBondContact N-OD1 2.84Å; V50-N131 WeakPolarHBondContact CG2-ND2 3.31Å; S51-N131 PolarHBondContact OG-ND2 3.24Å; T129-N131 VanDerWaalsContact C-N 3.3Å; T129-N131 WeakPolarHBondContact OG1-CB 3.13Å; T129-N131 PolarHBondContact OG1-N 2.89Å
132V93.6Very high96.7Very high34 Ų3422.6 Ų22.621%0.20614%0.138CC..  trans-129.815.4-179-59.80000111H150 G151 F153 V193V132-H150 HydrophobicContact CG1-CB 4.22Å; V132-H150 WeakPolarHBondContact CG1-O 3.34Å; V132-G151 WeakPolarHBondContact CG1-O 3.43Å; V132-F153 HydrophobicContact CB-CD2 3.98Å; V132-F153 HydrophobicContact CB-CE2 4.27Å; V132-F153 HydrophobicContact CG2-CD2 3.76Å; V132-F153 HydrophobicContact CG2-CE2 3.58Å; V132-V193 HydrophobicContact CB-CG1 4.12Å; V132-V193 HydrophobicContact CG1-CG1 4.04Å; V132-V193 HydrophobicContact CG2-CG1 4.31Å
133D93Very high96.6Very high40 Ų4023.9 Ų23.921%0.21413%0.128CC..SBendtrans-86.3-5.3-174.45636.2000113.8S51 I56 L135S51-D133 VanDerWaalsContact CB-OD2 3.27Å; S51-D133 WeakPolarHBondContact CB-OD2 3.44Å; S51-D133 PolarHBondContact OG-OD2 3.46Å; I56-D133 HydrophobicContact CD1-CB 3.56Å; D133-L135 HydrophobicContact CB-CG 4.3Å; D133-L135 PolarHBondContact O-N 2.82Å; D133-L135 WeakPolarHBondContact OD1-CB 3.45Å; D133-L135 WeakPolarHBondContact OD1-CG 3.41Å; D133-L135 PolarHBondContact OD1-N 2.74Å
134S91.9Very high96.5Very high28 Ų2828.1 Ų28.120%0.19615%0.147CC..  trans66.410179.6-50.70000115.1E136 R137 L138S134-E136 PolarHBondContact O-N 2.56Å; S134-R137 WeakPolarHBondContact O-CB 3.32Å; S134-R137 PolarHBondContact O-N 3.42Å; S134-L138 PolarHBondContact O-N 2.7Å
135L96.3Very high96.4Very high1 Ų130 Ų301%0.00516%0.155CC..Hα-helixtrans-65-28.4-178.6-65.8-171000112.4A54 I56 A106 P108 H112 D133 R137 L138 S139A54-L135 HydrophobicContact CB-CD1 3.72Å; I56-L135 HydrophobicContact CD1-CD1 3.98Å; I56-L135 HydrophobicContact CD1-CG 4.38Å; A106-L135 HydrophobicContact CB-CD2 4.11Å; P108-L135 WeakPolarHBondContact CG-O 3.46Å; H112-L135 WeakPolarHBondContact NE2-CB 3.28Å; D133-L135 HydrophobicContact CB-CG 4.3Å; D133-L135 PolarHBondContact O-N 2.82Å; D133-L135 WeakPolarHBondContact OD1-CB 3.45Å; D133-L135 WeakPolarHBondContact OD1-CG 3.41Å; D133-L135 PolarHBondContact OD1-N 2.74Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.26Å; L135-L138 HydrophobicContact CD2-CD1 4.04Å; L135-L138 PolarHBondContact O-N 2.92Å; L135-S139 PolarHBondContact O-N 3.13Å
136E96.4Very high96.4Very high3 Ų328.6 Ų28.61%0.01415%0.148CC..Hα-helixtrans-63-37.5171.6-60.780.3176.100112.1H127 T129 S134 S139 L141 L146H127-E136 WeakPolarHBondContact NE2-CG 3.41Å; H127-E136 IonicContact NE2-OE1 2.78Å; T129-E136 WeakPolarHBondContact CB-OE1 3.07Å; T129-E136 HydrophobicContact CG2-CG 4.28Å; T129-E136 PolarHBondContact OG1-OE1 3.36Å; S134-E136 PolarHBondContact O-N 2.56Å; E136-S139 PolarHBondContact O-OG 3.38Å; E136-L141 VanDerWaalsContact O-CB 3.28Å; E136-L141 WeakPolarHBondContact O-CB 3.3Å; E136-L141 PolarHBondContact O-N 3.43Å; E136-L146 HydrophobicContact CB-CD1 3.8Å; E136-L146 HydrophobicContact CB-CD2 4.25Å; E136-L146 HydrophobicContact CG-CD1 3.98Å
137R94.7Very high96.3Very high77 Ų7727.4 Ų27.429%0.29114%0.144SC..Hα-helixtrans-70.8-43.2176.7-61.2176.4170.9-73.9-5.1110S134 L135 S139 G140 E143 L146 E148S134-R137 WeakPolarHBondContact O-CB 3.32Å; S134-R137 PolarHBondContact O-N 3.42Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.26Å; R137-S139 PolarHBondContact O-N 2.64Å; R137-G140 WeakPolarHBondContact O-CA 3.34Å; R137-G140 PolarHBondContact O-N 3.36Å; R137-E143 IonicContact CZ-OE2 3.09Å; R137-E143 IonicContact NH1-OE2 2.72Å; R137-E143 PolarHBondContact NH1-OE2 3.15Å; R137-E143 IonicContact NH2-OE1 2.71Å; R137-E143 IonicContact NH2-OE2 3.62Å; R137-E143 PolarHBondContact NH2-OE2 3.25Å; R137-L146 HydrophobicContact CG-CD2 3.78Å; R137-E148 IonicContact CZ-OE1 3.78Å; R137-E148 IonicContact CZ-OE2 3.23Å; R137-E148 IonicContact NE-OE1 3.67Å; R137-E148 PolarHBondContact NE-OE1 3.33Å; R137-E148 IonicContact NE-OE2 2.68Å; R137-E148 IonicContact NH2-OE1 2.79Å; R137-E148 PolarHBondContact NH2-OE1 2.91Å; R137-E148 IonicContact NH2-OE2 2.99Å; R137-E148 PolarHBondContact NH2-OE2 2.77Å
138L95.5Very high96.3Very high49 Ų4928.3 Ų28.326%0.25715%0.148SC..Hα-helixtrans-65.9-23.9178.2-64.7-176.9000113.1P108 S134 L135 G140 R304 L305 F309P108-L138 HydrophobicContact CG-CB 3.76Å; S134-L138 PolarHBondContact O-N 2.7Å; L135-L138 HydrophobicContact CD2-CD1 4.04Å; L135-L138 PolarHBondContact O-N 2.92Å; L138-G140 PolarHBondContact O-N 2.73Å; L138-R304 PolarHBondContact O-NH2 2.87Å; L138-L305 HydrophobicContact CB-CD1 4.21Å; L138-L305 HydrophobicContact CB-CD2 4.22Å; L138-L305 HydrophobicContact CD2-CD2 3.95Å; L138-L305 HydrophobicContact CG-CD2 4.49Å; L138-F309 HydrophobicContact CD1-CZ 4.43Å
139S97.2Very high96.2Very high1 Ų128.2 Ų28.21%0.00715%0.148CC..THydrogen-bonded Turntrans-73.8-4.1171.277.80000113.2R116 L135 E136 R137 L141R116-S139 PolarHBondContact NH1-O 2.84Å; L135-S139 PolarHBondContact O-N 3.13Å; E136-S139 PolarHBondContact O-OG 3.38Å; R137-S139 PolarHBondContact O-N 2.64Å; S139-L141 VanDerWaalsContact C-N 3.33Å
140G96.6Very high96Very high30 Ų3029.9 Ų29.931%0.30916%0.155SC..THydrogen-bonded Turntrans72.424.8-176.500000113.2R116 R137 L138R116-G140 PolarHBondContact NH1-O 3.36Å; R116-G140 VanDerWaalsContact NH1-O 3.1Å; R137-G140 WeakPolarHBondContact O-CA 3.34Å; R137-G140 PolarHBondContact O-N 3.36Å; L138-G140 PolarHBondContact O-N 2.73Å
141L97.9Very high95.9Very high10 Ų1029.3 Ų29.35%0.05215%0.154CC..  trans-67.4128.9171.9-172.668.7000109.1I115 H119 L124 H127 E136 S139 K145 L146I115-L141 HydrophobicContact CG2-CD1 4.27Å; I115-L141 HydrophobicContact CG2-CD2 4.08Å; H119-L141 HydrophobicContact CB-CD1 4.02Å; L124-L141 HydrophobicContact CD2-CD1 3.62Å; H127-L141 HydrophobicContact CB-CD2 3.75Å; E136-L141 VanDerWaalsContact O-CB 3.28Å; E136-L141 WeakPolarHBondContact O-CB 3.3Å; E136-L141 PolarHBondContact O-N 3.43Å; S139-L141 VanDerWaalsContact C-N 3.33Å; L141-K145 HydrophobicContact CD1-CB 4.12Å; L141-K145 HydrophobicContact CG-CB 4.16Å; L141-L146 HydrophobicContact CD2-CB 4.31Å; L141-L146 HydrophobicContact CD2-CD1 4.45Å
142P97.5Very high95.7Very high32 Ų3229.8 Ų29.821%0.20816%0.157CC..  trans-63.4146.1-178.8-27.337.3000113.9H119 E144 K145 L146H119-P142 WeakPolarHBondContact NE2-CG 3.35Å; P142-E144 WeakPolarHBondContact CB-OE1 3.37Å; P142-E144 WeakPolarHBondContact CB-OE2 3.28Å; P142-E144 PolarHBondContact O-N 2.94Å; P142-K145 HydrophobicContact CB-CG 4.43Å; P142-K145 WeakPolarHBondContact O-CB 3.36Å; P142-K145 PolarHBondContact O-N 2.82Å; P142-L146 PolarHBondContact O-N 2.96Å
143E95Very high95.6Very high87 Ų8730.3 Ų30.341%0.40716%0.156SC..THydrogen-bonded Turntrans-57.2-35-176.6176.959.6-156.300112.6R137 K145 L146 K203R137-E143 IonicContact CZ-OE2 3.09Å; R137-E143 IonicContact NH1-OE2 2.72Å; R137-E143 PolarHBondContact NH1-OE2 3.15Å; R137-E143 IonicContact NH2-OE1 2.71Å; R137-E143 IonicContact NH2-OE2 3.62Å; R137-E143 PolarHBondContact NH2-OE2 3.25Å; E143-K145 VanDerWaalsContact C-N 3.27Å; E143-K145 PolarHBondContact O-N 3.28Å; E143-L146 PolarHBondContact O-N 3.39Å; E143-K203 VanDerWaalsContact CD-NZ 3.35Å; E143-K203 PolarHBondContact O-NZ 2.88Å; E143-K203 IonicContact OE1-NZ 3.83Å; E143-K203 PolarHBondContact OE1-NZ 2.71Å
144E96.5Very high95.3Very high110 Ų11033.5 Ų33.551%0.51417%0.17SC..THydrogen-bonded Turntrans-67.5-29.3177.375.8-73.9177.600111.8R126 P142R126-E144 PolarHBondContact NH1-O 3.17Å; P142-E144 WeakPolarHBondContact CB-OE1 3.37Å; P142-E144 WeakPolarHBondContact CB-OE2 3.28Å; P142-E144 PolarHBondContact O-N 2.94Å
145K98.1Very high95.4Very high45 Ų4533.6 Ų33.620%0.19617%0.17CC..THydrogen-bonded Turntrans-80.7-23.1179.3-63.9-66.6179.41720113L124 R126 H127 L141 P142 E143L124-K145 HydrophobicContact CD2-CB 4.16Å; L124-K145 HydrophobicContact CD2-CG 4.49Å; L124-K145 PolarHBondContact O-NZ 3.11Å; R126-K145 WeakPolarHBondContact CD-O 3.25Å; H127-K145 PolarHBondContact N-O 2.99Å; L141-K145 HydrophobicContact CD1-CB 4.12Å; L141-K145 HydrophobicContact CG-CB 4.16Å; P142-K145 HydrophobicContact CB-CG 4.43Å; P142-K145 WeakPolarHBondContact O-CB 3.36Å; P142-K145 PolarHBondContact O-N 2.82Å; E143-K145 VanDerWaalsContact C-N 3.27Å; E143-K145 PolarHBondContact O-N 3.28Å
146L97.5Very high95.4Very high0 Ų033.6 Ų33.60%017%0.169CC..EExtended strand (participates in β ladder)trans-90.2133-174178.961.5000113.1H127 T129 E136 R137 L141 P142 E143 E148 K203H127-L146 CarbonylContact O-C 3.54Å; T129-L146 HydrophobicContact CG2-CD1 3.83Å; E136-L146 HydrophobicContact CB-CD1 3.8Å; E136-L146 HydrophobicContact CB-CD2 4.25Å; E136-L146 HydrophobicContact CG-CD1 3.98Å; R137-L146 HydrophobicContact CG-CD2 3.78Å; L141-L146 HydrophobicContact CD2-CB 4.31Å; L141-L146 HydrophobicContact CD2-CD1 4.45Å; P142-L146 PolarHBondContact O-N 2.96Å; E143-L146 PolarHBondContact O-N 3.39Å; L146-E148 HydrophobicContact CD1-CG 4.24Å; L146-E148 HydrophobicContact CD2-CG 3.98Å; L146-E148 HydrophobicContact CG-CG 4.02Å; L146-K203 WeakPolarHBondContact O-CE 3.29Å; L146-K203 PolarHBondContact O-NZ 3.14Å
147V97.7Very high95.4Very high5 Ų535.6 Ų35.63%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-124.9101.7166.9179.50000108.6R126 H127 Y128 T129 A149 F204R126-V147 HydrophobicContact CG-CG2 3.79Å; H127-V147 PolarHBondContact O-N 3.34Å; Y128-V147 WeakPolarHBondContact CA-O 3.24Å; Y128-V147 HydrophobicContact CD1-CB 3.62Å; Y128-V147 HydrophobicContact CD1-CG1 3.53Å; Y128-V147 HydrophobicContact CD1-CG2 4.15Å; Y128-V147 HydrophobicContact CE1-CB 3.89Å; Y128-V147 HydrophobicContact CE1-CG1 3.7Å; Y128-V147 HydrophobicContact CE1-CG2 3.93Å; Y128-V147 HydrophobicContact CG-CB 4.16Å; Y128-V147 HydrophobicContact CG-CG1 4.49Å; T129-V147 PolarHBondContact N-O 3.36Å; V147-A149 PolarHBondContact O-N 2.84Å; V147-A149 VanDerWaalsContact O-N 3.08Å; V147-F204 HydrophobicContact CG1-CB 4.24Å; V147-F204 HydrophobicContact CG1-CD2 4.09Å
148E96.7Very high95.6Very high19 Ų1932 Ų329%0.08917%0.165CC..EExtended strand (participates in β ladder)trans-76.489.7171.7-70.1163.4135.900109T129 R137 L146 H150 G151 T152T129-E148 HydrophobicContact CG2-CG 4.13Å; R137-E148 IonicContact CZ-OE1 3.78Å; R137-E148 IonicContact CZ-OE2 3.23Å; R137-E148 IonicContact NE-OE1 3.67Å; R137-E148 PolarHBondContact NE-OE1 3.33Å; R137-E148 IonicContact NE-OE2 2.68Å; R137-E148 IonicContact NH2-OE1 2.79Å; R137-E148 PolarHBondContact NH2-OE1 2.91Å; R137-E148 IonicContact NH2-OE2 2.99Å; R137-E148 PolarHBondContact NH2-OE2 2.77Å; L146-E148 HydrophobicContact CD1-CG 4.24Å; L146-E148 HydrophobicContact CD2-CG 3.98Å; L146-E148 HydrophobicContact CG-CG 4.02Å; E148-H150 VanDerWaalsContact C-N 3.33Å; E148-H150 PolarHBondContact O-N 2.99Å; E148-G151 WeakPolarHBondContact CB-O 3.28Å; E148-G151 PolarHBondContact O-N 3.21Å; E148-G151 VanDerWaalsContact O-N 3.14Å; E148-T152 PolarHBondContact OE1-OG1 3.21Å
149A96.5Very high95.6Very high0 Ų033.5 Ų33.50%017%0.173CC..THydrogen-bonded Turntrans-64.4-40.2-171.700000111.2T129 V147 G151 M200 P201 F204 F230T129-A149 WeakPolarHBondContact O-CB 3.4Å; T129-A149 PolarHBondContact O-N 2.96Å; V147-A149 PolarHBondContact O-N 2.84Å; V147-A149 VanDerWaalsContact O-N 3.08Å; A149-G151 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.71Å; A149-M200 HydrophobicContact CB-CE 3.5Å; A149-M200 WeakPolarHBondContact O-CE 3.3Å; A149-P201 WeakPolarHBondContact O-CD 3.38Å; A149-F204 HydrophobicContact CB-CD2 3.61Å; A149-F204 HydrophobicContact CB-CE2 3.86Å; A149-F230 HydrophobicContact CB-CD2 3.56Å; A149-F230 HydrophobicContact CB-CE2 3.8Å
150H95.6Very high95.5Very high34 Ų3441.1 Ų41.116%0.15721%0.206CC..THydrogen-bonded Turntrans-94.623.9175.7-60.3157.3000113.4Q130 V132 E148 V193 V194Q130-H150 WeakPolarHBondContact CB-ND1 3.46Å; Q130-H150 VanDerWaalsContact CG-CE1 3.43Å; Q130-H150 WeakPolarHBondContact CG-CE1 3.2Å; Q130-H150 WeakPolarHBondContact O-CB 3.37Å; Q130-H150 PolarHBondContact O-ND1 2.94Å; Q130-H150 VanDerWaalsContact O-ND1 3.07Å; V132-H150 HydrophobicContact CG1-CB 4.22Å; V132-H150 WeakPolarHBondContact CG1-O 3.34Å; E148-H150 VanDerWaalsContact C-N 3.33Å; E148-H150 PolarHBondContact O-N 2.99Å; H150-V193 CarbonylContact O-C 3.43Å; H150-V193 VanDerWaalsContact O-CA 3.31Å; H150-V193 WeakPolarHBondContact O-CA 3.48Å; H150-V194 HydrophobicContact CB-CB 4.47Å; H150-V194 PolarHBondContact O-N 2.88Å
151G94.1Very high95.6Very high5 Ų542 Ų425%0.05221%0.207CC..EExtended strand (participates in β ladder)trans75.9-156.8174.400000113.5V132 E148 A149 D192V132-G151 WeakPolarHBondContact CG1-O 3.43Å; E148-G151 WeakPolarHBondContact CB-O 3.28Å; E148-G151 PolarHBondContact O-N 3.21Å; E148-G151 VanDerWaalsContact O-N 3.14Å; A149-G151 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.71Å; G151-D192 CarbonylContact C-O 3.15Å; G151-D192 WeakPolarHBondContact CA-O 3.47Å
152T91.9Very high95.5Very high15 Ų1547.1 Ų47.19%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-149.2153.9-169.6-171.30000112.4E148 H154 D192 V193E148-T152 PolarHBondContact OE1-OG1 3.21Å; T152-H154 VanDerWaalsContact C-N 3.33Å; T152-H154 HydrophobicContact CG2-CB 4.03Å; T152-H154 WeakPolarHBondContact OG1-CB 3.42Å; T152-H154 PolarHBondContact OG1-N 2.85Å; T152-H154 VanDerWaalsContact OG1-N 3.1Å; T152-D192 HydrophobicContact CG2-CB 4.36Å; T152-D192 PolarHBondContact N-O 3.01Å; T152-D192 CarbonylContact O-C 3.51Å; T152-D192 WeakPolarHBondContact O-CA 3.37Å; T152-D192 PolarHBondContact O-N 2.65Å; T152-V193 PolarHBondContact O-N 3.38Å
153F90.7Very high95.5Very high45 Ų4549.9 Ų49.920%0.19724%0.243CC..EExtended strand (participates in β ladder)trans-83.7-8.8165.9-85.3-86000112.9F94 A98 V132 T155 F167 M170 P191 V193F94-F153 HydrophobicContact CE1-CE1 4.49Å; F94-F153 HydrophobicContact CZ-CE1 4.24Å; F94-F153 AromaticContact CZ-CZ 3.96Å; F94-F153 HydrophobicContact CZ-CZ 3.96Å; A98-F153 HydrophobicContact CB-CE1 3.96Å; A98-F153 HydrophobicContact CB-CZ 3.99Å; V132-F153 HydrophobicContact CB-CD2 3.98Å; V132-F153 HydrophobicContact CB-CE2 4.27Å; V132-F153 HydrophobicContact CG2-CD2 3.76Å; V132-F153 HydrophobicContact CG2-CE2 3.58Å; F153-T155 PolarHBondContact O-N 2.85Å; F153-F167 HydrophobicContact CB-CE2 4.49Å; F153-F167 WeakPolarHBondContact O-CD2 3.37Å; F153-M170 WeakPolarHBondContact O-CE 3.28Å; F153-P191 HydrophobicContact CD1-CB 3.67Å; F153-P191 HydrophobicContact CD1-CG 3.81Å; F153-P191 HydrophobicContact CE1-CB 3.89Å; F153-P191 HydrophobicContact CE1-CG 3.7Å; F153-P191 HydrophobicContact CG-CB 4.38Å; F153-V193 HydrophobicContact CD2-CG1 3.62Å; F153-V193 HydrophobicContact CE2-CG1 3.57Å; F153-V193 HydrophobicContact CG-CG1 4.14Å; F153-V193 HydrophobicContact CZ-CG1 4.03Å
154H87.3Confident95.7Very high108 Ų10851.4 Ų51.450%0.525%0.25SC..EExtended strand (participates in β ladder)trans-63-28.9-173.4-169.167.1000113.9T152 F167T152-H154 VanDerWaalsContact C-N 3.33Å; T152-H154 HydrophobicContact CG2-CB 4.03Å; T152-H154 WeakPolarHBondContact OG1-CB 3.42Å; T152-H154 PolarHBondContact OG1-N 2.85Å; T152-H154 VanDerWaalsContact OG1-N 3.1Å; H154-F167 WeakPolarHBondContact O-CB 3.41Å; H154-F167 PolarHBondContact O-N 3.25Å; H154-F167 VanDerWaalsContact O-N 3.15Å
155T93.1Very high95.7Very high30 Ų3046.7 Ų46.718%0.18423%0.228CC..EExtended strand (participates in β ladder)trans-136158.6176.652.10000110F153 M170 D192F153-T155 PolarHBondContact O-N 2.85Å; T155-M170 WeakPolarHBondContact O-CE 3.4Å; T155-D192 VanDerWaalsContact CB-OD2 3.28Å; T155-D192 WeakPolarHBondContact CB-OD2 3.38Å; T155-D192 WeakPolarHBondContact O-CB 3.27Å; T155-D192 PolarHBondContact O-N 3.01Å; T155-D192 PolarHBondContact OG1-OD2 3.41Å
156G96.3Very high95.6Very high0 Ų049.1 Ų49.10%024%0.243CC..EExtended strand (participates in β ladder)trans-147155.9172.100000112Q164 H165 K190 D192G156-Q164 CarbonylContact O-C 3.49Å; G156-Q164 WeakPolarHBondContact O-CA 3.1Å; G156-H165 PolarHBondContact N-O 3.27Å; G156-H165 PolarHBondContact O-N 2.79Å; G156-K190 CarbonylContact C-O 3.56Å; G156-K190 WeakPolarHBondContact CA-O 3.47Å; G156-D192 WeakPolarHBondContact CA-OD1 3.33Å
157H97.7Very high95.3Very high45 Ų4551.7 Ų51.721%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-121.8142.1-178.4-7176.8000111.6I159 N162 K163 K190 D192H157-I159 PolarHBondContact O-N 2.88Å; H157-N162 PolarHBondContact CD2-O 3.05Å; H157-K163 WeakPolarHBondContact CA-O 3.31Å; H157-K190 PolarHBondContact N-O 3.45Å; H157-K190 PolarHBondContact O-N 2.84Å; H157-D192 IonicContact CE1-OD1 2.77Å; H157-D192 IonicContact CE1-OD2 3.44Å; H157-D192 PolarHBondContact CE1-OD2 2.92Å; H157-D192 VanDerWaalsContact CE1-OD2 3.22Å; H157-D192 IonicContact CG-OD1 3.34Å; H157-D192 PolarHBondContact N-OD1 3.02Å; H157-D192 VanDerWaalsContact ND1-CG 3.29Å; H157-D192 IonicContact ND1-OD1 3.52Å; H157-D192 PolarHBondContact ND1-OD1 2.74Å; H157-D192 IonicContact ND1-OD2 3.77Å; H157-D192 PolarHBondContact ND1-OD2 2.94Å
158C97.9Very high95Very high2 Ų255 Ų551%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-60.4124.3167.5175.90000110.3K160 C161 N162 K163 C182 C185 V188 V189C158-K160 PolarHBondContact O-N 3.29Å; C158-K160 PolarHBondContact SG-N 2.97Å; C158-K160 VanDerWaalsContact SG-N 3.44Å; C158-C161 PolarHBondContact SG-N 3.46Å; C158-C161 VanDerWaalsContact SG-N 3.44Å; C158-N162 VanDerWaalsContact O-CA 3.31Å; C158-N162 WeakPolarHBondContact O-CA 3.23Å; C158-N162 PolarHBondContact O-N 3.34Å; C158-K163 HydrophobicContact CB-CB 4.48Å; C158-K163 PolarHBondContact N-O 3.09Å; C158-C182 HydrophobicContact CB-CB 3.67Å; C158-C182 WeakPolarHBondContact SG-CB 3.5Å; C158-C185 PolarHBondContact SG-SG 3Å; C158-V188 WeakPolarHBondContact CA-O 3.4Å; C158-V189 HydrophobicContact CB-CG2 4.45Å
159I95.8Very high95Very high81 Ų8156 Ų5642%0.41527%0.273SS..THydrogen-bonded Turntrans-64.5-12.8-178.167.4172.2000113.8F87 H157 V188 K190F87-I159 HydrophobicContact CE1-CG2 4.36Å; H157-I159 PolarHBondContact O-N 2.88Å; I159-V188 HydrophobicContact CD1-CB 3.93Å; I159-V188 HydrophobicContact CD1-CG2 4.47Å; I159-V188 HydrophobicContact CG1-CB 4.25Å; I159-V188 WeakPolarHBondContact CG1-O 3.37Å; I159-V188 PolarHBondContact N-O 3.43Å; I159-K190 HydrophobicContact CG2-CB 3.81Å
160K96.3Very high94.9Very high161 Ų16156.1 Ų56.170%0.727%0.274SS*.THydrogen-bonded Turntrans-105.6-50.9-179.2-173.464.4176.7-176.70113.6C158 N187C158-K160 PolarHBondContact O-N 3.29Å; C158-K160 PolarHBondContact SG-N 2.97Å; C158-K160 VanDerWaalsContact SG-N 3.44Å; K160-N187 HydrophobicContact CB-CB 3.75Å
161C97.3Very high94.8Very high48 Ų4855.1 Ų55.132%0.32427%0.27SS..THydrogen-bonded Turntrans-108.70.3-17375.30000114.2C158 K163 C182C158-C161 PolarHBondContact SG-N 3.46Å; C158-C161 VanDerWaalsContact SG-N 3.44Å; C161-K163 PolarHBondContact O-N 3.28Å; C161-K163 VanDerWaalsContact O-N 3.09Å; C161-C182 VanDerWaalsContact SG-SG 3.62Å
162N97Very high94.9Very high118 Ų11859.4 Ų59.463%0.63129%0.292SS*.  trans55.923.5-180-155.860.4000114.7H157 C158 Q164H157-N162 PolarHBondContact CD2-O 3.05Å; C158-N162 VanDerWaalsContact O-CA 3.31Å; C158-N162 WeakPolarHBondContact O-CA 3.23Å; C158-N162 PolarHBondContact O-N 3.34Å; N162-Q164 PolarHBondContact O-N 2.75Å
163K97.4Very high95.1Very high90 Ų9060.5 Ų60.539%0.39130%0.296SS..  trans-67.6127169.6-177.3173-179.6178.10108.5H157 C158 C161 H165 K184H157-K163 WeakPolarHBondContact CA-O 3.31Å; C158-K163 HydrophobicContact CB-CB 4.48Å; C158-K163 PolarHBondContact N-O 3.09Å; C161-K163 PolarHBondContact O-N 3.28Å; C161-K163 VanDerWaalsContact O-N 3.09Å; K163-H165 PolarHBondContact O-CD2 3.22Å; K163-H165 VanDerWaalsContact O-CD2 3.31Å; K163-K184 HydrophobicContact CD-CB 3.95Å
164Q97.8Very high95.3Very high118 Ų11858.9 Ų58.955%0.55129%0.289SS*.EExtended strand (participates in β ladder)trans-73.1144.4174-171.4-179-30.400110.8G156 N162G156-Q164 CarbonylContact O-C 3.49Å; G156-Q164 WeakPolarHBondContact O-CA 3.1Å; N162-Q164 PolarHBondContact O-N 2.75Å
165H97.4Very high95.6Very high11 Ų1157.7 Ų57.75%0.05129%0.286CS..EExtended strand (participates in β ladder)trans-131.1147.9172.4-69.7-95.9000108.8G156 K163 F169 V189G156-H165 PolarHBondContact N-O 3.27Å; G156-H165 PolarHBondContact O-N 2.79Å; K163-H165 PolarHBondContact O-CD2 3.22Å; K163-H165 VanDerWaalsContact O-CD2 3.31Å; H165-F169 HydrophobicContact CB-CD1 3.58Å; H165-F169 HydrophobicContact CB-CE1 4.1Å; H165-F169 HydrophobicContact CB-CG 4.33Å; H165-F169 AromaticContact CG-CD1 3.74Å; H165-F169 AromaticContact CG-CE1 3.83Å; H165-F169 AromaticContact ND1-CD1 3.45Å; H165-F169 WeakPolarHBondContact ND1-CD1 3.24Å; H165-F169 AromaticContact ND1-CE1 3.44Å; H165-F169 WeakPolarHBondContact ND1-CE1 3.3Å; H165-F169 AromaticContact ND1-CG 3.87Å; H165-F169 AromaticContact ND1-CZ 3.87Å; H165-V189 HydrophobicContact CB-CG1 3.91Å; H165-V189 VanDerWaalsContact CD2-CG2 3.48Å; H165-V189 WeakPolarHBondContact CD2-CG2 3.4Å
166D95Very high95.8Very high96 Ų9658.3 Ų58.351%0.51329%0.294SS..EExtended strand (participates in β ladder)trans-83.6169.6179.358.444.3000112.6E168 F169 M170D166-E168 PolarHBondContact OD1-N 3.01Å; D166-F169 VanDerWaalsContact OD1-CB 3.29Å; D166-F169 WeakPolarHBondContact OD1-CB 3.39Å; D166-F169 PolarHBondContact OD1-N 3.34Å; D166-M170 PolarHBondContact O-N 2.77Å
167F91.7Very high95.7Very high54 Ų5465.9 Ų65.924%0.23733%0.327CS..Hα-helixtrans-55.3-47.2177175.6-109.5000112.9Y102 F153 H154 F169 M170 L171Y102-F167 AromaticContact CE2-CZ 3.97Å; Y102-F167 HydrophobicContact CE2-CZ 3.97Å; F153-F167 HydrophobicContact CB-CE2 4.49Å; F153-F167 WeakPolarHBondContact O-CD2 3.37Å; H154-F167 WeakPolarHBondContact O-CB 3.41Å; H154-F167 PolarHBondContact O-N 3.25Å; H154-F167 VanDerWaalsContact O-N 3.15Å; F167-F169 PolarHBondContact O-N 2.89Å; F167-M170 PolarHBondContact O-N 3.04Å; F167-L171 HydrophobicContact CE1-CB 4.46Å; F167-L171 HydrophobicContact CE1-CD2 3.73Å; F167-L171 HydrophobicContact CZ-CB 4.39Å; F167-L171 HydrophobicContact CZ-CD1 4.37Å; F167-L171 HydrophobicContact CZ-CD2 3.89Å; F167-L171 HydrophobicContact CZ-CG 4.45Å; F167-L171 VanDerWaalsContact O-CB 3.27Å; F167-L171 WeakPolarHBondContact O-CB 3.38Å; F167-L171 PolarHBondContact O-N 2.73Å
168E92.5Very high95.6Very high76 Ų7669.8 Ų69.836%0.35534%0.34SS..Hα-helixtrans-65.4-39.5-174.4-62.8-60.5158.800111.6D166 M170 L171 N172 K312D166-E168 PolarHBondContact OD1-N 3.01Å; E168-M170 PolarHBondContact O-N 2.96Å; E168-L171 PolarHBondContact O-N 3.15Å; E168-N172 WeakPolarHBondContact O-CB 3.45Å; E168-N172 PolarHBondContact O-N 3.23Å; E168-N172 PolarHBondContact O-ND2 3.39Å; E168-K312 IonicContact OE1-NZ 2.8Å; E168-K312 PolarHBondContact OE1-NZ 2.96Å; E168-K312 IonicContact OE2-NZ 3.82Å
169F95.5Very high95.6Very high38 Ų3871.2 Ų71.217%0.16735%0.348CS..Hα-helixtrans-57-50.5172.1167.8-95.8000111.7H165 D166 F167 E173 P180 Q181 L183 V189H165-F169 HydrophobicContact CB-CD1 3.58Å; H165-F169 HydrophobicContact CB-CE1 4.1Å; H165-F169 HydrophobicContact CB-CG 4.33Å; H165-F169 AromaticContact CG-CD1 3.74Å; H165-F169 AromaticContact CG-CE1 3.83Å; H165-F169 AromaticContact ND1-CD1 3.45Å; H165-F169 WeakPolarHBondContact ND1-CD1 3.24Å; H165-F169 AromaticContact ND1-CE1 3.44Å; H165-F169 WeakPolarHBondContact ND1-CE1 3.3Å; H165-F169 AromaticContact ND1-CG 3.87Å; H165-F169 AromaticContact ND1-CZ 3.87Å; D166-F169 VanDerWaalsContact OD1-CB 3.29Å; D166-F169 WeakPolarHBondContact OD1-CB 3.39Å; D166-F169 PolarHBondContact OD1-N 3.34Å; F167-F169 PolarHBondContact O-N 2.89Å; F169-E173 HydrophobicContact CE2-CG 4.37Å; F169-E173 HydrophobicContact CZ-CG 4.29Å; F169-E173 PolarHBondContact O-N 2.92Å; F169-P180 HydrophobicContact CE1-CB 4.07Å; F169-Q181 VanDerWaalsContact CZ-O 3.3Å; F169-Q181 WeakPolarHBondContact CZ-O 3.09Å; F169-L183 HydrophobicContact CD2-CD1 4.49Å; F169-L183 HydrophobicContact CE2-CD1 4.37Å; F169-L183 HydrophobicContact CE2-CD2 3.95Å; F169-L183 HydrophobicContact CE2-CG 4.05Å; F169-L183 HydrophobicContact CZ-CG 4.5Å; F169-V189 HydrophobicContact CE1-CB 4.34Å; F169-V189 HydrophobicContact CE1-CG1 4.43Å; F169-V189 HydrophobicContact CE1-CG2 4.12Å
170M95.5Very high95.7Very high3 Ų367.3 Ų67.32%0.01533%0.329CS..Hα-helixtrans-66.6-43.5-178.9-66.7-173.1-68.600111.4F153 T155 D166 F167 E168 N172 E173 I174 P180 V189 P191F153-M170 WeakPolarHBondContact O-CE 3.28Å; T155-M170 WeakPolarHBondContact O-CE 3.4Å; D166-M170 PolarHBondContact O-N 2.77Å; F167-M170 PolarHBondContact O-N 3.04Å; E168-M170 PolarHBondContact O-N 2.96Å; M170-N172 PolarHBondContact O-N 3.43Å; M170-E173 PolarHBondContact O-N 3.14Å; M170-I174 HydrophobicContact CB-CD1 4.41Å; M170-I174 WeakPolarHBondContact O-CB 3Å; M170-I174 WeakPolarHBondContact O-CD1 3.39Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 2.82Å; M170-P180 HydrophobicContact CB-CG 4.5Å; M170-V189 HydrophobicContact CG-CG1 4.15Å; M170-V189 HydrophobicContact SD-CG1 4.08Å; M170-P191 HydrophobicContact CE-CB 4.46Å; M170-P191 HydrophobicContact SD-CB 4.09Å; M170-P191 HydrophobicContact SD-CG 3.89Å
171L93.6Very high95.8Very high13 Ų1363.1 Ų63.17%0.06831%0.312CS..Hα-helixtrans-59.6-47.4-179.6-179.565.5000111.1Y102 F167 E168 E173 I174 L175Y102-L171 HydrophobicContact CD1-CD1 3.96Å; Y102-L171 HydrophobicContact CD2-CD1 3.93Å; Y102-L171 HydrophobicContact CE1-CD1 3.71Å; Y102-L171 HydrophobicContact CE1-CD2 4.24Å; Y102-L171 HydrophobicContact CE2-CD1 3.73Å; Y102-L171 HydrophobicContact CE2-CD2 4.34Å; Y102-L171 HydrophobicContact CG-CD1 4.05Å; Y102-L171 WeakPolarHBondContact OH-CD2 3.44Å; F167-L171 HydrophobicContact CE1-CB 4.46Å; F167-L171 HydrophobicContact CE1-CD2 3.73Å; F167-L171 HydrophobicContact CZ-CB 4.39Å; F167-L171 HydrophobicContact CZ-CD1 4.37Å; F167-L171 HydrophobicContact CZ-CD2 3.89Å; F167-L171 HydrophobicContact CZ-CG 4.45Å; F167-L171 VanDerWaalsContact O-CB 3.27Å; F167-L171 WeakPolarHBondContact O-CB 3.38Å; F167-L171 PolarHBondContact O-N 2.73Å; E168-L171 PolarHBondContact O-N 3.15Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 3.05Å; L171-I174 PolarHBondContact O-N 3.45Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CD2 4.3Å; L171-L175 HydrophobicContact CD1-CG 3.82Å; L171-L175 HydrophobicContact CD2-CD1 4.37Å; L171-L175 HydrophobicContact CG-CD1 3.83Å; L171-L175 HydrophobicContact CG-CG 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 2.95Å
172N94.8Very high95.8Very high96 Ų9660.9 Ų60.951%0.51330%0.296SS..Hα-helixtrans-58.8-42.5179-76-31.1000112.4E168 M170 A176E168-N172 WeakPolarHBondContact O-CB 3.45Å; E168-N172 PolarHBondContact O-N 3.23Å; E168-N172 PolarHBondContact O-ND2 3.39Å; M170-N172 PolarHBondContact O-N 3.43Å; N172-A176 VanDerWaalsContact O-CB 3.23Å; N172-A176 WeakPolarHBondContact O-CB 3.5Å; N172-A176 PolarHBondContact O-N 3.05Å; N172-A176 VanDerWaalsContact O-N 3.13Å
173E97Very high95.7Very high38 Ų3860.6 Ų60.618%0.17829%0.294CS..Hα-helixtrans-66.1-46.5175.5-70.6-63.1109.600111.7F169 M170 L171 A176 K177 R178 P180F169-E173 HydrophobicContact CE2-CG 4.37Å; F169-E173 HydrophobicContact CZ-CG 4.29Å; F169-E173 PolarHBondContact O-N 2.92Å; M170-E173 PolarHBondContact O-N 3.14Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 3.05Å; E173-A176 CarbonylContact O-C 3.53Å; E173-A176 PolarHBondContact O-N 3.31Å; E173-K177 PolarHBondContact O-N 3.01Å; E173-R178 CarbonylContact C-O 3.51Å; E173-R178 HydrophobicContact CB-CB 4.47Å; E173-R178 WeakPolarHBondContact O-CA 3.24Å; E173-R178 PolarHBondContact O-N 3.33Å; E173-R178 VanDerWaalsContact O-O 3.11Å; E173-R178 IonicContact OE1-CZ 2.73Å; E173-R178 IonicContact OE1-NE 3.71Å; E173-R178 PolarHBondContact OE1-NE 3.19Å; E173-R178 VanDerWaalsContact OE1-NE 3.15Å; E173-R178 IonicContact OE1-NH2 2.74Å; E173-R178 PolarHBondContact OE1-NH2 2.98Å; E173-R178 WeakPolarHBondContact OE2-CB 3.13Å; E173-R178 IonicContact OE2-CZ 3.87Å; E173-R178 IonicContact OE2-NE 3.68Å; E173-R178 PolarHBondContact OE2-NE 3.14Å; E173-R178 IonicContact OE2-NH2 3.15Å; E173-P180 HydrophobicContact CB-CB 4.15Å; E173-P180 HydrophobicContact CB-CG 3.87Å; E173-P180 HydrophobicContact CG-CB 4.44Å
174I95Very high95.7Very high11 Ų1164 Ų646%0.05631%0.309CS..Hα-helixtrans-62.4-46.9-179.1-69.4166.6000111.3F95 R99 M170 L171 A176 K177 P180F95-I174 HydrophobicContact CD1-CD1 3.74Å; F95-I174 HydrophobicContact CD1-CG1 3.66Å; F95-I174 HydrophobicContact CE1-CD1 4.07Å; F95-I174 HydrophobicContact CE1-CG1 4.26Å; F95-I174 HydrophobicContact CG-CG1 4.44Å; R99-I174 HydrophobicContact CB-CG2 3.63Å; R99-I174 WeakPolarHBondContact CD-O 3.37Å; R99-I174 HydrophobicContact CG-CG2 4.15Å; M170-I174 HydrophobicContact CB-CD1 4.41Å; M170-I174 WeakPolarHBondContact O-CB 3Å; M170-I174 WeakPolarHBondContact O-CD1 3.39Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 2.82Å; L171-I174 PolarHBondContact O-N 3.45Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 2.95Å; I174-K177 PolarHBondContact O-N 2.81Å; I174-P180 HydrophobicContact CD1-CG 4.44Å; I174-P180 HydrophobicContact CG1-CG 3.98Å
175L94Very high95.7Very high82 Ų8260.4 Ų60.443%0.42930%0.296SS..Hα-helixtrans-64.4-34.7178.1-69.6-177.2000111.9R99 Y102 L171 K177R99-L175 HydrophobicContact CG-CD2 4.33Å; Y102-L175 HydrophobicContact CD1-CD2 3.89Å; Y102-L175 HydrophobicContact CE1-CD1 4.35Å; Y102-L175 HydrophobicContact CE1-CD2 4.41Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CD2 4.3Å; L171-L175 HydrophobicContact CD1-CG 3.82Å; L171-L175 HydrophobicContact CD2-CD1 4.37Å; L171-L175 HydrophobicContact CG-CD1 3.83Å; L171-L175 HydrophobicContact CG-CG 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 2.95Å; L175-K177 PolarHBondContact O-N 3.31Å
176A95.9Very high95.7Very high43 Ų4367.5 Ų67.536%0.35532%0.323SS..THydrogen-bonded Turntrans-78.812.2173.700000113.9N172 E173 I174 R178N172-A176 VanDerWaalsContact O-CB 3.23Å; N172-A176 WeakPolarHBondContact O-CB 3.5Å; N172-A176 PolarHBondContact O-N 3.05Å; N172-A176 VanDerWaalsContact O-N 3.13Å; E173-A176 CarbonylContact O-C 3.53Å; E173-A176 PolarHBondContact O-N 3.31Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 2.95Å; A176-R178 VanDerWaalsContact CB-CZ 3.47Å; A176-R178 PolarHBondContact O-N 3.22Å
177K94.7Very high95.8Very high160 Ų16066.1 Ų66.170%0.69632%0.315SS*.THydrogen-bonded Turntrans57.133.7-179.6-57.1-178.5179-1790113.3E173 I174 L175E173-K177 PolarHBondContact O-N 3.01Å; I174-K177 PolarHBondContact O-N 2.81Å; L175-K177 PolarHBondContact O-N 3.31Å
178R96.4Very high96.1Very high126 Ų12664.9 Ų64.948%0.47531%0.312SS..  trans-110.9149.2174.9-65.2-169.7-63.5-87.6-0.7110.9E173 A176 P180E173-R178 CarbonylContact C-O 3.51Å; E173-R178 HydrophobicContact CB-CB 4.47Å; E173-R178 WeakPolarHBondContact O-CA 3.24Å; E173-R178 PolarHBondContact O-N 3.33Å; E173-R178 VanDerWaalsContact O-O 3.11Å; E173-R178 IonicContact OE1-CZ 2.73Å; E173-R178 IonicContact OE1-NE 3.71Å; E173-R178 PolarHBondContact OE1-NE 3.19Å; E173-R178 VanDerWaalsContact OE1-NE 3.15Å; E173-R178 IonicContact OE1-NH2 2.74Å; E173-R178 PolarHBondContact OE1-NH2 2.98Å; E173-R178 WeakPolarHBondContact OE2-CB 3.13Å; E173-R178 IonicContact OE2-CZ 3.87Å; E173-R178 IonicContact OE2-NE 3.68Å; E173-R178 PolarHBondContact OE2-NE 3.14Å; E173-R178 IonicContact OE2-NH2 3.15Å; A176-R178 VanDerWaalsContact CB-CZ 3.47Å; A176-R178 PolarHBondContact O-N 3.22Å; R178-P180 WeakPolarHBondContact O-CD 3.36Å
179V97.2Very high96.4Very high32 Ų3261.3 Ų61.319%0.19430%0.295CS..  trans-75.7121.7168.3173.40000107.7P91 R92 F95 Q181 V188P91-V179 HydrophobicContact CG-CG1 3.93Å; P91-V179 HydrophobicContact CG-CG2 4.2Å; R92-V179 HydrophobicContact CG-CG2 3.78Å; F95-V179 HydrophobicContact CD2-CB 4.35Å; F95-V179 HydrophobicContact CD2-CG1 4.04Å; F95-V179 HydrophobicContact CD2-CG2 4.07Å; F95-V179 HydrophobicContact CE2-CG1 3.76Å; V179-Q181 PolarHBondContact O-N 3.4Å; V179-V188 HydrophobicContact CG1-CB 4.44Å; V179-V188 HydrophobicContact CG1-CG1 3.88Å; V179-V188 HydrophobicContact CG1-CG2 3.95Å
180P97.8Very high96.5Very high0 Ų060.2 Ų60.20%029%0.29CS..  trans-54.6124.1176.5-25.433.5000111.7F95 F169 M170 E173 I174 R178 V188 V189F95-P180 HydrophobicContact CD1-CG 4.32Å; F95-P180 HydrophobicContact CE1-CG 3.84Å; F95-P180 HydrophobicContact CZ-CG 4.04Å; F169-P180 HydrophobicContact CE1-CB 4.07Å; M170-P180 HydrophobicContact CB-CG 4.5Å; E173-P180 HydrophobicContact CB-CB 4.15Å; E173-P180 HydrophobicContact CB-CG 3.87Å; E173-P180 HydrophobicContact CG-CB 4.44Å; I174-P180 HydrophobicContact CD1-CG 4.44Å; I174-P180 HydrophobicContact CG1-CG 3.98Å; R178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-V188 WeakPolarHBondContact O-CA 3.34Å; P180-V189 HydrophobicContact CB-CB 3.99Å; P180-V189 PolarHBondContact O-N 3.31Å
181Q97.8Very high96.5Very high73 Ų7360 Ų6034%0.34129%0.29SS..BIsolated β-bridgetrans-117.2134.4-179.1-74.2-175.7-6.500111.9F169 V179 L183 N187F169-Q181 VanDerWaalsContact CZ-O 3.3Å; F169-Q181 WeakPolarHBondContact CZ-O 3.09Å; V179-Q181 PolarHBondContact O-N 3.4Å; Q181-L183 PolarHBondContact O-N 3.2Å; Q181-N187 CarbonylContact C-O 3.59Å
182C98.1Very high96.6Very high0 Ų061.7 Ų61.70%030%0.299CS..  trans-61124.8-175.6179.90000111.2C158 C161 K184 C185 R186 N187 V189C158-C182 HydrophobicContact CB-CB 3.67Å; C158-C182 WeakPolarHBondContact SG-CB 3.5Å; C161-C182 VanDerWaalsContact SG-SG 3.62Å; C182-K184 PolarHBondContact O-N 2.75Å; C182-K184 PolarHBondContact SG-N 3.47Å; C182-C185 PolarHBondContact O-N 2.78Å; C182-R186 VanDerWaalsContact O-CA 3.3Å; C182-R186 WeakPolarHBondContact O-CA 3.12Å; C182-R186 PolarHBondContact O-N 2.74Å; C182-N187 WeakPolarHBondContact CB-O 3.37Å; C182-N187 PolarHBondContact N-O 2.76Å; C182-V189 HydrophobicContact CB-CG2 3.9Å
183L95.1Very high96.7Very high112 Ų11257.7 Ų57.759%0.58628%0.277SS*.THydrogen-bonded Turntrans-59.1-18.5178.6-62.8174.5000113.9F169 Q181F169-L183 HydrophobicContact CD2-CD1 4.49Å; F169-L183 HydrophobicContact CE2-CD1 4.37Å; F169-L183 HydrophobicContact CE2-CD2 3.95Å; F169-L183 HydrophobicContact CE2-CG 4.05Å; F169-L183 HydrophobicContact CZ-CG 4.5Å; Q181-L183 PolarHBondContact O-N 3.2Å
184K96.8Very high96.6Very high163 Ų16357.3 Ų57.371%0.70928%0.278SS*.THydrogen-bonded Turntrans-93.7-39.4179-178.2177.1177.8179.80113.8K163 C182K163-K184 HydrophobicContact CD-CB 3.95Å; C182-K184 PolarHBondContact O-N 2.75Å; C182-K184 PolarHBondContact SG-N 3.47Å
185C97.7Very high96.6Very high42 Ų4257.1 Ų57.128%0.28428%0.277SS..THydrogen-bonded Turntrans-1377.5-168.370.90000114.7C158 C182 N187C158-C185 PolarHBondContact SG-SG 3Å; C182-C185 PolarHBondContact O-N 2.78Å; C185-N187 PolarHBondContact O-N 2.78Å; C185-N187 PolarHBondContact O-ND2 2.88Å
186R97Very high96.5Very high160 Ų16057.2 Ų57.260%0.60427%0.274SS*.  trans58.54.1176.7-55.1-57.5-57.9-162.4-1.8116.9C182C182-R186 VanDerWaalsContact O-CA 3.3Å; C182-R186 WeakPolarHBondContact O-CA 3.12Å; C182-R186 PolarHBondContact O-N 2.74Å
187N97.8Very high96.3Very high67 Ų6758.8 Ų58.836%0.35829%0.294SS..PPolyproline II helixtrans-73161.3170.6-74.9-94.9000111.1K160 Q181 C182 C185K160-N187 HydrophobicContact CB-CB 3.75Å; Q181-N187 CarbonylContact C-O 3.59Å; C182-N187 WeakPolarHBondContact CB-O 3.37Å; C182-N187 PolarHBondContact N-O 2.76Å; C185-N187 PolarHBondContact O-N 2.78Å; C185-N187 PolarHBondContact O-ND2 2.88Å
188V97.9Very high96.3Very high28 Ų2854.3 Ų54.317%0.1728%0.276CS..BIsolated β-bridgetrans-58.8137-177.5-179.30000111.6F87 P91 F95 C158 I159 V179 P180F87-V188 HydrophobicContact CE1-CG1 3.99Å; F87-V188 HydrophobicContact CZ-CG1 3.78Å; P91-V188 HydrophobicContact CB-CG1 4.38Å; P91-V188 HydrophobicContact CG-CG1 4.41Å; P91-V188 HydrophobicContact CG-CG2 4.13Å; F95-V188 HydrophobicContact CE2-CG1 4.09Å; F95-V188 HydrophobicContact CZ-CG1 4.4Å; C158-V188 WeakPolarHBondContact CA-O 3.4Å; I159-V188 HydrophobicContact CD1-CB 3.93Å; I159-V188 HydrophobicContact CD1-CG2 4.47Å; I159-V188 HydrophobicContact CG1-CB 4.25Å; I159-V188 WeakPolarHBondContact CG1-O 3.37Å; I159-V188 PolarHBondContact N-O 3.43Å; V179-V188 HydrophobicContact CG1-CB 4.44Å; V179-V188 HydrophobicContact CG1-CG1 3.88Å; V179-V188 HydrophobicContact CG1-CG2 3.95Å; P180-V188 WeakPolarHBondContact O-CA 3.34Å
189V98.2Very high96.2Very high0 Ų053.7 Ų53.70%029%0.291CS..EExtended strand (participates in β ladder)trans-96.3119.1166.5175.30000107.4F95 C158 H165 F169 M170 P180 C182F95-V189 WeakPolarHBondContact CZ-O 3.4Å; C158-V189 HydrophobicContact CB-CG2 4.45Å; H165-V189 HydrophobicContact CB-CG1 3.91Å; H165-V189 VanDerWaalsContact CD2-CG2 3.48Å; H165-V189 WeakPolarHBondContact CD2-CG2 3.4Å; F169-V189 HydrophobicContact CE1-CB 4.34Å; F169-V189 HydrophobicContact CE1-CG1 4.43Å; F169-V189 HydrophobicContact CE1-CG2 4.12Å; M170-V189 HydrophobicContact CG-CG1 4.15Å; M170-V189 HydrophobicContact SD-CG1 4.08Å; P180-V189 HydrophobicContact CB-CB 3.99Å; P180-V189 PolarHBondContact O-N 3.31Å; C182-V189 HydrophobicContact CB-CG2 3.9Å
190K97.5Very high96Very high15 Ų1553 Ų537%0.06529%0.286CS..EExtended strand (participates in β ladder)trans-96.8132.5176.1-166.1-179.690.255.50108.7I84 F87 G156 H157 I159 V193 L195 E198I84-K190 HydrophobicContact CD1-CD 4.11Å; F87-K190 HydrophobicContact CD1-CD 3.79Å; F87-K190 HydrophobicContact CD1-CG 4.22Å; F87-K190 HydrophobicContact CE1-CB 3.77Å; F87-K190 HydrophobicContact CE1-CD 3.59Å; F87-K190 HydrophobicContact CE1-CG 3.54Å; F87-K190 HydrophobicContact CE2-CG 4.12Å; F87-K190 HydrophobicContact CG-CD 4.39Å; F87-K190 HydrophobicContact CZ-CB 3.83Å; F87-K190 HydrophobicContact CZ-CD 4.02Å; F87-K190 HydrophobicContact CZ-CG 3.49Å; F87-K190 VanDerWaalsContact CZ-CG 3.49Å; G156-K190 CarbonylContact C-O 3.56Å; G156-K190 WeakPolarHBondContact CA-O 3.47Å; H157-K190 PolarHBondContact N-O 3.45Å; H157-K190 PolarHBondContact O-N 2.84Å; I159-K190 HydrophobicContact CG2-CB 3.81Å; K190-V193 PolarHBondContact NZ-O 2.95Å; K190-L195 HydrophobicContact CD-CD1 4.01Å; K190-E198 VanDerWaalsContact CE-OE1 3.23Å; K190-E198 WeakPolarHBondContact CE-OE1 3.32Å; K190-E198 WeakPolarHBondContact CE-OE2 3.44Å; K190-E198 IonicContact NZ-OE1 2.72Å; K190-E198 IonicContact NZ-OE2 3.56Å; K190-E198 PolarHBondContact NZ-OE2 3.44Å; K190-E198 VanDerWaalsContact NZ-OE2 3.17Å
191P96.6Very high95.8Very high0 Ų055 Ų550%030%0.299CS..EExtended strand (participates in β ladder)trans-55.7148.9165.7-2232.7000110.5F94 F95 F153 M170 V193F94-P191 HydrophobicContact CE1-CG 4.11Å; F94-P191 HydrophobicContact CZ-CG 4.47Å; F95-P191 HydrophobicContact CE1-CG 4.06Å; F153-P191 HydrophobicContact CD1-CB 3.67Å; F153-P191 HydrophobicContact CD1-CG 3.81Å; F153-P191 HydrophobicContact CE1-CB 3.89Å; F153-P191 HydrophobicContact CE1-CG 3.7Å; F153-P191 HydrophobicContact CG-CB 4.38Å; M170-P191 HydrophobicContact CE-CB 4.46Å; M170-P191 HydrophobicContact SD-CB 4.09Å; M170-P191 HydrophobicContact SD-CG 3.89Å; P191-V193 HydrophobicContact CB-CG1 4.31Å; P191-V193 HydrophobicContact CB-CG2 4.41Å; P191-V193 PolarHBondContact O-N 3.29Å
192D95.9Very high95.7Very high48 Ų4860.8 Ų60.826%0.25732%0.323SS..EExtended strand (participates in β ladder)trans-75.228.8-178.6-66.2-21.5000112.9G151 T152 T155 G156 H157G151-D192 CarbonylContact C-O 3.15Å; G151-D192 WeakPolarHBondContact CA-O 3.47Å; T152-D192 HydrophobicContact CG2-CB 4.36Å; T152-D192 PolarHBondContact N-O 3.01Å; T152-D192 CarbonylContact O-C 3.51Å; T152-D192 WeakPolarHBondContact O-CA 3.37Å; T152-D192 PolarHBondContact O-N 2.65Å; T155-D192 VanDerWaalsContact CB-OD2 3.28Å; T155-D192 WeakPolarHBondContact CB-OD2 3.38Å; T155-D192 WeakPolarHBondContact O-CB 3.27Å; T155-D192 PolarHBondContact O-N 3.01Å; T155-D192 PolarHBondContact OG1-OD2 3.41Å; G156-D192 WeakPolarHBondContact CA-OD1 3.33Å; H157-D192 IonicContact CE1-OD1 2.77Å; H157-D192 IonicContact CE1-OD2 3.44Å; H157-D192 PolarHBondContact CE1-OD2 2.92Å; H157-D192 VanDerWaalsContact CE1-OD2 3.22Å; H157-D192 IonicContact CG-OD1 3.34Å; H157-D192 PolarHBondContact N-OD1 3.02Å; H157-D192 VanDerWaalsContact ND1-CG 3.29Å; H157-D192 IonicContact ND1-OD1 3.52Å; H157-D192 PolarHBondContact ND1-OD1 2.74Å; H157-D192 IonicContact ND1-OD2 3.77Å; H157-D192 PolarHBondContact ND1-OD2 2.94Å
193V95.6Very high95.5Very high11 Ų1164.1 Ų64.17%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-70.9154.5165.2-58.30000110.1F94 V132 H150 T152 F153 K190 P191 L195F94-V193 HydrophobicContact CE2-CG2 4.11Å; F94-V193 HydrophobicContact CZ-CG2 3.76Å; V132-V193 HydrophobicContact CB-CG1 4.12Å; V132-V193 HydrophobicContact CG1-CG1 4.04Å; V132-V193 HydrophobicContact CG2-CG1 4.31Å; H150-V193 CarbonylContact O-C 3.43Å; H150-V193 VanDerWaalsContact O-CA 3.31Å; H150-V193 WeakPolarHBondContact O-CA 3.48Å; T152-V193 PolarHBondContact O-N 3.38Å; F153-V193 HydrophobicContact CD2-CG1 3.62Å; F153-V193 HydrophobicContact CE2-CG1 3.57Å; F153-V193 HydrophobicContact CG-CG1 4.14Å; F153-V193 HydrophobicContact CZ-CG1 4.03Å; K190-V193 PolarHBondContact NZ-O 2.95Å; P191-V193 HydrophobicContact CB-CG1 4.31Å; P191-V193 HydrophobicContact CB-CG2 4.41Å; P191-V193 PolarHBondContact O-N 3.29Å; V193-L195 HydrophobicContact CG2-CD2 4.18Å
194V95.6Very high95.5Very high30 Ų3058.9 Ų58.918%0.18231%0.31CS..PPolyproline II helixtrans-95.1116.9175.8-178.60000108.7H150 E198 M200 P201H150-V194 HydrophobicContact CB-CB 4.47Å; H150-V194 PolarHBondContact O-N 2.88Å; V194-E198 HydrophobicContact CG1-CB 4.1Å; V194-M200 HydrophobicContact CG1-SD 4.08Å; V194-M200 HydrophobicContact CG2-SD 4.5Å; V194-P201 HydrophobicContact CG2-CG 4.04Å
195L94.6Very high95.4Very high7 Ų756.3 Ų56.34%0.03730%0.299CS..PPolyproline II helixtrans-87.4155.7169.7-59.3-176.2000110.3F82 I84 F87 F94 K190 V193 G197 E198F82-L195 CarbonylContact O-C 3.57Å; F82-L195 WeakPolarHBondContact O-CA 3.26Å; F82-L195 WeakPolarHBondContact O-CB 3.45Å; I84-L195 HydrophobicContact CB-CB 4.29Å; I84-L195 HydrophobicContact CD1-CD1 4.26Å; F87-L195 HydrophobicContact CB-CD1 3.54Å; F87-L195 HydrophobicContact CD1-CD1 4.35Å; F87-L195 HydrophobicContact CD2-CD1 3.97Å; F87-L195 HydrophobicContact CG-CD1 3.69Å; F94-L195 HydrophobicContact CD2-CD2 4.07Å; F94-L195 HydrophobicContact CE2-CD2 3.77Å; K190-L195 HydrophobicContact CD-CD1 4.01Å; V193-L195 HydrophobicContact CG2-CD2 4.18Å; L195-G197 PolarHBondContact O-N 3.24Å; L195-E198 HydrophobicContact CB-CG 4.37Å; L195-E198 WeakPolarHBondContact CB-OE2 3.37Å; L195-E198 PolarHBondContact N-OE2 3Å; L195-E198 WeakPolarHBondContact O-CB 3.29Å; L195-E198 PolarHBondContact O-N 2.84Å
196F92.4Very high95.3Very high85 Ų8562.1 Ų62.137%0.37332%0.319SS..BIsolated β-bridgetrans-55.2130.3170.9-71.7-69.7000110.3F82 T83 I84 V227F82-F196 HydrophobicContact CB-CD2 3.99Å; F82-F196 HydrophobicContact CB-CE2 4.27Å; F82-F196 WeakPolarHBondContact O-CD2 3.48Å; F82-F196 PolarHBondContact O-N 3.39Å; T83-F196 WeakPolarHBondContact CA-O 3.31Å; T83-F196 HydrophobicContact CG2-CB 4Å; I84-F196 WeakPolarHBondContact CG2-O 3.22Å; I84-F196 PolarHBondContact N-O 3.13Å; F196-V227 HydrophobicContact CE1-CG1 4.12Å; F196-V227 HydrophobicContact CZ-CG2 4.46Å
197G92.7Very high95Very high76 Ų7657.5 Ų57.578%0.78431%0.307SS*.THydrogen-bonded Turntrans95.7-6.6-173.100000114.3L195L195-G197 PolarHBondContact O-N 3.24Å
198E94.5Very high94.9Very high65 Ų6554.5 Ų54.530%0.30429%0.29SS..SBendtrans-96.9155.9172.7-57.6-171.1111.800112.3I84 K190 V194 L195I84-E198 HydrophobicContact CB-CG 3.76Å; I84-E198 HydrophobicContact CD1-CG 4.26Å; I84-E198 WeakPolarHBondContact CD1-OE1 3.25Å; I84-E198 HydrophobicContact CG1-CG 3.89Å; I84-E198 HydrophobicContact CG2-CG 4.16Å; K190-E198 VanDerWaalsContact CE-OE1 3.23Å; K190-E198 WeakPolarHBondContact CE-OE1 3.32Å; K190-E198 WeakPolarHBondContact CE-OE2 3.44Å; K190-E198 IonicContact NZ-OE1 2.72Å; K190-E198 IonicContact NZ-OE2 3.56Å; K190-E198 PolarHBondContact NZ-OE2 3.44Å; K190-E198 VanDerWaalsContact NZ-OE2 3.17Å; V194-E198 HydrophobicContact CG1-CB 4.1Å; L195-E198 HydrophobicContact CB-CG 4.37Å; L195-E198 WeakPolarHBondContact CB-OE2 3.37Å; L195-E198 PolarHBondContact N-OE2 3Å; L195-E198 WeakPolarHBondContact O-CB 3.29Å; L195-E198 PolarHBondContact O-N 2.84Å
199S93.7Very high94.8Very high113 Ų11356.3 Ų56.379%0.7930%0.304SS*.PPolyproline II helixtrans-75.3141.5171.2-62.20000111
200M93.5Very high94.7Very high19 Ų1959.5 Ų59.59%0.09433%0.326CS..PPolyproline II helixtrans-61.3154.1172.4-59.6-71.3-84.600111.4A149 V194 F204 F205 P229A149-M200 HydrophobicContact CB-CE 3.5Å; A149-M200 WeakPolarHBondContact O-CE 3.3Å; V194-M200 HydrophobicContact CG1-SD 4.08Å; V194-M200 HydrophobicContact CG2-SD 4.5Å; M200-F204 HydrophobicContact CB-CB 4.25Å; M200-F204 HydrophobicContact CB-CD1 4.13Å; M200-F204 HydrophobicContact CB-CG 4.27Å; M200-F204 HydrophobicContact CE-CD2 4.01Å; M200-F204 HydrophobicContact CE-CE2 4.08Å; M200-F204 HydrophobicContact CE-CG 4.26Å; M200-F204 HydrophobicContact CE-CZ 4.4Å; M200-F205 HydrophobicContact CB-CE2 3.77Å; M200-F205 HydrophobicContact CB-CZ 4.01Å; M200-F205 HydrophobicContact CG-CZ 4.48Å; M200-P229 HydrophobicContact CE-CG 4.5Å; M200-P229 HydrophobicContact CG-CG 3.72Å
201P93.7Very high94.7Very high42 Ų4259 Ų5927%0.27333%0.325SS..PPolyproline II helixtrans-61.1147.7-177.8-21.234.5000111.2A149 V194 K203 F204A149-P201 WeakPolarHBondContact O-CD 3.38Å; V194-P201 HydrophobicContact CG2-CG 4.04Å; P201-K203 PolarHBondContact O-N 3.16Å; P201-F204 WeakPolarHBondContact O-CB 3.34Å; P201-F204 PolarHBondContact O-N 3.34Å
202K94.5Very high94.6Very high193 Ų19359 Ų5984%0.83933%0.325SS*.Hα-helixtrans-53.9-33.3177.9-66.8-177.9-179.6178.20112.8F204 F205 K206K202-F204 PolarHBondContact O-N 3.43Å; K202-F205 PolarHBondContact O-N 2.72Å; K202-K206 PolarHBondContact O-N 3.41Å
203K94Very high94.6Very high70 Ų7062.5 Ų62.530%0.30434%0.343SS..Hα-helixtrans-59-33.6177-165.4-179-173.5-169.30112.2E143 L146 P201 F205 K206E143-K203 VanDerWaalsContact CD-NZ 3.35Å; E143-K203 PolarHBondContact O-NZ 2.88Å; E143-K203 IonicContact OE1-NZ 3.83Å; E143-K203 PolarHBondContact OE1-NZ 2.71Å; L146-K203 WeakPolarHBondContact O-CE 3.29Å; L146-K203 PolarHBondContact O-NZ 3.14Å; P201-K203 PolarHBondContact O-N 3.16Å; K203-F205 VanDerWaalsContact C-N 3.33Å; K203-F205 PolarHBondContact O-N 3.05Å; K203-K206 PolarHBondContact O-N 2.8Å
204F95.6Very high94.6Very high2 Ų264.8 Ų64.81%0.00936%0.355CS..Hα-helixtrans-57.8-45.6175.9179-97.9000111.7Y128 V147 A149 M200 P201 K202 L208 P229 F230 M233Y128-F204 HydrophobicContact CD1-CD2 4.11Å; Y128-F204 HydrophobicContact CD1-CE2 4.09Å; Y128-F204 HydrophobicContact CE1-CD2 4.3Å; Y128-F204 HydrophobicContact CE1-CE2 4.39Å; V147-F204 HydrophobicContact CG1-CB 4.24Å; V147-F204 HydrophobicContact CG1-CD2 4.09Å; A149-F204 HydrophobicContact CB-CD2 3.61Å; A149-F204 HydrophobicContact CB-CE2 3.86Å; M200-F204 HydrophobicContact CB-CB 4.25Å; M200-F204 HydrophobicContact CB-CD1 4.13Å; M200-F204 HydrophobicContact CB-CG 4.27Å; M200-F204 HydrophobicContact CE-CD2 4.01Å; M200-F204 HydrophobicContact CE-CE2 4.08Å; M200-F204 HydrophobicContact CE-CG 4.26Å; M200-F204 HydrophobicContact CE-CZ 4.4Å; P201-F204 WeakPolarHBondContact O-CB 3.34Å; P201-F204 PolarHBondContact O-N 3.34Å; K202-F204 PolarHBondContact O-N 3.43Å; F204-L208 HydrophobicContact CD1-CD2 4.29Å; F204-L208 HydrophobicContact CE1-CD2 3.76Å; F204-L208 HydrophobicContact CZ-CD2 4.22Å; F204-L208 WeakPolarHBondContact O-CB 3.44Å; F204-P229 HydrophobicContact CE1-CG 4.01Å; F204-P229 HydrophobicContact CZ-CG 4.33Å; F204-F230 HydrophobicContact CE2-CD2 4.23Å; F204-M233 HydrophobicContact CE2-SD 3.58Å; F204-M233 VanDerWaalsContact CE2-SD 3.58Å; F204-M233 HydrophobicContact CZ-CG 4.18Å; F204-M233 HydrophobicContact CZ-SD 3.62Å
205F95.3Very high94.6Very high109 Ų10963.6 Ų63.648%0.47835%0.348SS..Hα-helixtrans-85.4-24.9-177.3-58.3-74000113.9M200 K202 K203 N207 L208M200-F205 HydrophobicContact CB-CE2 3.77Å; M200-F205 HydrophobicContact CB-CZ 4.01Å; M200-F205 HydrophobicContact CG-CZ 4.48Å; K202-F205 PolarHBondContact O-N 2.72Å; K203-F205 VanDerWaalsContact C-N 3.33Å; K203-F205 PolarHBondContact O-N 3.05Å; F205-N207 VanDerWaalsContact C-N 3.33Å; F205-N207 PolarHBondContact O-N 3.19Å; F205-N207 VanDerWaalsContact O-N 3.17Å; F205-L208 HydrophobicContact CD1-CD2 4.16Å; F205-L208 PolarHBondContact O-N 3Å
206K94Very high94.8Very high164 Ų16465.1 Ų65.171%0.71336%0.356SS*.Hα-helixtrans-47-50.5-169.9-176.1-179.5178-1790113.7K202 K203K202-K206 PolarHBondContact O-N 3.41Å; K203-K206 PolarHBondContact O-N 2.8Å
207N91.6Very high95Very high64 Ų6461 Ų6134%0.34234%0.338SS..THydrogen-bonded Turntrans-1132.8-178.8-65.6-27.6000113R126 F205 S209 S210 D211R126-N207 PolarHBondContact NH2-ND2 3.1Å; F205-N207 VanDerWaalsContact C-N 3.33Å; F205-N207 PolarHBondContact O-N 3.19Å; F205-N207 VanDerWaalsContact O-N 3.17Å; N207-S209 PolarHBondContact O-N 3.01Å; N207-S210 PolarHBondContact O-N 2.87Å; N207-D211 WeakPolarHBondContact CB-OD2 3.35Å; N207-D211 WeakPolarHBondContact O-CB 3.3Å; N207-D211 PolarHBondContact O-N 2.82Å
208L95.4Very high95.3Very high4 Ų457.4 Ų57.42%0.02130%0.301CS..Hα-helixtrans-53.7-48.2-168.1-173.959.9000113.4Y128 F204 F205 L212 M233Y128-L208 HydrophobicContact CE1-CD1 3.88Å; F204-L208 HydrophobicContact CD1-CD2 4.29Å; F204-L208 HydrophobicContact CE1-CD2 3.76Å; F204-L208 HydrophobicContact CZ-CD2 4.22Å; F204-L208 WeakPolarHBondContact O-CB 3.44Å; F205-L208 HydrophobicContact CD1-CD2 4.16Å; F205-L208 PolarHBondContact O-N 3Å; L208-L212 HydrophobicContact CD1-CD1 3.59Å; L208-L212 HydrophobicContact CD1-CG 4.05Å; L208-L212 HydrophobicContact CG-CD1 3.78Å; L208-L212 WeakPolarHBondContact O-CB 3.13Å; L208-L212 WeakPolarHBondContact O-CD1 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.34Å; L208-L212 PolarHBondContact O-N 3.4Å; L208-M233 HydrophobicContact CD1-CE 3.72Å; L208-M233 HydrophobicContact CD1-CG 4.17Å; L208-M233 HydrophobicContact CD1-SD 4.07Å
209S95.3Very high95.5Very high65 Ų6554.3 Ų54.346%0.45529%0.287SS..Hα-helixtrans-64-45179.4-166.40000111.7N207 N213N207-S209 PolarHBondContact O-N 3.01Å; S209-N213 VanDerWaalsContact O-CB 3.3Å; S209-N213 WeakPolarHBondContact O-CB 3.34Å; S209-N213 PolarHBondContact O-N 3.14Å; S209-N213 PolarHBondContact O-ND2 3.47Å
210S96.4Very high95.7Very high67 Ų6749 Ų4947%0.46925%0.249SC..Hα-helixtrans-64.6-46.5179-173.50000111.5N207 N213 N214N207-S210 PolarHBondContact O-N 2.87Å; S210-N213 PolarHBondContact O-N 2.63Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 2.81Å; S210-N214 VanDerWaalsContact O-N 3.14Å; S210-N214 PolarHBondContact O-ND2 2.89Å
211D97.6Very high95.9Very high5 Ų548 Ų483%0.02724%0.244CC..Hα-helixtrans-60.9-52-179.1-71.3-20.8000109.7I43 L125 R126 Y128 N207 N213 N214 C215I43-D211 HydrophobicContact CD1-CB 3.93Å; I43-D211 WeakPolarHBondContact CD1-O 3.28Å; L125-D211 HydrophobicContact CD2-CB 4.32Å; L125-D211 WeakPolarHBondContact CD2-O 3.19Å; R126-D211 WeakPolarHBondContact CG-OD2 3.26Å; R126-D211 IonicContact CZ-OD1 3.4Å; R126-D211 IonicContact CZ-OD2 2.8Å; R126-D211 IonicContact NE-OD1 3.33Å; R126-D211 IonicContact NE-OD2 2.54Å; R126-D211 PolarHBondContact NE-OD2 2.8Å; R126-D211 IonicContact NH2-OD1 4Å; R126-D211 PolarHBondContact NH2-OD1 2.77Å; R126-D211 IonicContact NH2-OD2 3.36Å; R126-D211 PolarHBondContact NH2-OD2 2.83Å; Y128-D211 PolarHBondContact OH-OD2 3.31Å; Y128-D211 VanDerWaalsContact OH-OD2 3.05Å; N207-D211 WeakPolarHBondContact CB-OD2 3.35Å; N207-D211 WeakPolarHBondContact O-CB 3.3Å; N207-D211 PolarHBondContact O-N 2.82Å; D211-N213 PolarHBondContact O-N 3.49Å; D211-N214 CarbonylContact O-C 3.55Å; D211-N214 PolarHBondContact O-N 3.44Å; D211-N214 VanDerWaalsContact O-N 3.12Å; D211-C215 PolarHBondContact O-N 2.96Å; D211-C215 VanDerWaalsContact O-N 3.11Å
212L95.6Very high96.1Very high1 Ų146.3 Ų46.31%0.00523%0.234CC..Hα-helixtrans-64.6-36.2-178-64.5170.8000113.5I43 L208 N214 C215 M233 R236 V237I43-L212 HydrophobicContact CD1-CD2 4.11Å; L208-L212 HydrophobicContact CD1-CD1 3.59Å; L208-L212 HydrophobicContact CD1-CG 4.05Å; L208-L212 HydrophobicContact CG-CD1 3.78Å; L208-L212 WeakPolarHBondContact O-CB 3.13Å; L208-L212 WeakPolarHBondContact O-CD1 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.34Å; L208-L212 PolarHBondContact O-N 3.4Å; L212-N214 VanDerWaalsContact C-N 3.27Å; L212-N214 PolarHBondContact O-N 3.11Å; L212-C215 PolarHBondContact O-N 3.12Å; L212-M233 HydrophobicContact CD2-CB 4.41Å; L212-M233 HydrophobicContact CD2-CE 4.2Å; L212-R236 HydrophobicContact CD1-CB 3.68Å; L212-V237 HydrophobicContact CD2-CG1 3.71Å
213N94.9Very high96.2Very high120 Ų12037.3 Ų37.364%0.64220%0.195SC*.Hα-helixtrans-69.3-25175.8-73.5-16.6000113.2S209 S210 D211S209-N213 VanDerWaalsContact O-CB 3.3Å; S209-N213 WeakPolarHBondContact O-CB 3.34Å; S209-N213 PolarHBondContact O-N 3.14Å; S209-N213 PolarHBondContact O-ND2 3.47Å; S210-N213 PolarHBondContact O-N 2.63Å; D211-N213 PolarHBondContact O-N 3.49Å
214N95.7Very high96.1Very high60 Ų6035.7 Ų35.732%0.32119%0.193SC..THydrogen-bonded Turntrans-101.95.6-178.1-79.2-81.3000113K41 L125 S210 D211 L212K41-N214 VanDerWaalsContact CB-O 3.24Å; K41-N214 WeakPolarHBondContact CB-O 3.32Å; K41-N214 HydrophobicContact CD-CB 4.03Å; K41-N214 WeakPolarHBondContact CD-O 3.2Å; K41-N214 PolarHBondContact NZ-OD1 2.92Å; L125-N214 HydrophobicContact CD2-CB 4.13Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 2.81Å; S210-N214 VanDerWaalsContact O-N 3.14Å; S210-N214 PolarHBondContact O-ND2 2.89Å; D211-N214 CarbonylContact O-C 3.55Å; D211-N214 PolarHBondContact O-N 3.44Å; D211-N214 VanDerWaalsContact O-N 3.12Å; L212-N214 VanDerWaalsContact C-N 3.27Å; L212-N214 PolarHBondContact O-N 3.11Å
215C96.6Very high96Very high5 Ų535.7 Ų35.73%0.03419%0.193CC..  trans-75.1127-177.5-174.90000110.8I43 D211 L212 L217 V237 V241I43-C215 HydrophobicContact CD1-CB 3.74Å; I43-C215 HydrophobicContact CG1-CB 4.12Å; D211-C215 PolarHBondContact O-N 2.96Å; D211-C215 VanDerWaalsContact O-N 3.11Å; L212-C215 PolarHBondContact O-N 3.12Å; C215-L217 PolarHBondContact SG-O 3.42Å; C215-V237 HydrophobicContact CB-CG1 4.19Å; C215-V241 WeakPolarHBondContact O-CG2 2.99Å
216D96.8Very high95.6Very high38 Ų3833.8 Ų33.820%0.20319%0.19CC..SBendtrans-96-26.1174.8-56.9-32000111.8P20 V39 N40 K41 P242P20-D216 HydrophobicContact CG-CB 4.41Å; V39-D216 HydrophobicContact CB-CB 4.44Å; V39-D216 HydrophobicContact CG1-CB 4.2Å; V39-D216 HydrophobicContact CG2-CB 4.43Å; N40-D216 PolarHBondContact N-OD2 2.75Å; K41-D216 WeakPolarHBondContact CB-OD2 3.47Å; K41-D216 PolarHBondContact N-OD2 3.5Å; K41-D216 PolarHBondContact O-N 2.86Å; D216-P242 WeakPolarHBondContact O-CD 3.35Å
217L97.9Very high95.4Very high0 Ų026.6 Ų26.60%016%0.16CC..EExtended strand (participates in β ladder)trans-152.1129.6179171.766.7000109.7V30 I34 V39 I42 I43 C215 I219 P242V30-L217 HydrophobicContact CG1-CD1 3.87Å; V30-L217 HydrophobicContact CG1-CD2 3.77Å; I34-L217 HydrophobicContact CD1-CD2 3.92Å; I34-L217 HydrophobicContact CG1-CD2 4.14Å; V39-L217 HydrophobicContact CB-CB 4.49Å; V39-L217 HydrophobicContact CG1-CB 3.6Å; V39-L217 HydrophobicContact CG1-CD2 4.04Å; V39-L217 HydrophobicContact CG1-CG 4.48Å; V39-L217 HydrophobicContact CG2-CB 4.01Å; I42-L217 WeakPolarHBondContact CA-O 3.5Å; I42-L217 HydrophobicContact CD1-CD2 4.11Å; I42-L217 HydrophobicContact CG1-CB 4.27Å; I42-L217 HydrophobicContact CG1-CD2 4.21Å; I43-L217 PolarHBondContact N-O 2.72Å; C215-L217 PolarHBondContact SG-O 3.42Å; L217-I219 HydrophobicContact CD2-CD1 4.04Å; L217-I219 HydrophobicContact CD2-CG1 4.04Å; L217-I219 HydrophobicContact CG-CG1 4.01Å; L217-P242 HydrophobicContact CD1-CB 3.86Å
218L98.1Very high95.3Very high0 Ų028.6 Ų28.60%017%0.17CC..EExtended strand (participates in β ladder)trans-101.5124172.5-175.566.2000109.9I43 M45 I220 I234 V237 P242 R243 L244I43-L218 HydrophobicContact CB-CD1 3.84Å; I43-L218 HydrophobicContact CG2-CD1 3.67Å; I43-L218 WeakPolarHBondContact O-CA 3.46Å; M45-L218 HydrophobicContact CG-CD1 4Å; M45-L218 HydrophobicContact SD-CD1 3.85Å; M45-L218 HydrophobicContact SD-CD2 4.19Å; L218-I220 HydrophobicContact CD2-CD1 3.99Å; L218-I220 HydrophobicContact CD2-CG1 4.08Å; L218-I220 HydrophobicContact CG-CD1 4.41Å; L218-I220 HydrophobicContact CG-CG1 4Å; L218-I234 HydrophobicContact CD2-CB 4.26Å; L218-I234 HydrophobicContact CD2-CG2 4.17Å; L218-V237 HydrophobicContact CD2-CG1 4.22Å; L218-V237 HydrophobicContact CD2-CG2 4.41Å; L218-P242 PolarHBondContact N-O 2.71Å; L218-R243 HydrophobicContact CB-CB 4.5Å; L218-R243 HydrophobicContact CB-CG 4.14Å; L218-R243 HydrophobicContact CD2-CG 4.14Å; L218-R243 CarbonylContact O-C 3.4Å; L218-R243 WeakPolarHBondContact O-CA 3.42Å; L218-L244 PolarHBondContact O-N 2.96Å
219I98.6Very high95.1Very high0 Ų030.8 Ų30.80%019%0.185CC..EExtended strand (participates in β ladder)trans-112.3116.5174.1-55.9-179.8000109.1I42 I43 T44 M45 F114 L118 L217 M221 L244I42-I219 HydrophobicContact CG2-CD1 3.74Å; I42-I219 HydrophobicContact CG2-CG1 3.91Å; I43-I219 PolarHBondContact O-N 3.34Å; T44-I219 CarbonylContact C-O 2.95Å; T44-I219 VanDerWaalsContact CA-O 3.23Å; T44-I219 WeakPolarHBondContact CA-O 3.38Å; T44-I219 HydrophobicContact CG2-CB 4.11Å; M45-I219 PolarHBondContact N-O 3.43Å; F114-I219 HydrophobicContact CE1-CD1 4.22Å; L118-I219 HydrophobicContact CD1-CD1 4.3Å; L217-I219 HydrophobicContact CD2-CD1 4.04Å; L217-I219 HydrophobicContact CD2-CG1 4.04Å; L217-I219 HydrophobicContact CG-CG1 4.01Å; I219-M221 HydrophobicContact CG2-CG 3.81Å; I219-M221 HydrophobicContact CG2-SD 3.97Å; I219-L244 CarbonylContact C-O 3.57Å; I219-L244 WeakPolarHBondContact CA-O 3.3Å
220I98.5Very high95Very high0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-107128.3-179.1-53.6164.8000107.7M45 L218 T223 L225 I234 L244 Y245 I246 M260M45-I220 HydrophobicContact CB-CG1 4.4Å; M45-I220 CarbonylContact O-C 3.48Å; M45-I220 VanDerWaalsContact O-CA 3.29Å; M45-I220 WeakPolarHBondContact O-CA 3.49Å; L218-I220 HydrophobicContact CD2-CD1 3.99Å; L218-I220 HydrophobicContact CD2-CG1 4.08Å; L218-I220 HydrophobicContact CG-CD1 4.41Å; L218-I220 HydrophobicContact CG-CG1 4Å; I220-T223 HydrophobicContact CG2-CG2 3.37Å; I220-L225 HydrophobicContact CD1-CD1 4.32Å; I220-L225 HydrophobicContact CG2-CD1 4.26Å; I220-L225 HydrophobicContact CG2-CD2 3.97Å; I220-L225 HydrophobicContact CG2-CG 4.29Å; I220-I234 HydrophobicContact CD1-CB 4.48Å; I220-I234 HydrophobicContact CD1-CG2 3.69Å; I220-L244 PolarHBondContact N-O 3.16Å; I220-Y245 HydrophobicContact CB-CD2 3.77Å; I220-Y245 HydrophobicContact CB-CE2 4.46Å; I220-Y245 HydrophobicContact CB-CG 4.27Å; I220-Y245 HydrophobicContact CG2-CD2 3.57Å; I220-Y245 HydrophobicContact CG2-CE2 3.76Å; I220-Y245 HydrophobicContact CG2-CG 4.35Å; I220-Y245 CarbonylContact O-C 3.57Å; I220-Y245 WeakPolarHBondContact O-CA 3.38Å; I220-I246 PolarHBondContact O-N 3.29Å; I220-M260 HydrophobicContact CD1-SD 3.91Å
221M98.5Very high94.8Very high0 Ų024.5 Ų24.50%014%0.141CC..EExtended strand (participates in β ladder)trans-138.5135.7-178-49.2-177.3-73.700112.7M45 V46 G47 V50 I115 I219 T223 I246 V281M45-M221 PolarHBondContact O-N 2.9Å; V46-M221 VanDerWaalsContact CA-O 3.25Å; V46-M221 WeakPolarHBondContact CA-O 3.43Å; V46-M221 HydrophobicContact CG1-CB 4.11Å; V46-M221 HydrophobicContact CG1-CE 3.75Å; G47-M221 PolarHBondContact N-O 2.6Å; V50-M221 HydrophobicContact CG1-CB 3.71Å; I115-M221 HydrophobicContact CD1-CE 3.73Å; I115-M221 HydrophobicContact CG1-CE 3.75Å; I219-M221 HydrophobicContact CG2-CG 3.81Å; I219-M221 HydrophobicContact CG2-SD 3.97Å; M221-T223 VanDerWaalsContact C-N 3.28Å; M221-T223 PolarHBondContact O-N 2.85Å; M221-I246 VanDerWaalsContact CA-O 3.31Å; M221-I246 WeakPolarHBondContact CA-O 3.43Å; M221-I246 HydrophobicContact CG-CB 4.15Å; M221-I246 HydrophobicContact CG-CD1 4.41Å; M221-I246 HydrophobicContact SD-CD1 4.3Å; M221-V281 HydrophobicContact SD-CG1 3.55Å; M221-V281 VanDerWaalsContact SD-CG1 3.55Å
222G97.2Very high94.5Very high5 Ų525.1 Ų25.15%0.05215%0.146CC..SBendtrans60.131.7167.500000115.1G47 A48 G49 I246 N247G47-G222 CarbonylContact C-O 3.59Å; G47-G222 VanDerWaalsContact CA-O 3.28Å; G47-G222 WeakPolarHBondContact CA-O 3.46Å; A48-G222 PolarHBondContact N-O 2.79Å; G49-G222 WeakPolarHBondContact CA-O 3.33Å; G49-G222 PolarHBondContact N-O 3.37Å; G222-I246 PolarHBondContact N-O 3.24Å; G222-I246 VanDerWaalsContact N-O 3.15Å; G222-N247 VanDerWaalsContact CA-OD1 3.32Å; G222-N247 WeakPolarHBondContact CA-OD1 3.39Å
223T95.5Very high94.4Very high5 Ų525.1 Ų25.13%0.03115%0.146CC..  trans-132.6139.3178.8170.20000109.8Q130 I220 M221 L225 Y245Q130-T223 VanDerWaalsContact NE2-CB 3.29Å; Q130-T223 PolarHBondContact NE2-OG1 3.17Å; I220-T223 HydrophobicContact CG2-CG2 3.37Å; M221-T223 VanDerWaalsContact C-N 3.28Å; M221-T223 PolarHBondContact O-N 2.85Å; T223-L225 HydrophobicContact CG2-CD2 3.85Å; T223-L225 HydrophobicContact CG2-CG 4.14Å; T223-L225 PolarHBondContact O-N 3.07Å; T223-L225 PolarHBondContact OG1-N 2.69Å; T223-L225 VanDerWaalsContact OG1-N 3.13Å; T223-Y245 WeakPolarHBondContact O-CE2 3.37Å; T223-Y245 PolarHBondContact O-OH 3.21Å
224S92.2Very high94.4Very high35 Ų3519.4 Ų19.425%0.24512%0.116CC..  trans-77-4.9174.659.90000113.9T226 N251S224-T226 WeakPolarHBondContact O-CG2 3.1Å; S224-T226 PolarHBondContact O-N 3.49Å; S224-T226 PolarHBondContact OG-OG1 3.21Å; S224-N251 VanDerWaalsContact O-CB 3.29Å; S224-N251 WeakPolarHBondContact O-CB 3.41Å; S224-N251 PolarHBondContact O-ND2 3.24Å
225L93.2Very high94.1Very high2 Ų217.2 Ų17.21%0.0110%0.104CC..SBendtrans54.435-176.9-62.6173.5000114.4M45 I220 T223 C231 I234 Y245 M260M45-L225 HydrophobicContact CE-CD2 4.44Å; I220-L225 HydrophobicContact CD1-CD1 4.32Å; I220-L225 HydrophobicContact CG2-CD1 4.26Å; I220-L225 HydrophobicContact CG2-CD2 3.97Å; I220-L225 HydrophobicContact CG2-CG 4.29Å; T223-L225 HydrophobicContact CG2-CD2 3.85Å; T223-L225 HydrophobicContact CG2-CG 4.14Å; T223-L225 PolarHBondContact O-N 3.07Å; T223-L225 PolarHBondContact OG1-N 2.69Å; T223-L225 VanDerWaalsContact OG1-N 3.13Å; L225-C231 VanDerWaalsContact C-CB 3.45Å; L225-C231 HydrophobicContact CB-CB 4.06Å; L225-C231 HydrophobicContact CD2-CB 4.4Å; L225-C231 WeakPolarHBondContact O-CB 3.34Å; L225-I234 HydrophobicContact CD1-CD1 4.04Å; L225-I234 HydrophobicContact CD1-CG2 4.46Å; L225-I234 HydrophobicContact CD2-CG2 4.04Å; L225-Y245 HydrophobicContact CD1-CD1 4.5Å; L225-Y245 HydrophobicContact CD1-CE1 4.03Å; L225-M260 HydrophobicContact CD1-SD 4.37Å
226T88.7Confident93.8Very high69 Ų6922.8 Ų22.842%0.42312%0.124SC..  trans-103.4-7.4-17751.70000114.8R60 S224R60-T226 VanDerWaalsContact CZ-OG1 3.32Å; R60-T226 PolarHBondContact NE-OG1 2.66Å; S224-T226 WeakPolarHBondContact O-CG2 3.1Å; S224-T226 PolarHBondContact O-N 3.49Å; S224-T226 PolarHBondContact OG-OG1 3.21Å
227V88.2Confident93.7Very high14 Ų1421.1 Ų21.19%0.08512%0.115CC..SBendtrans-105.8115.1-174.2-177.70000110.7F196 F230 C231F196-V227 HydrophobicContact CE1-CG1 4.12Å; F196-V227 HydrophobicContact CZ-CG2 4.46Å; V227-F230 WeakPolarHBondContact O-CB 3.21Å; V227-F230 PolarHBondContact O-N 3.11Å; V227-F230 VanDerWaalsContact O-N 3.13Å; V227-C231 PolarHBondContact O-N 3.35Å; V227-C231 PolarHBondContact O-SG 3.23Å
228L89.8Confident93.3Very high106 Ų10622.4 Ų22.456%0.55513%0.128SC*.THydrogen-bonded Turntrans-76.8149169.3-76.7170.5000110.9F230 A232 T255L228-F230 VanDerWaalsContact C-N 3.34Å; L228-A232 HydrophobicContact CD2-CB 3.7Å; L228-T255 HydrophobicContact CD1-CG2 4.22Å; L228-T255 HydrophobicContact CD2-CG2 4.02Å; L228-T255 HydrophobicContact CG-CG2 4.1Å
229P91.4Very high93Very high50 Ų5027.9 Ų27.933%0.32516%0.157SC..THydrogen-bonded Turncis-84.60.7-1.434.9-36.1000113.8M200 F204 C231 A232M200-P229 HydrophobicContact CE-CG 4.5Å; M200-P229 HydrophobicContact CG-CG 3.72Å; F204-P229 HydrophobicContact CE1-CG 4.01Å; F204-P229 HydrophobicContact CZ-CG 4.33Å; P229-C231 PolarHBondContact O-N 3.3Å; P229-A232 PolarHBondContact O-N 2.92Å
230F93.6Very high92.6Very high0 Ų032 Ų320%018%0.18CC..THydrogen-bonded Turntrans-58.7-48.1-173.5-170.2-88.6000112.6M45 V46 Q130 A149 F204 V227 L228 A232 M233M45-F230 HydrophobicContact CB-CE1 4.01Å; M45-F230 HydrophobicContact CB-CZ 3.95Å; M45-F230 HydrophobicContact CE-CD1 3.63Å; M45-F230 HydrophobicContact CE-CE1 3.42Å; M45-F230 VanDerWaalsContact CE-CE1 3.42Å; M45-F230 HydrophobicContact CE-CG 4.36Å; M45-F230 HydrophobicContact CE-CZ 4Å; M45-F230 WeakPolarHBondContact CE-O 3.45Å; M45-F230 HydrophobicContact CG-CE1 4.43Å; M45-F230 HydrophobicContact CG-CZ 4.23Å; V46-F230 WeakPolarHBondContact O-CZ 3.48Å; Q130-F230 VanDerWaalsContact CD-CD1 3.4Å; Q130-F230 HydrophobicContact CG-CB 4.29Å; Q130-F230 HydrophobicContact CG-CD1 3.58Å; Q130-F230 HydrophobicContact CG-CD2 3.59Å; Q130-F230 HydrophobicContact CG-CE1 3.65Å; Q130-F230 HydrophobicContact CG-CE2 3.65Å; Q130-F230 HydrophobicContact CG-CG 3.55Å; Q130-F230 HydrophobicContact CG-CZ 3.69Å; A149-F230 HydrophobicContact CB-CD2 3.56Å; A149-F230 HydrophobicContact CB-CE2 3.8Å; F204-F230 HydrophobicContact CE2-CD2 4.23Å; V227-F230 WeakPolarHBondContact O-CB 3.21Å; V227-F230 PolarHBondContact O-N 3.11Å; V227-F230 VanDerWaalsContact O-N 3.13Å; L228-F230 VanDerWaalsContact C-N 3.34Å; F230-A232 VanDerWaalsContact C-N 3.27Å; F230-A232 PolarHBondContact O-N 3.2Å; F230-M233 HydrophobicContact CD2-SD 4.36Å; F230-M233 WeakPolarHBondContact O-CB 3.4Å; F230-M233 VanDerWaalsContact O-CG 3.3Å; F230-M233 WeakPolarHBondContact O-CG 3.44Å; F230-M233 PolarHBondContact O-N 3Å
231C92.7Very high92.5Very high0 Ų032.6 Ų32.60%018%0.183CC..G310 helixtrans-64-29.3-179.462.50000113.7L225 V227 P229 M233 I234L225-C231 VanDerWaalsContact C-CB 3.45Å; L225-C231 HydrophobicContact CB-CB 4.06Å; L225-C231 HydrophobicContact CD2-CB 4.4Å; L225-C231 WeakPolarHBondContact O-CB 3.34Å; V227-C231 PolarHBondContact O-N 3.35Å; V227-C231 PolarHBondContact O-SG 3.23Å; P229-C231 PolarHBondContact O-N 3.3Å; C231-M233 PolarHBondContact O-N 2.86Å; C231-M233 VanDerWaalsContact O-N 3.16Å; C231-I234 VanDerWaalsContact O-CG1 3.3Å; C231-I234 WeakPolarHBondContact O-CG1 3.1Å; C231-I234 PolarHBondContact O-N 3.32Å
232A91.7Very high92.4Very high17 Ų1732.6 Ų32.614%0.1418%0.183CC..G310 helixtrans-68.5-13179.500000113.6L228 P229 F230 I234 H235L228-A232 HydrophobicContact CD2-CB 3.7Å; P229-A232 PolarHBondContact O-N 2.92Å; F230-A232 VanDerWaalsContact C-N 3.27Å; F230-A232 PolarHBondContact O-N 3.2Å; A232-I234 PolarHBondContact O-N 3.19Å; A232-H235 PolarHBondContact O-N 3.49Å
233M93.4Very high92.4Very high2 Ų232.5 Ų32.51%0.0118%0.181CC..G310 helixtrans-61.4-31.3175.6-65.2175.752.700112.5M45 Y128 F204 L208 L212 F230 C231 H235 R236M45-M233 HydrophobicContact CE-CB 3.71Å; M45-M233 HydrophobicContact CE-CE 4.44Å; M45-M233 HydrophobicContact CE-CG 4.34Å; M45-M233 HydrophobicContact CE-SD 4.09Å; M45-M233 HydrophobicContact CG-CE 4.17Å; M45-M233 HydrophobicContact SD-CB 3.75Å; M45-M233 HydrophobicContact SD-CE 4.01Å; M45-M233 HydrophobicContact SD-SD 4.43Å; Y128-M233 HydrophobicContact CD1-CE 3.65Å; Y128-M233 HydrophobicContact CD1-SD 4.11Å; Y128-M233 HydrophobicContact CD2-CE 3.67Å; Y128-M233 HydrophobicContact CE1-CE 3.81Å; Y128-M233 HydrophobicContact CE1-SD 4.46Å; Y128-M233 HydrophobicContact CE2-CE 3.8Å; Y128-M233 HydrophobicContact CG-CE 3.58Å; Y128-M233 HydrophobicContact CG-SD 4.39Å; F204-M233 HydrophobicContact CE2-SD 3.58Å; F204-M233 VanDerWaalsContact CE2-SD 3.58Å; F204-M233 HydrophobicContact CZ-CG 4.18Å; F204-M233 HydrophobicContact CZ-SD 3.62Å; L208-M233 HydrophobicContact CD1-CE 3.72Å; L208-M233 HydrophobicContact CD1-CG 4.17Å; L208-M233 HydrophobicContact CD1-SD 4.07Å; L212-M233 HydrophobicContact CD2-CB 4.41Å; L212-M233 HydrophobicContact CD2-CE 4.2Å; F230-M233 HydrophobicContact CD2-SD 4.36Å; F230-M233 WeakPolarHBondContact O-CB 3.4Å; F230-M233 VanDerWaalsContact O-CG 3.3Å; F230-M233 WeakPolarHBondContact O-CG 3.44Å; F230-M233 PolarHBondContact O-N 3Å; C231-M233 PolarHBondContact O-N 2.86Å; C231-M233 VanDerWaalsContact O-N 3.16Å; M233-H235 PolarHBondContact O-N 3.13Å; M233-H235 VanDerWaalsContact O-N 3.16Å; M233-R236 PolarHBondContact O-N 3.45Å
234I93.5Very high92.5Very high0 Ų032.2 Ų32.20%018%0.18CC..G310 helixtrans-63.8-22.5-179.278-171.2000112.3M45 L218 I220 L225 C231 A232 R243 M260M45-I234 HydrophobicContact CE-CG2 3.95Å; M45-I234 HydrophobicContact SD-CG2 4.02Å; L218-I234 HydrophobicContact CD2-CB 4.26Å; L218-I234 HydrophobicContact CD2-CG2 4.17Å; I220-I234 HydrophobicContact CD1-CB 4.48Å; I220-I234 HydrophobicContact CD1-CG2 3.69Å; L225-I234 HydrophobicContact CD1-CD1 4.04Å; L225-I234 HydrophobicContact CD1-CG2 4.46Å; L225-I234 HydrophobicContact CD2-CG2 4.04Å; C231-I234 VanDerWaalsContact O-CG1 3.3Å; C231-I234 WeakPolarHBondContact O-CG1 3.1Å; C231-I234 PolarHBondContact O-N 3.32Å; A232-I234 PolarHBondContact O-N 3.19Å; I234-R243 PolarHBondContact O-NH1 3.13Å; I234-M260 HydrophobicContact CD1-CG 4.16Å
235H89.5Confident92.8Very high14 Ų1430.6 Ų30.67%0.06517%0.168CC..G310 helixtrans-85.4-12.9179.9-52.7-39.9000112.7A232 M233 G253 T255 N258A232-H235 PolarHBondContact O-N 3.49Å; M233-H235 PolarHBondContact O-N 3.13Å; M233-H235 VanDerWaalsContact O-N 3.16Å; H235-G253 PolarHBondContact CE1-O 3.32Å; H235-G253 PolarHBondContact NE2-O 3.28Å; H235-G253 VanDerWaalsContact NE2-O 3.13Å; H235-T255 PolarHBondContact NE2-OG1 3.34Å; H235-N258 HydrophobicContact CB-CB 4.17Å; H235-N258 VanDerWaalsContact ND1-C 3.34Å; H235-N258 PolarHBondContact ND1-O 3.44Å
236R91.6Very high93Very high122 Ų12230.5 Ų30.546%0.4617%0.167SC..THydrogen-bonded Turntrans-106.3-6.9-168.8-69.818062.9-178.70.6114.3L212 M233L212-R236 HydrophobicContact CD1-CB 3.68Å; M233-R236 PolarHBondContact O-N 3.45Å
237V93Very high93.4Very high3 Ų328.3 Ų28.32%0.01815%0.153CC..SBendtrans-71.3153.4166.3-61.70000109.9L212 C215 L218 V241 R243L212-V237 HydrophobicContact CD2-CG1 3.71Å; C215-V237 HydrophobicContact CB-CG1 4.19Å; L218-V237 HydrophobicContact CD2-CG1 4.22Å; L218-V237 HydrophobicContact CD2-CG2 4.41Å; V237-V241 HydrophobicContact CB-CB 4.23Å; V237-V241 HydrophobicContact CB-CG1 4.22Å; V237-V241 HydrophobicContact CB-CG2 4.47Å; V237-V241 HydrophobicContact CG2-CB 4.21Å; V237-V241 HydrophobicContact CG2-CG1 4.3Å; V237-R243 HydrophobicContact CG2-CG 4.32Å
238G91.5Very high93.8Very high26 Ų2633.4 Ų33.427%0.26817%0.171SC..  trans-53.9146.5-178.400000113.2D240 V241 R269G238-D240 PolarHBondContact O-N 3.38Å; G238-V241 VanDerWaalsContact O-CB 3.28Å; G238-V241 WeakPolarHBondContact O-CB 2.97Å; G238-V241 WeakPolarHBondContact O-CG2 3.41Å; G238-V241 PolarHBondContact O-N 2.82Å; G238-R269 PolarHBondContact O-NH1 3.22Å
239N90.4Very high94Very high115 Ų11535.2 Ų35.262%0.61518%0.176SC*.THydrogen-bonded Turntrans-57.3-22-171.3-72.5-20.4000115.8R269N239-R269 VanDerWaalsContact CA-NH1 3.28Å; N239-R269 WeakPolarHBondContact O-CD 3.37Å; N239-R269 PolarHBondContact O-NE 3.04Å; N239-R269 PolarHBondContact O-NH1 2.87Å
240D90.9Very high94.1Very high88 Ų8836.1 Ų36.147%0.47117%0.174SC..THydrogen-bonded Turntrans-103.1-3.6179.6-46.1-56.4000112.8R19 G238 P242R19-D240 HydrophobicContact CB-CB 4.41Å; R19-D240 VanDerWaalsContact CD-OD2 3.28Å; R19-D240 WeakPolarHBondContact CD-OD2 3.29Å; R19-D240 IonicContact CZ-OD2 3.57Å; R19-D240 IonicContact NE-OD2 2.87Å; R19-D240 IonicContact NH1-OD2 3.47Å; R19-D240 PolarHBondContact NH1-OD2 3.47Å; G238-D240 PolarHBondContact O-N 3.38Å; D240-P242 WeakPolarHBondContact O-CD 3.43Å
241V95.1Very high94Very high11 Ų1138.6 Ų38.67%0.06719%0.187CC..  trans-65.6119.6-179.7176.20000109.4C215 V237 G238 R269C215-V241 WeakPolarHBondContact O-CG2 2.99Å; V237-V241 HydrophobicContact CB-CB 4.23Å; V237-V241 HydrophobicContact CB-CG1 4.22Å; V237-V241 HydrophobicContact CB-CG2 4.47Å; V237-V241 HydrophobicContact CG2-CB 4.21Å; V237-V241 HydrophobicContact CG2-CG1 4.3Å; G238-V241 VanDerWaalsContact O-CB 3.28Å; G238-V241 WeakPolarHBondContact O-CB 2.97Å; G238-V241 WeakPolarHBondContact O-CG2 3.41Å; G238-V241 PolarHBondContact O-N 2.82Å; V241-R269 WeakPolarHBondContact O-CD 3.42Å
242P96.5Very high93.7Very high1 Ų140.8 Ų40.81%0.00620%0.199CC..  trans-58.9141.7172.4-27.339000112P20 L22 L33 D216 L217 L218 D240 R269P20-P242 HydrophobicContact CB-CG 4.34Å; L22-P242 HydrophobicContact CD1-CB 4.04Å; L22-P242 HydrophobicContact CD1-CG 4.2Å; L22-P242 HydrophobicContact CD2-CB 4.34Å; L22-P242 HydrophobicContact CD2-CG 4.41Å; L22-P242 HydrophobicContact CG-CB 4.22Å; L22-P242 HydrophobicContact CG-CG 4.02Å; L33-P242 HydrophobicContact CD1-CB 4.31Å; L33-P242 HydrophobicContact CD1-CG 3.66Å; D216-P242 WeakPolarHBondContact O-CD 3.35Å; L217-P242 HydrophobicContact CD1-CB 3.86Å; L218-P242 PolarHBondContact N-O 2.71Å; D240-P242 WeakPolarHBondContact O-CD 3.43Å; P242-R269 CarbonylContact C-O 3.59Å; P242-R269 WeakPolarHBondContact CA-O 3.18Å
243R97.1Very high93.1Very high2 Ų240 Ų401%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-124.1107.4177.7-55.8-174.3-70.7-174.51.2108.8L218 I234 V237 Y259 M260 R269 D270 I271L218-R243 HydrophobicContact CB-CB 4.5Å; L218-R243 HydrophobicContact CB-CG 4.14Å; L218-R243 HydrophobicContact CD2-CG 4.14Å; L218-R243 CarbonylContact O-C 3.4Å; L218-R243 WeakPolarHBondContact O-CA 3.42Å; I234-R243 PolarHBondContact O-NH1 3.13Å; V237-R243 HydrophobicContact CG2-CG 4.32Å; R243-Y259 PolarHBondContact NH2-O 2.81Å; R243-M260 HydrophobicContact CB-CE 4.26Å; R243-R269 PolarHBondContact N-O 3.18Å; R243-D270 IonicContact CZ-OD1 3.45Å; R243-D270 IonicContact CZ-OD2 3.77Å; R243-D270 IonicContact NE-OD1 2.74Å; R243-D270 PolarHBondContact NE-OD1 3.48Å; R243-D270 IonicContact NE-OD2 3.24Å; R243-D270 IonicContact NH2-OD1 2.8Å; R243-D270 PolarHBondContact NH2-OD1 2.96Å; R243-D270 IonicContact NH2-OD2 2.71Å; R243-D270 PolarHBondContact NH2-OD2 3.38Å; R243-I271 PolarHBondContact O-N 2.81Å
244L98.2Very high91.6Very high0 Ų043.6 Ų43.60%022%0.218CC..EExtended strand (participates in β ladder)trans-92.9122.3173.6175.161.3000109.4I27 V30 L218 I219 I220 I246 I271 I284I27-L244 HydrophobicContact CD1-CD2 4.5Å; I27-L244 HydrophobicContact CG1-CD1 4.35Å; I27-L244 HydrophobicContact CG1-CD2 4.26Å; V30-L244 HydrophobicContact CB-CD2 4.5Å; V30-L244 HydrophobicContact CG1-CB 4.44Å; V30-L244 HydrophobicContact CG1-CD2 4.06Å; V30-L244 HydrophobicContact CG2-CB 4.28Å; L218-L244 PolarHBondContact O-N 2.96Å; I219-L244 CarbonylContact C-O 3.57Å; I219-L244 WeakPolarHBondContact CA-O 3.3Å; I220-L244 PolarHBondContact N-O 3.16Å; L244-I246 HydrophobicContact CD1-CG1 4.33Å; L244-I246 HydrophobicContact CD2-CD1 4.1Å; L244-I246 HydrophobicContact CD2-CG1 4.25Å; L244-I246 HydrophobicContact CG-CD1 4.42Å; L244-I246 HydrophobicContact CG-CG1 4.04Å; L244-I271 CarbonylContact C-O 3.59Å; L244-I271 HydrophobicContact CD1-CB 3.9Å; L244-I271 HydrophobicContact CD1-CG2 3.63Å; L244-I284 HydrophobicContact CD2-CD1 3.74Å
245Y98.2Very high90.1Very high0 Ų046.5 Ų46.50%024%0.236CC..EExtended strand (participates in β ladder)trans-116.7110.7178.6-175.7-164.3000110.5I220 T223 L225 N247 E249 Y250 N251 M260 I271 F272 W273I220-Y245 HydrophobicContact CB-CD2 3.77Å; I220-Y245 HydrophobicContact CB-CE2 4.46Å; I220-Y245 HydrophobicContact CB-CG 4.27Å; I220-Y245 HydrophobicContact CG2-CD2 3.57Å; I220-Y245 HydrophobicContact CG2-CE2 3.76Å; I220-Y245 HydrophobicContact CG2-CG 4.35Å; I220-Y245 CarbonylContact O-C 3.57Å; I220-Y245 WeakPolarHBondContact O-CA 3.38Å; T223-Y245 WeakPolarHBondContact O-CE2 3.37Å; T223-Y245 PolarHBondContact O-OH 3.21Å; L225-Y245 HydrophobicContact CD1-CD1 4.5Å; L225-Y245 HydrophobicContact CD1-CE1 4.03Å; Y245-N247 HydrophobicContact CD2-CB 3.88Å; Y245-N247 HydrophobicContact CE2-CB 3.31Å; Y245-N247 PolarHBondContact OH-ND2 3.33Å; Y245-E249 PolarHBondContact OH-O 3.05Å; Y245-Y250 AromaticContact CD1-CD2 4Å; Y245-Y250 HydrophobicContact CD1-CD2 4Å; Y245-Y250 HydrophobicContact CD1-CE2 4.2Å; Y245-Y250 HydrophobicContact CE1-CD2 4.16Å; Y245-N251 WeakPolarHBondContact CE1-O 3.46Å; Y245-M260 HydrophobicContact CD1-CE 4.22Å; Y245-M260 HydrophobicContact CD1-SD 3.87Å; Y245-M260 HydrophobicContact CG-CE 4.49Å; Y245-M260 HydrophobicContact CG-SD 4.35Å; Y245-I271 PolarHBondContact N-O 3.45Å; Y245-F272 AromaticContact CD1-CD2 3.89Å; Y245-F272 HydrophobicContact CD1-CD2 3.89Å; Y245-F272 HydrophobicContact CD1-CE2 4.36Å; Y245-F272 HydrophobicContact CE1-CD2 4.44Å; Y245-F272 HydrophobicContact CG-CD2 4.06Å; Y245-F272 CarbonylContact O-C 3.53Å; Y245-F272 WeakPolarHBondContact O-CA 3.38Å; Y245-F272 VanDerWaalsContact O-CD2 3.3Å; Y245-F272 WeakPolarHBondContact O-CD2 3.4Å; Y245-W273 PolarHBondContact O-N 3.2Å
246I98.6Very high88.7Confident0 Ų051.3 Ų51.30%026%0.258CS..EExtended strand (participates in β ladder)trans-103.5101.9178.8-57.2177.9000107.8I220 M221 G222 L244 W273 V281I220-I246 PolarHBondContact O-N 3.29Å; M221-I246 VanDerWaalsContact CA-O 3.31Å; M221-I246 WeakPolarHBondContact CA-O 3.43Å; M221-I246 HydrophobicContact CG-CB 4.15Å; M221-I246 HydrophobicContact CG-CD1 4.41Å; M221-I246 HydrophobicContact SD-CD1 4.3Å; G222-I246 PolarHBondContact N-O 3.24Å; G222-I246 VanDerWaalsContact N-O 3.15Å; L244-I246 HydrophobicContact CD1-CG1 4.33Å; L244-I246 HydrophobicContact CD2-CD1 4.1Å; L244-I246 HydrophobicContact CD2-CG1 4.25Å; L244-I246 HydrophobicContact CG-CD1 4.42Å; L244-I246 HydrophobicContact CG-CG1 4.04Å; I246-W273 HydrophobicContact CG1-CB 4.42Å; I246-W273 HydrophobicContact CG2-CE3 3.72Å; I246-W273 HydrophobicContact CG2-CZ3 4.15Å; I246-V281 HydrophobicContact CD1-CG1 4.5Å
247N97.7Very high87.2Confident24 Ų2450 Ų5013%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-156.1160.7179.7-162.547.1000111.1G222 Y245 E249 F272 W273 S274 G275G222-N247 VanDerWaalsContact CA-OD1 3.32Å; G222-N247 WeakPolarHBondContact CA-OD1 3.39Å; Y245-N247 HydrophobicContact CD2-CB 3.88Å; Y245-N247 HydrophobicContact CE2-CB 3.31Å; Y245-N247 PolarHBondContact OH-ND2 3.33Å; N247-E249 VanDerWaalsContact C-N 3.34Å; N247-E249 PolarHBondContact ND2-O 3.16Å; N247-F272 HydrophobicContact CB-CE2 4.13Å; N247-F272 WeakPolarHBondContact O-CE2 3.46Å; N247-F272 VanDerWaalsContact O-CZ 3.25Å; N247-F272 WeakPolarHBondContact O-CZ 3.48Å; N247-W273 PolarHBondContact N-O 3.44Å; N247-S274 WeakPolarHBondContact O-CA 2.89Å; N247-G275 CarbonylContact C-O 3.13Å; N247-G275 PolarHBondContact O-N 3.1Å; N247-G275 VanDerWaalsContact O-N 3.13Å
248R95.8Very high85.8Confident121 Ų12153.5 Ų53.546%0.45729%0.286SS..SBendtrans-63.5-45176.6-67.4179.6177.1168.8-0.5111.1S274 G275 N276R248-S274 PolarHBondContact O-OG 3.45Å; R248-G275 PolarHBondContact N-O 3.23Å; R248-G275 VanDerWaalsContact N-O 3.11Å; R248-N276 PolarHBondContact NE-OD1 2.87Å; R248-N276 PolarHBondContact NH2-OD1 2.79Å
249E93.6Very high85.4Confident143 Ų14354.9 Ų54.967%0.66828%0.284SS*.SBendtrans-119140.8-176.4-64.1179.5177.400111.1Y245 N247Y245-E249 PolarHBondContact OH-O 3.05Å; N247-E249 VanDerWaalsContact C-N 3.34Å; N247-E249 PolarHBondContact ND2-O 3.16Å
250Y93.8Very high85.4Confident70 Ų7049.5 Ų49.528%0.27526%0.255SS..  trans-80.9135.2174.5-177.8-105.6000110.5Y245 D252 M260 W262 F272Y245-Y250 AromaticContact CD1-CD2 4Å; Y245-Y250 HydrophobicContact CD1-CD2 4Å; Y245-Y250 HydrophobicContact CD1-CE2 4.2Å; Y245-Y250 HydrophobicContact CE1-CD2 4.16Å; Y250-D252 HydrophobicContact CE1-CB 3.96Å; Y250-M260 HydrophobicContact CE2-CB 4.27Å; Y250-M260 WeakPolarHBondContact OH-CB 3.47Å; Y250-M260 PolarHBondContact OH-O 3.22Å; Y250-W262 HydrophobicContact CD1-CE3 4.12Å; Y250-W262 HydrophobicContact CD2-CB 4.45Å; Y250-W262 HydrophobicContact CD2-CE3 4.01Å; Y250-W262 HydrophobicContact CE1-CE3 4.31Å; Y250-W262 HydrophobicContact CE2-CB 3.63Å; Y250-W262 HydrophobicContact CE2-CD2 4.49Å; Y250-W262 HydrophobicContact CE2-CE3 4.2Å; Y250-W262 HydrophobicContact CE2-CG 4.31Å; Y250-W262 AromaticContact CG-CE3 3.95Å; Y250-W262 HydrophobicContact CG-CE3 3.95Å; Y250-W262 HydrophobicContact CG-CZ3 4.36Å; Y250-W262 PolarHBondContact OH-N 3.31Å; Y250-F272 HydrophobicContact CD2-CB 3.93Å; Y250-F272 HydrophobicContact CD2-CD1 4.2Å; Y250-F272 AromaticContact CD2-CD2 3.79Å; Y250-F272 HydrophobicContact CD2-CD2 3.79Å; Y250-F272 HydrophobicContact CD2-CE2 4.35Å; Y250-F272 AromaticContact CD2-CG 3.7Å; Y250-F272 HydrophobicContact CD2-CG 3.7Å; Y250-F272 HydrophobicContact CE2-CB 4.33Å; Y250-F272 HydrophobicContact CG-CD1 4.47Å; Y250-F272 HydrophobicContact CG-CG 4.4Å
251N91.3Very high85.5Confident52 Ų5248.5 Ų48.528%0.27825%0.247SC..  trans-137.1130.1167.8-171.3-61.5000106.6S224 Y245 G253S224-N251 VanDerWaalsContact O-CB 3.29Å; S224-N251 WeakPolarHBondContact O-CB 3.41Å; S224-N251 PolarHBondContact O-ND2 3.24Å; Y245-N251 WeakPolarHBondContact CE1-O 3.46Å; N251-G253 PolarHBondContact O-N 2.8Å; N251-G253 WeakPolarHBondContact OD1-CA 3.38Å; N251-G253 PolarHBondContact OD1-N 2.91Å
252D86.9Confident85.4Confident45 Ų4553 Ų5324%0.24126%0.262CS..  trans-76.7-6.8-175.365.4-4.6000113.1Y250 S254 Y259 M260Y250-D252 HydrophobicContact CE1-CB 3.96Å; D252-S254 VanDerWaalsContact C-N 3.32Å; D252-S254 WeakPolarHBondContact OD1-CB 3.45Å; D252-S254 PolarHBondContact OD1-N 2.91Å; D252-S254 PolarHBondContact OD1-OG 3.44Å; D252-Y259 HydrophobicContact CB-CD2 4.15Å; D252-Y259 HydrophobicContact CB-CG 4.49Å; D252-Y259 WeakPolarHBondContact O-CA 3.47Å; D252-Y259 VanDerWaalsContact O-CB 3.32Å; D252-Y259 WeakPolarHBondContact O-CB 3.21Å; D252-M260 PolarHBondContact O-N 3.1Å
253G78.6Confident85.1Confident1 Ų156.3 Ų56.31%0.0130%0.297CS..  trans68.132.1-174.800000112.3H235 N251 T255H235-G253 PolarHBondContact CE1-O 3.32Å; H235-G253 PolarHBondContact NE2-O 3.28Å; H235-G253 VanDerWaalsContact NE2-O 3.13Å; N251-G253 PolarHBondContact O-N 2.8Å; N251-G253 WeakPolarHBondContact OD1-CA 3.38Å; N251-G253 PolarHBondContact OD1-N 2.91Å; G253-T255 VanDerWaalsContact C-N 3.29Å; G253-T255 PolarHBondContact O-N 2.86Å
254S62.5Low84.8Confident78 Ų7862 Ų6255%0.54532%0.318SS..  trans-62.181.5-175.964.60000113D252D252-S254 VanDerWaalsContact C-N 3.32Å; D252-S254 WeakPolarHBondContact OD1-CB 3.45Å; D252-S254 PolarHBondContact OD1-N 2.91Å; D252-S254 PolarHBondContact OD1-OG 3.44Å
255T61.6Low84.6Confident60 Ų6068.3 Ų68.337%0.36836%0.363SS..SBendtrans-107.5-14.5160.259.70000111.4L228 H235 G253L228-T255 HydrophobicContact CD1-CG2 4.22Å; L228-T255 HydrophobicContact CD2-CG2 4.02Å; L228-T255 HydrophobicContact CG-CG2 4.1Å; H235-T255 PolarHBondContact NE2-OG1 3.34Å; G253-T255 VanDerWaalsContact C-N 3.29Å; G253-T255 PolarHBondContact O-N 2.86Å
256E60.6Low84.3Confident115 Ų11571.6 Ų71.654%0.53738%0.38SS..SBendtrans-152.8175.9-173.6-63.7-172.8-177.200111.6N258 Y259E256-N258 PolarHBondContact O-N 3.07Å; E256-Y259 WeakPolarHBondContact O-CD1 3.16Å
257S60.6Low84Confident96 Ų9672.4 Ų72.467%0.67139%0.385SS*.THydrogen-bonded Turntrans-65.5-12.5178.850.70000115.4
258N62.4Low83.8Confident75 Ų7579.7 Ų79.740%0.40142%0.415SS..THydrogen-bonded Turntrans-101.830.1-175.1-77.8-24.1000114.6H235 E256H235-N258 HydrophobicContact CB-CB 4.17Å; H235-N258 VanDerWaalsContact ND1-C 3.34Å; H235-N258 PolarHBondContact ND1-O 3.44Å; E256-N258 PolarHBondContact O-N 3.07Å
259Y82.5Confident83.7Confident56 Ų5675.2 Ų75.222%0.2240%0.398CS..  trans-56163.9176.655.9-88.8000114.1R243 D252 E256 K261 R264R243-Y259 PolarHBondContact NH2-O 2.81Å; D252-Y259 HydrophobicContact CB-CD2 4.15Å; D252-Y259 HydrophobicContact CB-CG 4.49Å; D252-Y259 WeakPolarHBondContact O-CA 3.47Å; D252-Y259 VanDerWaalsContact O-CB 3.32Å; D252-Y259 WeakPolarHBondContact O-CB 3.21Å; E256-Y259 WeakPolarHBondContact O-CD1 3.16Å; Y259-K261 PolarHBondContact O-N 3.41Å; Y259-R264 VanDerWaalsContact OH-CZ 3.31Å; Y259-R264 PolarHBondContact OH-NH1 3.14Å
260M91.3Very high83.9Confident2 Ų268.5 Ų68.51%0.0137%0.367CS..  trans-63.8131.4172.4-68-168.464.100110.4I220 L225 I234 R243 Y245 Y250 D252 D270I220-M260 HydrophobicContact CD1-SD 3.91Å; L225-M260 HydrophobicContact CD1-SD 4.37Å; I234-M260 HydrophobicContact CD1-CG 4.16Å; R243-M260 HydrophobicContact CB-CE 4.26Å; Y245-M260 HydrophobicContact CD1-CE 4.22Å; Y245-M260 HydrophobicContact CD1-SD 3.87Å; Y245-M260 HydrophobicContact CG-CE 4.49Å; Y245-M260 HydrophobicContact CG-SD 4.35Å; Y250-M260 HydrophobicContact CE2-CB 4.27Å; Y250-M260 WeakPolarHBondContact OH-CB 3.47Å; Y250-M260 PolarHBondContact OH-O 3.22Å; D252-M260 PolarHBondContact O-N 3.1Å; M260-D270 HydrophobicContact CE-CB 3.92Å
261K92.5Very high84Confident66 Ų6665.3 Ų65.329%0.28735%0.354SS..  trans-100.816.6-173.3-62.4-171.7175.3-1700113Y259 G263 R264 D266 N267 D270Y259-K261 PolarHBondContact O-N 3.41Å; K261-G263 PolarHBondContact O-N 3.13Å; K261-R264 HydrophobicContact CB-CB 4.37Å; K261-R264 HydrophobicContact CB-CG 4.44Å; K261-R264 VanDerWaalsContact O-CB 3.26Å; K261-R264 WeakPolarHBondContact O-CB 3.32Å; K261-R264 WeakPolarHBondContact O-CG 3.43Å; K261-R264 PolarHBondContact O-N 3.21Å; K261-D266 WeakPolarHBondContact CD-OD2 3.33Å; K261-D266 IonicContact NZ-OD2 3.94Å; K261-D266 PolarHBondContact NZ-OD2 3.03Å; K261-N267 HydrophobicContact CB-CB 4.28Å; K261-N267 WeakPolarHBondContact O-CB 3.37Å; K261-D270 PolarHBondContact N-OD2 3.26Å
262W92.5Very high84.4Confident106 Ų10664 Ų6440%0.40235%0.346SS..THydrogen-bonded Turntrans-55.2136.7179.5178.781.7000110.9Y250 R264 D270 F272Y250-W262 HydrophobicContact CD1-CE3 4.12Å; Y250-W262 HydrophobicContact CD2-CB 4.45Å; Y250-W262 HydrophobicContact CD2-CE3 4.01Å; Y250-W262 HydrophobicContact CE1-CE3 4.31Å; Y250-W262 HydrophobicContact CE2-CB 3.63Å; Y250-W262 HydrophobicContact CE2-CD2 4.49Å; Y250-W262 HydrophobicContact CE2-CE3 4.2Å; Y250-W262 HydrophobicContact CE2-CG 4.31Å; Y250-W262 AromaticContact CG-CE3 3.95Å; Y250-W262 HydrophobicContact CG-CE3 3.95Å; Y250-W262 HydrophobicContact CG-CZ3 4.36Å; Y250-W262 PolarHBondContact OH-N 3.31Å; W262-R264 VanDerWaalsContact C-N 3.26Å; W262-R264 PolarHBondContact O-N 2.83Å; W262-D270 HydrophobicContact CB-CB 4.34Å; W262-F272 HydrophobicContact CB-CB 4.29Å; W262-F272 VanDerWaalsContact CD1-N 3.31Å; W262-F272 HydrophobicContact CD2-CB 3.57Å; W262-F272 HydrophobicContact CD2-CD1 4.23Å; W262-F272 HydrophobicContact CD2-CG 4.31Å; W262-F272 HydrophobicContact CE3-CB 4.19Å; W262-F272 HydrophobicContact CE3-CD1 4.18Å; W262-F272 HydrophobicContact CG-CB 3.57Å; W262-F272 AromaticContact CH2-CD1 3.89Å; W262-F272 HydrophobicContact CH2-CD1 3.89Å; W262-F272 HydrophobicContact CZ2-CB 4.34Å; W262-F272 AromaticContact CZ2-CD1 3.94Å; W262-F272 HydrophobicContact CZ2-CD1 3.94Å; W262-F272 HydrophobicContact CZ3-CD1 4.02Å
263G90.8Very high84.9Confident71 Ų7164.7 Ų64.773%0.73235%0.346SS*.THydrogen-bonded Turntrans79-6.6-174.500000115.8K261K261-G263 PolarHBondContact O-N 3.13Å
264R92.1Very high85.8Confident120 Ų12068.3 Ų68.345%0.45337%0.371SS..SBendtrans-88.3150.9176.1-56.6-17867116.2-4.3111.9Y259 K261 W262 D266 N267Y259-R264 VanDerWaalsContact OH-CZ 3.31Å; Y259-R264 PolarHBondContact OH-NH1 3.14Å; K261-R264 HydrophobicContact CB-CB 4.37Å; K261-R264 HydrophobicContact CB-CG 4.44Å; K261-R264 VanDerWaalsContact O-CB 3.26Å; K261-R264 WeakPolarHBondContact O-CB 3.32Å; K261-R264 WeakPolarHBondContact O-CG 3.43Å; K261-R264 PolarHBondContact O-N 3.21Å; W262-R264 VanDerWaalsContact C-N 3.26Å; W262-R264 PolarHBondContact O-N 2.83Å; R264-D266 WeakPolarHBondContact CB-OD1 3.3Å; R264-D266 IonicContact NE-OD1 3.64Å; R264-D266 PolarHBondContact NE-OD1 3.05Å; R264-D266 PolarHBondContact O-N 3.08Å; R264-N267 VanDerWaalsContact O-CB 3.26Å; R264-N267 WeakPolarHBondContact O-CB 3.4Å; R264-N267 PolarHBondContact O-N 3.02Å; R264-N267 VanDerWaalsContact O-N 3.17Å
265S92.5Very high87.5Confident133 Ų13365.6 Ų65.693%0.9336%0.355SS*.THydrogen-bonded Turntrans-64.7-25178.857.90000113.8
266D91.3Very high89.2Confident69 Ų6965.5 Ų65.537%0.36935%0.352SS..THydrogen-bonded Turntrans-959.4178.671.3-45.9000113.5K261 R264K261-D266 WeakPolarHBondContact CD-OD2 3.33Å; K261-D266 IonicContact NZ-OD2 3.94Å; K261-D266 PolarHBondContact NZ-OD2 3.03Å; R264-D266 WeakPolarHBondContact CB-OD1 3.3Å; R264-D266 IonicContact NE-OD1 3.64Å; R264-D266 PolarHBondContact NE-OD1 3.05Å; R264-D266 PolarHBondContact O-N 3.08Å
267N93.5Very high91Very high18 Ų1860.4 Ų60.410%0.09633%0.33CS..  trans-66.7133.7175.1-173.816.7000111.4L25 K261 R264 R269 D270L25-N267 HydrophobicContact CD1-CB 4.39Å; L25-N267 WeakPolarHBondContact CD1-O 3.27Å; K261-N267 HydrophobicContact CB-CB 4.28Å; K261-N267 WeakPolarHBondContact O-CB 3.37Å; R264-N267 VanDerWaalsContact O-CB 3.26Å; R264-N267 WeakPolarHBondContact O-CB 3.4Å; R264-N267 PolarHBondContact O-N 3.02Å; R264-N267 VanDerWaalsContact O-N 3.17Å; N267-R269 PolarHBondContact OD1-N 2.79Å; N267-R269 VanDerWaalsContact OD1-N 3.13Å; N267-D270 PolarHBondContact ND2-O 3.05Å; N267-D270 WeakPolarHBondContact OD1-CB 3.4Å; N267-D270 PolarHBondContact OD1-N 3.22Å
268K92.9Very high92.8Very high177 Ų17757.1 Ų57.177%0.7731%0.305SS*.SBendtrans-130.3-8.2175.6-62.2-173.4178.8-1750114.1
269R94.8Very high94.5Very high27 Ų2757.4 Ų57.410%0.10231%0.306CS..SBendtrans-148.8-12.2-16580.9-171.6-175.9150.4-8.7115.6G238 N239 V241 P242 R243 N267 I271G238-R269 PolarHBondContact O-NH1 3.22Å; N239-R269 VanDerWaalsContact CA-NH1 3.28Å; N239-R269 WeakPolarHBondContact O-CD 3.37Å; N239-R269 PolarHBondContact O-NE 3.04Å; N239-R269 PolarHBondContact O-NH1 2.87Å; V241-R269 WeakPolarHBondContact O-CD 3.42Å; P242-R269 CarbonylContact C-O 3.59Å; P242-R269 WeakPolarHBondContact CA-O 3.18Å; R243-R269 PolarHBondContact N-O 3.18Å; N267-R269 PolarHBondContact OD1-N 2.79Å; N267-R269 VanDerWaalsContact OD1-N 3.13Å; R269-I271 VanDerWaalsContact O-CD1 3.31Å; R269-I271 WeakPolarHBondContact O-CD1 3.28Å
270D96.2Very high95.2Very high2 Ų254.8 Ų54.81%0.01130%0.296CS..EExtended strand (participates in β ladder)trans-100.3117.1-172.6-60.7-36.4000110.6R243 M260 K261 W262 N267R243-D270 IonicContact CZ-OD1 3.45Å; R243-D270 IonicContact CZ-OD2 3.77Å; R243-D270 IonicContact NE-OD1 2.74Å; R243-D270 PolarHBondContact NE-OD1 3.48Å; R243-D270 IonicContact NE-OD2 3.24Å; R243-D270 IonicContact NH2-OD1 2.8Å; R243-D270 PolarHBondContact NH2-OD1 2.96Å; R243-D270 IonicContact NH2-OD2 2.71Å; R243-D270 PolarHBondContact NH2-OD2 3.38Å; M260-D270 HydrophobicContact CE-CB 3.92Å; K261-D270 PolarHBondContact N-OD2 3.26Å; W262-D270 HydrophobicContact CB-CB 4.34Å; N267-D270 PolarHBondContact ND2-O 3.05Å; N267-D270 WeakPolarHBondContact OD1-CB 3.4Å; N267-D270 PolarHBondContact OD1-N 3.22Å
271I97.5Very high95.6Very high2 Ų254.7 Ų54.71%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-111.1129.8176.8-57.381.1000107.7L22 V30 R243 L244 Y245 R269L22-I271 HydrophobicContact CD1-CD1 3.46Å; L22-I271 VanDerWaalsContact CD1-CD1 3.46Å; L22-I271 HydrophobicContact CD1-CG1 4.47Å; L22-I271 HydrophobicContact CD2-CD1 4.17Å; L22-I271 HydrophobicContact CG-CD1 4.48Å; V30-I271 HydrophobicContact CG2-CB 4.44Å; V30-I271 HydrophobicContact CG2-CD1 3.7Å; V30-I271 HydrophobicContact CG2-CG1 3.88Å; R243-I271 PolarHBondContact O-N 2.81Å; L244-I271 CarbonylContact C-O 3.59Å; L244-I271 HydrophobicContact CD1-CB 3.9Å; L244-I271 HydrophobicContact CD1-CG2 3.63Å; Y245-I271 PolarHBondContact N-O 3.45Å; R269-I271 VanDerWaalsContact O-CD1 3.31Å; R269-I271 WeakPolarHBondContact O-CD1 3.28Å
272F97.8Very high95.9Very high25 Ų2552.9 Ų52.911%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-113.2127.9167.4176.8-117.2000109.2Y245 N247 Y250 W262Y245-F272 AromaticContact CD1-CD2 3.89Å; Y245-F272 HydrophobicContact CD1-CD2 3.89Å; Y245-F272 HydrophobicContact CD1-CE2 4.36Å; Y245-F272 HydrophobicContact CE1-CD2 4.44Å; Y245-F272 HydrophobicContact CG-CD2 4.06Å; Y245-F272 CarbonylContact O-C 3.53Å; Y245-F272 WeakPolarHBondContact O-CA 3.38Å; Y245-F272 VanDerWaalsContact O-CD2 3.3Å; Y245-F272 WeakPolarHBondContact O-CD2 3.4Å; N247-F272 HydrophobicContact CB-CE2 4.13Å; N247-F272 WeakPolarHBondContact O-CE2 3.46Å; N247-F272 VanDerWaalsContact O-CZ 3.25Å; N247-F272 WeakPolarHBondContact O-CZ 3.48Å; Y250-F272 HydrophobicContact CD2-CB 3.93Å; Y250-F272 HydrophobicContact CD2-CD1 4.2Å; Y250-F272 AromaticContact CD2-CD2 3.79Å; Y250-F272 HydrophobicContact CD2-CD2 3.79Å; Y250-F272 HydrophobicContact CD2-CE2 4.35Å; Y250-F272 AromaticContact CD2-CG 3.7Å; Y250-F272 HydrophobicContact CD2-CG 3.7Å; Y250-F272 HydrophobicContact CE2-CB 4.33Å; Y250-F272 HydrophobicContact CG-CD1 4.47Å; Y250-F272 HydrophobicContact CG-CG 4.4Å; W262-F272 HydrophobicContact CB-CB 4.29Å; W262-F272 VanDerWaalsContact CD1-N 3.31Å; W262-F272 HydrophobicContact CD2-CB 3.57Å; W262-F272 HydrophobicContact CD2-CD1 4.23Å; W262-F272 HydrophobicContact CD2-CG 4.31Å; W262-F272 HydrophobicContact CE3-CB 4.19Å; W262-F272 HydrophobicContact CE3-CD1 4.18Å; W262-F272 HydrophobicContact CG-CB 3.57Å; W262-F272 AromaticContact CH2-CD1 3.89Å; W262-F272 HydrophobicContact CH2-CD1 3.89Å; W262-F272 HydrophobicContact CZ2-CB 4.34Å; W262-F272 AromaticContact CZ2-CD1 3.94Å; W262-F272 HydrophobicContact CZ2-CD1 3.94Å; W262-F272 HydrophobicContact CZ3-CD1 4.02Å
273W98.2Very high96.2Very high59 Ų5950.8 Ų50.822%0.22328%0.284CS..EExtended strand (participates in β ladder)trans-113.5116.9170.9-173.193.3000107.9I27 Y245 I246 N247 G275 N276 D279 G280 K283I27-W273 HydrophobicContact CD1-CB 4.33Å; I27-W273 HydrophobicContact CD1-CG 3.97Å; Y245-W273 PolarHBondContact O-N 3.2Å; I246-W273 HydrophobicContact CG1-CB 4.42Å; I246-W273 HydrophobicContact CG2-CE3 3.72Å; I246-W273 HydrophobicContact CG2-CZ3 4.15Å; N247-W273 PolarHBondContact N-O 3.44Å; W273-G275 VanDerWaalsContact CZ3-CA 3.46Å; W273-N276 WeakPolarHBondContact CZ3-O 3.44Å; W273-D279 HydrophobicContact CH2-CB 3.55Å; W273-D279 HydrophobicContact CZ3-CB 4.19Å; W273-G280 VanDerWaalsContact CH2-N 3.32Å; W273-G280 VanDerWaalsContact CZ3-N 3.3Å; W273-K283 HydrophobicContact CZ2-CB 4.41Å
274S97.6Very high96.6Very high78 Ų7847.4 Ų47.455%0.54525%0.249SC..EExtended strand (participates in β ladder)trans-87122.5-175.7-174.90000111.1N247 R248N247-S274 WeakPolarHBondContact O-CA 2.89Å; R248-S274 PolarHBondContact O-OG 3.45Å
275G97.5Very high96.9Very high20 Ų2041.7 Ų41.721%0.20623%0.227CC..SBendtrans156.5-168.5175.100000112.9N247 R248 W273N247-G275 CarbonylContact C-O 3.13Å; N247-G275 PolarHBondContact O-N 3.1Å; N247-G275 VanDerWaalsContact O-N 3.13Å; R248-G275 PolarHBondContact N-O 3.23Å; R248-G275 VanDerWaalsContact N-O 3.11Å; W273-G275 VanDerWaalsContact CZ3-CA 3.46Å
276N97.4Very high97.2Very high59 Ų5939.6 Ų39.632%0.31620%0.203SC..  trans-71.8151.5174-55.3-55.6000110.7R248 W273 D278 D279 G280R248-N276 PolarHBondContact NE-OD1 2.87Å; R248-N276 PolarHBondContact NH2-OD1 2.79Å; W273-N276 WeakPolarHBondContact CZ3-O 3.44Å; N276-D278 VanDerWaalsContact C-N 3.3Å; N276-D278 PolarHBondContact O-N 3.41Å; N276-D279 HydrophobicContact CB-CB 4.48Å; N276-D279 VanDerWaalsContact CB-OD2 3.31Å; N276-D279 WeakPolarHBondContact CB-OD2 3.31Å; N276-D279 PolarHBondContact ND2-OD2 3.47Å; N276-D279 PolarHBondContact O-N 3.04Å; N276-G280 PolarHBondContact O-N 2.74Å; N276-G280 VanDerWaalsContact O-N 3.08Å
277A98.2Very high97.5Very high8 Ų838.5 Ų38.57%0.06620%0.197CC..Hα-helixtrans-55.8-45.5177.500000112.1V50 A111 D279 G280 V281V50-A277 HydrophobicContact CB-CB 4.42Å; V50-A277 HydrophobicContact CG1-CB 3.95Å; A111-A277 HydrophobicContact CB-CB 3.99Å; A277-D279 PolarHBondContact O-N 3.08Å; A277-G280 PolarHBondContact O-N 2.76Å; A277-V281 WeakPolarHBondContact O-CG1 3.41Å; A277-V281 WeakPolarHBondContact O-CG2 3.43Å; A277-V281 PolarHBondContact O-N 3.09Å
278D98.5Very high97.7Very high26 Ų2638.1 Ų38.114%0.13920%0.195CC..Hα-helixtrans-59.8-43.9179.1-82.311.8000112.3T109 L110 A111 N276 G280 V281 V282T109-D278 WeakPolarHBondContact CB-OD1 3.45Å; T109-D278 PolarHBondContact OG1-OD1 3.27Å; L110-D278 HydrophobicContact CB-CB 4.12Å; L110-D278 HydrophobicContact CD1-CB 4.36Å; L110-D278 PolarHBondContact N-OD1 3.44Å; L110-D278 PolarHBondContact N-OD2 3.15Å; A111-D278 WeakPolarHBondContact CB-OD1 3.18Å; A111-D278 PolarHBondContact N-OD1 3.32Å; N276-D278 VanDerWaalsContact C-N 3.3Å; N276-D278 PolarHBondContact O-N 3.41Å; D278-G280 PolarHBondContact O-N 2.64Å; D278-V281 WeakPolarHBondContact O-CG2 3.49Å; D278-V281 PolarHBondContact O-N 3.46Å; D278-V282 VanDerWaalsContact O-CG2 3.27Å; D278-V282 WeakPolarHBondContact O-CG2 3.44Å; D278-V282 PolarHBondContact O-N 3.07Å
279D98.5Very high98Very high82 Ų8232.8 Ų32.844%0.43919%0.19SC..Hα-helixtrans-64.9-41.4178.7-60-37.7000111.4W273 N276 A277 V282 K283W273-D279 HydrophobicContact CH2-CB 3.55Å; W273-D279 HydrophobicContact CZ3-CB 4.19Å; N276-D279 HydrophobicContact CB-CB 4.48Å; N276-D279 VanDerWaalsContact CB-OD2 3.31Å; N276-D279 WeakPolarHBondContact CB-OD2 3.31Å; N276-D279 PolarHBondContact ND2-OD2 3.47Å; N276-D279 PolarHBondContact O-N 3.04Å; A277-D279 PolarHBondContact O-N 3.08Å; D279-V282 PolarHBondContact O-N 3.42Å; D279-K283 WeakPolarHBondContact O-CB 3.49Å; D279-K283 PolarHBondContact O-N 2.95Å
280G98.6Very high98.2Very high0 Ų033.2 Ų33.20%019%0.191CC..Hα-helixtrans-67.1-40.2178.500000112.8W273 N276 A277 D278 K283 I284W273-G280 VanDerWaalsContact CH2-N 3.32Å; W273-G280 VanDerWaalsContact CZ3-N 3.3Å; N276-G280 PolarHBondContact O-N 2.74Å; N276-G280 VanDerWaalsContact O-N 3.08Å; A277-G280 PolarHBondContact O-N 2.76Å; D278-G280 PolarHBondContact O-N 2.64Å; G280-K283 PolarHBondContact O-N 3.31Å; G280-I284 PolarHBondContact O-N 2.96Å
281V98.7Very high98.3Very high0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-71.9-30.8176.4-60.30000112.4L110 A111 F114 M221 I246 A277 D278 I284 S285 L294L110-V281 HydrophobicContact CB-CG2 4.08Å; A111-V281 HydrophobicContact CB-CG1 4.38Å; A111-V281 HydrophobicContact CB-CG2 4.46Å; F114-V281 HydrophobicContact CB-CB 3.75Å; F114-V281 HydrophobicContact CB-CG1 3.92Å; F114-V281 HydrophobicContact CB-CG2 4.11Å; F114-V281 HydrophobicContact CD1-CB 4.07Å; F114-V281 HydrophobicContact CD1-CG1 3.59Å; F114-V281 HydrophobicContact CD2-CB 4.2Å; F114-V281 HydrophobicContact CE1-CG1 4.26Å; F114-V281 HydrophobicContact CG-CB 3.74Å; F114-V281 HydrophobicContact CG-CG1 3.79Å; M221-V281 HydrophobicContact SD-CG1 3.55Å; M221-V281 VanDerWaalsContact SD-CG1 3.55Å; I246-V281 HydrophobicContact CD1-CG1 4.5Å; A277-V281 WeakPolarHBondContact O-CG1 3.41Å; A277-V281 WeakPolarHBondContact O-CG2 3.43Å; A277-V281 PolarHBondContact O-N 3.09Å; D278-V281 WeakPolarHBondContact O-CG2 3.49Å; D278-V281 PolarHBondContact O-N 3.46Å; V281-I284 WeakPolarHBondContact O-CG2 3.19Å; V281-S285 WeakPolarHBondContact O-CB 3.21Å; V281-S285 PolarHBondContact O-N 3.18Å; V281-S285 PolarHBondContact O-OG 3.01Å; V281-L294 HydrophobicContact CG2-CD2 4.37Å
282V98.7Very high98.3Very high28 Ų2842.3 Ų42.317%0.1724%0.237CC..Hα-helixtrans-64.4-47.8170.3169.70000109.6L110 D278 D279 I284 S285 E286 K291 L294L110-V282 HydrophobicContact CD1-CG2 3.79Å; D278-V282 VanDerWaalsContact O-CG2 3.27Å; D278-V282 WeakPolarHBondContact O-CG2 3.44Å; D278-V282 PolarHBondContact O-N 3.07Å; D279-V282 PolarHBondContact O-N 3.42Å; V282-I284 PolarHBondContact O-N 3.26Å; V282-S285 CarbonylContact O-C 3.57Å; V282-S285 PolarHBondContact O-N 2.78Å; V282-S285 VanDerWaalsContact O-N 3.16Å; V282-E286 HydrophobicContact CG1-CG 4.43Å; V282-E286 WeakPolarHBondContact O-CG 3.1Å; V282-E286 PolarHBondContact O-N 3.3Å; V282-K291 HydrophobicContact CG1-CD 4.29Å; V282-L294 HydrophobicContact CG2-CD2 4.29Å
283K98.6Very high98.4Very high63 Ų6343 Ų4327%0.27424%0.241SC..Hα-helixtrans-59-48.3179.3174.959.3178.4173.90112.8I27 E28 W273 D279 G280 S285 E286 L287I27-K283 HydrophobicContact CD1-CG 4.18Å; I27-K283 HydrophobicContact CG2-CG 4.21Å; E28-K283 VanDerWaalsContact OE1-CE 3.23Å; E28-K283 WeakPolarHBondContact OE1-CE 3.09Å; E28-K283 IonicContact OE1-NZ 2.72Å; E28-K283 PolarHBondContact OE1-NZ 3.24Å; W273-K283 HydrophobicContact CZ2-CB 4.41Å; D279-K283 WeakPolarHBondContact O-CB 3.49Å; D279-K283 PolarHBondContact O-N 2.95Å; G280-K283 PolarHBondContact O-N 3.31Å; K283-S285 VanDerWaalsContact C-N 3.31Å; K283-S285 PolarHBondContact O-N 3.27Å; K283-E286 WeakPolarHBondContact O-CB 3.49Å; K283-E286 PolarHBondContact O-N 3.44Å; K283-L287 HydrophobicContact CD-CD1 4.37Å; K283-L287 HydrophobicContact CG-CD1 4.46Å; K283-L287 WeakPolarHBondContact O-CG 3.28Å; K283-L287 PolarHBondContact O-N 3.37Å; K283-L287 VanDerWaalsContact O-N 3.13Å
284I98.6Very high98.4Very high0 Ų040.1 Ų40.10%023%0.231CC..Hα-helixtrans-67.1-35.6176.8-163.6170.8000111.3I27 V30 A31 I34 F114 L244 G280 V281 V282 E286 L287 L288I27-I284 HydrophobicContact CD1-CB 3.99Å; I27-I284 HydrophobicContact CG1-CB 4.18Å; I27-I284 HydrophobicContact CG1-CD1 4.43Å; I27-I284 HydrophobicContact CG1-CG1 4.33Å; V30-I284 HydrophobicContact CG1-CD1 4.17Å; A31-I284 HydrophobicContact CB-CG1 4.45Å; I34-I284 HydrophobicContact CD1-CD1 4.4Å; F114-I284 HydrophobicContact CD2-CG2 4.47Å; F114-I284 HydrophobicContact CE1-CG2 4.4Å; F114-I284 HydrophobicContact CE2-CG2 3.69Å; F114-I284 HydrophobicContact CZ-CG2 3.65Å; L244-I284 HydrophobicContact CD2-CD1 3.74Å; G280-I284 PolarHBondContact O-N 2.96Å; V281-I284 WeakPolarHBondContact O-CG2 3.19Å; V282-I284 PolarHBondContact O-N 3.26Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 3.22Å; I284-L287 PolarHBondContact O-N 2.6Å; I284-L288 HydrophobicContact CG1-CD1 3.95Å; I284-L288 HydrophobicContact CG1-CG 4.33Å; I284-L288 WeakPolarHBondContact O-CB 3.45Å; I284-L288 WeakPolarHBondContact O-CG 3.29Å; I284-L288 PolarHBondContact O-N 2.86Å
285S98.7Very high98.5Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-65.9-35.6175.7-60.90000112.1F114 V281 V282 K283 L288 G289 W290 K291F114-S285 WeakPolarHBondContact CD2-OG 3.23Å; V281-S285 WeakPolarHBondContact O-CB 3.21Å; V281-S285 PolarHBondContact O-N 3.18Å; V281-S285 PolarHBondContact O-OG 3.01Å; V282-S285 CarbonylContact O-C 3.57Å; V282-S285 PolarHBondContact O-N 2.78Å; V282-S285 VanDerWaalsContact O-N 3.16Å; K283-S285 VanDerWaalsContact C-N 3.31Å; K283-S285 PolarHBondContact O-N 3.27Å; S285-L288 PolarHBondContact O-N 3.2Å; S285-G289 PolarHBondContact O-N 3.23Å; S285-G289 VanDerWaalsContact O-N 3.13Å; S285-W290 WeakPolarHBondContact O-CA 3.45Å; S285-W290 PolarHBondContact O-N 3.3Å; S285-K291 PolarHBondContact O-N 2.85Å
286E98.6Very high98.5Very high88 Ų8845.1 Ų45.141%0.41124%0.237SC..Hα-helixtrans-61.2-49171.5-74174.8165.800111.5V282 K283 I284 L288 G289 K291V282-E286 HydrophobicContact CG1-CG 4.43Å; V282-E286 WeakPolarHBondContact O-CG 3.1Å; V282-E286 PolarHBondContact O-N 3.3Å; K283-E286 WeakPolarHBondContact O-CB 3.49Å; K283-E286 PolarHBondContact O-N 3.44Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 3.22Å; E286-L288 PolarHBondContact O-N 2.94Å; E286-G289 PolarHBondContact O-N 3.49Å; E286-K291 HydrophobicContact CG-CB 3.97Å; E286-K291 HydrophobicContact CG-CD 3.36Å; E286-K291 HydrophobicContact CG-CG 4.22Å; E286-K291 VanDerWaalsContact OE1-CD 3.27Å; E286-K291 WeakPolarHBondContact OE1-CD 3.49Å; E286-K291 WeakPolarHBondContact OE1-CE 3.39Å; E286-K291 IonicContact OE1-NZ 2.65Å; E286-K291 PolarHBondContact OE1-NZ 3.18Å
287L98.5Very high98.6Very high46 Ų4643 Ų4324%0.24123%0.225CC..Hα-helixtrans-61-34.1179.8-68.5169.2000112.4I27 E28 A31 Q35 K283 I284I27-L287 HydrophobicContact CG1-CD1 4.44Å; I27-L287 HydrophobicContact CG2-CD1 3.93Å; E28-L287 HydrophobicContact CG-CD1 4.06Å; E28-L287 HydrophobicContact CG-CD2 3.93Å; A31-L287 HydrophobicContact CB-CB 3.53Å; A31-L287 HydrophobicContact CB-CD1 4.09Å; A31-L287 HydrophobicContact CB-CG 4.42Å; Q35-L287 PolarHBondContact NE2-O 3.39Å; K283-L287 HydrophobicContact CD-CD1 4.37Å; K283-L287 HydrophobicContact CG-CD1 4.46Å; K283-L287 WeakPolarHBondContact O-CG 3.28Å; K283-L287 PolarHBondContact O-N 3.37Å; K283-L287 VanDerWaalsContact O-N 3.13Å; I284-L287 PolarHBondContact O-N 2.6Å
288L98.2Very high98.6Very high11 Ų1144.6 Ų44.66%0.05823%0.231CC..THydrogen-bonded Turntrans-83-7.8177.8-64.6172.9000114A31 I34 Q35 I284 S285 E286 W290A31-L288 HydrophobicContact CB-CD2 3.95Å; A31-L288 HydrophobicContact CB-CG 4.27Å; A31-L288 WeakPolarHBondContact O-CD2 3.17Å; I34-L288 HydrophobicContact CB-CD2 3.76Å; I34-L288 HydrophobicContact CD1-CD1 4.05Å; I34-L288 HydrophobicContact CD1-CD2 4.32Å; I34-L288 HydrophobicContact CG2-CD1 4.4Å; I34-L288 HydrophobicContact CG2-CD2 3.77Å; Q35-L288 HydrophobicContact CG-CD2 3.89Å; I284-L288 HydrophobicContact CG1-CD1 3.95Å; I284-L288 HydrophobicContact CG1-CG 4.33Å; I284-L288 WeakPolarHBondContact O-CB 3.45Å; I284-L288 WeakPolarHBondContact O-CG 3.29Å; I284-L288 PolarHBondContact O-N 2.86Å; S285-L288 PolarHBondContact O-N 3.2Å; E286-L288 PolarHBondContact O-N 2.94Å; L288-W290 VanDerWaalsContact C-N 3.33Å; L288-W290 HydrophobicContact CB-CB 4.41Å; L288-W290 HydrophobicContact CB-CD2 3.71Å; L288-W290 HydrophobicContact CB-CE3 4.12Å; L288-W290 HydrophobicContact CB-CG 3.87Å; L288-W290 HydrophobicContact CB-CZ2 4.35Å; L288-W290 HydrophobicContact CD1-CD2 4.1Å; L288-W290 HydrophobicContact CD1-CE3 3.63Å; L288-W290 HydrophobicContact CD1-CH2 3.81Å; L288-W290 HydrophobicContact CD1-CZ2 4.29Å; L288-W290 HydrophobicContact CD1-CZ3 3.48Å; L288-W290 VanDerWaalsContact CD1-CZ3 3.48Å; L288-W290 PolarHBondContact O-NE1 2.89Å
289G98.4Very high98.6Very high65 Ų6550.7 Ų50.767%0.6726%0.256SS*.THydrogen-bonded Turntrans71.624.6-172.300000113.8S285 E286S285-G289 PolarHBondContact O-N 3.23Å; S285-G289 VanDerWaalsContact O-N 3.13Å; E286-G289 PolarHBondContact O-N 3.49Å
290W98.6Very high98.6Very high35 Ų3552 Ų5213%0.13326%0.26CS..  trans-109.92.5-175.8-61.2-4.5000114I34 L117 L118 K121 L123 S285 L288 D292 D293 L294I34-W290 HydrophobicContact CG2-CH2 3.77Å; I34-W290 HydrophobicContact CG2-CZ2 4.17Å; L117-W290 HydrophobicContact CD2-CB 4.1Å; L117-W290 HydrophobicContact CD2-CE3 4.37Å; L118-W290 HydrophobicContact CD2-CZ3 3.96Å; K121-W290 HydrophobicContact CB-CH2 4.44Å; K121-W290 HydrophobicContact CD-CD2 4Å; K121-W290 HydrophobicContact CD-CE3 4.35Å; K121-W290 HydrophobicContact CD-CH2 4.17Å; K121-W290 HydrophobicContact CD-CZ2 3.76Å; K121-W290 HydrophobicContact CD-CZ3 4.43Å; K121-W290 VanDerWaalsContact CE-CD2 3.47Å; K121-W290 HydrophobicContact CG-CD2 4.49Å; K121-W290 HydrophobicContact CG-CE3 4.35Å; K121-W290 HydrophobicContact CG-CH2 4.14Å; K121-W290 HydrophobicContact CG-CZ2 4.25Å; K121-W290 HydrophobicContact CG-CZ3 4.17Å; K121-W290 VanDerWaalsContact NZ-CD1 3.27Å; L123-W290 HydrophobicContact CD1-CH2 3.44Å; L123-W290 VanDerWaalsContact CD1-CH2 3.44Å; L123-W290 HydrophobicContact CD1-CZ2 4.26Å; L123-W290 HydrophobicContact CD1-CZ3 4.27Å; S285-W290 WeakPolarHBondContact O-CA 3.45Å; S285-W290 PolarHBondContact O-N 3.3Å; L288-W290 VanDerWaalsContact C-N 3.33Å; L288-W290 HydrophobicContact CB-CB 4.41Å; L288-W290 HydrophobicContact CB-CD2 3.71Å; L288-W290 HydrophobicContact CB-CE3 4.12Å; L288-W290 HydrophobicContact CB-CG 3.87Å; L288-W290 HydrophobicContact CB-CZ2 4.35Å; L288-W290 HydrophobicContact CD1-CD2 4.1Å; L288-W290 HydrophobicContact CD1-CE3 3.63Å; L288-W290 HydrophobicContact CD1-CH2 3.81Å; L288-W290 HydrophobicContact CD1-CZ2 4.29Å; L288-W290 HydrophobicContact CD1-CZ3 3.48Å; L288-W290 VanDerWaalsContact CD1-CZ3 3.48Å; L288-W290 PolarHBondContact O-NE1 2.89Å; W290-D292 VanDerWaalsContact C-N 3.3Å; W290-D292 PolarHBondContact O-N 3.43Å; W290-D293 WeakPolarHBondContact O-CB 3.34Å; W290-D293 PolarHBondContact O-N 2.72Å; W290-D293 VanDerWaalsContact O-N 3.13Å; W290-L294 PolarHBondContact O-N 3.31Å
291K98.6Very high98.5Very high73 Ų7352.3 Ų52.332%0.31726%0.261SS..Hα-helixtrans-55.2-44.5-178.2175.1168.9173.8179.30112.4V282 S285 E286 D293 L294 L295V282-K291 HydrophobicContact CG1-CD 4.29Å; S285-K291 PolarHBondContact O-N 2.85Å; E286-K291 HydrophobicContact CG-CB 3.97Å; E286-K291 HydrophobicContact CG-CD 3.36Å; E286-K291 HydrophobicContact CG-CG 4.22Å; E286-K291 VanDerWaalsContact OE1-CD 3.27Å; E286-K291 WeakPolarHBondContact OE1-CD 3.49Å; E286-K291 WeakPolarHBondContact OE1-CE 3.39Å; E286-K291 IonicContact OE1-NZ 2.65Å; E286-K291 PolarHBondContact OE1-NZ 3.18Å; K291-D293 VanDerWaalsContact C-N 3.34Å; K291-D293 PolarHBondContact O-N 3.32Å; K291-L294 PolarHBondContact O-N 3.05Å; K291-L295 HydrophobicContact CG-CD1 4Å; K291-L295 HydrophobicContact CG-CG 4.35Å; K291-L295 WeakPolarHBondContact O-CG 3.49Å; K291-L295 PolarHBondContact O-N 2.97Å
292D98.6Very high98.5Very high122 Ų12254.1 Ų54.165%0.65227%0.271SS*.Hα-helixtrans-67.1-36.6179.7-66.1-21.9000112.1W290 R296W290-D292 VanDerWaalsContact C-N 3.3Å; W290-D292 PolarHBondContact O-N 3.43Å; D292-R296 WeakPolarHBondContact O-CB 3.38Å; D292-R296 PolarHBondContact O-N 3.17Å
293D98.6Very high98.4Very high39 Ų3955.4 Ų55.421%0.20928%0.281CS..Hα-helixtrans-63.3-43.8173.2-68.8-20.8000111.3L117 K121 W290 K291 R296 L297L117-D293 HydrophobicContact CD1-CB 4.05Å; L117-D293 HydrophobicContact CD2-CB 4.14Å; K121-D293 IonicContact NZ-OD2 3.61Å; K121-D293 PolarHBondContact NZ-OD2 3.34Å; W290-D293 WeakPolarHBondContact O-CB 3.34Å; W290-D293 PolarHBondContact O-N 2.72Å; W290-D293 VanDerWaalsContact O-N 3.13Å; K291-D293 VanDerWaalsContact C-N 3.34Å; K291-D293 PolarHBondContact O-N 3.32Å; D293-R296 PolarHBondContact O-N 3.01Å; D293-R296 IonicContact OD1-CZ 3.31Å; D293-R296 VanDerWaalsContact OD1-CZ 3.31Å; D293-R296 IonicContact OD1-NH1 3.01Å; D293-R296 PolarHBondContact OD1-NH1 3.01Å; D293-R296 IonicContact OD1-NH2 2.79Å; D293-R296 PolarHBondContact OD1-NH2 3.15Å; D293-L297 VanDerWaalsContact O-CB 3.31Å; D293-L297 WeakPolarHBondContact O-CB 3.36Å; D293-L297 PolarHBondContact O-N 2.82Å
294L98.8Very high98.4Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-62.1-48.5178176.562.7000111.5L110 C113 F114 L117 V281 V282 W290 K291 L297 K298L110-L294 HydrophobicContact CD2-CD1 4.5Å; L110-L294 HydrophobicContact CD2-CD2 4.41Å; L110-L294 HydrophobicContact CD2-CG 4.12Å; C113-L294 HydrophobicContact CB-CD1 3.76Å; F114-L294 HydrophobicContact CB-CD1 4.02Å; L117-L294 HydrophobicContact CD2-CB 4.03Å; V281-L294 HydrophobicContact CG2-CD2 4.37Å; V282-L294 HydrophobicContact CG2-CD2 4.29Å; W290-L294 PolarHBondContact O-N 3.31Å; K291-L294 PolarHBondContact O-N 3.05Å; L294-L297 PolarHBondContact O-N 3.33Å; L294-K298 WeakPolarHBondContact O-CB 3.42Å; L294-K298 PolarHBondContact O-N 3.5Å
295L98.6Very high98.3Very high76 Ų7656.4 Ų56.440%0.39828%0.283SS..Hα-helixtrans-66.9-37.6-180-66.4178.8000111.8L110 K291 K298 K299L110-L295 HydrophobicContact CD2-CD2 4.08Å; K291-L295 HydrophobicContact CG-CD1 4Å; K291-L295 HydrophobicContact CG-CG 4.35Å; K291-L295 WeakPolarHBondContact O-CG 3.49Å; K291-L295 PolarHBondContact O-N 2.97Å; L295-K298 PolarHBondContact O-N 2.85Å; L295-K299 WeakPolarHBondContact O-CB 3.02Å; L295-K299 PolarHBondContact O-N 2.6Å
296R98.6Very high98.2Very high126 Ų12660.2 Ų60.248%0.47530%0.304SS..Hα-helixtrans-62.3-49.7173.3-176.2173.968.5-111.4-0.9111.1D292 D293 K298 K299 E300D292-R296 WeakPolarHBondContact O-CB 3.38Å; D292-R296 PolarHBondContact O-N 3.17Å; D293-R296 PolarHBondContact O-N 3.01Å; D293-R296 IonicContact OD1-CZ 3.31Å; D293-R296 VanDerWaalsContact OD1-CZ 3.31Å; D293-R296 IonicContact OD1-NH1 3.01Å; D293-R296 PolarHBondContact OD1-NH1 3.01Å; D293-R296 IonicContact OD1-NH2 2.79Å; D293-R296 PolarHBondContact OD1-NH2 3.15Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 3.22Å; R296-K299 WeakPolarHBondContact O-CB 3.36Å; R296-K299 PolarHBondContact O-N 3.13Å; R296-K299 VanDerWaalsContact O-N 3.14Å; R296-E300 WeakPolarHBondContact CG-OE1 3.5Å; R296-E300 WeakPolarHBondContact O-CG 3.42Å; R296-E300 PolarHBondContact O-N 2.99Å
297L98.5Very high98Very high16 Ų1662.7 Ų62.78%0.08432%0.315CS..Hα-helixtrans-60-40178177.661.8000112.3C113 R116 L117 D293 L294 E300 T301C113-L297 HydrophobicContact CB-CD2 4.25Å; C113-L297 HydrophobicContact CB-CG 4.37Å; C113-L297 VanDerWaalsContact O-CD2 3.23Å; C113-L297 WeakPolarHBondContact O-CD2 3.46Å; R116-L297 HydrophobicContact CB-CD2 4.05Å; R116-L297 HydrophobicContact CG-CD1 4.3Å; R116-L297 HydrophobicContact CG-CD2 3.75Å; L117-L297 HydrophobicContact CB-CD2 4.06Å; D293-L297 VanDerWaalsContact O-CB 3.31Å; D293-L297 WeakPolarHBondContact O-CB 3.36Å; D293-L297 PolarHBondContact O-N 2.82Å; L294-L297 PolarHBondContact O-N 3.33Å; L297-E300 PolarHBondContact O-N 3.12Å; L297-T301 VanDerWaalsContact O-CB 3.29Å; L297-T301 WeakPolarHBondContact O-CB 3.21Å; L297-T301 PolarHBondContact O-N 3.2Å; L297-T301 PolarHBondContact O-OG1 3.4Å
298K98.5Very high97.8Very high40 Ų4064.6 Ų64.617%0.17432%0.323CS..Hα-helixtrans-61.1-47.2174.1-178.664.9168.987.50111.6P108 L110 L294 L295 R296 T301 D302P108-K298 WeakPolarHBondContact O-CE 3.15Å; P108-K298 PolarHBondContact O-NZ 3.39Å; L110-K298 HydrophobicContact CD2-CB 3.84Å; L110-K298 HydrophobicContact CD2-CD 4.25Å; L110-K298 HydrophobicContact CD2-CG 3.82Å; L294-K298 WeakPolarHBondContact O-CB 3.42Å; L294-K298 PolarHBondContact O-N 3.5Å; L295-K298 PolarHBondContact O-N 2.85Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 3.22Å; K298-T301 PolarHBondContact O-N 3Å; K298-D302 IonicContact NZ-OD1 2.85Å; K298-D302 PolarHBondContact NZ-OD1 2.93Å; K298-D302 IonicContact NZ-OD2 3.37Å; K298-D302 PolarHBondContact NZ-OD2 2.77Å; K298-D302 WeakPolarHBondContact O-CB 3.22Å; K298-D302 PolarHBondContact O-N 3.11Å
299K98.4Very high97.5Very high154 Ų15465.6 Ų65.667%0.6733%0.327SS*.Hα-helixtrans-62.9-42.1179.2-175.8-178.5178-177.30112.3L295 R296 S303L295-K299 WeakPolarHBondContact O-CB 3.02Å; L295-K299 PolarHBondContact O-N 2.6Å; R296-K299 WeakPolarHBondContact O-CB 3.36Å; R296-K299 PolarHBondContact O-N 3.13Å; R296-K299 VanDerWaalsContact O-N 3.14Å; K299-S303 WeakPolarHBondContact O-CB 3.42Å; K299-S303 PolarHBondContact O-N 3.37Å; K299-S303 PolarHBondContact O-OG 2.88Å
300E98.2Very high97.1Very high111 Ų11167.8 Ų67.852%0.51932%0.322SS..Hα-helixtrans-65.7-45.2176.9-72.3170.4-177.300111.2R296 L297 D302 S303 R304R296-E300 WeakPolarHBondContact CG-OE1 3.5Å; R296-E300 WeakPolarHBondContact O-CG 3.42Å; R296-E300 PolarHBondContact O-N 2.99Å; L297-E300 PolarHBondContact O-N 3.12Å; E300-D302 PolarHBondContact O-N 2.74Å; E300-S303 PolarHBondContact O-N 3.3Å; E300-R304 WeakPolarHBondContact O-CB 3.4Å; E300-R304 PolarHBondContact O-N 3.17Å
301T98Very high96.8Very high6 Ų668.5 Ų68.54%0.03734%0.336CS..Hα-helixtrans-60.1-46.4175.9-60.30000111.2P108 L297 K298 S303 R304 L305P108-T301 HydrophobicContact CB-CG2 4.44Å; P108-T301 HydrophobicContact CG-CG2 3.96Å; L297-T301 VanDerWaalsContact O-CB 3.29Å; L297-T301 WeakPolarHBondContact O-CB 3.21Å; L297-T301 PolarHBondContact O-N 3.2Å; L297-T301 PolarHBondContact O-OG1 3.4Å; K298-T301 PolarHBondContact O-N 3Å; T301-S303 PolarHBondContact O-N 3.3Å; T301-R304 PolarHBondContact O-N 2.99Å; T301-L305 HydrophobicContact CG2-CD1 3.88Å; T301-L305 HydrophobicContact CG2-CG 4.46Å; T301-L305 WeakPolarHBondContact O-CB 3.46Å; T301-L305 VanDerWaalsContact O-CG 3.3Å; T301-L305 WeakPolarHBondContact O-CG 3.4Å; T301-L305 PolarHBondContact O-N 3.42Å
302D97.9Very high96.2Very high38 Ų3868.4 Ų68.420%0.20334%0.335CS..Hα-helixtrans-65.9-37.8-179.9-77.8-6.8000113.2K107 K298 E300 N306K107-D302 HydrophobicContact CD-CB 4.27Å; K107-D302 WeakPolarHBondContact CD-OD1 3.35Å; K107-D302 PolarHBondContact NZ-O 2.97Å; K298-D302 IonicContact NZ-OD1 2.85Å; K298-D302 PolarHBondContact NZ-OD1 2.93Å; K298-D302 IonicContact NZ-OD2 3.37Å; K298-D302 PolarHBondContact NZ-OD2 2.77Å; K298-D302 WeakPolarHBondContact O-CB 3.22Å; K298-D302 PolarHBondContact O-N 3.11Å; E300-D302 PolarHBondContact O-N 2.74Å; D302-N306 WeakPolarHBondContact O-CB 3.48Å; D302-N306 VanDerWaalsContact O-CG 3.23Å; D302-N306 PolarHBondContact O-N 2.83Å; D302-N306 PolarHBondContact O-ND2 3.31Å; D302-N306 VanDerWaalsContact O-ND2 3.14Å
303S97.6Very high95.5Very high55 Ų5567.5 Ų67.539%0.38533%0.326SS..Hα-helixtrans-65.2-49.6176.7-58.80000110.8K299 E300 T301 L305 N306 E307K299-S303 WeakPolarHBondContact O-CB 3.42Å; K299-S303 PolarHBondContact O-N 3.37Å; K299-S303 PolarHBondContact O-OG 2.88Å; E300-S303 PolarHBondContact O-N 3.3Å; T301-S303 PolarHBondContact O-N 3.3Å; S303-L305 PolarHBondContact O-N 3.22Å; S303-N306 WeakPolarHBondContact O-CB 3.44Å; S303-N306 PolarHBondContact O-N 2.89Å; S303-E307 PolarHBondContact O-N 3.4Å
304R97.5Very high94.8Very high84 Ų8469 Ų6932%0.31734%0.339SS..Hα-helixtrans-58.2-47.2176.4179.6-179.855.672.13.1111.7L138 E300 T301 N306 E307 E308L138-R304 PolarHBondContact O-NH2 2.87Å; E300-R304 WeakPolarHBondContact O-CB 3.4Å; E300-R304 PolarHBondContact O-N 3.17Å; T301-R304 PolarHBondContact O-N 2.99Å; R304-N306 VanDerWaalsContact C-N 3.33Å; R304-N306 PolarHBondContact O-N 3.29Å; R304-E307 PolarHBondContact O-N 3.41Å; R304-E308 WeakPolarHBondContact CD-OE1 3.38Å; R304-E308 VanDerWaalsContact CG-OE1 3.26Å; R304-E308 WeakPolarHBondContact CG-OE1 3.23Å; R304-E308 IonicContact CZ-OE1 3.47Å; R304-E308 IonicContact NH1-OE1 2.82Å; R304-E308 PolarHBondContact NH1-OE1 3.34Å; R304-E308 IonicContact NH1-OE2 3.57Å; R304-E308 PolarHBondContact NH1-OE2 2.77Å; R304-E308 WeakPolarHBondContact O-CG 3.38Å; R304-E308 PolarHBondContact O-N 2.98Å
305L96.9Very high93.9Very high0 Ų074.7 Ų74.70%037%0.366CS..Hα-helixtrans-66.8-33.1179.5-69.2174.1000112.6K107 P108 L138 T301 S303 E307 E308 F309K107-L305 HydrophobicContact CB-CD1 4.19Å; K107-L305 HydrophobicContact CD-CB 4.37Å; K107-L305 HydrophobicContact CD-CD1 4.42Å; K107-L305 HydrophobicContact CG-CD1 4.02Å; P108-L305 HydrophobicContact CG-CD1 4.13Å; L138-L305 HydrophobicContact CB-CD1 4.21Å; L138-L305 HydrophobicContact CB-CD2 4.22Å; L138-L305 HydrophobicContact CD2-CD2 3.95Å; L138-L305 HydrophobicContact CG-CD2 4.49Å; T301-L305 HydrophobicContact CG2-CD1 3.88Å; T301-L305 HydrophobicContact CG2-CG 4.46Å; T301-L305 WeakPolarHBondContact O-CB 3.46Å; T301-L305 VanDerWaalsContact O-CG 3.3Å; T301-L305 WeakPolarHBondContact O-CG 3.4Å; T301-L305 PolarHBondContact O-N 3.42Å; S303-L305 PolarHBondContact O-N 3.22Å; L305-E307 VanDerWaalsContact C-N 3.33Å; L305-E307 PolarHBondContact O-N 2.93Å; L305-E308 WeakPolarHBondContact CD2-OE2 3.3Å; L305-E308 PolarHBondContact O-N 2.99Å; L305-F309 HydrophobicContact CB-CD2 4.46Å; L305-F309 HydrophobicContact CB-CE2 4.02Å; L305-F309 HydrophobicContact CB-CZ 4.08Å; L305-F309 HydrophobicContact CD2-CE1 4.27Å; L305-F309 HydrophobicContact CD2-CZ 4.19Å; L305-F309 VanDerWaalsContact O-CB 3.28Å; L305-F309 WeakPolarHBondContact O-CB 3.36Å; L305-F309 VanDerWaalsContact O-CD2 3.26Å; L305-F309 WeakPolarHBondContact O-CD2 3.49Å; L305-F309 WeakPolarHBondContact O-CG 3.34Å; L305-F309 PolarHBondContact O-N 3.24Å
306N95.7Very high92.9Very high79 Ų7975.4 Ų75.442%0.42237%0.37SS..Hα-helixtrans-59-46.3172.5-82.8-31.9000111.4K107 D302 S303 R304 L310K107-N306 PolarHBondContact NZ-ND2 2.79Å; K107-N306 PolarHBondContact NZ-OD1 2.76Å; D302-N306 WeakPolarHBondContact O-CB 3.48Å; D302-N306 VanDerWaalsContact O-CG 3.23Å; D302-N306 PolarHBondContact O-N 2.83Å; D302-N306 PolarHBondContact O-ND2 3.31Å; D302-N306 VanDerWaalsContact O-ND2 3.14Å; S303-N306 WeakPolarHBondContact O-CB 3.44Å; S303-N306 PolarHBondContact O-N 2.89Å; R304-N306 VanDerWaalsContact C-N 3.33Å; R304-N306 PolarHBondContact O-N 3.29Å; N306-L310 WeakPolarHBondContact O-CB 3.44Å; N306-L310 WeakPolarHBondContact O-CG 3.47Å; N306-L310 PolarHBondContact O-N 3.44Å
307E95.2Very high91.7Very high140 Ų14077 Ų7765%0.65438%0.381SS*.Hα-helixtrans-63.5-46.2178.2-67.5173.1-172.200111.3S303 R304 L305 L310 A311S303-E307 PolarHBondContact O-N 3.4Å; R304-E307 PolarHBondContact O-N 3.41Å; L305-E307 VanDerWaalsContact C-N 3.33Å; L305-E307 PolarHBondContact O-N 2.93Å; E307-L310 PolarHBondContact O-N 2.83Å; E307-A311 WeakPolarHBondContact O-CB 3.48Å; E307-A311 PolarHBondContact O-N 3.32Å
308E93.4Very high90.4Very high87 Ų8780.6 Ų80.641%0.40740%0.403SS..Hα-helixtrans-61.2-45.1177.4-71.2173.2-164.100112.1R304 L305 A311 K312R304-E308 WeakPolarHBondContact CD-OE1 3.38Å; R304-E308 VanDerWaalsContact CG-OE1 3.26Å; R304-E308 WeakPolarHBondContact CG-OE1 3.23Å; R304-E308 IonicContact CZ-OE1 3.47Å; R304-E308 IonicContact NH1-OE1 2.82Å; R304-E308 PolarHBondContact NH1-OE1 3.34Å; R304-E308 IonicContact NH1-OE2 3.57Å; R304-E308 PolarHBondContact NH1-OE2 2.77Å; R304-E308 WeakPolarHBondContact O-CG 3.38Å; R304-E308 PolarHBondContact O-N 2.98Å; L305-E308 WeakPolarHBondContact CD2-OE2 3.3Å; L305-E308 PolarHBondContact O-N 2.99Å; E308-A311 PolarHBondContact O-N 3.04Å; E308-K312 PolarHBondContact O-N 2.72Å
309F92.3Very high88.9Confident31 Ų3184.9 Ų84.914%0.13643%0.428CS..Hα-helixtrans-67.2-38.5179-63.4-18.2000112.2E105 K107 L138 L305 K313E105-F309 HydrophobicContact CB-CD2 4.38Å; E105-F309 HydrophobicContact CB-CE2 4.43Å; K107-F309 HydrophobicContact CG-CE2 3.92Å; L138-F309 HydrophobicContact CD1-CZ 4.43Å; L305-F309 HydrophobicContact CB-CD2 4.46Å; L305-F309 HydrophobicContact CB-CE2 4.02Å; L305-F309 HydrophobicContact CB-CZ 4.08Å; L305-F309 HydrophobicContact CD2-CE1 4.27Å; L305-F309 HydrophobicContact CD2-CZ 4.19Å; L305-F309 VanDerWaalsContact O-CB 3.28Å; L305-F309 WeakPolarHBondContact O-CB 3.36Å; L305-F309 VanDerWaalsContact O-CD2 3.26Å; L305-F309 WeakPolarHBondContact O-CD2 3.49Å; L305-F309 WeakPolarHBondContact O-CG 3.34Å; L305-F309 PolarHBondContact O-N 3.24Å; F309-K313 WeakPolarHBondContact O-CB 3.47Å; F309-K313 WeakPolarHBondContact O-CG 3.47Å; F309-K313 PolarHBondContact O-N 3.02Å
310L91.4Very high86.9Confident111 Ų11180.9 Ų80.958%0.58143%0.43SS*.Hα-helixtrans-65.5-41.3174-74.1170.8000111.8N306 E307 S314N306-L310 WeakPolarHBondContact O-CB 3.44Å; N306-L310 WeakPolarHBondContact O-CG 3.47Å; N306-L310 PolarHBondContact O-N 3.44Å; E307-L310 PolarHBondContact O-N 2.83Å; L310-S314 WeakPolarHBondContact O-CB 3.31Å; L310-S314 PolarHBondContact O-N 3.44Å; L310-S314 PolarHBondContact O-OG 3.36Å
311A91.1Very high84.3Confident50 Ų5086.4 Ų86.441%0.41346%0.456SS..Hα-helixtrans-62.5-46.3175.900000111.5E307 E308 S314 Q315E307-A311 WeakPolarHBondContact O-CB 3.48Å; E307-A311 PolarHBondContact O-N 3.32Å; E308-A311 PolarHBondContact O-N 3.04Å; A311-S314 WeakPolarHBondContact O-CB 3.46Å; A311-S314 PolarHBondContact O-N 3.44Å; A311-Q315 WeakPolarHBondContact O-CG 3.49Å; A311-Q315 PolarHBondContact O-N 3.28Å
312K86.2Confident83.6Confident71 Ų7190.4 Ų90.431%0.30948%0.477SS..Hα-helixtrans-61.1-47.5177-175.1169.4179.4170.90111.9E168 E308 S314 Q315 D316E168-K312 IonicContact OE1-NZ 2.8Å; E168-K312 PolarHBondContact OE1-NZ 2.96Å; E168-K312 IonicContact OE2-NZ 3.82Å; E308-K312 PolarHBondContact O-N 2.72Å; K312-S314 PolarHBondContact O-N 3.37Å; K312-Q315 PolarHBondContact O-N 3.47Å; K312-Q315 VanDerWaalsContact O-N 3.14Å; K312-D316 PolarHBondContact O-N 2.93Å
313K83.9Confident82.9Confident103 Ų10393.2 Ų93.245%0.44849%0.492SS..Hα-helixtrans-58.8-34.1175.4-76.6-178.2179.6-174.40113.2E105 F309 K317E105-K313 WeakPolarHBondContact OE1-CE 3.3Å; E105-K313 IonicContact OE1-NZ 2.78Å; E105-K313 PolarHBondContact OE1-NZ 2.75Å; F309-K313 WeakPolarHBondContact O-CB 3.47Å; F309-K313 WeakPolarHBondContact O-CG 3.47Å; F309-K313 PolarHBondContact O-N 3.02Å; K313-K317 WeakPolarHBondContact O-CG 3.47Å; K313-K317 PolarHBondContact O-N 3.46Å
314S84Confident82Confident71 Ų7195.3 Ų95.350%0.49750%0.497SS..Hα-helixtrans-71.8-40.9178-57.20000111.1L310 A311 K312 K317 T318L310-S314 WeakPolarHBondContact O-CB 3.31Å; L310-S314 PolarHBondContact O-N 3.44Å; L310-S314 PolarHBondContact O-OG 3.36Å; A311-S314 WeakPolarHBondContact O-CB 3.46Å; A311-S314 PolarHBondContact O-N 3.44Å; K312-S314 PolarHBondContact O-N 3.37Å; S314-K317 PolarHBondContact O-N 3.01Å; S314-T318 PolarHBondContact O-N 3.28Å; S314-T318 VanDerWaalsContact O-N 3.14Å; S314-T318 PolarHBondContact O-OG1 2.98Å
315Q79.9Confident81.1Confident120 Ų12095.9 Ų95.956%0.56151%0.508SS*.Hα-helixtrans-64.6-41.3174.6-71.4177-6.300112.7A311 K312 K317 T318 N319A311-Q315 WeakPolarHBondContact O-CG 3.49Å; A311-Q315 PolarHBondContact O-N 3.28Å; K312-Q315 PolarHBondContact O-N 3.47Å; K312-Q315 VanDerWaalsContact O-N 3.14Å; Q315-K317 VanDerWaalsContact C-N 3.3Å; Q315-K317 PolarHBondContact O-N 2.8Å; Q315-T318 WeakPolarHBondContact CA-OG1 3.31Å; Q315-T318 PolarHBondContact O-N 3.09Å; Q315-T318 PolarHBondContact O-OG1 2.9Å; Q315-N319 WeakPolarHBondContact O-CB 3.33Å; Q315-N319 PolarHBondContact O-N 3.01Å; Q315-N319 PolarHBondContact O-ND2 2.94Å
316D78Confident80.2Confident91 Ų91101.9 Ų101.949%0.48754%0.54SS..Hα-helixtrans-65-36.2177.8-68.1-21.5000111.6K312 G320K312-D316 PolarHBondContact O-N 2.93Å; D316-G320 PolarHBondContact O-N 2.95Å
317K72.8Confident79.1Confident159 Ų159103.5 Ų103.569%0.69155%0.548SS*.Hα-helixtrans-67.3-36.6173.9-77.3179.9179.9-176.70112.9K313 S314 Q315K313-K317 WeakPolarHBondContact O-CG 3.47Å; K313-K317 PolarHBondContact O-N 3.46Å; S314-K317 PolarHBondContact O-N 3.01Å; Q315-K317 VanDerWaalsContact C-N 3.3Å; Q315-K317 PolarHBondContact O-N 2.8Å
318T71.4Confident78Confident92 Ų92100.9 Ų100.956%0.56454%0.54SS*.Hα-helixtrans-75.1-29.7177.750.40000112.9S314 Q315S314-T318 PolarHBondContact O-N 3.28Å; S314-T318 VanDerWaalsContact O-N 3.14Å; S314-T318 PolarHBondContact O-OG1 2.98Å; Q315-T318 WeakPolarHBondContact CA-OG1 3.31Å; Q315-T318 PolarHBondContact O-N 3.09Å; Q315-T318 PolarHBondContact O-OG1 2.9Å
319N67Low76.8Confident130 Ų130101.9 Ų101.970%0.69555%0.55SS**Hα-helixtrans-87.5-13.8179.3-67.8-20.3000113.6Q315Q315-N319 WeakPolarHBondContact O-CB 3.33Å; Q315-N319 PolarHBondContact O-N 3.01Å; Q315-N319 PolarHBondContact O-ND2 2.94Å
320G57.4Low75.5Confident69 Ų69107.8 Ų107.871%0.71159%0.585SS**THydrogen-bonded Turntrans-94.64.7177.400000115D316D316-G320 PolarHBondContact O-N 2.95Å
321Q42.9Very low74Confident227 Ų227107.5 Ų107.5100%1.06159%0.585SS**  trans-102.50168.9-72-175.2-1800109.8

Retrieved 321 of 321 residues in 99 ms (Link to these results)

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