A0A3Q0KVF5_SCHMA Loading...

Putative glucose-methanol-choline (Gmc) oxidoreductase

AlphaFold DB , UniProt , Accession A0A3Q0KVF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 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
1M55.6Low55.2Low174 Ų17484.6 Ų84.686%0.85741%0.408SS*.  0-60.30-91.3171.360.300112.7I3 L4 F5M1-I3 PolarHBondContact O-N 2.01Å; M1-L4 WeakPolarHBondContact O-CA 3.03Å; M1-L4 WeakPolarHBondContact O-CB 2.91Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-F5 HydrophobicContact CB-CD2 4.49Å; M1-F5 HydrophobicContact CB-CE2 4.44Å; M1-F5 HydrophobicContact CE-CE2 3.92Å; M1-F5 WeakPolarHBondContact O-CD2 3.06Å; M1-F5 PolarHBondContact O-N 3.32Å
2Y58.9Low54.2Low35 Ų3582.1 Ų82.114%0.13740%0.398CS..Hα-helixtrans-47.8-50.2-176.7-171.4-98.4000114.4L4 F5 I6 L12 I14 I122Y2-L4 VanDerWaalsContact C-N 3.27Å; Y2-L4 PolarHBondContact O-N 2.74Å; Y2-F5 WeakPolarHBondContact O-CB 3.39Å; Y2-F5 PolarHBondContact O-N 3.44Å; Y2-F5 VanDerWaalsContact O-N 3.08Å; Y2-I6 HydrophobicContact CD1-CD1 3.57Å; Y2-I6 HydrophobicContact CD1-CG1 4.45Å; Y2-I6 HydrophobicContact CE1-CD1 3.26Å; Y2-I6 HydrophobicContact CE1-CG1 4.15Å; Y2-I6 PolarHBondContact O-N 3.35Å; Y2-I6 VanDerWaalsContact O-N 3.07Å; Y2-L12 HydrophobicContact CD2-CB 4.49Å; Y2-L12 HydrophobicContact CD2-CD1 3.57Å; Y2-L12 HydrophobicContact CE2-CB 3.95Å; Y2-L12 HydrophobicContact CE2-CD1 3.86Å; Y2-L12 HydrophobicContact CG-CD1 4.45Å; Y2-I14 HydrophobicContact CE2-CD1 4.22Å; Y2-I14 HydrophobicContact CE2-CG1 4.05Å; Y2-I122 HydrophobicContact CD1-CD1 3.9Å; Y2-I122 HydrophobicContact CD1-CG1 4.25Å; Y2-I122 HydrophobicContact CE1-CD1 3.35Å; Y2-I122 HydrophobicContact CE1-CG1 3.95Å; Y2-I122 HydrophobicContact CE2-CD1 4.15Å; Y2-I122 HydrophobicContact CG-CD1 4.5Å
3I57.5Low53.4Low16 Ų1689.4 Ų89.48%0.08242%0.421CS..Hα-helixtrans-62.8-32.3178-60.1173000112.5M1 R7 L128 L402 I407 L418M1-I3 PolarHBondContact O-N 2.01Å; I3-R7 PolarHBondContact O-N 3.11Å; I3-R7 VanDerWaalsContact O-N 3.07Å; I3-L128 HydrophobicContact CD1-CD1 4.07Å; I3-L128 HydrophobicContact CG1-CD1 4.12Å; I3-L402 HydrophobicContact CG2-CB 4.23Å; I3-I407 HydrophobicContact CB-CD1 3.63Å; I3-I407 HydrophobicContact CB-CG1 4.37Å; I3-I407 HydrophobicContact CD1-CD1 3.71Å; I3-I407 HydrophobicContact CD1-CG1 3.66Å; I3-I407 HydrophobicContact CD1-CG2 4.27Å; I3-I407 HydrophobicContact CG1-CD1 4.22Å; I3-I407 HydrophobicContact CG2-CD1 3.58Å; I3-I407 HydrophobicContact CG2-CG1 4.03Å; I3-L418 HydrophobicContact CD1-CD1 4.35Å
4L60.5Low52.8Low54 Ų5485.6 Ų85.628%0.28340%0.404SS..Hα-helixtrans-72.4-32.4175.2-69.7173.4000112.3M1 Y2 R7 N8 L404M1-L4 WeakPolarHBondContact O-CA 3.03Å; M1-L4 WeakPolarHBondContact O-CB 2.91Å; M1-L4 PolarHBondContact O-N 3.15Å; Y2-L4 VanDerWaalsContact C-N 3.27Å; Y2-L4 PolarHBondContact O-N 2.74Å; L4-R7 PolarHBondContact O-N 3.31Å; L4-N8 PolarHBondContact O-N 3Å; L4-N8 PolarHBondContact O-ND2 2.98Å; L4-L404 HydrophobicContact CD1-CD2 3.91Å; L4-L404 HydrophobicContact CD2-CD2 4.03Å; L4-L404 HydrophobicContact CD2-CG 4.08Å; L4-L404 HydrophobicContact CG-CD2 4.05Å
5F62.3Low51.8Low75 Ų7589.7 Ų89.733%0.32943%0.43SS..Hα-helixtrans-67.6-44.7173.5-85.2-78.2000111.5M1 Y2 R7 N8 G9 Y10 L12M1-F5 HydrophobicContact CB-CD2 4.49Å; M1-F5 HydrophobicContact CB-CE2 4.44Å; M1-F5 HydrophobicContact CE-CE2 3.92Å; M1-F5 WeakPolarHBondContact O-CD2 3.06Å; M1-F5 PolarHBondContact O-N 3.32Å; Y2-F5 WeakPolarHBondContact O-CB 3.39Å; Y2-F5 PolarHBondContact O-N 3.44Å; Y2-F5 VanDerWaalsContact O-N 3.08Å; F5-R7 VanDerWaalsContact C-N 3.28Å; F5-R7 PolarHBondContact O-N 3.44Å; F5-N8 PolarHBondContact O-N 2.91Å; F5-N8 VanDerWaalsContact O-N 3.08Å; F5-G9 PolarHBondContact O-N 3.15Å; F5-Y10 AromaticContact CD1-CD2 3.88Å; F5-Y10 HydrophobicContact CD1-CD2 3.88Å; F5-Y10 AromaticContact CD1-CG 4Å; F5-Y10 HydrophobicContact CD1-CG 4Å; F5-Y10 PolarHBondContact O-N 3.23Å; F5-L12 HydrophobicContact CB-CD1 3.38Å; F5-L12 HydrophobicContact CB-CG 4.19Å; F5-L12 HydrophobicContact CD1-CD1 4.43Å; F5-L12 HydrophobicContact CD2-CD1 3.91Å; F5-L12 HydrophobicContact CG-CD1 3.68Å; F5-L12 HydrophobicContact CG-CG 4.37Å
6I58.3Low51.2Low7 Ų790.1 Ų90.14%0.03643%0.434CS..Hα-helixtrans-55.7-46.3172.9-66.8161.5000110.3Y2 N8 G9 L131Y2-I6 HydrophobicContact CD1-CD1 3.57Å; Y2-I6 HydrophobicContact CD1-CG1 4.45Å; Y2-I6 HydrophobicContact CE1-CD1 3.26Å; Y2-I6 HydrophobicContact CE1-CG1 4.15Å; Y2-I6 PolarHBondContact O-N 3.35Å; Y2-I6 VanDerWaalsContact O-N 3.07Å; I6-N8 PolarHBondContact O-N 3.44Å; I6-G9 PolarHBondContact O-N 3.2Å; I6-L131 HydrophobicContact CD1-CD1 3.55Å; I6-L131 HydrophobicContact CG1-CD1 4.32Å; I6-L131 HydrophobicContact CG2-CD1 3.94Å
7R58.2Low50Low115 Ų11595.6 Ų95.643%0.43446%0.46SS..Hα-helixtrans-56.1-34.1178.5179.5-178.8170-167.3-2.1113.1I3 L4 F5 G9I3-R7 PolarHBondContact O-N 3.11Å; I3-R7 VanDerWaalsContact O-N 3.07Å; L4-R7 PolarHBondContact O-N 3.31Å; F5-R7 VanDerWaalsContact C-N 3.28Å; F5-R7 PolarHBondContact O-N 3.44Å; R7-G9 VanDerWaalsContact C-N 3.33Å
8N56Low49Very low108 Ų10899.8 Ų99.858%0.57848%0.478SS*.THydrogen-bonded Turntrans-92.711.5-177.8-69.6-28.2000113.3L4 F5 I6 Y10L4-N8 PolarHBondContact O-N 3Å; L4-N8 PolarHBondContact O-ND2 2.98Å; F5-N8 PolarHBondContact O-N 2.91Å; F5-N8 VanDerWaalsContact O-N 3.08Å; I6-N8 PolarHBondContact O-N 3.44Å; N8-Y10 VanDerWaalsContact C-N 3.27Å; N8-Y10 HydrophobicContact CB-CD2 3.61Å; N8-Y10 HydrophobicContact CB-CE2 3.66Å; N8-Y10 PolarHBondContact O-N 3.46Å
9G47.3Very low48Very low65 Ų65101.3 Ų101.367%0.6749%0.489SS*.THydrogen-bonded Turntrans73.813.3176.500000114.6F5 I6 R7F5-G9 PolarHBondContact O-N 3.15Å; I6-G9 PolarHBondContact O-N 3.2Å; R7-G9 VanDerWaalsContact C-N 3.33Å
10Y46.7Very low47Very low143 Ų143103.5 Ų103.556%0.56150%0.503SS*.  trans-78.2124.5175.8-69-78.9000110.5F5 N8 L12F5-Y10 AromaticContact CD1-CD2 3.88Å; F5-Y10 HydrophobicContact CD1-CD2 3.88Å; F5-Y10 AromaticContact CD1-CG 4Å; F5-Y10 HydrophobicContact CD1-CG 4Å; F5-Y10 PolarHBondContact O-N 3.23Å; N8-Y10 VanDerWaalsContact C-N 3.27Å; N8-Y10 HydrophobicContact CB-CD2 3.61Å; N8-Y10 HydrophobicContact CB-CE2 3.66Å; N8-Y10 PolarHBondContact O-N 3.46Å; Y10-L12 PolarHBondContact O-N 3.24Å
11R45.5Very low46.2Very low139 Ų139108 Ų10853%0.52552%0.516SS..  trans-72.1103.5166.1-72-172.4-176.5-1684.3108.7D458R11-D458 IonicContact CZ-OD2 2.78Å; R11-D458 IonicContact NE-OD2 2.77Å; R11-D458 PolarHBondContact NE-OD2 3.3Å; R11-D458 VanDerWaalsContact NH2-CG 3.33Å; R11-D458 IonicContact NH2-OD2 3.62Å; R11-D458 PolarHBondContact NH2-OD2 3.35Å
12L43.9Very low45.4Very low54 Ų54105.5 Ų105.528%0.28351%0.506SS..  trans-85.7106.3162.8-79.8164.5000107.7Y2 F5 Y10 I14 R135Y2-L12 HydrophobicContact CD2-CB 4.49Å; Y2-L12 HydrophobicContact CD2-CD1 3.57Å; Y2-L12 HydrophobicContact CE2-CB 3.95Å; Y2-L12 HydrophobicContact CE2-CD1 3.86Å; Y2-L12 HydrophobicContact CG-CD1 4.45Å; F5-L12 HydrophobicContact CB-CD1 3.38Å; F5-L12 HydrophobicContact CB-CG 4.19Å; F5-L12 HydrophobicContact CD1-CD1 4.43Å; F5-L12 HydrophobicContact CD2-CD1 3.91Å; F5-L12 HydrophobicContact CG-CD1 3.68Å; F5-L12 HydrophobicContact CG-CG 4.37Å; Y10-L12 PolarHBondContact O-N 3.24Å; L12-I14 PolarHBondContact O-N 2.97Å; L12-R135 PolarHBondContact O-NH1 2.86Å
13Y43Very low44.5Very low177 Ų177109.8 Ų109.869%0.69454%0.54SS*.  trans-64.4119.2152.8-72.4-85.6000105.7D15Y13-D15 PolarHBondContact O-N 3.06Å
14I45.6Very low44.4Very low36 Ų36113.1 Ų113.119%0.18556%0.557CS.*  trans-74.589.9171.2-57.8175.6000104.1Y2 L12 D16 L118 I122Y2-I14 HydrophobicContact CE2-CD1 4.22Å; Y2-I14 HydrophobicContact CE2-CG1 4.05Å; L12-I14 PolarHBondContact O-N 2.97Å; I14-D16 PolarHBondContact O-N 2.82Å; I14-L118 HydrophobicContact CG2-CD2 4.38Å; I14-I122 HydrophobicContact CD1-CD1 3.76Å
15D37.6Very low45.2Very low148 Ų148114.5 Ų114.579%0.79157%0.565SS**  trans-66.1111.2166.3-104.4-30000106.9Y13 E17Y13-D15 PolarHBondContact O-N 3.06Å; D15-E17 PolarHBondContact O-N 3.1Å
16D42.3Very low46.3Very low95 Ų95113.6 Ų113.651%0.50856%0.563SS.*  trans-77.247.8-176.8-91.8-35.7000111.3I14 E18 S116I14-D16 PolarHBondContact O-N 2.82Å; D16-E18 PolarHBondContact O-N 3.32Å; D16-S116 VanDerWaalsContact OD1-CB 3.23Å; D16-S116 WeakPolarHBondContact OD1-CB 3.27Å; D16-S116 PolarHBondContact OD1-OG 2.85Å
17E30.7Very low47.7Very low184 Ų184118.2 Ų118.286%0.8659%0.585SS**  trans-92.268.6167.8-77.3-162163.900110.5D15D15-E17 PolarHBondContact O-N 3.1Å
18E32.1Very low49.1Very low171 Ų171118.3 Ų118.380%0.79959%0.59SS**  trans-162.895.2159-117.1177.4-166.100112.9D16D16-E18 PolarHBondContact O-N 3.32Å
19L30.7Very low50.6Low129 Ų129114.9 Ų114.968%0.67557%0.571SS**  151.487.3123.1-80.7155.9000111.4Y21L19-Y21 HydrophobicContact CB-CD2 4.43Å; L19-Y21 HydrophobicContact CD2-CD2 4.37Å; L19-Y21 HydrophobicContact CD2-CE2 3.96Å; L19-Y21 PolarHBondContact O-N 3.46Å
20N27.4Very low52.7Low145 Ų145112.8 Ų112.878%0.77555%0.545SS*.  trans-32.5102147.5-88.4-33.3000111.9
21Y31.1Very low54.9Low197 Ų197112.8 Ų112.877%0.77354%0.544SS*.  trans-143.5116.9157-87.6-78000109.7L19L19-Y21 HydrophobicContact CB-CD2 4.43Å; L19-Y21 HydrophobicContact CD2-CD2 4.37Å; L19-Y21 HydrophobicContact CD2-CE2 3.96Å; L19-Y21 PolarHBondContact O-N 3.46Å
22D37.9Very low57.1Low123 Ų123112 Ų11266%0.65854%0.544SS*.  trans69.487.3-176.1-57.2-23.8000114.3I24D22-I24 HydrophobicContact CB-CD1 4.31Å; D22-I24 HydrophobicContact CB-CG1 4.06Å; D22-I24 PolarHBondContact O-N 3.24Å
23C39.5Very low59.5Low125 Ų125109.4 Ų109.485%0.84553%0.531SS*.  trans-61.966.4156-61.10000109.4D25C23-D25 PolarHBondContact O-N 2.96Å
24I55.9Low62Low86 Ų86105.3 Ų105.344%0.44152%0.518SS..  trans-78.2112.7160.1-58.1173.9000103.9D22 D26 Q28 I29D22-I24 HydrophobicContact CB-CD1 4.31Å; D22-I24 HydrophobicContact CB-CG1 4.06Å; D22-I24 PolarHBondContact O-N 3.24Å; I24-D26 PolarHBondContact O-N 3.01Å; I24-Q28 HydrophobicContact CG2-CB 3.87Å; I24-I29 HydrophobicContact CB-CD1 4.35Å; I24-I29 HydrophobicContact CB-CG1 4.16Å; I24-I29 HydrophobicContact CG2-CD1 4.26Å; I24-I29 HydrophobicContact CG2-CG1 3.54Å
25D77.4Confident64.2Low82 Ų82110 Ų11044%0.43954%0.543SS..  trans-45.8129.5171.3174.98.5000109.7C23 E27 Q28 I29C23-D25 PolarHBondContact O-N 2.96Å; D25-E27 PolarHBondContact O-N 3.2Å; D25-E27 VanDerWaalsContact O-N 3.11Å; D25-E27 PolarHBondContact OD1-N 2.02Å; D25-E27 VanDerWaalsContact OD1-N 3.1Å; D25-Q28 HydrophobicContact CB-CB 4.37Å; D25-Q28 HydrophobicContact CB-CG 4.07Å; D25-Q28 WeakPolarHBondContact O-CA 3.25Å; D25-Q28 WeakPolarHBondContact O-CB 3.5Å; D25-Q28 PolarHBondContact O-N 2.68Å; D25-I29 PolarHBondContact O-N 3.18Å; D25-I29 VanDerWaalsContact O-N 3.15Å
26D84.7Confident66.8Low56 Ų56103.9 Ų103.930%0.29951%0.511SS..Hα-helixtrans-54.2-33.1-179.6-77.9-36.2000110.6I24 Q28 I29 I30 Y312 K313I24-D26 PolarHBondContact O-N 3.01Å; D26-Q28 PolarHBondContact O-N 3.07Å; D26-I29 PolarHBondContact O-N 3.48Å; D26-I30 VanDerWaalsContact O-CG1 3.25Å; D26-I30 WeakPolarHBondContact O-CG1 3Å; D26-I30 PolarHBondContact O-N 3.19Å; D26-Y312 HydrophobicContact CB-CE1 4.02Å; D26-Y312 VanDerWaalsContact OD1-CE1 3.31Å; D26-Y312 WeakPolarHBondContact OD1-CE1 3.36Å; D26-Y312 PolarHBondContact OD1-OH 3.01Å; D26-K313 VanDerWaalsContact CG-NZ 3.26Å; D26-K313 IonicContact OD1-NZ 3.77Å; D26-K313 PolarHBondContact OD1-NZ 2.73Å; D26-K313 WeakPolarHBondContact OD2-CD 3.28Å; D26-K313 IonicContact OD2-NZ 2.72Å; D26-K313 PolarHBondContact OD2-NZ 2.7Å
27E87.5Confident69.1Low104 Ų104103.4 Ų103.449%0.48651%0.506SS..Hα-helixtrans-63-38.9172.4-75-161.5-174.100113.2D25 I29 I30 R31D25-E27 PolarHBondContact O-N 3.2Å; D25-E27 VanDerWaalsContact O-N 3.11Å; D25-E27 PolarHBondContact OD1-N 2.02Å; D25-E27 VanDerWaalsContact OD1-N 3.1Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I30 PolarHBondContact O-N 2.98Å; E27-R31 WeakPolarHBondContact O-CB 3.04Å; E27-R31 VanDerWaalsContact O-CG 3.25Å; E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.4Å; E27-R31 IonicContact OE2-CZ 2.62Å; E27-R31 IonicContact OE2-NE 3.87Å; E27-R31 IonicContact OE2-NH2 2.86Å; E27-R31 PolarHBondContact OE2-NH2 3.13Å
28Q88.2Confident72.2Confident117 Ų11794.7 Ų94.755%0.54747%0.465SS..Hα-helixtrans-67.2-37.4177.1-71.7-176.517.800111.5I24 D25 D26 K32I24-Q28 HydrophobicContact CG2-CB 3.87Å; D25-Q28 HydrophobicContact CB-CB 4.37Å; D25-Q28 HydrophobicContact CB-CG 4.07Å; D25-Q28 WeakPolarHBondContact O-CA 3.25Å; D25-Q28 WeakPolarHBondContact O-CB 3.5Å; D25-Q28 PolarHBondContact O-N 2.68Å; D26-Q28 PolarHBondContact O-N 3.07Å; Q28-K32 VanDerWaalsContact O-CB 3.23Å; Q28-K32 WeakPolarHBondContact O-CB 3.4Å; Q28-K32 PolarHBondContact O-N 2.94Å
29I87.5Confident75.1Confident36 Ų3686.9 Ų86.919%0.18543%0.429CS..Hα-helixtrans-61-52.5173.4-61.5177.6000109.2I24 D25 D26 E27 R31 K32 L33 Y312I24-I29 HydrophobicContact CB-CD1 4.35Å; I24-I29 HydrophobicContact CB-CG1 4.16Å; I24-I29 HydrophobicContact CG2-CD1 4.26Å; I24-I29 HydrophobicContact CG2-CG1 3.54Å; D25-I29 PolarHBondContact O-N 3.18Å; D25-I29 VanDerWaalsContact O-N 3.15Å; D26-I29 PolarHBondContact O-N 3.48Å; E27-I29 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 3.1Å; I29-K32 PolarHBondContact O-N 2.96Å; I29-L33 HydrophobicContact CG2-CD1 3.86Å; I29-L33 HydrophobicContact CG2-CG 4.33Å; I29-L33 VanDerWaalsContact O-CG 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.46Å; I29-L33 PolarHBondContact O-N 3.48Å; I29-Y312 HydrophobicContact CG2-CE1 4.45Å
30I92.3Very high78.3Confident22 Ų2280.7 Ų80.711%0.11340%0.397CS..Hα-helixtrans-57-50.8179.7-66.3168.5000110.6D26 E27 K32 L33 Q34 Y312 H315 F317D26-I30 VanDerWaalsContact O-CG1 3.25Å; D26-I30 WeakPolarHBondContact O-CG1 3Å; D26-I30 PolarHBondContact O-N 3.19Å; E27-I30 PolarHBondContact O-N 2.98Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 3.39Å; I30-L33 PolarHBondContact O-N 3.47Å; I30-Q34 HydrophobicContact CG2-CG 4.32Å; I30-Q34 WeakPolarHBondContact O-CG 3.48Å; I30-Q34 PolarHBondContact O-N 2.98Å; I30-Y312 HydrophobicContact CD1-CD1 4.29Å; I30-Y312 HydrophobicContact CG1-CD1 4.04Å; I30-H315 HydrophobicContact CD1-CB 3.97Å; I30-F317 HydrophobicContact CB-CE1 4.32Å; I30-F317 HydrophobicContact CB-CZ 4.42Å; I30-F317 HydrophobicContact CD1-CE1 4.32Å; I30-F317 HydrophobicContact CG1-CD1 4.24Å; I30-F317 HydrophobicContact CG1-CE1 3.67Å; I30-F317 HydrophobicContact CG1-CZ 4.03Å; I30-F317 HydrophobicContact CG2-CD1 3.87Å; I30-F317 HydrophobicContact CG2-CD2 4.26Å; I30-F317 HydrophobicContact CG2-CE1 4.02Å; I30-F317 HydrophobicContact CG2-CE2 4.38Å; I30-F317 HydrophobicContact CG2-CG 4.01Å; I30-F317 HydrophobicContact CG2-CZ 4.27Å
31R92.8Very high81.7Confident143 Ų14373.8 Ų73.854%0.5436%0.36SS..Hα-helixtrans-60-42178.7-72.6177.8-165.2-173.58.6111.9E27 I29 N35E27-R31 WeakPolarHBondContact O-CB 3.04Å; E27-R31 VanDerWaalsContact O-CG 3.25Å; E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.4Å; E27-R31 IonicContact OE2-CZ 2.62Å; E27-R31 IonicContact OE2-NE 3.87Å; E27-R31 IonicContact OE2-NH2 2.86Å; E27-R31 PolarHBondContact OE2-NH2 3.13Å; I29-R31 PolarHBondContact O-N 3.1Å; R31-N35 VanDerWaalsContact O-CB 3.23Å; R31-N35 WeakPolarHBondContact O-CB 3.35Å; R31-N35 VanDerWaalsContact O-CG 3.22Å; R31-N35 PolarHBondContact O-N 2.87Å; R31-N35 PolarHBondContact O-ND2 3.02Å; R31-N35 VanDerWaalsContact O-ND2 3.12Å
32K92Very high84.9Confident121 Ų12164.4 Ų64.453%0.52632%0.323SS..Hα-helixtrans-61.9-44.6176.7-178.1-179.7177.3-175.90111Q28 I29 I30 T36Q28-K32 VanDerWaalsContact O-CB 3.23Å; Q28-K32 WeakPolarHBondContact O-CB 3.4Å; Q28-K32 PolarHBondContact O-N 2.94Å; I29-K32 PolarHBondContact O-N 2.96Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 3.39Å; K32-T36 WeakPolarHBondContact O-CB 3.38Å; K32-T36 PolarHBondContact O-N 3.37Å; K32-T36 PolarHBondContact O-OG1 3.12Å
33L94.3Very high87.8Confident1 Ų158.6 Ų58.61%0.00529%0.292CS..Hα-helixtrans-66.2-42.9179.7-68.2173.7000112.1I29 I30 Y38 L107 T283 V285 I288 F317 I319I29-L33 HydrophobicContact CG2-CD1 3.86Å; I29-L33 HydrophobicContact CG2-CG 4.33Å; I29-L33 VanDerWaalsContact O-CG 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.46Å; I29-L33 PolarHBondContact O-N 3.48Å; I30-L33 PolarHBondContact O-N 3.47Å; L33-Y38 WeakPolarHBondContact CD2-OH 3.32Å; L33-L107 HydrophobicContact CD2-CD1 3.74Å; L33-L107 HydrophobicContact CD2-CD2 4.2Å; L33-T283 HydrophobicContact CD2-CG2 4.36Å; L33-V285 HydrophobicContact CD1-CG2 4.26Å; L33-V285 HydrophobicContact CD2-CG2 4.05Å; L33-I288 HydrophobicContact CD1-CD1 4.04Å; L33-F317 HydrophobicContact CB-CE2 3.85Å; L33-F317 HydrophobicContact CB-CZ 4.47Å; L33-F317 HydrophobicContact CD1-CE2 3.97Å; L33-F317 HydrophobicContact CD1-CZ 3.8Å; L33-I319 HydrophobicContact CB-CD1 4.03Å; L33-I319 HydrophobicContact CB-CG1 4.23Å; L33-I319 HydrophobicContact CD1-CD1 4.13Å; L33-I319 HydrophobicContact CD2-CD1 4.3Å; L33-I319 HydrophobicContact CG-CD1 4.39Å
34Q93.5Very high90.6Very high90 Ų9052.9 Ų52.942%0.42125%0.254SS..Hα-helixtrans-67.3-36.5178.2-71.8178.9-50.700112.9I30 F317I30-Q34 HydrophobicContact CG2-CG 4.32Å; I30-Q34 WeakPolarHBondContact O-CG 3.48Å; I30-Q34 PolarHBondContact O-N 2.98Å; Q34-F317 HydrophobicContact CG-CB 4.31Å; Q34-F317 HydrophobicContact CG-CD2 3.62Å; Q34-F317 HydrophobicContact CG-CE2 4.35Å; Q34-F317 HydrophobicContact CG-CG 4.24Å
35N93.4Very high92.5Very high135 Ų13548.8 Ų48.872%0.72223%0.233SC*.Hα-helixtrans-89.1-6-177.1-66.5-28.4000113.6R31R31-N35 VanDerWaalsContact O-CB 3.23Å; R31-N35 WeakPolarHBondContact O-CB 3.35Å; R31-N35 VanDerWaalsContact O-CG 3.22Å; R31-N35 PolarHBondContact O-N 2.87Å; R31-N35 PolarHBondContact O-ND2 3.02Å; R31-N35 VanDerWaalsContact O-ND2 3.12Å
36T91.7Very high93.4Very high20 Ų2045.4 Ų45.412%0.12322%0.218CC..  trans-101.3128.8178.8-59.10000110.5K32 Y38 K105K32-T36 WeakPolarHBondContact O-CB 3.38Å; K32-T36 PolarHBondContact O-N 3.37Å; K32-T36 PolarHBondContact O-OG1 3.12Å; T36-Y38 HydrophobicContact CG2-CD1 4.17Å; T36-Y38 HydrophobicContact CG2-CD2 4.2Å; T36-Y38 HydrophobicContact CG2-CE1 3.66Å; T36-Y38 HydrophobicContact CG2-CE2 3.67Å; T36-Y38 HydrophobicContact CG2-CG 4.43Å; T36-Y38 WeakPolarHBondContact O-CD2 3.32Å; T36-Y38 VanDerWaalsContact O-CE2 3.3Å; T36-Y38 WeakPolarHBondContact O-CE2 3.39Å; T36-K105 HydrophobicContact CG2-CD 3.73Å
37Q90.7Very high93.9Very high85 Ų8543.8 Ų43.840%0.39721%0.21SC..  trans-90.5137.7165.6-76.3-172.7-17.800110.4K105 K322 T323Q37-K105 WeakPolarHBondContact O-CD 3.12Å; Q37-K322 HydrophobicContact CB-CB 4.17Å; Q37-K322 HydrophobicContact CB-CG 4.47Å; Q37-T323 PolarHBondContact NE2-OG1 3.1Å
38Y94.6Very high94.4Very high1 Ų138.9 Ų38.90%0.00419%0.187CC..BIsolated β-bridgetrans-116.4145.3-175.8-64.2-83.7000111.7L33 T36 I41 K105 L107 I319 K320 K322L33-Y38 WeakPolarHBondContact CD2-OH 3.32Å; T36-Y38 HydrophobicContact CG2-CD1 4.17Å; T36-Y38 HydrophobicContact CG2-CD2 4.2Å; T36-Y38 HydrophobicContact CG2-CE1 3.66Å; T36-Y38 HydrophobicContact CG2-CE2 3.67Å; T36-Y38 HydrophobicContact CG2-CG 4.43Å; T36-Y38 WeakPolarHBondContact O-CD2 3.32Å; T36-Y38 VanDerWaalsContact O-CE2 3.3Å; T36-Y38 WeakPolarHBondContact O-CE2 3.39Å; Y38-I41 HydrophobicContact CG-CG1 4.48Å; Y38-K105 HydrophobicContact CD1-CD 4.23Å; Y38-K105 HydrophobicContact CD1-CG 3.95Å; Y38-K105 HydrophobicContact CE1-CD 4.45Å; Y38-K105 HydrophobicContact CE1-CG 4.31Å; Y38-L107 HydrophobicContact CD1-CB 3.54Å; Y38-L107 HydrophobicContact CD2-CB 4.23Å; Y38-L107 HydrophobicContact CD2-CD2 3.96Å; Y38-L107 HydrophobicContact CE1-CB 3.68Å; Y38-L107 HydrophobicContact CE1-CD1 4.34Å; Y38-L107 HydrophobicContact CE1-CD2 4.44Å; Y38-L107 HydrophobicContact CE1-CG 4.38Å; Y38-L107 HydrophobicContact CE2-CB 4.36Å; Y38-L107 HydrophobicContact CE2-CD2 3.76Å; Y38-L107 HydrophobicContact CG-CB 3.82Å; Y38-L107 HydrophobicContact CG-CD2 4.38Å; Y38-I319 HydrophobicContact CD2-CG2 3.83Å; Y38-I319 HydrophobicContact CE2-CG2 3.82Å; Y38-K320 PolarHBondContact N-O 3.42Å; Y38-K322 WeakPolarHBondContact O-CB 3.4Å; Y38-K322 PolarHBondContact O-N 3.38Å
39D94.8Very high94.9Very high6 Ų633.3 Ų33.33%0.03216%0.161CC..SBendtrans-75.5-42.1170.8-59.4-58.5000109.5Y102 P104 K105 K322 P333 P335 E336D39-Y102 PolarHBondContact OD1-OH 2.93Å; D39-Y102 PolarHBondContact OD2-OH 3.02Å; D39-P104 HydrophobicContact CB-CB 4.49Å; D39-K105 PolarHBondContact N-O 3.33Å; D39-K105 WeakPolarHBondContact OD2-CB 3.44Å; D39-K105 PolarHBondContact OD2-N 2.82Å; D39-K322 VanDerWaalsContact OD1-CD 3.25Å; D39-K322 WeakPolarHBondContact OD1-CD 3.41Å; D39-K322 IonicContact OD1-NZ 3.95Å; D39-K322 PolarHBondContact OD1-NZ 2.97Å; D39-P333 HydrophobicContact CB-CG 3.78Å; D39-P335 CarbonylContact O-C 3.03Å; D39-P335 WeakPolarHBondContact O-CA 3.34Å; D39-E336 PolarHBondContact O-N 3.2Å
40F97.6Very high95.3Very high0 Ų031.6 Ų31.60%015%0.152CC..EExtended strand (participates in β ladder)trans-130.4129.3176.5-57.4-70.4000111.3L56 F60 P104 K105 I106 L107 P333 E336 L338 I675F40-L56 HydrophobicContact CD2-CD1 4.39Å; F40-L56 HydrophobicContact CG-CD1 4.27Å; F40-F60 HydrophobicContact CE2-CD2 4.17Å; F40-F60 AromaticContact CE2-CE2 3.5Å; F40-F60 HydrophobicContact CE2-CE2 3.5Å; F40-F60 AromaticContact CE2-CZ 3.94Å; F40-F60 HydrophobicContact CE2-CZ 3.94Å; F40-F60 AromaticContact CZ-CE2 3.58Å; F40-F60 HydrophobicContact CZ-CE2 3.58Å; F40-F60 AromaticContact CZ-CZ 3.7Å; F40-F60 HydrophobicContact CZ-CZ 3.7Å; F40-P104 HydrophobicContact CD2-CB 3.95Å; F40-P104 HydrophobicContact CE2-CB 3.8Å; F40-K105 PolarHBondContact N-O 3.11Å; F40-I106 HydrophobicContact CB-CG1 4.42Å; F40-I106 HydrophobicContact CD2-CG1 4.16Å; F40-L107 PolarHBondContact O-N 2.83Å; F40-P333 HydrophobicContact CE2-CB 4.35Å; F40-P333 HydrophobicContact CE2-CG 4.03Å; F40-P333 HydrophobicContact CZ-CB 4.02Å; F40-P333 HydrophobicContact CZ-CG 4.14Å; F40-E336 WeakPolarHBondContact CA-O 3.35Å; F40-E336 HydrophobicContact CD1-CB 4.18Å; F40-E336 HydrophobicContact CE1-CB 4.33Å; F40-L338 HydrophobicContact CD1-CD1 4.39Å; F40-I675 HydrophobicContact CE1-CG2 3.62Å; F40-I675 HydrophobicContact CZ-CG2 3.77Å
41I98.3Very high95.6Very high0 Ų030.5 Ų30.50%015%0.147CC..EExtended strand (participates in β ladder)trans-109.5112.9168.2-60.3172000107.5Y38 L107 L109 V308 I319 L321 E336 I337 L338Y38-I41 HydrophobicContact CG-CG1 4.48Å; I41-L107 HydrophobicContact CG1-CD2 4.37Å; I41-L107 HydrophobicContact CG2-CD2 4.37Å; I41-L109 HydrophobicContact CG2-CD1 3.85Å; I41-V308 HydrophobicContact CD1-CG2 4.43Å; I41-V308 HydrophobicContact CG2-CG2 4.1Å; I41-I319 HydrophobicContact CD1-CG2 3.95Å; I41-L321 HydrophobicContact CB-CD2 4.41Å; I41-L321 HydrophobicContact CD1-CD2 3.86Å; I41-L321 HydrophobicContact CD1-CG 4.26Å; I41-L321 HydrophobicContact CG1-CD2 3.9Å; I41-E336 PolarHBondContact N-O 3.45Å; I41-E336 VanDerWaalsContact N-O 3.1Å; I41-I337 HydrophobicContact CB-CG1 4.27Å; I41-I337 CarbonylContact O-C 3.58Å; I41-I337 VanDerWaalsContact O-CA 3.32Å; I41-I337 WeakPolarHBondContact O-CA 3.22Å; I41-L338 PolarHBondContact O-N 3.39Å
42I98.6Very high95.8Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-105.4115.9-178.1-54.9174.6000107.9I52 V53 L56 I106 L107 L108 L109 L338I42-I52 HydrophobicContact CD1-CG2 3.98Å; I42-V53 HydrophobicContact CD1-CB 4.4Å; I42-V53 HydrophobicContact CD1-CG2 3.51Å; I42-L56 HydrophobicContact CD1-CD1 4.21Å; I42-I106 HydrophobicContact CD1-CG2 3.65Å; I42-I106 HydrophobicContact CG1-CG2 4.34Å; I42-L107 PolarHBondContact N-O 3.11Å; I42-L108 HydrophobicContact CB-CD1 3.79Å; I42-L108 HydrophobicContact CG2-CD1 3.57Å; I42-L109 PolarHBondContact O-N 2.93Å; I42-L338 CarbonylContact C-O 3.53Å; I42-L338 WeakPolarHBondContact CA-O 3.31Å; I42-L338 HydrophobicContact CD1-CD1 4.44Å; I42-L338 HydrophobicContact CG1-CB 4.24Å; I42-L338 HydrophobicContact CG1-CD1 4.06Å; I42-L338 HydrophobicContact CG1-CG 4.44Å
43A98.4Very high96Very high1 Ų118 Ų181%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-92.2120.6173.200000109.5V290 L338 L339 S340 V341A43-V290 HydrophobicContact CB-CB 4.3Å; A43-V290 HydrophobicContact CB-CG2 3.75Å; A43-L338 PolarHBondContact N-O 3.06Å; A43-L339 HydrophobicContact CB-CD2 3.77Å; A43-S340 CarbonylContact O-C 3.39Å; A43-S340 WeakPolarHBondContact O-CA 3.3Å; A43-S340 PolarHBondContact O-N 3.31Å; A43-V341 VanDerWaalsContact C-CG1 3.48Å; A43-V341 HydrophobicContact CB-CG1 3.83Å; A43-V341 WeakPolarHBondContact O-CG1 3.37Å
44G97.6Very high96Very high5 Ų519 Ų195%0.05210%0.1CC..  trans92.9111.3-179.400000112.8G46 G49 L109G44-G46 VanDerWaalsContact C-N 3.3Å; G44-G49 WeakPolarHBondContact O-CA 3.45Å; G44-L109 WeakPolarHBondContact CA-O 3.49Å; G44-L109 PolarHBondContact N-O 3.2Å
45G96Very high96.1Very high0 Ų016.2 Ų16.20%09%0.086CC..  trans-94.428.2173.300000113.3S50 E110 G167G45-S50 PolarHBondContact O-OG 2.98Å; G45-E110 WeakPolarHBondContact CA-OE2 3.17Å; G45-E110 PolarHBondContact N-OE2 3.18Å; G45-G167 VanDerWaalsContact O-CA 3.24Å; G45-G167 WeakPolarHBondContact O-CA 2.91Å; G45-G167 PolarHBondContact O-N 3.01Å
46G96Very high96.1Very high11 Ų119.8 Ų9.811%0.1135%0.052CC..SBendtrans-75.2-149.9179.500000114.2G44 S50G44-G46 VanDerWaalsContact C-N 3.3Å; G46-S50 WeakPolarHBondContact O-CB 3.29Å; G46-S50 PolarHBondContact O-N 3.43Å; G46-S50 PolarHBondContact O-OG 2.68Å
47T96.9Very high96.2Very high21 Ų219 Ų913%0.1295%0.047CC..Hα-helixtrans-56-56.1-175.5-56.10000112.8A170 S266 I664 M665T47-A170 HydrophobicContact CG2-CB 4.46Å; T47-S266 WeakPolarHBondContact CA-OG 3.49Å; T47-S266 VanDerWaalsContact O-CB 3.23Å; T47-S266 WeakPolarHBondContact O-CB 3.36Å; T47-S266 PolarHBondContact O-OG 2.94Å; T47-I664 HydrophobicContact CG2-CG2 4.17Å; T47-M665 HydrophobicContact CG2-CE 3.82Å; T47-M665 HydrophobicContact CG2-CG 3.48Å; T47-M665 VanDerWaalsContact CG2-CG 3.48Å
48A97.6Very high96.1Very high1 Ų16.4 Ų6.41%0.0084%0.036CC..Hα-helixtrans-78-41.9-179.300000112S50 I51 I52 G647 I664A48-S50 VanDerWaalsContact C-N 3.29Å; A48-S50 PolarHBondContact O-N 3.47Å; A48-I51 WeakPolarHBondContact O-CA 3.21Å; A48-I51 WeakPolarHBondContact O-CB 3.19Å; A48-I51 PolarHBondContact O-N 3.34Å; A48-I52 WeakPolarHBondContact O-CG1 3.26Å; A48-I52 PolarHBondContact O-N 3.49Å; A48-G647 WeakPolarHBondContact CB-O 3.37Å; A48-I664 HydrophobicContact CB-CG2 4Å
49G97.9Very high95.9Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-53.7-41.5178.300000114G44 I51 I52 V53 S340G44-G49 WeakPolarHBondContact O-CA 3.45Å; G49-I51 VanDerWaalsContact C-N 3.26Å; G49-I51 PolarHBondContact O-N 2.89Å; G49-I52 PolarHBondContact O-N 2.81Å; G49-V53 VanDerWaalsContact O-CG2 3.29Å; G49-V53 WeakPolarHBondContact O-CG2 3.38Å; G49-V53 PolarHBondContact O-N 2.96Å; G49-S340 WeakPolarHBondContact CA-OG 3.21Å; G49-S340 PolarHBondContact N-OG 3.07Å
50S97.1Very high95.6Very high0 Ų06.7 Ų6.70%04%0.04CC..Hα-helixtrans-58.6-36.2174.5-68.90000113.1G45 G46 A48 R54G45-S50 PolarHBondContact O-OG 2.98Å; G46-S50 WeakPolarHBondContact O-CB 3.29Å; G46-S50 PolarHBondContact O-N 3.43Å; G46-S50 PolarHBondContact O-OG 2.68Å; A48-S50 VanDerWaalsContact C-N 3.29Å; A48-S50 PolarHBondContact O-N 3.47Å; S50-R54 PolarHBondContact O-N 2.83Å
51I97.2Very high94.8Very high0 Ų08.4 Ų8.40%05%0.048CC..Hα-helixtrans-77.5-42.9177.6-71.5161.2000110.8A48 G49 V53 R54 K55 L201 M205 L210 C270 M665 N669A48-I51 WeakPolarHBondContact O-CA 3.21Å; A48-I51 WeakPolarHBondContact O-CB 3.19Å; A48-I51 PolarHBondContact O-N 3.34Å; G49-I51 VanDerWaalsContact C-N 3.26Å; G49-I51 PolarHBondContact O-N 2.89Å; I51-V53 VanDerWaalsContact C-N 3.35Å; I51-V53 PolarHBondContact O-N 3.39Å; I51-R54 PolarHBondContact O-N 3.35Å; I51-R54 VanDerWaalsContact O-N 3.16Å; I51-K55 WeakPolarHBondContact O-CB 3.35Å; I51-K55 PolarHBondContact O-N 2.65Å; I51-L201 HydrophobicContact CD1-CD1 4.3Å; I51-L201 HydrophobicContact CG2-CD1 4.43Å; I51-M205 HydrophobicContact CG2-CE 4.17Å; I51-M205 HydrophobicContact CG2-SD 4.48Å; I51-L210 HydrophobicContact CD1-CD1 3.9Å; I51-L210 HydrophobicContact CG1-CD1 4.27Å; I51-C270 VanDerWaalsContact CG1-SG 3.59Å; I51-M665 VanDerWaalsContact CD1-CA 3.48Å; I51-M665 HydrophobicContact CD1-CB 3.27Å; I51-M665 HydrophobicContact CD1-CG 3.53Å; I51-M665 WeakPolarHBondContact CD1-O 3.49Å; I51-M665 HydrophobicContact CD1-SD 4.43Å; I51-N669 HydrophobicContact CG2-CB 3.79Å
52I97.5Very high93.8Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-55.4-52.1178.8-67164.2000109.7I42 A48 G49 R54 K55 L56 L338 G668 L671I42-I52 HydrophobicContact CD1-CG2 3.98Å; A48-I52 WeakPolarHBondContact O-CG1 3.26Å; A48-I52 PolarHBondContact O-N 3.49Å; G49-I52 PolarHBondContact O-N 2.81Å; I52-R54 VanDerWaalsContact C-N 3.3Å; I52-R54 PolarHBondContact O-N 3.36Å; I52-K55 PolarHBondContact O-N 2.82Å; I52-L56 HydrophobicContact CG2-CD1 3.77Å; I52-L56 HydrophobicContact CG2-CG 4.28Å; I52-L56 WeakPolarHBondContact O-CB 3.08Å; I52-L56 VanDerWaalsContact O-CG 3.28Å; I52-L56 WeakPolarHBondContact O-CG 3.33Å; I52-L56 PolarHBondContact O-N 3.4Å; I52-L338 HydrophobicContact CG2-CD1 3.77Å; I52-G668 VanDerWaalsContact CG1-O 3.31Å; I52-G668 WeakPolarHBondContact CG1-O 3.22Å; I52-L671 HydrophobicContact CD1-CD2 4Å; I52-L671 HydrophobicContact CG1-CD2 4.01Å; I52-L671 HydrophobicContact CG2-CD2 3.9Å
53V96.3Very high92.6Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-54.7-49.6177.7173.70000110.5I42 G49 I51 W57 L108 L271 L274 L282I42-V53 HydrophobicContact CD1-CB 4.4Å; I42-V53 HydrophobicContact CD1-CG2 3.51Å; G49-V53 VanDerWaalsContact O-CG2 3.29Å; G49-V53 WeakPolarHBondContact O-CG2 3.38Å; G49-V53 PolarHBondContact O-N 2.96Å; I51-V53 VanDerWaalsContact C-N 3.35Å; I51-V53 PolarHBondContact O-N 3.39Å; V53-W57 VanDerWaalsContact O-CB 3.29Å; V53-W57 WeakPolarHBondContact O-CB 3.25Å; V53-W57 PolarHBondContact O-N 3.47Å; V53-L108 HydrophobicContact CG2-CB 4.38Å; V53-L108 HydrophobicContact CG2-CD1 3.86Å; V53-L108 HydrophobicContact CG2-CD2 4.03Å; V53-L108 HydrophobicContact CG2-CG 4.32Å; V53-L271 HydrophobicContact CB-CD1 4.1Å; V53-L271 HydrophobicContact CG1-CD1 3.72Å; V53-L271 HydrophobicContact CG2-CD1 4.48Å; V53-L274 HydrophobicContact CG1-CD1 4.21Å; V53-L282 HydrophobicContact CG1-CD1 3.83Å; V53-L282 HydrophobicContact CG1-CD2 4.26Å
54R95.3Very high90.4Very high22 Ų2222 Ų228%0.08311%0.11CC..Hα-helixtrans-63.6-47.6-176.4179.755.8-175.5-115.215.6112.4S50 I51 I52 W57 D58 M205 G207 C208 C270 L274S50-R54 PolarHBondContact O-N 2.83Å; I51-R54 PolarHBondContact O-N 3.35Å; I51-R54 VanDerWaalsContact O-N 3.16Å; I52-R54 VanDerWaalsContact C-N 3.3Å; I52-R54 PolarHBondContact O-N 3.36Å; R54-W57 PolarHBondContact O-N 2.75Å; R54-D58 IonicContact CZ-OD2 3.74Å; R54-D58 IonicContact NE-OD1 2.73Å; R54-D58 IonicContact NE-OD2 2.72Å; R54-D58 PolarHBondContact NE-OD2 3.49Å; R54-D58 IonicContact NH2-OD1 2.7Å; R54-D58 IonicContact NH2-OD2 3.07Å; R54-D58 PolarHBondContact NH2-OD2 2.75Å; R54-D58 PolarHBondContact O-N 2.94Å; R54-M205 HydrophobicContact CB-CE 4.28Å; R54-M205 HydrophobicContact CG-CE 3.95Å; R54-G207 PolarHBondContact NH1-O 2.75Å; R54-G207 PolarHBondContact NH2-O 3.28Å; R54-C208 HydrophobicContact CG-CB 4.4Å; R54-C270 HydrophobicContact CB-CB 3.73Å; R54-C270 WeakPolarHBondContact CD-O 3.41Å; R54-C270 HydrophobicContact CG-CB 3.92Å; R54-C270 PolarHBondContact NH1-O 2.88Å; R54-L274 HydrophobicContact CB-CD1 4.34Å
55K94.4Very high88.1Confident32 Ų3223.1 Ų23.114%0.13912%0.117CC..Hα-helixtrans-68.3-41.2-176.7-17270.1170.1-152.20111.3I51 I52 G59 E200 M205 N669 A672 I676I51-K55 WeakPolarHBondContact O-CB 3.35Å; I51-K55 PolarHBondContact O-N 2.65Å; I52-K55 PolarHBondContact O-N 2.82Å; K55-G59 WeakPolarHBondContact O-CA 3.46Å; K55-G59 PolarHBondContact O-N 3.39Å; K55-E200 IonicContact NZ-OE1 3.64Å; K55-E200 PolarHBondContact NZ-OE1 2.87Å; K55-M205 HydrophobicContact CB-CE 3.97Å; K55-M205 HydrophobicContact CD-CE 4.13Å; K55-N669 VanDerWaalsContact CD-OD1 3.27Å; K55-N669 WeakPolarHBondContact CD-OD1 3.25Å; K55-N669 WeakPolarHBondContact CE-OD1 3.47Å; K55-N669 PolarHBondContact NZ-OD1 3.43Å; K55-N669 VanDerWaalsContact NZ-OD1 3.15Å; K55-A672 HydrophobicContact CB-CB 3.57Å; K55-A672 HydrophobicContact CG-CB 3.57Å; K55-I676 HydrophobicContact CG-CD1 4.17Å
56L94.3Very high85.5Confident0 Ų032 Ų320%016%0.156CC..Hα-helixtrans-61.2-46.7173.6-69.7178000111F40 I42 I52 D58 G59 F60 I106 L338 A672 I675 I676F40-L56 HydrophobicContact CD2-CD1 4.39Å; F40-L56 HydrophobicContact CG-CD1 4.27Å; I42-L56 HydrophobicContact CD1-CD1 4.21Å; I52-L56 HydrophobicContact CG2-CD1 3.77Å; I52-L56 HydrophobicContact CG2-CG 4.28Å; I52-L56 WeakPolarHBondContact O-CB 3.08Å; I52-L56 VanDerWaalsContact O-CG 3.28Å; I52-L56 WeakPolarHBondContact O-CG 3.33Å; I52-L56 PolarHBondContact O-N 3.4Å; L56-D58 PolarHBondContact O-N 3.06Å; L56-G59 PolarHBondContact O-N 3.03Å; L56-F60 HydrophobicContact CD2-CE2 4.12Å; L56-F60 WeakPolarHBondContact O-CD2 3.32Å; L56-F60 PolarHBondContact O-N 3.3Å; L56-I106 HydrophobicContact CB-CD1 4.03Å; L56-L338 HydrophobicContact CD1-CD1 3.62Å; L56-A672 HydrophobicContact CD2-CB 3.98Å; L56-A672 HydrophobicContact CG-CB 4.01Å; L56-I675 HydrophobicContact CD2-CB 4Å; L56-I675 HydrophobicContact CD2-CD1 4.34Å; L56-I675 HydrophobicContact CD2-CG2 3.78Å; L56-I676 HydrophobicContact CD2-CG1 4.18Å
57W92Very high82.7Confident3 Ų335.7 Ų35.71%0.01118%0.18CC..Hα-helixtrans-57-52.1179.4-173.8-96.7000112.2V53 R54 Q61 R103 I106 L274 F279 D281 L282V53-W57 VanDerWaalsContact O-CB 3.29Å; V53-W57 WeakPolarHBondContact O-CB 3.25Å; V53-W57 PolarHBondContact O-N 3.47Å; R54-W57 PolarHBondContact O-N 2.75Å; W57-Q61 WeakPolarHBondContact O-CG 3.44Å; W57-Q61 PolarHBondContact O-N 3.39Å; W57-R103 HydrophobicContact CH2-CB 4.44Å; W57-R103 HydrophobicContact CH2-CG 4.38Å; W57-I106 HydrophobicContact CE3-CD1 4.26Å; W57-L274 HydrophobicContact CB-CD1 4.01Å; W57-L274 HydrophobicContact CG-CD1 4.07Å; W57-L274 HydrophobicContact CG-CD2 4.19Å; W57-F279 AromaticContact CE2-CD2 3.84Å; W57-F279 AromaticContact CE2-CE2 3.81Å; W57-F279 HydrophobicContact CH2-CB 3.63Å; W57-F279 HydrophobicContact CH2-CD1 4.1Å; W57-F279 HydrophobicContact CH2-CD2 4.05Å; W57-F279 AromaticContact CH2-CG 3.68Å; W57-F279 HydrophobicContact CH2-CG 3.68Å; W57-F279 HydrophobicContact CZ2-CB 3.84Å; W57-F279 AromaticContact CZ2-CD1 3.58Å; W57-F279 HydrophobicContact CZ2-CD1 3.58Å; W57-F279 AromaticContact CZ2-CD2 3.41Å; W57-F279 HydrophobicContact CZ2-CD2 3.41Å; W57-F279 VanDerWaalsContact CZ2-CD2 3.41Å; W57-F279 AromaticContact CZ2-CE1 3.84Å; W57-F279 HydrophobicContact CZ2-CE1 3.84Å; W57-F279 AromaticContact CZ2-CE2 3.67Å; W57-F279 HydrophobicContact CZ2-CE2 3.67Å; W57-F279 AromaticContact CZ2-CG 3.32Å; W57-F279 HydrophobicContact CZ2-CG 3.32Å; W57-F279 AromaticContact CZ2-CZ 3.85Å; W57-F279 HydrophobicContact CZ2-CZ 3.85Å; W57-F279 AromaticContact NE1-CE2 3.66Å; W57-F279 AromaticContact NE1-CZ 3.95Å; W57-D281 HydrophobicContact CH2-CB 3.98Å; W57-D281 HydrophobicContact CZ3-CB 3.97Å; W57-L282 HydrophobicContact CE3-CB 4.38Å; W57-L282 HydrophobicContact CH2-CB 4.48Å; W57-L282 HydrophobicContact CZ3-CB 3.99Å
58D89.9Confident79.8Confident32 Ų3238.9 Ų38.917%0.17120%0.203CC..Hα-helixtrans-71.4-38.7-179-70.3-11.3000111.8R54 L56 Q61 K62R54-D58 IonicContact CZ-OD2 3.74Å; R54-D58 IonicContact NE-OD1 2.73Å; R54-D58 IonicContact NE-OD2 2.72Å; R54-D58 PolarHBondContact NE-OD2 3.49Å; R54-D58 IonicContact NH2-OD1 2.7Å; R54-D58 IonicContact NH2-OD2 3.07Å; R54-D58 PolarHBondContact NH2-OD2 2.75Å; R54-D58 PolarHBondContact O-N 2.94Å; L56-D58 PolarHBondContact O-N 3.06Å; D58-Q61 PolarHBondContact O-N 3.39Å; D58-K62 WeakPolarHBondContact O-CB 3.21Å; D58-K62 VanDerWaalsContact O-CG 3.32Å; D58-K62 WeakPolarHBondContact O-CG 3.32Å; D58-K62 PolarHBondContact O-N 3.06Å
59G89.5Confident76.7Confident13 Ų1348.3 Ų48.313%0.13425%0.247CC..Hα-helixtrans-61.9-48.4-177.900000113.3K55 L56 Q61 K62 M63K55-G59 WeakPolarHBondContact O-CA 3.46Å; K55-G59 PolarHBondContact O-N 3.39Å; L56-G59 PolarHBondContact O-N 3.03Å; G59-Q61 VanDerWaalsContact C-N 3.33Å; G59-Q61 PolarHBondContact O-N 2.73Å; G59-K62 PolarHBondContact O-N 2.77Å; G59-M63 PolarHBondContact O-N 3.12Å; G59-M63 VanDerWaalsContact O-N 3.11Å
60F88.2Confident73.7Confident0 Ų056.7 Ų56.70%029%0.286CS..Hα-helixtrans-69.1-30.7177.9-83.7-77.5000113.1F40 L56 K62 M63 Y102 P104 W332 P333 I675 I676 N679F40-F60 HydrophobicContact CE2-CD2 4.17Å; F40-F60 AromaticContact CE2-CE2 3.5Å; F40-F60 HydrophobicContact CE2-CE2 3.5Å; F40-F60 AromaticContact CE2-CZ 3.94Å; F40-F60 HydrophobicContact CE2-CZ 3.94Å; F40-F60 AromaticContact CZ-CE2 3.58Å; F40-F60 HydrophobicContact CZ-CE2 3.58Å; F40-F60 AromaticContact CZ-CZ 3.7Å; F40-F60 HydrophobicContact CZ-CZ 3.7Å; L56-F60 HydrophobicContact CD2-CE2 4.12Å; L56-F60 WeakPolarHBondContact O-CD2 3.32Å; L56-F60 PolarHBondContact O-N 3.3Å; F60-K62 VanDerWaalsContact C-N 3.3Å; F60-M63 HydrophobicContact CD1-CE 4.09Å; F60-M63 HydrophobicContact CD1-SD 4.17Å; F60-M63 HydrophobicContact CE1-CE 3.88Å; F60-M63 HydrophobicContact CE1-SD 4.29Å; F60-M63 HydrophobicContact CZ-CE 4.39Å; F60-Y102 CarbonylContact C-O 3.59Å; F60-Y102 HydrophobicContact CB-CD1 4.38Å; F60-Y102 HydrophobicContact CD1-CD1 4.1Å; F60-P104 HydrophobicContact CB-CG 3.89Å; F60-P104 HydrophobicContact CD2-CB 4.36Å; F60-P104 HydrophobicContact CD2-CG 3.92Å; F60-P104 HydrophobicContact CG-CB 4.46Å; F60-P104 HydrophobicContact CG-CG 4.04Å; F60-W332 HydrophobicContact CD1-CH2 4.13Å; F60-W332 AromaticContact CD1-CZ2 3.88Å; F60-W332 HydrophobicContact CD1-CZ2 3.88Å; F60-W332 HydrophobicContact CE1-CH2 4.5Å; F60-W332 AromaticContact CE1-CZ2 3.87Å; F60-W332 HydrophobicContact CE1-CZ2 3.87Å; F60-P333 HydrophobicContact CE1-CB 3.6Å; F60-P333 HydrophobicContact CE1-CG 4.3Å; F60-P333 HydrophobicContact CZ-CB 3.67Å; F60-P333 HydrophobicContact CZ-CG 4.41Å; F60-I675 HydrophobicContact CE2-CG2 4.45Å; F60-I676 HydrophobicContact CD2-CG1 4.5Å; F60-I676 HydrophobicContact CE2-CG1 4.34Å; F60-N679 HydrophobicContact CE1-CB 3.89Å; F60-N679 HydrophobicContact CZ-CB 3.8Å
61Q81.4Confident70.6Confident36 Ų3660.1 Ų60.117%0.16831%0.314CS..Hα-helixtrans-70-29.1172.4-73.7-15919.700113W57 D58 G59 R103W57-Q61 WeakPolarHBondContact O-CG 3.44Å; W57-Q61 PolarHBondContact O-N 3.39Å; D58-Q61 PolarHBondContact O-N 3.39Å; G59-Q61 VanDerWaalsContact C-N 3.33Å; G59-Q61 PolarHBondContact O-N 2.73Å; Q61-R103 HydrophobicContact CG-CG 4.36Å
62K78.8Confident67.6Low102 Ų10269.8 Ų69.844%0.44336%0.356SS..Hα-helixtrans-86.4-11.7179.6-76.7-177.6-177.2-174.10114.6D58 G59 F60 Q64 E206D58-K62 WeakPolarHBondContact O-CB 3.21Å; D58-K62 VanDerWaalsContact O-CG 3.32Å; D58-K62 WeakPolarHBondContact O-CG 3.32Å; D58-K62 PolarHBondContact O-N 3.06Å; G59-K62 PolarHBondContact O-N 2.77Å; F60-K62 VanDerWaalsContact C-N 3.3Å; K62-Q64 PolarHBondContact O-N 2.93Å; K62-E206 WeakPolarHBondContact CE-OE2 3.37Å; K62-E206 IonicContact NZ-OE1 3.01Å; K62-E206 PolarHBondContact NZ-OE1 2.95Å; K62-E206 IonicContact NZ-OE2 2.68Å; K62-E206 PolarHBondContact NZ-OE2 3.02Å
63M71.7Confident64.6Low23 Ų2375.4 Ų75.411%0.11340%0.396CS..  trans-61.487.4172.2-77-166.6-167.700109.7G59 F60 W332 I676 N679 W680G59-M63 PolarHBondContact O-N 3.12Å; G59-M63 VanDerWaalsContact O-N 3.11Å; F60-M63 HydrophobicContact CD1-CE 4.09Å; F60-M63 HydrophobicContact CD1-SD 4.17Å; F60-M63 HydrophobicContact CE1-CE 3.88Å; F60-M63 HydrophobicContact CE1-SD 4.29Å; F60-M63 HydrophobicContact CZ-CE 4.39Å; M63-W332 HydrophobicContact SD-CZ2 3.84Å; M63-I676 HydrophobicContact CE-CB 4.11Å; M63-I676 HydrophobicContact CE-CG2 3.48Å; M63-I676 VanDerWaalsContact CE-CG2 3.48Å; M63-I676 WeakPolarHBondContact CE-O 3.48Å; M63-N679 HydrophobicContact CE-CB 4.19Å; M63-W680 HydrophobicContact CE-CB 3.99Å; M63-W680 HydrophobicContact SD-CB 4.25Å
64Q53.4Low61.7Low160 Ų16078.7 Ų78.775%0.74842%0.417SS*.  trans-87.4117.4167.2-69.6-175.2-10.700106.3K62 K66K62-Q64 PolarHBondContact O-N 2.93Å; Q64-K66 PolarHBondContact O-N 3.48Å
65C49.6Very low58.9Low30 Ų3082 Ų8220%0.20344%0.444CS..  trans-60.5114.7174-64.50000108.7S67 C99C65-S67 PolarHBondContact O-N 2.89Å; C65-C99 HydrophobicContact CB-CB 3.71Å; C65-C99 WeakPolarHBondContact CB-SG 3.35Å; C65-C99 WeakPolarHBondContact SG-CB 3.32Å; C65-C99 CovalentContact SG-SG 2.02Å; C65-C99 PolarHBondContact SG-SG 2.62Å
66K40.8Very low56Low187 Ų18786.4 Ų86.481%0.81348%0.479SS*.PPolyproline II helixtrans-73.3120.1166.9-80.8-174.6173.9-178.50106.9Q64 S68Q64-K66 PolarHBondContact O-N 3.48Å; K66-S68 PolarHBondContact O-N 3.29Å
67S36.5Very low53.3Low88 Ų8893.9 Ų93.962%0.61551%0.514SS*.PPolyproline II helixtrans-63.7127.2168.954.10000109.4C65C65-S67 PolarHBondContact O-N 2.89Å
68S35.6Very low50.8Low87 Ų8796.3 Ų96.361%0.60854%0.54SS*.PPolyproline II helixtrans-79.5137.3161.664.10000108.9K66 Q70K66-S68 PolarHBondContact O-N 3.29Å; S68-Q70 PolarHBondContact O-N 3.43Å
69E33.9Very low48.3Very low200 Ų20099.8 Ų99.894%0.93556%0.562SS**SBendtrans-69.732.3172.2-75178.3138.500112.9
70Q33.7Very low45.7Very low176 Ų176104.6 Ų104.682%0.82259%0.589SS**  trans-14055.4-174.2-70.1-172.2-10.300113.2S68S68-Q70 PolarHBondContact O-N 3.43Å
71A33.4Very low43.4Very low71 Ų71106.5 Ų106.559%0.58760%0.601SS**  trans-108.893.8160.800000109.3
72K32.7Very low41.4Very low204 Ų204107.5 Ų107.589%0.88761%0.607SS**  trans-79.8119.1161.7-79-177.4177.91770107
73S35.9Very low39.4Very low118 Ų118111.9 Ų111.983%0.82563%0.628SS**  trans65.699.6-178.574.90000116.4
74C34.6Very low37.6Very low68 Ų68114.2 Ų114.246%0.45964%0.638SS.*  trans-91.2113.2157.1-64.60000108.6C95C74-C95 HydrophobicContact CB-CB 4.45Å; C74-C95 WeakPolarHBondContact CB-SG 3.41Å; C74-C95 WeakPolarHBondContact SG-CB 3.23Å; C74-C95 CovalentContact SG-SG 2.01Å; C74-C95 PolarHBondContact SG-SG 2.86Å
75S37.1Very low36.5Very low91 Ų91114.4 Ų114.464%0.63664%0.643SS**  trans-74.4152.2163.652.70000109.9E77S75-E77 PolarHBondContact O-N 3.01Å
76S33.9Very low36Very low125 Ų125116.1 Ų116.187%0.87465%0.648SS**SBendtrans-76.528.3-171.852.20000115.2
77E37Very low35.7Very low158 Ų158110.4 Ų110.474%0.73863%0.631SS**  trans-103.7112.2176.4-71.4-174.1169.800109.6S75 V79S75-E77 PolarHBondContact O-N 3.01Å; E77-V79 PolarHBondContact O-N 3.37Å; E77-V79 VanDerWaalsContact O-N 3.15Å
78G38.4Very low35.7Very low54 Ų54110.8 Ų110.856%0.55763%0.625SS**  trans-61.9115.117500000110.3T80G78-T80 PolarHBondContact O-N 3.12Å
79V37.5Very low35.7Very low105 Ų105110.5 Ų110.564%0.63662%0.623SS**  trans-76.7107173.3-177.50000108.4E77 V81 F86E77-V79 PolarHBondContact O-N 3.37Å; E77-V79 VanDerWaalsContact O-N 3.15Å; V79-V81 HydrophobicContact CG1-CG2 4.05Å; V79-F86 WeakPolarHBondContact O-CD2 3.4Å
80T35.5Very low35.7Very low114 Ų114104.6 Ų104.670%0.69962%0.616SS**  trans-80.6112.2169.17.50000110G78G78-T80 PolarHBondContact O-N 3.12Å
81V40.6Very low35.9Very low40 Ų40103.2 Ų103.224%0.24261%0.614CS.*BIsolated β-bridgetrans-109.5113.4162-174.60000108.3V79 H83 F86 M686V79-V81 HydrophobicContact CG1-CG2 4.05Å; V81-H83 PolarHBondContact O-N 3.23Å; V81-F86 HydrophobicContact CB-CE2 4.05Å; V81-F86 HydrophobicContact CB-CZ 4.48Å; V81-F86 HydrophobicContact CG2-CE2 4.44Å; V81-M686 HydrophobicContact CG1-CE 3.43Å; V81-M686 VanDerWaalsContact CG1-CE 3.43Å
82N39.1Very low36.2Very low56 Ų56104.8 Ų104.830%0.29963%0.627SS.*THydrogen-bonded Turntrans49.358.8171.6-65-34.3000116.7K84 Q330N82-K84 VanDerWaalsContact C-N 3.31Å; N82-K84 PolarHBondContact O-N 2.95Å; N82-Q330 PolarHBondContact ND2-O 2.84Å
83H36.2Very low36.4Very low194 Ų194102.7 Ų102.790%0.89863%0.625SS**THydrogen-bonded Turntrans62.222.2165.7-61.7-69000117.5V81V81-H83 PolarHBondContact O-N 3.23Å
84K34.3Very low36.5Very low72 Ų72103.2 Ų103.231%0.31362%0.618SS.*BIsolated β-bridgetrans-113.8127.5161.5-78.1-173.3167.1-1580110.2N82 F86 S100 K101N82-K84 VanDerWaalsContact C-N 3.31Å; N82-K84 PolarHBondContact O-N 2.95Å; K84-F86 WeakPolarHBondContact O-CD2 3.28Å; K84-F86 PolarHBondContact O-N 3.11Å; K84-S100 PolarHBondContact NZ-OG 3.39Å; K84-S100 VanDerWaalsContact NZ-OG 3.1Å; K84-K101 PolarHBondContact NZ-O 2.72Å
85L31Very low36.4Very low165 Ų165102.4 Ų102.486%0.86461%0.612SS**  trans-63.9116174.6-99.5138.9000109.7
86F38.2Very low36.2Very low66 Ų66104.8 Ų104.829%0.28961%0.611SS.*  trans-84.2104.3161.6-65.5-90.1000107V79 V81 K84 I88 I97V79-F86 WeakPolarHBondContact O-CD2 3.4Å; V81-F86 HydrophobicContact CB-CE2 4.05Å; V81-F86 HydrophobicContact CB-CZ 4.48Å; V81-F86 HydrophobicContact CG2-CE2 4.44Å; K84-F86 WeakPolarHBondContact O-CD2 3.28Å; K84-F86 PolarHBondContact O-N 3.11Å; F86-I88 PolarHBondContact O-N 2.77Å; F86-I97 HydrophobicContact CD1-CG2 3.96Å; F86-I97 HydrophobicContact CE1-CG2 4.17Å
87S34Very low36.6Very low66 Ų66102.8 Ų102.846%0.46259%0.59SS.*  trans-82.1113.4174.9620000109.6S89 T98S87-S89 PolarHBondContact O-N 2.91Å; S87-T98 PolarHBondContact OG-OG1 2.79Å
88I37.5Very low36.7Very low96 Ų9698.5 Ų98.549%0.49258%0.575SS.*  trans-81.997.9164.6-57.3171.2000105.9F86F86-I88 PolarHBondContact O-N 2.77Å
89S36.4Very low37.3Very low82 Ų8298 Ų9857%0.57356%0.562SS**  trans-79.2121.1172.465.10000109.1S87 D91S87-S89 PolarHBondContact O-N 2.91Å; S89-D91 PolarHBondContact O-N 3.29Å
90G33.4Very low38Very low75 Ų7596.4 Ų96.477%0.77356%0.555SS**  trans-63.2120.2-175.300000113.8
91D37.2Very low39.5Very low147 Ų14798.1 Ų98.179%0.78655%0.553SS**  trans-153.6135.6133.8-105.7-28.2000106.4S89 N93 I94S89-D91 PolarHBondContact O-N 3.29Å; D91-N93 PolarHBondContact O-N 3.28Å; D91-I94 PolarHBondContact O-N 2.82Å
92A39Very low41.3Very low104 Ų10497.7 Ų97.786%0.8655%0.547SS*.THydrogen-bonded Turntrans-66.116-161.700000116.8
93N38.8Very low43.5Very low160 Ų160100 Ų10086%0.85655%0.552SS**THydrogen-bonded Turntrans-136.9-0.4-178.6-80.3-38.7000116.2D91D91-N93 PolarHBondContact O-N 3.28Å
94I36Very low46.1Very low129 Ų12990.8 Ų90.866%0.66251%0.509SS*.  trans-145.1102.9177.5-54.2177.4000110.6D91 K96D91-I94 PolarHBondContact O-N 2.82Å; I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.15Å
95C32.5Very low48.9Very low51 Ų5190.9 Ų90.935%0.34551%0.51SS..  trans-75.9100.3167.7-72.10000110.1C74C74-C95 HydrophobicContact CB-CB 4.45Å; C74-C95 WeakPolarHBondContact CB-SG 3.41Å; C74-C95 WeakPolarHBondContact SG-CB 3.23Å; C74-C95 CovalentContact SG-SG 2.01Å; C74-C95 PolarHBondContact SG-SG 2.86Å
96K34.3Very low52Low142 Ų14283 Ų8362%0.61747%0.469SS*.  trans-89.6104.3172.3-119.5178.5-178.4174.80109.2I94 T98I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.15Å; K96-T98 PolarHBondContact O-N 2.87Å; K96-T98 VanDerWaalsContact O-N 3.11Å
97I41.7Very low54.9Low83 Ų8379.9 Ų79.943%0.42646%0.455SS..  trans-73.3101167.9-58.2178.8000107.5F86 C99 M687F86-I97 HydrophobicContact CD1-CG2 3.96Å; F86-I97 HydrophobicContact CE1-CG2 4.17Å; I97-C99 PolarHBondContact O-N 3.5Å; I97-M687 HydrophobicContact CB-CE 4.31Å; I97-M687 HydrophobicContact CD1-CE 3.36Å; I97-M687 HydrophobicContact CG1-CE 4.4Å; I97-M687 HydrophobicContact CG2-CE 3.89Å
98T39.4Very low57.9Low68 Ų6876.8 Ų76.842%0.41743%0.433SS..  trans-81.193.7175.3440000110.3S87 K96 S100S87-T98 PolarHBondContact OG-OG1 2.79Å; K96-T98 PolarHBondContact O-N 2.87Å; K96-T98 VanDerWaalsContact O-N 3.11Å; T98-S100 PolarHBondContact O-N 3.18Å
99C51.2Low60.8Low43 Ų4372.3 Ų72.329%0.29141%0.41SS..  trans-75.4106.7169.4-69.80000110C65 I97C65-C99 HydrophobicContact CB-CB 3.71Å; C65-C99 WeakPolarHBondContact CB-SG 3.35Å; C65-C99 WeakPolarHBondContact SG-CB 3.32Å; C65-C99 CovalentContact SG-SG 2.02Å; C65-C99 PolarHBondContact SG-SG 2.62Å; I97-C99 PolarHBondContact O-N 3.5Å
100S52.7Low63.7Low71 Ų7168.8 Ų68.850%0.49739%0.385SS..  trans-64.4140.9169.463.10000110.2K84 T98 Y102K84-S100 PolarHBondContact NZ-OG 3.39Å; K84-S100 VanDerWaalsContact NZ-OG 3.1Å; T98-S100 PolarHBondContact O-N 3.18Å; S100-Y102 PolarHBondContact O-N 3.03Å
101K65.5Low66.7Low151 Ų15166.8 Ų66.866%0.65736%0.359SS*.  trans-43.2113.2173.7-73.2-174.4176.5-177.70109.6K84K84-K101 PolarHBondContact NZ-O 2.72Å
102Y78.3Confident69.4Low31 Ų3159.8 Ų59.812%0.12232%0.321CS..  trans-85.9139176.2-179.1-101.5000109.8D39 F60 S100 P104 W332 P333D39-Y102 PolarHBondContact OD1-OH 2.93Å; D39-Y102 PolarHBondContact OD2-OH 3.02Å; F60-Y102 CarbonylContact C-O 3.59Å; F60-Y102 HydrophobicContact CB-CD1 4.38Å; F60-Y102 HydrophobicContact CD1-CD1 4.1Å; S100-Y102 PolarHBondContact O-N 3.03Å; Y102-P104 HydrophobicContact CD1-CB 4.49Å; Y102-P104 VanDerWaalsContact CE1-CA 3.42Å; Y102-P104 HydrophobicContact CE1-CB 3.85Å; Y102-W332 HydrophobicContact CD1-CE3 4.35Å; Y102-W332 AromaticContact CD1-CH2 3.6Å; Y102-W332 HydrophobicContact CD1-CH2 3.6Å; Y102-W332 AromaticContact CD1-CZ3 3.46Å; Y102-W332 HydrophobicContact CD1-CZ3 3.46Å; Y102-W332 VanDerWaalsContact CD1-CZ3 3.46Å; Y102-W332 HydrophobicContact CD2-CE3 4.32Å; Y102-W332 HydrophobicContact CD2-CH2 4.36Å; Y102-W332 AromaticContact CD2-CZ3 3.54Å; Y102-W332 HydrophobicContact CD2-CZ3 3.54Å; Y102-W332 HydrophobicContact CE1-CE3 4.46Å; Y102-W332 HydrophobicContact CE1-CH2 4.38Å; Y102-W332 AromaticContact CE1-CZ3 3.98Å; Y102-W332 HydrophobicContact CE1-CZ3 3.98Å; Y102-W332 HydrophobicContact CE2-CE3 4.45Å; Y102-W332 HydrophobicContact CE2-CZ3 4.07Å; Y102-W332 HydrophobicContact CG-CE3 4.29Å; Y102-W332 AromaticContact CG-CH2 3.59Å; Y102-W332 HydrophobicContact CG-CH2 3.59Å; Y102-W332 AromaticContact CG-CZ3 3.22Å; Y102-W332 HydrophobicContact CG-CZ3 3.22Å; Y102-P333 HydrophobicContact CE1-CG 3.86Å; Y102-P333 VanDerWaalsContact CZ-CD 3.42Å; Y102-P333 WeakPolarHBondContact OH-CD 3.4Å
103R85.5Confident71.9Confident105 Ų10556.1 Ų56.140%0.39629%0.289SS..  trans-115.3110.6173.2-72.2-172.9178.1169.52.1107.5W57 Q61 D281W57-R103 HydrophobicContact CH2-CB 4.44Å; W57-R103 HydrophobicContact CH2-CG 4.38Å; Q61-R103 HydrophobicContact CG-CG 4.36Å; R103-D281 HydrophobicContact CB-CB 4.28Å; R103-D281 WeakPolarHBondContact CD-OD2 3.47Å
104P91.1Very high74.3Confident0 Ų054.9 Ų54.90%028%0.276CS..  trans-68.3143.7175.129.3-33.6000109.5D39 F40 F60 Y102 I106D39-P104 HydrophobicContact CB-CB 4.49Å; F40-P104 HydrophobicContact CD2-CB 3.95Å; F40-P104 HydrophobicContact CE2-CB 3.8Å; F60-P104 HydrophobicContact CB-CG 3.89Å; F60-P104 HydrophobicContact CD2-CB 4.36Å; F60-P104 HydrophobicContact CD2-CG 3.92Å; F60-P104 HydrophobicContact CG-CB 4.46Å; F60-P104 HydrophobicContact CG-CG 4.04Å; Y102-P104 HydrophobicContact CD1-CB 4.49Å; Y102-P104 VanDerWaalsContact CE1-CA 3.42Å; Y102-P104 HydrophobicContact CE1-CB 3.85Å; P104-I106 HydrophobicContact CB-CG1 4.21Å; P104-I106 HydrophobicContact CG-CD1 3.97Å; P104-I106 HydrophobicContact CG-CG1 4.06Å; P104-I106 PolarHBondContact O-N 2.89Å
105K93.7Very high76.9Confident74 Ų7449.3 Ų49.332%0.32225%0.248SC..  trans-82.3101.6172.3-155.2178.8-135.61770109.2T36 Q37 Y38 D39 F40 D281T36-K105 HydrophobicContact CG2-CD 3.73Å; Q37-K105 WeakPolarHBondContact O-CD 3.12Å; Y38-K105 HydrophobicContact CD1-CD 4.23Å; Y38-K105 HydrophobicContact CD1-CG 3.95Å; Y38-K105 HydrophobicContact CE1-CD 4.45Å; Y38-K105 HydrophobicContact CE1-CG 4.31Å; D39-K105 PolarHBondContact N-O 3.33Å; D39-K105 WeakPolarHBondContact OD2-CB 3.44Å; D39-K105 PolarHBondContact OD2-N 2.82Å; F40-K105 PolarHBondContact N-O 3.11Å; K105-D281 CarbonylContact C-O 3.26Å; K105-D281 WeakPolarHBondContact CA-O 3.43Å
106I96.2Very high79.6Confident0 Ų048.2 Ų48.20%024%0.24CC..EExtended strand (participates in β ladder)trans-103.3129-176.1-59.5180000109.3F40 I42 L56 W57 P104 D281 L282 T283F40-I106 HydrophobicContact CB-CG1 4.42Å; F40-I106 HydrophobicContact CD2-CG1 4.16Å; I42-I106 HydrophobicContact CD1-CG2 3.65Å; I42-I106 HydrophobicContact CG1-CG2 4.34Å; L56-I106 HydrophobicContact CB-CD1 4.03Å; W57-I106 HydrophobicContact CE3-CD1 4.26Å; P104-I106 HydrophobicContact CB-CG1 4.21Å; P104-I106 HydrophobicContact CG-CD1 3.97Å; P104-I106 HydrophobicContact CG-CG1 4.06Å; P104-I106 PolarHBondContact O-N 2.89Å; I106-D281 PolarHBondContact N-O 3.04Å; I106-L282 HydrophobicContact CB-CD1 3.91Å; I106-L282 HydrophobicContact CG2-CD1 3.83Å; I106-T283 PolarHBondContact O-N 3.15Å
107L97.9Very high82.1Confident0 Ų050.1 Ų50.10%024%0.244CC..EExtended strand (participates in β ladder)trans-108122.5165.917862.7000109.6L33 Y38 F40 I41 I42 L109 T283 V285 I319L33-L107 HydrophobicContact CD2-CD1 3.74Å; L33-L107 HydrophobicContact CD2-CD2 4.2Å; Y38-L107 HydrophobicContact CD1-CB 3.54Å; Y38-L107 HydrophobicContact CD2-CB 4.23Å; Y38-L107 HydrophobicContact CD2-CD2 3.96Å; Y38-L107 HydrophobicContact CE1-CB 3.68Å; Y38-L107 HydrophobicContact CE1-CD1 4.34Å; Y38-L107 HydrophobicContact CE1-CD2 4.44Å; Y38-L107 HydrophobicContact CE1-CG 4.38Å; Y38-L107 HydrophobicContact CE2-CB 4.36Å; Y38-L107 HydrophobicContact CE2-CD2 3.76Å; Y38-L107 HydrophobicContact CG-CB 3.82Å; Y38-L107 HydrophobicContact CG-CD2 4.38Å; F40-L107 PolarHBondContact O-N 2.83Å; I41-L107 HydrophobicContact CG1-CD2 4.37Å; I41-L107 HydrophobicContact CG2-CD2 4.37Å; I42-L107 PolarHBondContact N-O 3.11Å; L107-L109 HydrophobicContact CD1-CD2 3.89Å; L107-L109 HydrophobicContact CD2-CD1 4.3Å; L107-L109 HydrophobicContact CD2-CD2 3.85Å; L107-L109 HydrophobicContact CD2-CG 4.12Å; L107-L109 HydrophobicContact CG-CD2 3.79Å; L107-L109 HydrophobicContact CG-CG 3.99Å; L107-T283 CarbonylContact C-O 3.58Å; L107-T283 WeakPolarHBondContact CA-O 3.34Å; L107-T283 HydrophobicContact CD1-CG2 3.68Å; L107-V285 HydrophobicContact CD1-CG2 4.17Å; L107-I319 HydrophobicContact CD2-CD1 3.86Å; L107-I319 HydrophobicContact CD2-CG2 3.67Å
108L98.1Very high84.3Confident0 Ų049.7 Ų49.70%024%0.242CC..EExtended strand (participates in β ladder)trans-105.6123.4169.4-178.365.6000109.6I42 V53 L166 L271 T283 I284 V285I42-L108 HydrophobicContact CB-CD1 3.79Å; I42-L108 HydrophobicContact CG2-CD1 3.57Å; V53-L108 HydrophobicContact CG2-CB 4.38Å; V53-L108 HydrophobicContact CG2-CD1 3.86Å; V53-L108 HydrophobicContact CG2-CD2 4.03Å; V53-L108 HydrophobicContact CG2-CG 4.32Å; L108-L166 HydrophobicContact CD2-CD1 3.95Å; L108-L271 HydrophobicContact CD2-CD1 4.25Å; L108-L271 HydrophobicContact CD2-CD2 3.78Å; L108-T283 PolarHBondContact N-O 3.36Å; L108-I284 HydrophobicContact CB-CG1 4.1Å; L108-I284 HydrophobicContact CB-CG2 4.4Å; L108-I284 HydrophobicContact CD2-CD1 4.44Å; L108-I284 HydrophobicContact CD2-CG1 4.25Å; L108-I284 HydrophobicContact CD2-CG2 4.07Å; L108-I284 HydrophobicContact CG-CG2 4.46Å; L108-I284 WeakPolarHBondContact O-CA 3.29Å; L108-V285 PolarHBondContact O-N 2.64Å
109L98.2Very high86.7Confident2 Ų246.7 Ų46.71%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-110.2120.2178.5-59.8177.8000109.1I41 I42 G44 L107 V285 I288 V290 V308 V310 I319I41-L109 HydrophobicContact CG2-CD1 3.85Å; I42-L109 PolarHBondContact O-N 2.93Å; G44-L109 WeakPolarHBondContact CA-O 3.49Å; G44-L109 PolarHBondContact N-O 3.2Å; L107-L109 HydrophobicContact CD1-CD2 3.89Å; L107-L109 HydrophobicContact CD2-CD1 4.3Å; L107-L109 HydrophobicContact CD2-CD2 3.85Å; L107-L109 HydrophobicContact CD2-CG 4.12Å; L107-L109 HydrophobicContact CG-CD2 3.79Å; L107-L109 HydrophobicContact CG-CG 3.99Å; L109-V285 HydrophobicContact CD2-CB 4.26Å; L109-I288 HydrophobicContact CB-CG2 4.01Å; L109-I288 HydrophobicContact CD2-CD1 3.85Å; L109-I288 HydrophobicContact CD2-CG1 4.27Å; L109-I288 HydrophobicContact CD2-CG2 3.77Å; L109-V290 HydrophobicContact CB-CG2 4.21Å; L109-V290 HydrophobicContact CD1-CG2 3.64Å; L109-V308 HydrophobicContact CD1-CG2 4.22Å; L109-V310 HydrophobicContact CD1-CG1 3.88Å; L109-I319 HydrophobicContact CD1-CD1 4.31Å; L109-I319 HydrophobicContact CD2-CD1 4.25Å
110E97.3Very high88.6Confident9 Ų945.9 Ų45.94%0.04222%0.215CC..  trans-121.8130176.1175.555.3-119.600109.7G45 G112 L166 V285 T286 E287 I288G45-E110 WeakPolarHBondContact CA-OE2 3.17Å; G45-E110 PolarHBondContact N-OE2 3.18Å; E110-G112 VanDerWaalsContact C-N 3.34Å; E110-G112 PolarHBondContact OE1-N 3.48Å; E110-L166 HydrophobicContact CB-CD1 3.93Å; E110-L166 HydrophobicContact CG-CB 4.23Å; E110-L166 HydrophobicContact CG-CD1 4.09Å; E110-V285 PolarHBondContact N-O 3.43Å; E110-T286 HydrophobicContact CB-CG2 4.38Å; E110-T286 CarbonylContact O-C 3.54Å; E110-T286 VanDerWaalsContact O-C 3.24Å; E110-T286 VanDerWaalsContact O-CA 3.26Å; E110-T286 WeakPolarHBondContact O-CA 3.07Å; E110-E287 PolarHBondContact O-N 2.98Å; E110-I288 CarbonylContact C-O 3.56Å; E110-I288 VanDerWaalsContact C-O 3.31Å; E110-I288 PolarHBondContact O-N 2.84Å
111S95.7Very high90.3Very high33 Ų3346.1 Ų46.123%0.23121%0.207CC..SBendtrans-75.8-28.9179.566.80000111.7H164 E287 I288S111-H164 WeakPolarHBondContact CB-NE2 3.48Å; S111-H164 PolarHBondContact O-CE1 3.48Å; S111-H164 PolarHBondContact O-NE2 2.88Å; S111-H164 PolarHBondContact OG-CD2 3.48Å; S111-H164 VanDerWaalsContact OG-CD2 3.25Å; S111-H164 PolarHBondContact OG-NE2 3.1Å; S111-E287 WeakPolarHBondContact O-CA 3.3Å; S111-I288 WeakPolarHBondContact CA-O 3.33Å; S111-I288 PolarHBondContact N-O 3.44Å
112G93.5Very high91.4Very high0 Ų039.2 Ų39.20%018%0.177CC..SBendtrans-72.8166173.200000113.9E110 H164 T286 E287E110-G112 VanDerWaalsContact C-N 3.34Å; E110-G112 PolarHBondContact OE1-N 3.48Å; G112-H164 VanDerWaalsContact CA-C 3.49Å; G112-H164 VanDerWaalsContact CA-O 3.26Å; G112-H164 WeakPolarHBondContact CA-O 3.31Å; G112-H164 PolarHBondContact N-NE2 3.17Å; G112-T286 VanDerWaalsContact O-CB 3.28Å; G112-T286 WeakPolarHBondContact O-CB 3.21Å; G112-E287 PolarHBondContact O-N 2.74Å
113S91.4Very high92Very high27 Ų2737.7 Ų37.719%0.18917%0.172CC..BIsolated β-bridgetrans-72.5170.1175.166.80000111.8V165 L166S113-V165 CarbonylContact O-C 3.4Å; S113-V165 WeakPolarHBondContact O-CA 3.49Å; S113-V165 VanDerWaalsContact O-CG2 3.29Å; S113-V165 WeakPolarHBondContact O-CG2 3.43Å; S113-L166 PolarHBondContact O-N 3.18Å
114K91Very high92.3Very high133 Ų13333.5 Ų33.558%0.57816%0.157SC*.PPolyproline II helixtrans-74.9134.7164.8-175.7-180176.2-1740108.7S116 T286K114-S116 PolarHBondContact O-N 3.3Å; K114-T286 HydrophobicContact CB-CG2 4.24Å
115I89.6Confident92.2Very high13 Ų1333.8 Ų33.87%0.06716%0.158CC..PPolyproline II helixtrans-64126.2176.4-166.2162.9000111.1T119 K120 V165 L171 Y267I115-T119 HydrophobicContact CD1-CG2 4.17Å; I115-T119 HydrophobicContact CG1-CG2 4.1Å; I115-K120 HydrophobicContact CD1-CB 4.02Å; I115-K120 HydrophobicContact CD1-CD 4.05Å; I115-K120 HydrophobicContact CG1-CB 4.01Å; I115-K120 HydrophobicContact CG2-CB 4.23Å; I115-K120 HydrophobicContact CG2-CD 4.18Å; I115-V165 HydrophobicContact CB-CG2 3.66Å; I115-V165 HydrophobicContact CG1-CG2 4.33Å; I115-L171 HydrophobicContact CD1-CD1 3.81Å; I115-Y267 HydrophobicContact CG2-CE1 4.01Å
116S89.1Confident92Very high27 Ų2730.2 Ų30.219%0.18914%0.143CC..PPolyproline II helixtrans-68.2157.6175.471.10000111.1D16 K114 L118 T119 K120D16-S116 VanDerWaalsContact OD1-CB 3.23Å; D16-S116 WeakPolarHBondContact OD1-CB 3.27Å; D16-S116 PolarHBondContact OD1-OG 2.85Å; K114-S116 PolarHBondContact O-N 3.3Å; S116-L118 VanDerWaalsContact C-N 3.3Å; S116-L118 PolarHBondContact O-N 3.37Å; S116-T119 PolarHBondContact O-N 2.99Å; S116-T119 WeakPolarHBondContact OG-CB 3.31Å; S116-T119 PolarHBondContact OG-N 2.85Å; S116-T119 PolarHBondContact OG-OG1 3.23Å; S116-T119 VanDerWaalsContact OG-OG1 3.05Å; S116-K120 VanDerWaalsContact O-CB 3.26Å; S116-K120 WeakPolarHBondContact O-CB 3.37Å; S116-K120 PolarHBondContact O-N 2.85Å
117W87.7Confident91.4Very high183 Ų18330.5 Ų30.569%0.69314%0.144SC*.Hα-helixtrans-59.2-43.1-177.7172.191.2000111.8K120 K121W117-K120 PolarHBondContact O-N 2.93Å; W117-K121 HydrophobicContact CD2-CG 4.22Å; W117-K121 HydrophobicContact CH2-CG 4.36Å; W117-K121 HydrophobicContact CZ2-CG 3.97Å; W117-K121 WeakPolarHBondContact O-CG 3.41Å; W117-K121 PolarHBondContact O-N 3.18Å
118L87.7Confident90.8Very high73 Ų7330.6 Ų30.638%0.38215%0.145SC..Hα-helixtrans-66.8-48.6-178.918061.5000111.1I14 S116 K120 K121 I122I14-L118 HydrophobicContact CG2-CD2 4.38Å; S116-L118 VanDerWaalsContact C-N 3.3Å; S116-L118 PolarHBondContact O-N 3.37Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.39Å; L118-K121 WeakPolarHBondContact O-CA 3.28Å; L118-K121 WeakPolarHBondContact O-CB 3.39Å; L118-K121 PolarHBondContact O-N 3.22Å; L118-I122 HydrophobicContact CG-CD1 4.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 3.33Å
119T89.3Confident89.9Confident5 Ų530.6 Ų30.63%0.03115%0.145CC..Hα-helixtrans-62.5-37.6178.6-58.40000111.4I115 S116 K121 I122 S123 L132 I137I115-T119 HydrophobicContact CD1-CG2 4.17Å; I115-T119 HydrophobicContact CG1-CG2 4.1Å; S116-T119 PolarHBondContact O-N 2.99Å; S116-T119 WeakPolarHBondContact OG-CB 3.31Å; S116-T119 PolarHBondContact OG-N 2.85Å; S116-T119 PolarHBondContact OG-OG1 3.23Å; S116-T119 VanDerWaalsContact OG-OG1 3.05Å; T119-K121 PolarHBondContact O-N 3.09Å; T119-I122 PolarHBondContact O-N 3.1Å; T119-S123 WeakPolarHBondContact O-CB 3.29Å; T119-S123 PolarHBondContact O-N 3.02Å; T119-L132 HydrophobicContact CG2-CD1 4.4Å; T119-L132 HydrophobicContact CG2-CD2 4.05Å; T119-I137 HydrophobicContact CG2-CD1 4.08Å; T119-I137 HydrophobicContact CG2-CG2 3.63Å
120K90.8Very high89Confident27 Ų2731.7 Ų31.712%0.11715%0.152CC..Hα-helixtrans-61-42.9171.7-176.760.2169.471.20111.9I115 S116 W117 L118 I122 S123 D124 L171 Y267I115-K120 HydrophobicContact CD1-CB 4.02Å; I115-K120 HydrophobicContact CD1-CD 4.05Å; I115-K120 HydrophobicContact CG1-CB 4.01Å; I115-K120 HydrophobicContact CG2-CB 4.23Å; I115-K120 HydrophobicContact CG2-CD 4.18Å; S116-K120 VanDerWaalsContact O-CB 3.26Å; S116-K120 WeakPolarHBondContact O-CB 3.37Å; S116-K120 PolarHBondContact O-N 2.85Å; W117-K120 PolarHBondContact O-N 2.93Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.39Å; K120-I122 VanDerWaalsContact C-N 3.31Å; K120-I122 PolarHBondContact O-N 3.22Å; K120-S123 PolarHBondContact O-N 2.66Å; K120-D124 IonicContact NZ-OD1 3.01Å; K120-D124 PolarHBondContact NZ-OD1 3.06Å; K120-D124 IonicContact NZ-OD2 3.36Å; K120-D124 PolarHBondContact NZ-OD2 3.12Å; K120-D124 WeakPolarHBondContact O-CB 3.34Å; K120-D124 PolarHBondContact O-N 3.24Å; K120-L171 HydrophobicContact CD-CD2 4.44Å; K120-Y267 HydrophobicContact CD-CE1 4.35Å
121K89Confident88.1Confident75 Ų7531.7 Ų31.733%0.32615%0.152SC..Hα-helixtrans-63.1-36.4176.5-73-64-177.4-173.60112.7W117 L118 T119 I125W117-K121 HydrophobicContact CD2-CG 4.22Å; W117-K121 HydrophobicContact CH2-CG 4.36Å; W117-K121 HydrophobicContact CZ2-CG 3.97Å; W117-K121 WeakPolarHBondContact O-CG 3.41Å; W117-K121 PolarHBondContact O-N 3.18Å; L118-K121 WeakPolarHBondContact O-CA 3.28Å; L118-K121 WeakPolarHBondContact O-CB 3.39Å; L118-K121 PolarHBondContact O-N 3.22Å; T119-K121 PolarHBondContact O-N 3.09Å; K121-I125 WeakPolarHBondContact O-CD1 3.49Å; K121-I125 VanDerWaalsContact O-CG1 3.32Å; K121-I125 WeakPolarHBondContact O-CG1 3.39Å; K121-I125 PolarHBondContact O-N 3.15Å
122I88Confident87.5Confident6 Ų630.1 Ų30.13%0.03114%0.142CC..Hα-helixtrans-69.5-45.7175.7-62.7161.6000110.3Y2 I14 L118 T119 K120 D124 I125 L128 L132Y2-I122 HydrophobicContact CD1-CD1 3.9Å; Y2-I122 HydrophobicContact CD1-CG1 4.25Å; Y2-I122 HydrophobicContact CE1-CD1 3.35Å; Y2-I122 HydrophobicContact CE1-CG1 3.95Å; Y2-I122 HydrophobicContact CE2-CD1 4.15Å; Y2-I122 HydrophobicContact CG-CD1 4.5Å; I14-I122 HydrophobicContact CD1-CD1 3.76Å; L118-I122 HydrophobicContact CG-CD1 4.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 3.33Å; T119-I122 PolarHBondContact O-N 3.1Å; K120-I122 VanDerWaalsContact C-N 3.31Å; K120-I122 PolarHBondContact O-N 3.22Å; I122-D124 PolarHBondContact O-N 3.2Å; I122-I125 PolarHBondContact O-N 3.18Å; I122-I125 VanDerWaalsContact O-N 3.1Å; I122-L128 HydrophobicContact CG2-CB 3.95Å; I122-L132 HydrophobicContact CB-CD1 4.44Å; I122-L132 HydrophobicContact CB-CD2 4.14Å; I122-L132 HydrophobicContact CG2-CD1 4.11Å; I122-L132 HydrophobicContact CG2-CD2 3.69Å; I122-L132 HydrophobicContact CG2-CG 3.91Å
123S90.6Very high87Confident0 Ų032 Ų320%015%0.149CC..Hα-helixtrans-58.2-37.5176.4172.70000112.1T119 K120 I125 L171 R263T119-S123 WeakPolarHBondContact O-CB 3.29Å; T119-S123 PolarHBondContact O-N 3.02Å; K120-S123 PolarHBondContact O-N 2.66Å; S123-I125 PolarHBondContact O-N 2.96Å; S123-L171 PolarHBondContact OG-O 2.83Å; S123-R263 WeakPolarHBondContact O-CD 3.27Å; S123-R263 PolarHBondContact O-NE 2.98Å
124D91.5Very high86.5Confident16 Ų1633 Ų339%0.08616%0.163CC..Hα-helixtrans-67.6-23.5178.9-74.5-15.6000113.8K120 I122 P126 Q262 R263K120-D124 IonicContact NZ-OD1 3.01Å; K120-D124 PolarHBondContact NZ-OD1 3.06Å; K120-D124 IonicContact NZ-OD2 3.36Å; K120-D124 PolarHBondContact NZ-OD2 3.12Å; K120-D124 WeakPolarHBondContact O-CB 3.34Å; K120-D124 PolarHBondContact O-N 3.24Å; I122-D124 PolarHBondContact O-N 3.2Å; D124-P126 WeakPolarHBondContact O-CD 3.3Å; D124-Q262 WeakPolarHBondContact O-CA 3.48Å; D124-R263 PolarHBondContact O-N 2.81Å
125I90.1Very high86Confident6 Ų629 Ų293%0.03114%0.144CC..SBendtrans-84.5106.8176.6-60.7163.9000108K121 I122 S123 L127 L128 A129 Y410 L418K121-I125 WeakPolarHBondContact O-CD1 3.49Å; K121-I125 VanDerWaalsContact O-CG1 3.32Å; K121-I125 WeakPolarHBondContact O-CG1 3.39Å; K121-I125 PolarHBondContact O-N 3.15Å; I122-I125 PolarHBondContact O-N 3.18Å; I122-I125 VanDerWaalsContact O-N 3.1Å; S123-I125 PolarHBondContact O-N 2.96Å; I125-L127 VanDerWaalsContact C-N 3.27Å; I125-L127 PolarHBondContact O-N 3.49Å; I125-L127 VanDerWaalsContact O-N 3.09Å; I125-L128 HydrophobicContact CB-CB 4.24Å; I125-L128 HydrophobicContact CB-CD1 4.03Å; I125-L128 HydrophobicContact CB-CG 4.13Å; I125-L128 HydrophobicContact CD1-CD1 3.76Å; I125-L128 HydrophobicContact CG1-CD1 4.5Å; I125-L128 HydrophobicContact CG2-CB 4.24Å; I125-L128 HydrophobicContact CG2-CD1 3.82Å; I125-L128 HydrophobicContact CG2-CG 3.69Å; I125-L128 PolarHBondContact O-N 2.73Å; I125-A129 PolarHBondContact O-N 3.13Å; I125-Y410 HydrophobicContact CD1-CE1 4.27Å; I125-Y410 HydrophobicContact CG1-CE1 3.66Å; I125-Y410 HydrophobicContact CG2-CE1 4.47Å; I125-Y410 HydrophobicContact CG2-CE2 4.29Å; I125-L418 HydrophobicContact CG2-CB 3.87Å; I125-L418 HydrophobicContact CG2-CD2 4.02Å; I125-L418 HydrophobicContact CG2-CG 4.41Å
126P88.3Confident85.6Confident0 Ų031.2 Ų31.20%017%0.17CC..THydrogen-bonded Turntrans-55.1-38.4-167.5-3038.1000114.7D124 L128 M175 V258 A261 L418D124-P126 WeakPolarHBondContact O-CD 3.3Å; P126-L128 VanDerWaalsContact C-N 3.35Å; P126-L128 PolarHBondContact O-N 3.1Å; P126-M175 HydrophobicContact CB-CE 3.79Å; P126-M175 HydrophobicContact CB-SD 3.67Å; P126-M175 HydrophobicContact CG-SD 4.24Å; P126-M175 WeakPolarHBondContact O-CE 3.32Å; P126-V258 HydrophobicContact CB-CG2 4.3Å; P126-V258 HydrophobicContact CG-CG1 4.21Å; P126-V258 HydrophobicContact CG-CG2 3.99Å; P126-A261 WeakPolarHBondContact CD-O 3.23Å; P126-A261 WeakPolarHBondContact CG-O 3.27Å; P126-L418 WeakPolarHBondContact CD-O 3.3Å
127L84.9Confident85.6Confident5 Ų530.2 Ų30.23%0.02616%0.162CC..THydrogen-bonded Turntrans-73.4-24.3-178.9-169.563000113.9I125 V397 L402 L417 L418 Q420 A423 F455I125-L127 VanDerWaalsContact C-N 3.27Å; I125-L127 PolarHBondContact O-N 3.49Å; I125-L127 VanDerWaalsContact O-N 3.09Å; L127-V397 HydrophobicContact CD2-CG1 4.01Å; L127-L402 HydrophobicContact CD2-CD2 4.05Å; L127-L417 HydrophobicContact CD2-CD1 3.66Å; L127-L417 HydrophobicContact CD2-CD2 4.16Å; L127-L417 HydrophobicContact CD2-CG 3.48Å; L127-L417 VanDerWaalsContact CD2-CG 3.48Å; L127-L417 WeakPolarHBondContact CD2-O 3.39Å; L127-L418 HydrophobicContact CB-CD2 4.47Å; L127-L418 HydrophobicContact CD2-CD2 4.34Å; L127-L418 PolarHBondContact N-O 2.96Å; L127-Q420 PolarHBondContact N-O 3.4Å; L127-A423 HydrophobicContact CD1-CB 4.03Å; L127-F455 HydrophobicContact CD1-CE2 4.17Å; L127-F455 HydrophobicContact CD1-CZ 3.72Å; L127-F455 HydrophobicContact CG-CZ 4.25Å
128L83.9Confident85.8Confident2 Ų222.3 Ų22.31%0.0113%0.134CC..THydrogen-bonded Turntrans-91.8-11.9-174.5-59.3-176.6000113.2I3 I122 I125 P126 P130 L131 L402 L418I3-L128 HydrophobicContact CD1-CD1 4.07Å; I3-L128 HydrophobicContact CG1-CD1 4.12Å; I122-L128 HydrophobicContact CG2-CB 3.95Å; I125-L128 HydrophobicContact CB-CB 4.24Å; I125-L128 HydrophobicContact CB-CD1 4.03Å; I125-L128 HydrophobicContact CB-CG 4.13Å; I125-L128 HydrophobicContact CD1-CD1 3.76Å; I125-L128 HydrophobicContact CG1-CD1 4.5Å; I125-L128 HydrophobicContact CG2-CB 4.24Å; I125-L128 HydrophobicContact CG2-CD1 3.82Å; I125-L128 HydrophobicContact CG2-CG 3.69Å; I125-L128 PolarHBondContact O-N 2.73Å; P126-L128 VanDerWaalsContact C-N 3.35Å; P126-L128 PolarHBondContact O-N 3.1Å; L128-P130 VanDerWaalsContact C-CD 3.41Å; L128-P130 VanDerWaalsContact C-N 3.32Å; L128-L131 HydrophobicContact CB-CD1 4.29Å; L128-L131 HydrophobicContact CD2-CD1 3.78Å; L128-L131 VanDerWaalsContact O-CB 3.25Å; L128-L131 WeakPolarHBondContact O-CB 3.23Å; L128-L131 WeakPolarHBondContact O-CG 3.4Å; L128-L131 PolarHBondContact O-N 2.73Å; L128-L402 HydrophobicContact CD2-CD1 4.31Å; L128-L418 HydrophobicContact CD1-CD2 4.3Å; L128-L418 HydrophobicContact CD2-CD2 3.89Å; L128-L418 HydrophobicContact CG-CD2 3.99Å
129A81Confident86Confident1 Ų121 Ų211%0.00813%0.128CC..G310 helixtrans-53.5-39-17800000114.7I125 L131 L132I125-A129 PolarHBondContact O-N 3.13Å; A129-L131 PolarHBondContact O-N 3.38Å; A129-L131 VanDerWaalsContact O-N 3.14Å; A129-L132 WeakPolarHBondContact O-CB 3.18Å; A129-L132 PolarHBondContact O-N 3.34Å; A129-L132 VanDerWaalsContact O-N 3.07Å
130P79Confident86.1Confident24 Ų2424.1 Ų24.116%0.15614%0.144CC..G310 helixtrans-61-22.1175.9-24.935.9000114.4L128 L132 Y133L128-P130 VanDerWaalsContact C-CD 3.41Å; L128-P130 VanDerWaalsContact C-N 3.32Å; P130-L132 PolarHBondContact O-N 2.83Å; P130-Y133 HydrophobicContact CB-CD2 4.47Å; P130-Y133 WeakPolarHBondContact O-CD2 3.15Å; P130-Y133 PolarHBondContact O-N 3.04Å
131L78.4Confident86.2Confident9 Ų924.5 Ų24.55%0.04715%0.147CC..G310 helixtrans-72.8-11178.6-56.1176.6000112.8I6 L128 A129 R135 E456I6-L131 HydrophobicContact CD1-CD1 3.55Å; I6-L131 HydrophobicContact CG1-CD1 4.32Å; I6-L131 HydrophobicContact CG2-CD1 3.94Å; L128-L131 HydrophobicContact CB-CD1 4.29Å; L128-L131 HydrophobicContact CD2-CD1 3.78Å; L128-L131 VanDerWaalsContact O-CB 3.25Å; L128-L131 WeakPolarHBondContact O-CB 3.23Å; L128-L131 WeakPolarHBondContact O-CG 3.4Å; L128-L131 PolarHBondContact O-N 2.73Å; A129-L131 PolarHBondContact O-N 3.38Å; A129-L131 VanDerWaalsContact O-N 3.14Å; L131-R135 WeakPolarHBondContact O-CD 3.31Å; L131-R135 PolarHBondContact O-NE 3.03Å; L131-E456 HydrophobicContact CD2-CG 4.06Å
132L83.1Confident86.5Confident1 Ų126.1 Ų26.11%0.00515%0.151CC..G310 helixtrans-86.8-11.5179.2-62.6176.5000113.4T119 I122 A129 P130 G134 R135 I137 L172T119-L132 HydrophobicContact CG2-CD1 4.4Å; T119-L132 HydrophobicContact CG2-CD2 4.05Å; I122-L132 HydrophobicContact CB-CD1 4.44Å; I122-L132 HydrophobicContact CB-CD2 4.14Å; I122-L132 HydrophobicContact CG2-CD1 4.11Å; I122-L132 HydrophobicContact CG2-CD2 3.69Å; I122-L132 HydrophobicContact CG2-CG 3.91Å; A129-L132 WeakPolarHBondContact O-CB 3.18Å; A129-L132 PolarHBondContact O-N 3.34Å; A129-L132 VanDerWaalsContact O-N 3.07Å; P130-L132 PolarHBondContact O-N 2.83Å; L132-G134 PolarHBondContact O-N 2.74Å; L132-R135 PolarHBondContact O-N 3.09Å; L132-I137 HydrophobicContact CB-CD1 3.85Å; L132-I137 HydrophobicContact CB-CG1 4.21Å; L132-I137 HydrophobicContact CD1-CD1 3.76Å; L132-I137 HydrophobicContact CG-CD1 4.31Å; L132-L172 HydrophobicContact CB-CD2 3.63Å; L132-L172 HydrophobicContact CD1-CD2 4.49Å
133Y82.7Confident86.9Confident40 Ų4026 Ų2616%0.15715%0.151CC..THydrogen-bonded Turntrans-63.1132.5176.4-77-67.8000111.3P130 R135 P161 L172 L463P130-Y133 HydrophobicContact CB-CD2 4.47Å; P130-Y133 WeakPolarHBondContact O-CD2 3.15Å; P130-Y133 PolarHBondContact O-N 3.04Å; Y133-R135 VanDerWaalsContact C-N 3.25Å; Y133-R135 PolarHBondContact O-N 3.21Å; Y133-P161 HydrophobicContact CD1-CB 3.75Å; Y133-P161 HydrophobicContact CD1-CG 4.17Å; Y133-P161 HydrophobicContact CE1-CB 3.81Å; Y133-P161 HydrophobicContact CE1-CG 3.93Å; Y133-L172 HydrophobicContact CE1-CB 4.41Å; Y133-L172 PolarHBondContact OH-O 2.87Å; Y133-L463 HydrophobicContact CD1-CD1 4.46Å; Y133-L463 HydrophobicContact CD1-CD2 4.41Å; Y133-L463 HydrophobicContact CD2-CD2 4.34Å; Y133-L463 HydrophobicContact CG-CD2 4.19Å
134G80.7Confident87.2Confident46 Ų4628 Ų2847%0.47416%0.162SC..THydrogen-bonded Turntrans69.417.6-176.800000114.3L132 D138L132-G134 PolarHBondContact O-N 2.74Å; G134-D138 WeakPolarHBondContact CA-OD1 3.02Å; G134-D138 VanDerWaalsContact N-CG 3.29Å; G134-D138 PolarHBondContact N-OD1 2.92Å; G134-D138 PolarHBondContact N-OD2 3.41Å
135R80.8Confident87.5Confident50 Ų5030.4 Ų30.419%0.18918%0.18CC..THydrogen-bonded Turntrans-118.733.6-176.4-55.5-161.9-169.8-170.510113.7L12 L131 L132 Y133 D138 E456L12-R135 PolarHBondContact O-NH1 2.86Å; L131-R135 WeakPolarHBondContact O-CD 3.31Å; L131-R135 PolarHBondContact O-NE 3.03Å; L132-R135 PolarHBondContact O-N 3.09Å; Y133-R135 VanDerWaalsContact C-N 3.25Å; Y133-R135 PolarHBondContact O-N 3.21Å; R135-D138 PolarHBondContact N-OD1 3.14Å; R135-E456 VanDerWaalsContact NH2-CD 3.28Å; R135-E456 IonicContact NH2-OE1 3.71Å; R135-E456 PolarHBondContact NH2-OE1 2.81Å; R135-E456 IonicContact NH2-OE2 2.74Å; R135-E456 PolarHBondContact NH2-OE2 2.99Å
136G81.1Confident87.8Confident59 Ų5930.3 Ų30.361%0.60818%0.18SC*.THydrogen-bonded Turntrans92.3-6.116500000116.2
137I89.1Confident88.2Confident6 Ų637.7 Ų37.73%0.03122%0.218CC..SBendtrans-100.84.2171.265.4161.3000113.5T119 L132 H164 V165 L172T119-I137 HydrophobicContact CG2-CD1 4.08Å; T119-I137 HydrophobicContact CG2-CG2 3.63Å; L132-I137 HydrophobicContact CB-CD1 3.85Å; L132-I137 HydrophobicContact CB-CG1 4.21Å; L132-I137 HydrophobicContact CD1-CD1 3.76Å; L132-I137 HydrophobicContact CG-CD1 4.31Å; I137-H164 CarbonylContact O-C 3.59Å; I137-H164 PolarHBondContact O-N 2.89Å; I137-V165 HydrophobicContact CB-CB 4.15Å; I137-V165 HydrophobicContact CB-CG1 4.14Å; I137-V165 HydrophobicContact CG2-CG2 4.4Å; I137-L172 HydrophobicContact CD1-CD1 4.33Å; I137-L172 HydrophobicContact CD1-CD2 3.43Å; I137-L172 VanDerWaalsContact CD1-CD2 3.43Å; I137-L172 HydrophobicContact CD1-CG 3.89Å; I137-L172 HydrophobicContact CG1-CD1 4.29Å; I137-L172 HydrophobicContact CG1-CD2 3.87Å; I137-L172 HydrophobicContact CG1-CG 4.35Å
138D91.2Very high88.7Confident18 Ų1839.2 Ų39.210%0.09623%0.229CC..EExtended strand (participates in β ladder)trans-128.8155.9175.760.4-25.1000111.5G134 R135 R162 L172G134-D138 WeakPolarHBondContact CA-OD1 3.02Å; G134-D138 VanDerWaalsContact N-CG 3.29Å; G134-D138 PolarHBondContact N-OD1 2.92Å; G134-D138 PolarHBondContact N-OD2 3.41Å; R135-D138 PolarHBondContact N-OD1 3.14Å; D138-R162 CarbonylContact C-O 3.42Å; D138-R162 WeakPolarHBondContact CA-O 3.47Å; D138-R162 WeakPolarHBondContact CB-O 3.19Å; D138-L172 HydrophobicContact CB-CD1 3.81Å
139V92Very high89.3Confident44 Ų4439.1 Ų39.127%0.26723%0.228SC..EExtended strand (participates in β ladder)trans-111.9134.2163.166.50000107.3R162 H164V139-R162 HydrophobicContact CG1-CB 4.36Å; V139-R162 PolarHBondContact N-O 2.77Å; V139-R162 PolarHBondContact O-N 3.43Å; V139-H164 HydrophobicContact CB-CB 3.96Å; V139-H164 HydrophobicContact CG1-CB 4.04Å
140I91.7Very high90.1Very high71 Ų7139 Ų3936%0.36423%0.228SC..EExtended strand (participates in β ladder)trans-102.5100.4179.9-56.3178.2000107.5L159 P161I140-L159 HydrophobicContact CG2-CB 3.69Å; I140-L159 HydrophobicContact CG2-CD1 4.27Å; I140-L159 HydrophobicContact CG2-CD2 3.94Å; I140-L159 HydrophobicContact CG2-CG 4.16Å; I140-P161 HydrophobicContact CG1-CB 4.47Å
141E92.7Very high90.8Very high36 Ų3641.2 Ų41.217%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-79.1151.9174-60.8-74.4-172.600109.4L160 K345 I518E141-L160 HydrophobicContact CB-CB 4.3Å; E141-L160 PolarHBondContact N-O 3.16Å; E141-L160 VanDerWaalsContact N-O 3.1Å; E141-L160 PolarHBondContact O-N 3.27Å; E141-K345 WeakPolarHBondContact OE1-CE 3.49Å; E141-K345 IonicContact OE1-NZ 2.91Å; E141-K345 PolarHBondContact OE1-NZ 2.8Å; E141-K345 VanDerWaalsContact OE1-NZ 3.07Å; E141-I518 HydrophobicContact CB-CD1 3.72Å; E141-I518 HydrophobicContact CG-CD1 4.3Å
142R94.7Very high91.6Very high108 Ų10842.8 Ų42.841%0.40824%0.244SC..EExtended strand (participates in β ladder)trans-117.4134.9-178.5-176.3-179.6169.1-158.1-12.4110.4E155 A157 L159R142-E155 IonicContact CZ-OE2 2.72Å; R142-E155 IonicContact NH1-OE1 2.55Å; R142-E155 IonicContact NH1-OE2 2.73Å; R142-E155 PolarHBondContact NH1-OE2 3.43Å; R142-E155 VanDerWaalsContact NH2-CD 3.32Å; R142-E155 IonicContact NH2-OE2 3.41Å; R142-E155 PolarHBondContact NH2-OE2 3.1Å; R142-A157 HydrophobicContact CG-CB 4.05Å; R142-A157 VanDerWaalsContact NE-CB 3.29Å; R142-L159 HydrophobicContact CB-CD2 4.04Å; R142-L159 HydrophobicContact CG-CD2 4.02Å
143T97.1Very high92.1Very high5 Ų543 Ų433%0.03125%0.245CC..BIsolated β-bridgetrans-72.8159.6173.669.50000111.7I158 L160 I518 P520T143-I158 HydrophobicContact CG2-CB 4Å; T143-I158 WeakPolarHBondContact CG2-O 3.39Å; T143-I158 PolarHBondContact N-O 2.92Å; T143-I158 PolarHBondContact OG1-N 2.89Å; T143-I158 PolarHBondContact OG1-O 3.31Å; T143-L160 HydrophobicContact CG2-CD1 3.67Å; T143-L160 HydrophobicContact CG2-CD2 4.47Å; T143-L160 HydrophobicContact CG2-CG 3.99Å; T143-I518 CarbonylContact C-O 3.48Å; T143-I518 WeakPolarHBondContact CA-O 2.91Å; T143-I518 WeakPolarHBondContact CB-O 3.48Å; T143-P520 HydrophobicContact CG2-CG 3.76Å
144T96.6Very high92.6Very high40 Ų4044.6 Ų44.625%0.24525%0.253CS..PPolyproline II helixtrans-57.9160.8159.959.60000110.5Q146 K517 I518 N519T144-Q146 PolarHBondContact O-N 2.77Å; T144-Q146 PolarHBondContact O-NE2 2.98Å; T144-K517 HydrophobicContact CG2-CB 3.81Å; T144-K517 HydrophobicContact CG2-CG 4.41Å; T144-I518 PolarHBondContact N-O 3Å; T144-I518 PolarHBondContact OG1-O 3.14Å; T144-N519 HydrophobicContact CG2-CB 4.38Å; T144-N519 WeakPolarHBondContact OG1-CA 3.34Å; T144-N519 VanDerWaalsContact OG1-CB 3.31Å; T144-N519 WeakPolarHBondContact OG1-CB 3.39Å; T144-N519 PolarHBondContact OG1-OD1 2.82Å
145S97.6Very high93.3Very high67 Ų6748.7 Ų48.747%0.46926%0.26SS..PPolyproline II helixtrans-58.9128.9173.9-159.90000110E155S145-E155 PolarHBondContact OG-O 3.37Å
146Q97.1Very high94.1Very high5 Ų548.9 Ų48.92%0.02326%0.264CS..PPolyproline II helixtrans-89.3141.6-177.7-60.5-57.8-71.500110.6T144 S149 A150 N156 I158 N519T144-Q146 PolarHBondContact O-N 2.77Å; T144-Q146 PolarHBondContact O-NE2 2.98Å; Q146-S149 VanDerWaalsContact CB-O 3.29Å; Q146-S149 WeakPolarHBondContact CB-O 3.25Å; Q146-A150 HydrophobicContact CB-CB 4.49Å; Q146-N156 WeakPolarHBondContact CB-O 3.39Å; Q146-N156 WeakPolarHBondContact CG-O 3.27Å; Q146-N156 PolarHBondContact N-O 3.28Å; Q146-I158 HydrophobicContact CG-CD1 4.41Å; Q146-N519 PolarHBondContact NE2-OD1 2.93Å
147I96.5Very high94.8Very high155 Ų15546 Ų4680%0.79524%0.235SC*.SBendtrans-95.6-36.5-176.3-57.7172.8000111.6
148S96.3Very high95.1Very high36 Ų3645.9 Ų45.925%0.25223%0.234SC..SBendtrans-112.11.2-173-54.70000114L523S148-L523 WeakPolarHBondContact CB-O 3.5Å
149S96.9Very high95.3Very high0 Ų046.4 Ų46.40%024%0.237CC..SBendtrans-149.6169.2-174.580.80000110.7Q146 L151 Y522 K606Q146-S149 VanDerWaalsContact CB-O 3.29Å; Q146-S149 WeakPolarHBondContact CB-O 3.25Å; S149-L151 PolarHBondContact O-N 2.87Å; S149-Y522 WeakPolarHBondContact CB-O 3.37Å; S149-Y522 WeakPolarHBondContact OG-CB 3.21Å; S149-K606 CarbonylContact C-O 3.49Å; S149-K606 VanDerWaalsContact CA-O 3.28Å; S149-K606 WeakPolarHBondContact CA-O 3.38Å
150A95.9Very high95.4Very high0 Ų044.7 Ų44.70%023%0.226CC..  trans54.225.4175.500000114.9Q146 K152 L153 N156 I158 K606 S607Q146-A150 HydrophobicContact CB-CB 4.49Å; A150-K152 PolarHBondContact O-N 2.96Å; A150-L153 HydrophobicContact CB-CB 4.31Å; A150-L153 HydrophobicContact CB-CD1 3.6Å; A150-L153 HydrophobicContact CB-CG 3.88Å; A150-L153 WeakPolarHBondContact O-CB 3.28Å; A150-L153 PolarHBondContact O-N 3.19Å; A150-N156 WeakPolarHBondContact O-CA 3.26Å; A150-I158 HydrophobicContact CB-CD1 3.98Å; A150-I158 HydrophobicContact CB-CG1 3.71Å; A150-K606 PolarHBondContact N-O 3.29Å; A150-S607 CarbonylContact C-O 3.59Å; A150-S607 VanDerWaalsContact C-O 3.24Å; A150-S607 WeakPolarHBondContact CA-O 3.46Å
151L95.5Very high95.4Very high69 Ų6941.8 Ų41.836%0.36121%0.212SC..THydrogen-bonded Turntrans-64.6-10.5-171.2-58.3177.7000115S149 N156 K606 S607S149-L151 PolarHBondContact O-N 2.87Å; L151-N156 PolarHBondContact O-OD1 3.06Å; L151-K606 HydrophobicContact CD1-CB 4.12Å; L151-K606 WeakPolarHBondContact CG-O 3.31Å; L151-K606 PolarHBondContact N-O 3.34Å; L151-S607 PolarHBondContact N-O 3.49Å; L151-S607 VanDerWaalsContact N-O 3.17Å
152K93.4Very high95.4Very high43 Ų4342.1 Ų42.119%0.18721%0.212CC..THydrogen-bonded Turntrans-112.3-0.7176.1-66.8-69.4169.3-169.20113.7A150 N467 T470 F573 E575 S607A150-K152 PolarHBondContact O-N 2.96Å; K152-N467 PolarHBondContact O-ND2 3.15Å; K152-T470 HydrophobicContact CB-CG2 3.7Å; K152-T470 PolarHBondContact O-OG1 2.98Å; K152-F573 HydrophobicContact CG-CG 4.34Å; K152-E575 VanDerWaalsContact CE-OE2 3.28Å; K152-E575 WeakPolarHBondContact CE-OE2 3.44Å; K152-E575 IonicContact NZ-OE1 2.82Å; K152-E575 PolarHBondContact NZ-OE1 3.46Å; K152-E575 IonicContact NZ-OE2 2.7Å; K152-E575 PolarHBondContact NZ-OE2 3.42Å; K152-S607 PolarHBondContact N-O 3.36Å
153L93.9Very high95.3Very high4 Ų437.1 Ų37.12%0.02119%0.194CC..BIsolated β-bridgetrans-78.7160.1172.6-51.8-171.1000109.9A150 E155 N156 I158 G464 F466 L610A150-L153 HydrophobicContact CB-CB 4.31Å; A150-L153 HydrophobicContact CB-CD1 3.6Å; A150-L153 HydrophobicContact CB-CG 3.88Å; A150-L153 WeakPolarHBondContact O-CB 3.28Å; A150-L153 PolarHBondContact O-N 3.19Å; L153-E155 PolarHBondContact O-N 2.86Å; L153-E155 VanDerWaalsContact O-N 3.14Å; L153-N156 PolarHBondContact O-N 3.19Å; L153-N156 VanDerWaalsContact O-N 3.09Å; L153-I158 HydrophobicContact CD1-CG1 4.1Å; L153-G464 WeakPolarHBondContact CD2-O 3.26Å; L153-F466 HydrophobicContact CD2-CD1 3.61Å; L153-F466 HydrophobicContact CD2-CE1 3.62Å; L153-F466 HydrophobicContact CD2-CG 4.14Å; L153-F466 HydrophobicContact CD2-CZ 4.14Å; L153-L610 HydrophobicContact CD1-CD2 3.6Å
154K94.7Very high95.2Very high74 Ų7439.4 Ų39.432%0.32221%0.205SC..G310 helixtrans-56.8123.9178.1-68.1168.7176.6152.10109.3N156 A157 N465 F466 N467K154-N156 PolarHBondContact O-N 3.22Å; K154-N156 VanDerWaalsContact O-N 3.09Å; K154-A157 PolarHBondContact O-N 2.82Å; K154-A157 VanDerWaalsContact O-N 3.14Å; K154-N465 WeakPolarHBondContact CG-O 3.43Å; K154-N465 PolarHBondContact N-O 2.86Å; K154-N465 PolarHBondContact O-ND2 3.37Å; K154-F466 WeakPolarHBondContact CE-O 3.2Å; K154-F466 PolarHBondContact NZ-O 3.35Å; K154-N467 HydrophobicContact CG-CB 4.1Å
155E95.5Very high95.2Very high132 Ų13237.5 Ų37.562%0.61719%0.193SC*.G310 helixtrans56.424.1179-59.8173-13500114.1R142 S145 L153 A157R142-E155 IonicContact CZ-OE2 2.72Å; R142-E155 IonicContact NH1-OE1 2.55Å; R142-E155 IonicContact NH1-OE2 2.73Å; R142-E155 PolarHBondContact NH1-OE2 3.43Å; R142-E155 VanDerWaalsContact NH2-CD 3.32Å; R142-E155 IonicContact NH2-OE2 3.41Å; R142-E155 PolarHBondContact NH2-OE2 3.1Å; S145-E155 PolarHBondContact OG-O 3.37Å; L153-E155 PolarHBondContact O-N 2.86Å; L153-E155 VanDerWaalsContact O-N 3.14Å; E155-A157 PolarHBondContact O-N 2.86Å; E155-A157 VanDerWaalsContact O-N 3.17Å
156N95.9Very high95.1Very high54 Ų5434.5 Ų34.529%0.28917%0.172SC..G310 helixtrans51.432.8-174.4-43.4-30.9000113.3Q146 A150 L151 L153 K154Q146-N156 WeakPolarHBondContact CB-O 3.39Å; Q146-N156 WeakPolarHBondContact CG-O 3.27Å; Q146-N156 PolarHBondContact N-O 3.28Å; A150-N156 WeakPolarHBondContact O-CA 3.26Å; L151-N156 PolarHBondContact O-OD1 3.06Å; L153-N156 PolarHBondContact O-N 3.19Å; L153-N156 VanDerWaalsContact O-N 3.09Å; K154-N156 PolarHBondContact O-N 3.22Å; K154-N156 VanDerWaalsContact O-N 3.09Å
157A96.6Very high94.9Very high0 Ų034.3 Ų34.30%017%0.171CC..  trans-112.8151.5-177.400000111.2R142 K154 E155 N465R142-A157 HydrophobicContact CG-CB 4.05Å; R142-A157 VanDerWaalsContact NE-CB 3.29Å; K154-A157 PolarHBondContact O-N 2.82Å; K154-A157 VanDerWaalsContact O-N 3.14Å; E155-A157 PolarHBondContact O-N 2.86Å; E155-A157 VanDerWaalsContact O-N 3.17Å; A157-N465 PolarHBondContact O-ND2 3Å
158I96.2Very high94.9Very high2 Ų227.1 Ų27.11%0.0114%0.135CC..  trans-108.4140.7177.8-57171000107.4T143 Q146 A150 L153 L160 Y522T143-I158 HydrophobicContact CG2-CB 4Å; T143-I158 WeakPolarHBondContact CG2-O 3.39Å; T143-I158 PolarHBondContact N-O 2.92Å; T143-I158 PolarHBondContact OG1-N 2.89Å; T143-I158 PolarHBondContact OG1-O 3.31Å; Q146-I158 HydrophobicContact CG-CD1 4.41Å; A150-I158 HydrophobicContact CB-CD1 3.98Å; A150-I158 HydrophobicContact CB-CG1 3.71Å; L153-I158 HydrophobicContact CD1-CG1 4.1Å; I158-L160 HydrophobicContact CG2-CD2 4.09Å; I158-Y522 HydrophobicContact CD1-CD2 3.36Å; I158-Y522 HydrophobicContact CD1-CE2 3.38Å
159L94.9Very high94.8Very high30 Ų3027.6 Ų27.616%0.15714%0.136CC..EExtended strand (participates in β ladder)trans-95.4135.1174.5-64.8176.3000109.7I140 R142 P161 N462 N465I140-L159 HydrophobicContact CG2-CB 3.69Å; I140-L159 HydrophobicContact CG2-CD1 4.27Å; I140-L159 HydrophobicContact CG2-CD2 3.94Å; I140-L159 HydrophobicContact CG2-CG 4.16Å; R142-L159 HydrophobicContact CB-CD2 4.04Å; R142-L159 HydrophobicContact CG-CD2 4.02Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; L159-N462 VanDerWaalsContact CD1-O 3.24Å; L159-N462 WeakPolarHBondContact CD1-O 3.48Å; L159-N465 HydrophobicContact CD1-CB 3.8Å; L159-N465 HydrophobicContact CG-CB 3.82Å
160L94.1Very high94.7Very high7 Ų727.7 Ų27.74%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-120.782.1-172.4-59.4-179.9000109.1E141 T143 I158 R162 I518 Y613 L615E141-L160 HydrophobicContact CB-CB 4.3Å; E141-L160 PolarHBondContact N-O 3.16Å; E141-L160 VanDerWaalsContact N-O 3.1Å; E141-L160 PolarHBondContact O-N 3.27Å; T143-L160 HydrophobicContact CG2-CD1 3.67Å; T143-L160 HydrophobicContact CG2-CD2 4.47Å; T143-L160 HydrophobicContact CG2-CG 3.99Å; I158-L160 HydrophobicContact CG2-CD2 4.09Å; L160-R162 PolarHBondContact O-N 3.35Å; L160-I518 HydrophobicContact CD1-CG2 3.93Å; L160-Y613 HydrophobicContact CD2-CD1 4.45Å; L160-L615 HydrophobicContact CD1-CD1 4.36Å; L160-L615 HydrophobicContact CD1-CD2 3.74Å; L160-L615 HydrophobicContact CD2-CD1 4.14Å
161P91.9Very high94.6Very high10 Ų1027.7 Ų27.77%0.06514%0.137CC..EExtended strand (participates in β ladder)trans-62.6133.8173.930.7-39.6000110.8Y133 I140 L159 L463 Y613Y133-P161 HydrophobicContact CD1-CB 3.75Å; Y133-P161 HydrophobicContact CD1-CG 4.17Å; Y133-P161 HydrophobicContact CE1-CB 3.81Å; Y133-P161 HydrophobicContact CE1-CG 3.93Å; I140-P161 HydrophobicContact CG1-CB 4.47Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-L463 HydrophobicContact CB-CD1 3.87Å; P161-L463 HydrophobicContact CG-CD1 3.68Å; P161-L463 HydrophobicContact CG-CD2 4.35Å; P161-L463 HydrophobicContact CG-CG 4.25Å; P161-Y613 VanDerWaalsContact CD-CE1 3.4Å; P161-Y613 HydrophobicContact CG-CD1 3.98Å; P161-Y613 HydrophobicContact CG-CD2 4.48Å; P161-Y613 HydrophobicContact CG-CE1 3.76Å; P161-Y613 HydrophobicContact CG-CE2 4.27Å; P161-Y613 HydrophobicContact CG-CG 4.32Å
162R92.4Very high94.3Very high43 Ų4324.5 Ų24.516%0.16212%0.12CC..EExtended strand (participates in β ladder)trans-136.5138.9175.7-176.4-171.665.7117.17.7109.2D138 V139 L160 H164 V341D138-R162 CarbonylContact C-O 3.42Å; D138-R162 WeakPolarHBondContact CA-O 3.47Å; D138-R162 WeakPolarHBondContact CB-O 3.19Å; V139-R162 HydrophobicContact CG1-CB 4.36Å; V139-R162 PolarHBondContact N-O 2.77Å; V139-R162 PolarHBondContact O-N 3.43Å; L160-R162 PolarHBondContact O-N 3.35Å; R162-H164 PolarHBondContact O-N 3.1Å; R162-V341 PolarHBondContact NH1-O 3.31Å
163G93.2Very high94.2Very high4 Ų423.8 Ų23.84%0.04112%0.118CC..EExtended strand (participates in β ladder)trans-57.4126.7174.600000111.4T169G163-T169 PolarHBondContact N-OG1 3.29Å; G163-T169 VanDerWaalsContact N-OG1 3.09Å
164H95.1Very high94Very high53 Ų5325.4 Ų25.425%0.24513%0.132CC..  trans-124.161.6178.4-168.2-114.3000108.8S111 G112 I137 V139 R162S111-H164 WeakPolarHBondContact CB-NE2 3.48Å; S111-H164 PolarHBondContact O-CE1 3.48Å; S111-H164 PolarHBondContact O-NE2 2.88Å; S111-H164 PolarHBondContact OG-CD2 3.48Å; S111-H164 VanDerWaalsContact OG-CD2 3.25Å; S111-H164 PolarHBondContact OG-NE2 3.1Å; G112-H164 VanDerWaalsContact CA-C 3.49Å; G112-H164 VanDerWaalsContact CA-O 3.26Å; G112-H164 WeakPolarHBondContact CA-O 3.31Å; G112-H164 PolarHBondContact N-NE2 3.17Å; I137-H164 CarbonylContact O-C 3.59Å; I137-H164 PolarHBondContact O-N 2.89Å; V139-H164 HydrophobicContact CB-CB 3.96Å; V139-H164 HydrophobicContact CG1-CB 4.04Å; R162-H164 PolarHBondContact O-N 3.1Å
165V95Very high94Very high0 Ų021.9 Ų21.90%012%0.117CC..BIsolated β-bridgetrans-158.7153.3-174.164.60000107.9S113 I115 I137 G167 G168 L171S113-V165 CarbonylContact O-C 3.4Å; S113-V165 WeakPolarHBondContact O-CA 3.49Å; S113-V165 VanDerWaalsContact O-CG2 3.29Å; S113-V165 WeakPolarHBondContact O-CG2 3.43Å; I115-V165 HydrophobicContact CB-CG2 3.66Å; I115-V165 HydrophobicContact CG1-CG2 4.33Å; I137-V165 HydrophobicContact CB-CB 4.15Å; I137-V165 HydrophobicContact CB-CG1 4.14Å; I137-V165 HydrophobicContact CG2-CG2 4.4Å; V165-G167 PolarHBondContact O-N 2.8Å; V165-G167 VanDerWaalsContact O-N 3.13Å; V165-G168 WeakPolarHBondContact O-CA 3.46Å; V165-G168 PolarHBondContact O-N 3.27Å; V165-L171 HydrophobicContact CG1-CD1 4.03Å
166L95.1Very high93.9Very high4 Ų416.1 Ų16.12%0.0219%0.09CC..THydrogen-bonded Turntrans-57.9119.8172.8-17166.8000111L108 E110 S113 L171 Y267 L271 I275 I284 T286L108-L166 HydrophobicContact CD2-CD1 3.95Å; E110-L166 HydrophobicContact CB-CD1 3.93Å; E110-L166 HydrophobicContact CG-CB 4.23Å; E110-L166 HydrophobicContact CG-CD1 4.09Å; S113-L166 PolarHBondContact O-N 3.18Å; L166-L171 VanDerWaalsContact O-CD1 3.28Å; L166-L171 WeakPolarHBondContact O-CD1 3.23Å; L166-Y267 HydrophobicContact CB-CE2 4.44Å; L166-Y267 HydrophobicContact CD2-CE2 3.94Å; L166-Y267 HydrophobicContact CG-CD2 4.27Å; L166-Y267 HydrophobicContact CG-CE2 3.83Å; L166-L271 HydrophobicContact CD1-CD2 4.01Å; L166-L271 HydrophobicContact CG-CD2 4.26Å; L166-I275 HydrophobicContact CD2-CD1 3.78Å; L166-I284 HydrophobicContact CD1-CG2 4.3Å; L166-I284 HydrophobicContact CD2-CG2 4.05Å; L166-T286 HydrophobicContact CB-CG2 4.19Å; L166-T286 HydrophobicContact CD2-CG2 4.35Å
167G94.6Very high93.9Very high0 Ų013.9 Ų13.90%08%0.078CC..THydrogen-bonded Turntrans105.1-16.7-17000000114.5G45 V165G45-G167 VanDerWaalsContact O-CA 3.24Å; G45-G167 WeakPolarHBondContact O-CA 2.91Å; G45-G167 PolarHBondContact O-N 3.01Å; V165-G167 PolarHBondContact O-N 2.8Å; V165-G167 VanDerWaalsContact O-N 3.13Å
168G95Very high93.7Very high4 Ų413.9 Ų13.94%0.0418%0.078CC..G310 helixtrans58.5-151.3171.700000114.2V165 A170 L171V165-G168 WeakPolarHBondContact O-CA 3.46Å; V165-G168 PolarHBondContact O-N 3.27Å; G168-A170 PolarHBondContact O-N 3.41Å; G168-L171 PolarHBondContact O-N 3.03Å; G168-L171 VanDerWaalsContact O-N 3.09Å
169T95Very high93.4Very high47 Ų4715.1 Ų15.129%0.2888%0.083SC..G310 helixtrans-60.9-18.6-174.2-51.20000113.9G163 L171 L172 N173G163-T169 PolarHBondContact N-OG1 3.29Å; G163-T169 VanDerWaalsContact N-OG1 3.09Å; T169-L171 PolarHBondContact O-N 3.04Å; T169-L171 VanDerWaalsContact O-N 3.13Å; T169-L172 PolarHBondContact O-N 2.02Å; T169-N173 HydrophobicContact CG2-CB 4.44Å; T169-N173 WeakPolarHBondContact O-CB 3.48Å; T169-N173 PolarHBondContact O-N 2.86Å
170A94.6Very high93.3Very high1 Ų113.7 Ų13.71%0.0088%0.076CC..G310 helixtrans-61.5-20.617500000113.5T47 G168 R263T47-A170 HydrophobicContact CG2-CB 4.46Å; G168-A170 PolarHBondContact O-N 3.41Å; A170-R263 PolarHBondContact O-NH1 3.3Å; A170-R263 VanDerWaalsContact O-NH1 3.1Å
171L93.4Very high93.3Very high0 Ų013.9 Ų13.90%08%0.076CC..G310 helixtrans-84.2-9.7175.1-62.1177000113.7I115 K120 S123 V165 L166 G168 T169 Y267I115-L171 HydrophobicContact CD1-CD1 3.81Å; K120-L171 HydrophobicContact CD-CD2 4.44Å; S123-L171 PolarHBondContact OG-O 2.83Å; V165-L171 HydrophobicContact CG1-CD1 4.03Å; L166-L171 VanDerWaalsContact O-CD1 3.28Å; L166-L171 WeakPolarHBondContact O-CD1 3.23Å; G168-L171 PolarHBondContact O-N 3.03Å; G168-L171 VanDerWaalsContact O-N 3.09Å; T169-L171 PolarHBondContact O-N 3.04Å; T169-L171 VanDerWaalsContact O-N 3.13Å; L171-Y267 HydrophobicContact CD1-CD1 4.3Å; L171-Y267 HydrophobicContact CD1-CG 4.47Å; L171-Y267 HydrophobicContact CD2-CD1 4.03Å
172L89.9Confident93.1Very high3 Ų315.9 Ų15.92%0.0169%0.089CC..THydrogen-bonded Turntrans-119.3-28.1-175.5-73.8169.1000113.6L132 Y133 I137 D138 T169L132-L172 HydrophobicContact CB-CD2 3.63Å; L132-L172 HydrophobicContact CD1-CD2 4.49Å; Y133-L172 HydrophobicContact CE1-CB 4.41Å; Y133-L172 PolarHBondContact OH-O 2.87Å; I137-L172 HydrophobicContact CD1-CD1 4.33Å; I137-L172 HydrophobicContact CD1-CD2 3.43Å; I137-L172 VanDerWaalsContact CD1-CD2 3.43Å; I137-L172 HydrophobicContact CD1-CG 3.89Å; I137-L172 HydrophobicContact CG1-CD1 4.29Å; I137-L172 HydrophobicContact CG1-CD2 3.87Å; I137-L172 HydrophobicContact CG1-CG 4.35Å; D138-L172 HydrophobicContact CB-CD1 3.81Å; T169-L172 PolarHBondContact O-N 2.02Å
173N91.7Very high93Very high27 Ų2717.5 Ų17.514%0.14410%0.101CC..SBendtrans-60.3169.1-170.472.615.5000114.3T169 M175 R263T169-N173 HydrophobicContact CG2-CB 4.44Å; T169-N173 WeakPolarHBondContact O-CB 3.48Å; T169-N173 PolarHBondContact O-N 2.86Å; N173-M175 PolarHBondContact O-N 3.48Å; N173-M175 VanDerWaalsContact O-N 3.08Å; N173-M175 WeakPolarHBondContact OD1-CA 3.49Å; N173-M175 PolarHBondContact OD1-N 2.82Å; N173-R263 VanDerWaalsContact O-CZ 3.31Å; N173-R263 PolarHBondContact O-NH1 3.26Å; N173-R263 PolarHBondContact O-NH2 3.04Å; N173-R263 PolarHBondContact OD1-NH1 2.93Å
174A90.3Very high92.9Very high38 Ų3817.4 Ų17.431%0.31410%0.1SC..  trans-72.96.6177.200000115.1I176 S422A174-I176 HydrophobicContact CB-CD1 4.19Å; A174-I176 HydrophobicContact CB-CG1 4.2Å; A174-I176 PolarHBondContact O-N 3.11Å; A174-S422 WeakPolarHBondContact CA-OG 3.31Å
175M94Very high92.5Very high0 Ų017.5 Ų17.50%010%0.1CC..  trans62.16.5-179.8-56.5153.8-74.800115.5P126 N173 F177 V256 F257 V258 R263 A421 S422P126-M175 HydrophobicContact CB-CE 3.79Å; P126-M175 HydrophobicContact CB-SD 3.67Å; P126-M175 HydrophobicContact CG-SD 4.24Å; P126-M175 WeakPolarHBondContact O-CE 3.32Å; N173-M175 PolarHBondContact O-N 3.48Å; N173-M175 VanDerWaalsContact O-N 3.08Å; N173-M175 WeakPolarHBondContact OD1-CA 3.49Å; N173-M175 PolarHBondContact OD1-N 2.82Å; M175-F177 PolarHBondContact O-N 3.3Å; M175-V256 HydrophobicContact CB-CB 4.37Å; M175-V256 CarbonylContact O-C 3.58Å; M175-V256 WeakPolarHBondContact O-CA 3.42Å; M175-V256 WeakPolarHBondContact O-CB 3.04Å; M175-F257 HydrophobicContact CB-CB 4.37Å; M175-F257 PolarHBondContact O-N 2.55Å; M175-V258 HydrophobicContact CB-CG2 4.39Å; M175-V258 HydrophobicContact CG-CG2 4.43Å; M175-V258 HydrophobicContact SD-CG2 3.62Å; M175-R263 HydrophobicContact CG-CG 4.2Å; M175-R263 HydrophobicContact SD-CB 4.07Å; M175-R263 HydrophobicContact SD-CG 4.27Å; M175-R263 PolarHBondContact SD-NH2 2.85Å; M175-R263 VanDerWaalsContact SD-NH2 3.44Å; M175-A421 HydrophobicContact CE-CB 3.85Å; M175-A421 HydrophobicContact SD-CB 4.32Å; M175-S422 WeakPolarHBondContact CE-OG 3.36Å
176I94Very high91.9Very high11 Ų1117.5 Ų17.56%0.05610%0.1CC..EExtended strand (participates in β ladder)trans-64.6129-178.1-60170.7000110.1A174 L424 I427 T448 N659A174-I176 HydrophobicContact CB-CD1 4.19Å; A174-I176 HydrophobicContact CB-CG1 4.2Å; A174-I176 PolarHBondContact O-N 3.11Å; I176-L424 HydrophobicContact CD1-CD1 3.96Å; I176-L424 HydrophobicContact CD1-CD2 4.1Å; I176-L424 HydrophobicContact CG1-CD1 3.49Å; I176-L424 VanDerWaalsContact CG1-CD1 3.49Å; I176-I427 HydrophobicContact CD1-CD1 4.19Å; I176-I427 HydrophobicContact CG2-CD1 3.69Å; I176-T448 HydrophobicContact CD1-CG2 4.16Å; I176-N659 HydrophobicContact CB-CB 4.31Å; I176-N659 HydrophobicContact CG2-CB 4.09Å; I176-N659 WeakPolarHBondContact CG2-OD1 3.37Å
177F94.2Very high91.3Very high7 Ų717.3 Ų17.33%0.03110%0.099CC..EExtended strand (participates in β ladder)trans-99.5133.6170177.2-93.3000110.1M175 Y179 F202 P212 M255 F257M175-F177 PolarHBondContact O-N 3.3Å; F177-Y179 HydrophobicContact CE1-CD1 4.22Å; F177-Y179 AromaticContact CE1-CD2 3.93Å; F177-Y179 HydrophobicContact CE1-CD2 3.93Å; F177-Y179 HydrophobicContact CE1-CE1 4.1Å; F177-Y179 AromaticContact CE1-CE2 3.78Å; F177-Y179 HydrophobicContact CE1-CE2 3.78Å; F177-Y179 HydrophobicContact CE1-CG 4.16Å; F177-Y179 AromaticContact CE1-CZ 3.88Å; F177-Y179 HydrophobicContact CE2-CE1 4.15Å; F177-Y179 AromaticContact CZ-CD1 3.72Å; F177-Y179 HydrophobicContact CZ-CD1 3.72Å; F177-Y179 HydrophobicContact CZ-CD2 4.14Å; F177-Y179 AromaticContact CZ-CE1 3.32Å; F177-Y179 HydrophobicContact CZ-CE1 3.32Å; F177-Y179 AromaticContact CZ-CE2 3.78Å; F177-Y179 HydrophobicContact CZ-CE2 3.78Å; F177-Y179 HydrophobicContact CZ-CG 4.12Å; F177-Y179 AromaticContact CZ-CZ 3.36Å; F177-F202 HydrophobicContact CE2-CD1 4.13Å; F177-F202 HydrophobicContact CE2-CD2 4.2Å; F177-F202 AromaticContact CE2-CE1 3.91Å; F177-F202 HydrophobicContact CE2-CE1 3.91Å; F177-F202 AromaticContact CE2-CE2 3.98Å; F177-F202 HydrophobicContact CE2-CE2 3.98Å; F177-F202 HydrophobicContact CE2-CG 4.28Å; F177-F202 AromaticContact CE2-CZ 3.84Å; F177-F202 HydrophobicContact CE2-CZ 3.84Å; F177-F202 HydrophobicContact CZ-CD2 4.39Å; F177-F202 HydrophobicContact CZ-CE2 4.44Å; F177-P212 HydrophobicContact CB-CB 3.85Å; F177-P212 HydrophobicContact CB-CG 4.46Å; F177-P212 HydrophobicContact CD1-CB 4.05Å; F177-P212 HydrophobicContact CD1-CG 3.75Å; F177-P212 HydrophobicContact CD2-CB 3.83Å; F177-P212 HydrophobicContact CD2-CG 3.75Å; F177-P212 HydrophobicContact CE1-CG 3.72Å; F177-P212 HydrophobicContact CE2-CB 4.33Å; F177-P212 HydrophobicContact CE2-CG 3.75Å; F177-P212 HydrophobicContact CG-CB 3.64Å; F177-P212 HydrophobicContact CG-CG 3.72Å; F177-P212 HydrophobicContact CZ-CG 3.69Å; F177-M255 HydrophobicContact CB-CB 3.89Å; F177-M255 WeakPolarHBondContact CB-O 3.27Å; F177-M255 HydrophobicContact CD1-CB 3.67Å; F177-M255 HydrophobicContact CD1-CG 4.37Å; F177-M255 HydrophobicContact CG-CB 4.18Å; F177-M255 PolarHBondContact N-O 3.12Å; F177-F257 HydrophobicContact CB-CE2 4.35Å; F177-F257 AromaticContact CD2-CE1 3.8Å; F177-F257 HydrophobicContact CD2-CE1 3.8Å; F177-F257 HydrophobicContact CD2-CE2 4.04Å; F177-F257 AromaticContact CD2-CZ 3.49Å; F177-F257 HydrophobicContact CD2-CZ 3.49Å; F177-F257 VanDerWaalsContact CD2-CZ 3.49Å; F177-F257 HydrophobicContact CE2-CE1 4.38Å; F177-F257 HydrophobicContact CE2-CZ 4.18Å
178S93.1Very high90.3Very high1 Ų122.2 Ų22.21%0.00712%0.122CC..  trans-145.6145.5169.7173.30000108.5G180 G245 S247 S662S178-G180 VanDerWaalsContact C-N 3.32Å; S178-G180 PolarHBondContact OG-N 2.93Å; S178-G245 CarbonylContact C-O 3.54Å; S178-G245 VanDerWaalsContact CA-O 3.32Å; S178-G245 WeakPolarHBondContact CA-O 3.33Å; S178-S247 PolarHBondContact OG-OG 2.9Å; S178-S662 WeakPolarHBondContact O-CB 3.46Å; S178-S662 PolarHBondContact O-OG 3.15Å
179Y90.8Very high89.4Confident28 Ų2823.5 Ų23.511%0.1113%0.127CC..  trans-86.3-7.9168.5-77.9-50.7000112.9F177 L198 F202 P244 G245 W246F177-Y179 HydrophobicContact CE1-CD1 4.22Å; F177-Y179 AromaticContact CE1-CD2 3.93Å; F177-Y179 HydrophobicContact CE1-CD2 3.93Å; F177-Y179 HydrophobicContact CE1-CE1 4.1Å; F177-Y179 AromaticContact CE1-CE2 3.78Å; F177-Y179 HydrophobicContact CE1-CE2 3.78Å; F177-Y179 HydrophobicContact CE1-CG 4.16Å; F177-Y179 AromaticContact CE1-CZ 3.88Å; F177-Y179 HydrophobicContact CE2-CE1 4.15Å; F177-Y179 AromaticContact CZ-CD1 3.72Å; F177-Y179 HydrophobicContact CZ-CD1 3.72Å; F177-Y179 HydrophobicContact CZ-CD2 4.14Å; F177-Y179 AromaticContact CZ-CE1 3.32Å; F177-Y179 HydrophobicContact CZ-CE1 3.32Å; F177-Y179 AromaticContact CZ-CE2 3.78Å; F177-Y179 HydrophobicContact CZ-CE2 3.78Å; F177-Y179 HydrophobicContact CZ-CG 4.12Å; F177-Y179 AromaticContact CZ-CZ 3.36Å; Y179-L198 HydrophobicContact CD1-CB 4.21Å; Y179-L198 HydrophobicContact CD1-CD1 3.49Å; Y179-L198 VanDerWaalsContact CD1-CD1 3.49Å; Y179-L198 HydrophobicContact CD1-CD2 3.77Å; Y179-L198 HydrophobicContact CD1-CG 4.01Å; Y179-L198 HydrophobicContact CE1-CB 3.76Å; Y179-L198 HydrophobicContact CE1-CD1 3.89Å; Y179-L198 HydrophobicContact CE1-CD2 3.98Å; Y179-L198 HydrophobicContact CE1-CG 4.08Å; Y179-L198 HydrophobicContact CG-CD1 4Å; Y179-F202 AromaticContact CE1-CD2 3.7Å; Y179-F202 HydrophobicContact CE1-CD2 3.7Å; Y179-F202 AromaticContact CE1-CE2 3.89Å; Y179-F202 HydrophobicContact CE1-CE2 3.89Å; Y179-P244 VanDerWaalsContact CD2-O 3.29Å; Y179-P244 WeakPolarHBondContact CD2-O 3.37Å; Y179-P244 WeakPolarHBondContact CE2-O 3.38Å; Y179-G245 PolarHBondContact N-O 2.9Å; Y179-W246 HydrophobicContact CD2-CD2 4.27Å; Y179-W246 HydrophobicContact CD2-CZ2 4.37Å; Y179-W246 HydrophobicContact CG-CD2 4.49Å; Y179-W246 HydrophobicContact CG-CZ2 4.45Å
180G92.3Very high88.4Confident0 Ų021.3 Ų21.30%011%0.113CC..BIsolated β-bridgetrans88.1-152.7-161.900000111.3S178 D184 S247 T657S178-G180 VanDerWaalsContact C-N 3.32Å; S178-G180 PolarHBondContact OG-N 2.93Å; G180-D184 VanDerWaalsContact CA-OD2 3.27Å; G180-D184 WeakPolarHBondContact CA-OD2 3.4Å; G180-S247 WeakPolarHBondContact O-CB 3.43Å; G180-S247 PolarHBondContact O-N 3.17Å; G180-S247 PolarHBondContact O-OG 2.99Å; G180-T657 CarbonylContact C-O 3.53Å; G180-T657 VanDerWaalsContact CA-O 3.24Å; G180-T657 WeakPolarHBondContact CA-O 3.44Å
181H92.8Very high86.9Confident11 Ų1123.9 Ų23.95%0.05113%0.127CC..  trans-115.4144.7169.9-173.6-87000109.1D183 D184 L187 S247 F248 S441 R442 T657H181-D183 IonicContact CE1-OD2 3.82Å; H181-D183 PolarHBondContact ND1-N 3.15Å; H181-D183 VanDerWaalsContact ND1-N 3.18Å; H181-D183 PolarHBondContact O-N 3.43Å; H181-D184 PolarHBondContact N-OD2 2.9Å; H181-D184 VanDerWaalsContact O-CB 3.23Å; H181-D184 WeakPolarHBondContact O-CB 3.49Å; H181-D184 VanDerWaalsContact O-CG 3.27Å; H181-D184 PolarHBondContact O-N 3.37Å; H181-L187 VanDerWaalsContact O-CD1 3.27Å; H181-L187 WeakPolarHBondContact O-CD1 3.05Å; H181-S247 PolarHBondContact CD2-O 3.29Å; H181-F248 AromaticContact CD2-CD1 3.79Å; H181-F248 AromaticContact NE2-CD1 3.61Å; H181-F248 AromaticContact NE2-CE1 3.75Å; H181-S441 PolarHBondContact CE1-OG 3.37Å; H181-R442 HydrophobicContact CB-CG 3.94Å; H181-R442 WeakPolarHBondContact ND1-CG 3.43Å; H181-T657 HydrophobicContact CB-CG2 4.02Å
182P89.5Confident85.4Confident51 Ų5131.8 Ų31.833%0.33116%0.163SC..THydrogen-bonded Turntrans-52.4-33.3-178.6-29.636.8000114.7D184 W246 F248P182-D184 PolarHBondContact O-N 3.2Å; P182-W246 HydrophobicContact CB-CZ3 4.47Å; P182-W246 HydrophobicContact CG-CD2 4.25Å; P182-W246 HydrophobicContact CG-CE3 3.84Å; P182-W246 HydrophobicContact CG-CH2 4.49Å; P182-W246 HydrophobicContact CG-CZ3 3.97Å; P182-F248 HydrophobicContact CG-CE1 3.86Å; P182-F248 HydrophobicContact CG-CZ 3.82Å
183D90.5Very high84Confident78 Ų7834.8 Ų34.842%0.41719%0.185SC..THydrogen-bonded Turntrans-85.413.7179.1-55.2-4.9000113.3H181 S441 R442H181-D183 IonicContact CE1-OD2 3.82Å; H181-D183 PolarHBondContact ND1-N 3.15Å; H181-D183 VanDerWaalsContact ND1-N 3.18Å; H181-D183 PolarHBondContact O-N 3.43Å; D183-S441 WeakPolarHBondContact OD2-CB 3.47Å; D183-S441 PolarHBondContact OD2-OG 3.3Å; D183-R442 HydrophobicContact CB-CG 4.36Å
184D90.6Very high82.9Confident2 Ų234.4 Ų34.41%0.01118%0.183CC..  trans-70.6127.7171.2-76-27.3000110.4G180 H181 P182 L186 L187 E188 R442 P656 T657G180-D184 VanDerWaalsContact CA-OD2 3.27Å; G180-D184 WeakPolarHBondContact CA-OD2 3.4Å; H181-D184 PolarHBondContact N-OD2 2.9Å; H181-D184 VanDerWaalsContact O-CB 3.23Å; H181-D184 WeakPolarHBondContact O-CB 3.49Å; H181-D184 VanDerWaalsContact O-CG 3.27Å; H181-D184 PolarHBondContact O-N 3.37Å; P182-D184 PolarHBondContact O-N 3.2Å; D184-L186 PolarHBondContact O-N 2.9Å; D184-L186 VanDerWaalsContact O-N 3.15Å; D184-L187 HydrophobicContact CB-CD1 4.3Å; D184-L187 HydrophobicContact CB-CG 4.33Å; D184-L187 WeakPolarHBondContact O-CA 3.29Å; D184-L187 WeakPolarHBondContact O-CB 3.37Å; D184-L187 PolarHBondContact O-N 2.86Å; D184-E188 PolarHBondContact O-N 3.44Å; D184-R442 WeakPolarHBondContact OD1-CD 3.47Å; D184-R442 IonicContact OD1-NH1 3.57Å; D184-P656 WeakPolarHBondContact OD2-CA 3.45Å; D184-T657 VanDerWaalsContact CG-N 3.32Å; D184-T657 WeakPolarHBondContact OD1-CB 3.09Å; D184-T657 PolarHBondContact OD1-N 2.8Å; D184-T657 PolarHBondContact OD1-OG1 3.25Å; D184-T657 PolarHBondContact OD2-N 3.46Å
185E86Confident81.9Confident54 Ų5441.5 Ų41.525%0.25221%0.209SC..Hα-helixtrans-55.9-36.8-177-69171.4-137.200112.5L187 E188 E189 K654E185-L187 VanDerWaalsContact C-N 3.26Å; E185-L187 PolarHBondContact O-N 2.78Å; E185-E188 WeakPolarHBondContact O-CB 3.45Å; E185-E188 PolarHBondContact O-N 3.21Å; E185-E188 VanDerWaalsContact O-N 3.15Å; E185-E189 VanDerWaalsContact O-CG 3.3Å; E185-E189 WeakPolarHBondContact O-CG 3.45Å; E185-E189 PolarHBondContact O-N 3.4Å; E185-K654 VanDerWaalsContact CD-CD 3.42Å; E185-K654 HydrophobicContact CG-CD 4.23Å; E185-K654 WeakPolarHBondContact OE1-CD 3.37Å; E185-K654 WeakPolarHBondContact OE1-CE 3.13Å; E185-K654 IonicContact OE1-NZ 3.11Å; E185-K654 PolarHBondContact OE1-NZ 3.22Å
186L83Confident81.2Confident1 Ų145.5 Ų45.51%0.00523%0.228CC..Hα-helixtrans-57.6-38.7174.7-175.475.2000112.6D184 E189 F190 I652 L663 I667D184-L186 PolarHBondContact O-N 2.9Å; D184-L186 VanDerWaalsContact O-N 3.15Å; L186-E189 WeakPolarHBondContact CD1-OE2 3.48Å; L186-E189 WeakPolarHBondContact O-CB 3.49Å; L186-E189 PolarHBondContact O-N 3.41Å; L186-F190 HydrophobicContact CD1-CD2 3.79Å; L186-F190 HydrophobicContact CD1-CE2 3.53Å; L186-F190 HydrophobicContact CG-CD2 4.02Å; L186-F190 HydrophobicContact CG-CE2 4.24Å; L186-F190 WeakPolarHBondContact O-CD2 3.08Å; L186-F190 PolarHBondContact O-N 3.08Å; L186-F190 VanDerWaalsContact O-N 3.08Å; L186-I652 HydrophobicContact CD1-CB 4.21Å; L186-I652 HydrophobicContact CD1-CG1 3.93Å; L186-I652 HydrophobicContact CD1-CG2 4.12Å; L186-I652 HydrophobicContact CD2-CD1 4.32Å; L186-I652 HydrophobicContact CD2-CG1 4.05Å; L186-I652 HydrophobicContact CD2-CG2 4.2Å; L186-L663 HydrophobicContact CD2-CB 3.99Å; L186-L663 HydrophobicContact CD2-CD1 4Å; L186-L663 HydrophobicContact CD2-CD2 4.24Å; L186-L663 HydrophobicContact CD2-CG 4.3Å; L186-I667 HydrophobicContact CD1-CD1 4.49Å
187L81.3Confident80.7Confident0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-70.9-40.7178.6-69.5178.1000110.1H181 D184 E185 E189 F190 L191 F197 L198 W246 L663H181-L187 VanDerWaalsContact O-CD1 3.27Å; H181-L187 WeakPolarHBondContact O-CD1 3.05Å; D184-L187 HydrophobicContact CB-CD1 4.3Å; D184-L187 HydrophobicContact CB-CG 4.33Å; D184-L187 WeakPolarHBondContact O-CA 3.29Å; D184-L187 WeakPolarHBondContact O-CB 3.37Å; D184-L187 PolarHBondContact O-N 2.86Å; E185-L187 VanDerWaalsContact C-N 3.26Å; E185-L187 PolarHBondContact O-N 2.78Å; L187-E189 VanDerWaalsContact C-N 3.28Å; L187-E189 PolarHBondContact O-N 2.96Å; L187-F190 PolarHBondContact O-N 2.73Å; L187-L191 HydrophobicContact CB-CD1 3.82Å; L187-L191 HydrophobicContact CB-CG 4.38Å; L187-L191 HydrophobicContact CD2-CD1 4.39Å; L187-L191 WeakPolarHBondContact O-CA 3.48Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 3.34Å; L187-F197 HydrophobicContact CD2-CD1 4.41Å; L187-F197 HydrophobicContact CD2-CE1 4.43Å; L187-L198 HydrophobicContact CD2-CD1 4.03Å; L187-L198 HydrophobicContact CD2-CD2 4.5Å; L187-L198 HydrophobicContact CD2-CG 4.45Å; L187-W246 HydrophobicContact CD1-CH2 3.85Å; L187-W246 HydrophobicContact CD1-CZ3 3.48Å; L187-W246 VanDerWaalsContact CD1-CZ3 3.48Å; L187-L663 HydrophobicContact CD2-CD2 3.77Å
188E75.2Confident80.2Confident102 Ų10245.2 Ų45.248%0.47723%0.227SC..Hα-helixtrans-58.7-42.5170.8-64.5-174.1168.400111.2D184 E185 F190 H192D184-E188 PolarHBondContact O-N 3.44Å; E185-E188 WeakPolarHBondContact O-CB 3.45Å; E185-E188 PolarHBondContact O-N 3.21Å; E185-E188 VanDerWaalsContact O-N 3.15Å; E188-F190 PolarHBondContact O-N 3.26Å; E188-H192 VanDerWaalsContact O-CB 3.31Å; E188-H192 WeakPolarHBondContact O-CB 3.29Å; E188-H192 VanDerWaalsContact O-CG 3.24Å; E188-H192 PolarHBondContact O-N 3.15Å; E188-H192 PolarHBondContact O-ND1 3.37Å
189E74.4Confident79.7Confident31 Ų3146.9 Ų46.915%0.14524%0.238CC..Hα-helixtrans-57.4-48.6178.7-71.7169.1178.800112.5E185 L186 L187 M621 L623 S653E185-E189 VanDerWaalsContact O-CG 3.3Å; E185-E189 WeakPolarHBondContact O-CG 3.45Å; E185-E189 PolarHBondContact O-N 3.4Å; L186-E189 WeakPolarHBondContact CD1-OE2 3.48Å; L186-E189 WeakPolarHBondContact O-CB 3.49Å; L186-E189 PolarHBondContact O-N 3.41Å; L187-E189 VanDerWaalsContact C-N 3.28Å; L187-E189 PolarHBondContact O-N 2.96Å; E189-M621 HydrophobicContact CB-CE 3.57Å; E189-M621 HydrophobicContact CG-CE 3.93Å; E189-M621 WeakPolarHBondContact OE2-CE 3.21Å; E189-L623 WeakPolarHBondContact OE1-CD2 3.1Å; E189-S653 WeakPolarHBondContact OE1-CB 3.18Å; E189-S653 PolarHBondContact OE1-OG 3.2Å
190F75Confident79.3Confident1 Ų146.9 Ų46.90%0.00424%0.24CC..Hα-helixtrans-89.5-37.1-175.5-75.6-71.4000113.8L186 L187 E188 H192 S193 N194 F197 M621 L636 I667 Q670L186-F190 HydrophobicContact CD1-CD2 3.79Å; L186-F190 HydrophobicContact CD1-CE2 3.53Å; L186-F190 HydrophobicContact CG-CD2 4.02Å; L186-F190 HydrophobicContact CG-CE2 4.24Å; L186-F190 WeakPolarHBondContact O-CD2 3.08Å; L186-F190 PolarHBondContact O-N 3.08Å; L186-F190 VanDerWaalsContact O-N 3.08Å; L187-F190 PolarHBondContact O-N 2.73Å; E188-F190 PolarHBondContact O-N 3.26Å; F190-H192 PolarHBondContact O-N 2.99Å; F190-S193 PolarHBondContact O-N 3Å; F190-S193 VanDerWaalsContact O-N 3.1Å; F190-S193 PolarHBondContact O-OG 2.85Å; F190-N194 PolarHBondContact O-N 3.1Å; F190-F197 HydrophobicContact CB-CD1 3.82Å; F190-F197 HydrophobicContact CB-CD2 3.87Å; F190-F197 HydrophobicContact CB-CE1 3.83Å; F190-F197 HydrophobicContact CB-CE2 3.87Å; F190-F197 HydrophobicContact CB-CG 3.84Å; F190-F197 HydrophobicContact CB-CZ 3.85Å; F190-F197 HydrophobicContact CD1-CD2 4.42Å; F190-F197 AromaticContact CD1-CE2 3.96Å; F190-F197 HydrophobicContact CD1-CE2 3.96Å; F190-F197 HydrophobicContact CD1-CZ 4.33Å; F190-F197 HydrophobicContact CD2-CE1 4.31Å; F190-F197 HydrophobicContact CD2-CE2 4.35Å; F190-F197 AromaticContact CD2-CZ 3.89Å; F190-F197 HydrophobicContact CD2-CZ 3.89Å; F190-F197 HydrophobicContact CG-CD2 4.26Å; F190-F197 HydrophobicContact CG-CE1 4.19Å; F190-F197 AromaticContact CG-CE2 3.79Å; F190-F197 HydrophobicContact CG-CE2 3.79Å; F190-F197 AromaticContact CG-CZ 3.76Å; F190-F197 HydrophobicContact CG-CZ 3.76Å; F190-M621 HydrophobicContact CD2-CE 4.3Å; F190-M621 HydrophobicContact CE1-CE 4.32Å; F190-M621 HydrophobicContact CE1-SD 4.44Å; F190-M621 HydrophobicContact CE2-CE 3.7Å; F190-M621 HydrophobicContact CZ-CE 3.73Å; F190-M621 HydrophobicContact CZ-SD 4.06Å; F190-L636 HydrophobicContact CE1-CD1 4.43Å; F190-L636 HydrophobicContact CE1-CD2 4.49Å; F190-L636 HydrophobicContact CZ-CD1 4.5Å; F190-L636 HydrophobicContact CZ-CD2 4.09Å; F190-I667 HydrophobicContact CE2-CD1 4.38Å; F190-I667 HydrophobicContact CE2-CG1 3.89Å; F190-I667 HydrophobicContact CZ-CG1 4Å; F190-Q670 HydrophobicContact CD1-CG 3.83Å; F190-Q670 HydrophobicContact CE1-CB 4.48Å; F190-Q670 HydrophobicContact CE1-CG 3.97Å
191L62.3Low79Confident55 Ų5547 Ų4729%0.28824%0.24SC..Hα-helixtrans-68.8-32.4-179.8-65.9171.6000112.1L187 S193 N194 E195 F197L187-L191 HydrophobicContact CB-CD1 3.82Å; L187-L191 HydrophobicContact CB-CG 4.38Å; L187-L191 HydrophobicContact CD2-CD1 4.39Å; L187-L191 WeakPolarHBondContact O-CA 3.48Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 3.34Å; L191-S193 PolarHBondContact O-N 2.87Å; L191-N194 CarbonylContact O-C 3.58Å; L191-N194 PolarHBondContact O-N 2.89Å; L191-N194 VanDerWaalsContact O-N 3.15Å; L191-E195 PolarHBondContact O-N 3Å; L191-F197 HydrophobicContact CD2-CB 3.84Å
192H62.9Low78.7Confident166 Ų16646.7 Ų46.777%0.76924%0.239SC*.THydrogen-bonded Turntrans-57.8-30.6171.6-81.9126.3000112.3E188 F190E188-H192 VanDerWaalsContact O-CB 3.31Å; E188-H192 WeakPolarHBondContact O-CB 3.29Å; E188-H192 VanDerWaalsContact O-CG 3.24Å; E188-H192 PolarHBondContact O-N 3.15Å; E188-H192 PolarHBondContact O-ND1 3.37Å; F190-H192 PolarHBondContact O-N 2.99Å
193S61Low78.5Confident67 Ų6748.9 Ų48.947%0.46925%0.248SC..THydrogen-bonded Turntrans-92.3-22177.9750000113.9F190 L191 Y674F190-S193 PolarHBondContact O-N 3Å; F190-S193 VanDerWaalsContact O-N 3.1Å; F190-S193 PolarHBondContact O-OG 2.85Å; L191-S193 PolarHBondContact O-N 2.87Å; S193-Y674 PolarHBondContact OG-OH 3.4Å; S193-Y674 VanDerWaalsContact OG-OH 3.13Å
194N68Low78Confident19 Ų1950.3 Ų50.310%0.10225%0.25CS..  trans-157.794.2-173-178.712.3000110.7F190 L191 E196 F197 Q670 K673F190-N194 PolarHBondContact O-N 3.1Å; L191-N194 CarbonylContact O-C 3.58Å; L191-N194 PolarHBondContact O-N 2.89Å; L191-N194 VanDerWaalsContact O-N 3.15Å; N194-E196 PolarHBondContact O-N 3.33Å; N194-E196 PolarHBondContact OD1-N 3.14Å; N194-E196 VanDerWaalsContact OD1-N 3.12Å; N194-F197 HydrophobicContact CB-CB 4.36Å; N194-F197 VanDerWaalsContact O-CB 3.26Å; N194-F197 WeakPolarHBondContact O-CB 3.38Å; N194-F197 PolarHBondContact O-N 2.84Å; N194-F197 PolarHBondContact OD1-N 3Å; N194-Q670 PolarHBondContact ND2-OE1 3.33Å; N194-K673 PolarHBondContact ND2-NZ 3.13Å
195E68.2Low77.8Confident186 Ų18651 Ų5187%0.86925%0.254SS*.THydrogen-bonded Turntrans-55.9-24176.3-65.1-176173.700112.9L191L191-E195 PolarHBondContact O-N 3Å
196E79.4Confident77.7Confident84 Ų8454.6 Ų54.639%0.39327%0.27SS..THydrogen-bonded Turntrans-93.27.5178.7-56.5-163.816100114N194 L198 S199 E200 K204N194-E196 PolarHBondContact O-N 3.33Å; N194-E196 PolarHBondContact OD1-N 3.14Å; N194-E196 VanDerWaalsContact OD1-N 3.12Å; E196-L198 CarbonylContact O-C 3.16Å; E196-L198 PolarHBondContact O-N 3.28Å; E196-S199 PolarHBondContact O-N 3.23Å; E196-S199 PolarHBondContact O-OG 3.08Å; E196-E200 HydrophobicContact CB-CB 4.33Å; E196-E200 WeakPolarHBondContact O-CB 3.35Å; E196-E200 PolarHBondContact O-N 2.91Å; E196-K204 IonicContact OE1-NZ 3.92Å; E196-K204 PolarHBondContact OE1-NZ 2.9Å; E196-K204 IonicContact OE2-NZ 3.88Å; E196-K204 PolarHBondContact OE2-NZ 3.44Å
197F83.6Confident77.7Confident0 Ų056.8 Ų56.80%029%0.293CS..THydrogen-bonded Turntrans-41.4-46.4-172.1173.8-119.8000114.4L187 F190 L191 N194 L663 A666 I667 Q670L187-F197 HydrophobicContact CD2-CD1 4.41Å; L187-F197 HydrophobicContact CD2-CE1 4.43Å; F190-F197 HydrophobicContact CB-CD1 3.82Å; F190-F197 HydrophobicContact CB-CD2 3.87Å; F190-F197 HydrophobicContact CB-CE1 3.83Å; F190-F197 HydrophobicContact CB-CE2 3.87Å; F190-F197 HydrophobicContact CB-CG 3.84Å; F190-F197 HydrophobicContact CB-CZ 3.85Å; F190-F197 HydrophobicContact CD1-CD2 4.42Å; F190-F197 AromaticContact CD1-CE2 3.96Å; F190-F197 HydrophobicContact CD1-CE2 3.96Å; F190-F197 HydrophobicContact CD1-CZ 4.33Å; F190-F197 HydrophobicContact CD2-CE1 4.31Å; F190-F197 HydrophobicContact CD2-CE2 4.35Å; F190-F197 AromaticContact CD2-CZ 3.89Å; F190-F197 HydrophobicContact CD2-CZ 3.89Å; F190-F197 HydrophobicContact CG-CD2 4.26Å; F190-F197 HydrophobicContact CG-CE1 4.19Å; F190-F197 AromaticContact CG-CE2 3.79Å; F190-F197 HydrophobicContact CG-CE2 3.79Å; F190-F197 AromaticContact CG-CZ 3.76Å; F190-F197 HydrophobicContact CG-CZ 3.76Å; L191-F197 HydrophobicContact CD2-CB 3.84Å; N194-F197 HydrophobicContact CB-CB 4.36Å; N194-F197 VanDerWaalsContact O-CB 3.26Å; N194-F197 WeakPolarHBondContact O-CB 3.38Å; N194-F197 PolarHBondContact O-N 2.84Å; N194-F197 PolarHBondContact OD1-N 3Å; F197-L663 HydrophobicContact CE1-CD2 4.1Å; F197-A666 HydrophobicContact CD1-CB 4.42Å; F197-A666 HydrophobicContact CD2-CB 4.33Å; F197-A666 HydrophobicContact CE1-CB 3.79Å; F197-A666 HydrophobicContact CE2-CB 3.69Å; F197-A666 WeakPolarHBondContact CE2-O 3.43Å; F197-A666 HydrophobicContact CZ-CB 3.39Å; F197-I667 HydrophobicContact CZ-CG1 4.35Å; F197-Q670 HydrophobicContact CD2-CB 4.13Å; F197-Q670 HydrophobicContact CD2-CG 4.35Å; F197-Q670 HydrophobicContact CE2-CB 3.81Å; F197-Q670 HydrophobicContact CE2-CG 4.28Å
198L84.3Confident78.1Confident13 Ų1357 Ų577%0.06829%0.294CS..THydrogen-bonded Turntrans-82.2-51.6178.7-64.2173.4000112.4Y179 L187 E196 E200 L201 F202 W246 L663 A666Y179-L198 HydrophobicContact CD1-CB 4.21Å; Y179-L198 HydrophobicContact CD1-CD1 3.49Å; Y179-L198 VanDerWaalsContact CD1-CD1 3.49Å; Y179-L198 HydrophobicContact CD1-CD2 3.77Å; Y179-L198 HydrophobicContact CD1-CG 4.01Å; Y179-L198 HydrophobicContact CE1-CB 3.76Å; Y179-L198 HydrophobicContact CE1-CD1 3.89Å; Y179-L198 HydrophobicContact CE1-CD2 3.98Å; Y179-L198 HydrophobicContact CE1-CG 4.08Å; Y179-L198 HydrophobicContact CG-CD1 4Å; L187-L198 HydrophobicContact CD2-CD1 4.03Å; L187-L198 HydrophobicContact CD2-CD2 4.5Å; L187-L198 HydrophobicContact CD2-CG 4.45Å; E196-L198 CarbonylContact O-C 3.16Å; E196-L198 PolarHBondContact O-N 3.28Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 3.24Å; L198-L201 PolarHBondContact O-N 2.76Å; L198-F202 HydrophobicContact CD2-CE2 4.41Å; L198-F202 VanDerWaalsContact O-CD2 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.23Å; L198-F202 PolarHBondContact O-N 3.18Å; L198-F202 VanDerWaalsContact O-N 3.15Å; L198-W246 HydrophobicContact CD1-CH2 3.9Å; L198-W246 HydrophobicContact CD1-CZ2 4.24Å; L198-L663 HydrophobicContact CD2-CD2 3.82Å; L198-A666 HydrophobicContact CD2-CB 4.36Å
199S83Confident78.8Confident35 Ų3554.8 Ų54.825%0.24529%0.29CS..Hα-helixtrans-63.2-32.3-174.670.80000113E196 L201 F202 D203 K204E196-S199 PolarHBondContact O-N 3.23Å; E196-S199 PolarHBondContact O-OG 3.08Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 3.48Å; S199-F202 PolarHBondContact O-N 2.83Å; S199-D203 WeakPolarHBondContact O-CA 3.25Å; S199-D203 WeakPolarHBondContact O-CB 3.36Å; S199-D203 PolarHBondContact O-N 2.84Å; S199-K204 PolarHBondContact O-N 2.85Å
200E82.7Confident79.7Confident29 Ų2953.3 Ų53.314%0.13628%0.283CS..Hα-helixtrans-65.3-35.4-179.6-166.2-171.1155.300111.4K55 E196 L198 K204 M205 K673K55-E200 IonicContact NZ-OE1 3.64Å; K55-E200 PolarHBondContact NZ-OE1 2.87Å; E196-E200 HydrophobicContact CB-CB 4.33Å; E196-E200 WeakPolarHBondContact O-CB 3.35Å; E196-E200 PolarHBondContact O-N 2.91Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 3.24Å; E200-K204 CarbonylContact O-C 3.33Å; E200-M205 WeakPolarHBondContact O-CA 3.46Å; E200-M205 WeakPolarHBondContact O-CB 3.42Å; E200-M205 PolarHBondContact O-N 2.86Å; E200-K673 WeakPolarHBondContact OE1-CD 3.18Å; E200-K673 IonicContact OE1-NZ 3.58Å; E200-K673 VanDerWaalsContact OE2-CD 3.23Å; E200-K673 WeakPolarHBondContact OE2-CD 3.12Å; E200-K673 WeakPolarHBondContact OE2-CE 3.27Å; E200-K673 IonicContact OE2-NZ 3.39Å; E200-K673 PolarHBondContact OE2-NZ 3.16Å
201L86.2Confident80.5Confident1 Ų158.7 Ų58.71%0.00531%0.307CS..Hα-helixtrans-75.9-51.4176.4176.260.9000111.6I51 L198 S199 M205 L210 M665 A666 N669I51-L201 HydrophobicContact CD1-CD1 4.3Å; I51-L201 HydrophobicContact CG2-CD1 4.43Å; L198-L201 PolarHBondContact O-N 2.76Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 3.48Å; L201-M205 HydrophobicContact CD1-SD 3.46Å; L201-M205 WeakPolarHBondContact CD1-SD 3.49Å; L201-M205 VanDerWaalsContact O-CB 3.31Å; L201-M205 WeakPolarHBondContact O-CB 3.36Å; L201-L210 HydrophobicContact CD1-CD1 3.99Å; L201-M665 VanDerWaalsContact CD2-C 3.46Å; L201-M665 HydrophobicContact CD2-CB 3.61Å; L201-A666 HydrophobicContact CD2-CB 4.05Å; L201-N669 HydrophobicContact CD1-CB 4.19Å
202F86.7Confident81.9Confident6 Ų656.7 Ų56.73%0.02630%0.297CS..Hα-helixtrans-86.6-24.9-167.7-62.6-63.7000114.1F177 Y179 L198 S199 L210 F257 M665F177-F202 HydrophobicContact CE2-CD1 4.13Å; F177-F202 HydrophobicContact CE2-CD2 4.2Å; F177-F202 AromaticContact CE2-CE1 3.91Å; F177-F202 HydrophobicContact CE2-CE1 3.91Å; F177-F202 AromaticContact CE2-CE2 3.98Å; F177-F202 HydrophobicContact CE2-CE2 3.98Å; F177-F202 HydrophobicContact CE2-CG 4.28Å; F177-F202 AromaticContact CE2-CZ 3.84Å; F177-F202 HydrophobicContact CE2-CZ 3.84Å; F177-F202 HydrophobicContact CZ-CD2 4.39Å; F177-F202 HydrophobicContact CZ-CE2 4.44Å; Y179-F202 AromaticContact CE1-CD2 3.7Å; Y179-F202 HydrophobicContact CE1-CD2 3.7Å; Y179-F202 AromaticContact CE1-CE2 3.89Å; Y179-F202 HydrophobicContact CE1-CE2 3.89Å; L198-F202 HydrophobicContact CD2-CE2 4.41Å; L198-F202 VanDerWaalsContact O-CD2 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.23Å; L198-F202 PolarHBondContact O-N 3.18Å; L198-F202 VanDerWaalsContact O-N 3.15Å; S199-F202 PolarHBondContact O-N 2.83Å; F202-L210 HydrophobicContact CD1-CB 3.96Å; F202-L210 HydrophobicContact CE1-CB 4.15Å; F202-F257 HydrophobicContact CD1-CE1 4.49Å; F202-F257 AromaticContact CE1-CE1 3.92Å; F202-F257 HydrophobicContact CE1-CE1 3.92Å; F202-F257 HydrophobicContact CE1-CZ 4.05Å; F202-M665 HydrophobicContact CE1-SD 4.5Å
203D83.9Confident83.2Confident97 Ų9751.8 Ų51.852%0.51927%0.274SS..THydrogen-bonded Turntrans-113.9-31.5-176.4-59-55.5000113.4S199S199-D203 WeakPolarHBondContact O-CA 3.25Å; S199-D203 WeakPolarHBondContact O-CB 3.36Å; S199-D203 PolarHBondContact O-N 2.84Å
204K81.5Confident84.6Confident108 Ų10850.7 Ų50.747%0.4727%0.27SS..SBendtrans-114.7-7-169.7-49.9-176.7-173.7-179.20115.5E196 S199 E200 E206E196-K204 IonicContact OE1-NZ 3.92Å; E196-K204 PolarHBondContact OE1-NZ 2.9Å; E196-K204 IonicContact OE2-NZ 3.88Å; E196-K204 PolarHBondContact OE2-NZ 3.44Å; S199-K204 PolarHBondContact O-N 2.85Å; E200-K204 CarbonylContact O-C 3.33Å; K204-E206 PolarHBondContact O-N 2.85Å
205M86.6Confident85.4Confident17 Ų1750.6 Ų50.68%0.08427%0.269CS..  trans-70.2109.1-174.7-168175.4179.500110.4I51 R54 K55 E200 L201 G207 C208I51-M205 HydrophobicContact CG2-CE 4.17Å; I51-M205 HydrophobicContact CG2-SD 4.48Å; R54-M205 HydrophobicContact CB-CE 4.28Å; R54-M205 HydrophobicContact CG-CE 3.95Å; K55-M205 HydrophobicContact CB-CE 3.97Å; K55-M205 HydrophobicContact CD-CE 4.13Å; E200-M205 WeakPolarHBondContact O-CA 3.46Å; E200-M205 WeakPolarHBondContact O-CB 3.42Å; E200-M205 PolarHBondContact O-N 2.86Å; L201-M205 HydrophobicContact CD1-SD 3.46Å; L201-M205 WeakPolarHBondContact CD1-SD 3.49Å; L201-M205 VanDerWaalsContact O-CB 3.31Å; L201-M205 WeakPolarHBondContact O-CB 3.36Å; M205-G207 PolarHBondContact O-N 2.95Å; M205-C208 HydrophobicContact CE-CB 4.2Å; M205-C208 HydrophobicContact CG-CB 4.31Å; M205-C208 HydrophobicContact SD-CB 4Å
206E82Confident85.9Confident128 Ų12849.2 Ų49.260%0.59826%0.256SS*.THydrogen-bonded Turntrans-64.7137.2176.7-82.7179.5-126.600111.6K62 K204 C208K62-E206 WeakPolarHBondContact CE-OE2 3.37Å; K62-E206 IonicContact NZ-OE1 3.01Å; K62-E206 PolarHBondContact NZ-OE1 2.95Å; K62-E206 IonicContact NZ-OE2 2.68Å; K62-E206 PolarHBondContact NZ-OE2 3.02Å; K204-E206 PolarHBondContact O-N 2.85Å; E206-C208 PolarHBondContact O-N 2.94Å; E206-C208 VanDerWaalsContact O-N 3.1Å
207G83.1Confident85.6Confident48 Ų4847.3 Ų47.350%0.49525%0.247SC..THydrogen-bonded Turntrans72.8-0.6171.600000115.8R54 M205R54-G207 PolarHBondContact NH1-O 2.75Å; R54-G207 PolarHBondContact NH2-O 3.28Å; M205-G207 PolarHBondContact O-N 2.95Å
208C90.4Very high85.2Confident3 Ų348.8 Ų48.82%0.0226%0.255CS..  trans-134.8116.7165.1-174.70000110R54 M205 E206 E269 C270R54-C208 HydrophobicContact CG-CB 4.4Å; M205-C208 HydrophobicContact CE-CB 4.2Å; M205-C208 HydrophobicContact CG-CB 4.31Å; M205-C208 HydrophobicContact SD-CB 4Å; E206-C208 PolarHBondContact O-N 2.94Å; E206-C208 VanDerWaalsContact O-N 3.1Å; C208-E269 VanDerWaalsContact SG-CB 3.53Å; C208-C270 HydrophobicContact CB-CB 3.76Å; C208-C270 WeakPolarHBondContact CB-SG 3.28Å; C208-C270 WeakPolarHBondContact SG-CA 3.3Å; C208-C270 WeakPolarHBondContact SG-CB 3.41Å; C208-C270 PolarHBondContact SG-N 2.93Å; C208-C270 CovalentContact SG-SG 2.02Å; C208-C270 PolarHBondContact SG-SG 3.04Å
209S90.7Very high84.7Confident56 Ų5652.5 Ų52.539%0.39228%0.28SS..  trans-109.293.2-176.8-174.70000111.6R259 E269S209-R259 PolarHBondContact O-NH1 3.22Å; S209-R259 PolarHBondContact O-NH2 3.35Å; S209-R259 PolarHBondContact OG-NH1 3.03Å; S209-R259 PolarHBondContact OG-NH2 2.89Å; S209-E269 WeakPolarHBondContact O-CG 3.4Å
210L92.8Very high84.1Confident0 Ų053 Ų530%028%0.277CS..  trans-97.315.1-179.5-68.8168.4000114.1I51 L201 F202 P212 F257 E269 M665I51-L210 HydrophobicContact CD1-CD1 3.9Å; I51-L210 HydrophobicContact CG1-CD1 4.27Å; L201-L210 HydrophobicContact CD1-CD1 3.99Å; F202-L210 HydrophobicContact CD1-CB 3.96Å; F202-L210 HydrophobicContact CE1-CB 4.15Å; L210-P212 WeakPolarHBondContact O-CD 3.45Å; L210-F257 WeakPolarHBondContact O-CE1 3.36Å; L210-E269 HydrophobicContact CD2-CB 4.03Å; L210-E269 HydrophobicContact CD2-CG 4.01Å; L210-E269 HydrophobicContact CG-CB 4.45Å; L210-M665 HydrophobicContact CD1-SD 4Å; L210-M665 HydrophobicContact CD2-SD 4.45Å
211K91.1Very high83.9Confident114 Ų11451.7 Ų51.750%0.49627%0.27SS..  trans-57.2121.7-179.3-171.6169.4-173.3162.70111.3R259K211-R259 PolarHBondContact O-NH2 3.49Å
212P91.8Very high83.7Confident13 Ų1357.2 Ų57.28%0.08430%0.296CS..  trans-77.7160.117934.9-38.8000111.6F177 L210 M255 V256F177-P212 HydrophobicContact CB-CB 3.85Å; F177-P212 HydrophobicContact CB-CG 4.46Å; F177-P212 HydrophobicContact CD1-CB 4.05Å; F177-P212 HydrophobicContact CD1-CG 3.75Å; F177-P212 HydrophobicContact CD2-CB 3.83Å; F177-P212 HydrophobicContact CD2-CG 3.75Å; F177-P212 HydrophobicContact CE1-CG 3.72Å; F177-P212 HydrophobicContact CE2-CB 4.33Å; F177-P212 HydrophobicContact CE2-CG 3.75Å; F177-P212 HydrophobicContact CG-CB 3.64Å; F177-P212 HydrophobicContact CG-CG 3.72Å; F177-P212 HydrophobicContact CZ-CG 3.69Å; L210-P212 WeakPolarHBondContact O-CD 3.45Å; P212-M255 HydrophobicContact CB-CB 4.36Å; P212-M255 HydrophobicContact CB-CE 4.17Å; P212-M255 HydrophobicContact CG-CE 3.99Å; P212-M255 WeakPolarHBondContact O-CE 3.25Å; P212-V256 WeakPolarHBondContact CA-O 2.97Å
213E90.7Very high83.5Confident63 Ų6358 Ų5829%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-124.9149.7175.2-65.6-175.7-162.100110.7M255 V256 R259E213-M255 CarbonylContact O-C 3.32Å; E213-M255 WeakPolarHBondContact O-CA 3.22Å; E213-V256 PolarHBondContact N-O 2.88Å; E213-V256 WeakPolarHBondContact O-CG2 3.45Å; E213-V256 PolarHBondContact O-N 2.73Å; E213-R259 WeakPolarHBondContact OE1-CG 3.39Å
214A89.2Confident83.7Confident45 Ų4553.5 Ų53.537%0.37228%0.276SS..EExtended strand (participates in β ladder)trans-65.4141.3170.600000109.7R216 I253 M255A214-R216 PolarHBondContact O-N 2.76Å; A214-I253 HydrophobicContact CB-CG2 4.4Å; A214-M255 VanDerWaalsContact CA-SD 3.55Å; A214-M255 HydrophobicContact CB-SD 3.75Å; A214-M255 PolarHBondContact N-SD 3.35Å; A214-M255 VanDerWaalsContact N-SD 3.39Å
215I85.9Confident84.1Confident16 Ų1649.3 Ų49.38%0.08226%0.258CS..  trans-59.4141.817561.1163.3000110.6I253 P254 V256 A421 L424 T425I215-I253 HydrophobicContact CD1-CG2 4.37Å; I215-I253 HydrophobicContact CG1-CG2 3.52Å; I215-P254 HydrophobicContact CD1-CG 3.61Å; I215-P254 HydrophobicContact CG1-CG 3.85Å; I215-P254 HydrophobicContact CG2-CG 4.12Å; I215-P254 PolarHBondContact N-O 2.67Å; I215-V256 HydrophobicContact CG2-CB 4.18Å; I215-V256 HydrophobicContact CG2-CG1 3.46Å; I215-V256 VanDerWaalsContact CG2-CG1 3.46Å; I215-V256 HydrophobicContact CG2-CG2 3.61Å; I215-A421 HydrophobicContact CG2-CB 4.45Å; I215-L424 HydrophobicContact CD1-CB 4.45Å; I215-L424 WeakPolarHBondContact CD1-O 3.36Å; I215-T425 WeakPolarHBondContact CD1-O 3.12Å
216R79.2Confident84.1Confident157 Ų15749.5 Ų49.559%0.59226%0.262SS*.  trans-90.1110.3171.4-65-177.8-175.2169.62.4108.6A214 L218 Q420A214-R216 PolarHBondContact O-N 2.76Å; R216-L218 PolarHBondContact O-N 3.19Å; R216-Q420 PolarHBondContact O-NE2 2.84Å; R216-Q420 PolarHBondContact O-OE1 2.92Å
217H73Confident84.5Confident44 Ų4443.5 Ų43.520%0.20424%0.235CC..  trans-65131.3174.2-65.3143.1000111N221 Q222 H225 T425H217-N221 HydrophobicContact CB-CB 4.37Å; H217-Q222 HydrophobicContact CB-CB 4.29Å; H217-H225 AromaticContact CE1-CD2 3.75Å; H217-H225 AromaticContact CE1-CG 3.5Å; H217-H225 VanDerWaalsContact CE1-CG 3.5Å; H217-H225 AromaticContact CE1-ND1 3.82Å; H217-H225 AromaticContact NE2-CG 3.98Å; H217-T425 PolarHBondContact NE2-O 2.86Å
218L75.5Confident84.9Confident32 Ų3241.3 Ų41.317%0.16821%0.211CC..  trans-78.1158.2160-66171.9000109.4R216 Y220 N221 Q222 Q420R216-L218 PolarHBondContact O-N 3.19Å; L218-Y220 HydrophobicContact CB-CD1 4.03Å; L218-Y220 HydrophobicContact CB-CE1 3.54Å; L218-Y220 HydrophobicContact CD1-CE1 3.76Å; L218-Y220 WeakPolarHBondContact CD1-OH 3.47Å; L218-Y220 HydrophobicContact CG-CE1 4.28Å; L218-Y220 PolarHBondContact O-N 2.97Å; L218-N221 WeakPolarHBondContact O-CA 3.38Å; L218-N221 WeakPolarHBondContact O-CB 3.49Å; L218-N221 PolarHBondContact O-N 3.1Å; L218-Q222 PolarHBondContact O-N 2.91Å; L218-Q420 HydrophobicContact CD1-CG 3.43Å; L218-Q420 VanDerWaalsContact CD1-CG 3.43Å; L218-Q420 HydrophobicContact CG-CG 4.09Å
219P72.2Confident84.9Confident91 Ų9141.9 Ų41.959%0.59122%0.216SC*.Hα-helixtrans-51.9-36.6-173.9-30.435.9000114.8Q222P219-Q222 WeakPolarHBondContact O-CB 3.48Å
220Y70.5Confident84.8Confident46 Ų4641.4 Ų41.418%0.1821%0.207CC..Hα-helixtrans-75.7-33.5177.558.4-92.9000113.3L218 Q222 L223 I224 T395 V397 L417L218-Y220 HydrophobicContact CB-CD1 4.03Å; L218-Y220 HydrophobicContact CB-CE1 3.54Å; L218-Y220 HydrophobicContact CD1-CE1 3.76Å; L218-Y220 WeakPolarHBondContact CD1-OH 3.47Å; L218-Y220 HydrophobicContact CG-CE1 4.28Å; L218-Y220 PolarHBondContact O-N 2.97Å; Y220-Q222 VanDerWaalsContact C-N 3.27Å; Y220-Q222 PolarHBondContact O-N 3.13Å; Y220-L223 PolarHBondContact O-N 2.94Å; Y220-I224 PolarHBondContact O-N 3.21Å; Y220-T395 WeakPolarHBondContact CB-OG1 3.16Å; Y220-V397 HydrophobicContact CE2-CG2 3.9Å; Y220-L417 WeakPolarHBondContact OH-CD1 3.26Å
221N79.5Confident84.6Confident0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-67.4-31.8173.6-74.6-8.6000111.6H217 L218 L223 I224 H225 Q420 T425 S451H217-N221 HydrophobicContact CB-CB 4.37Å; L218-N221 WeakPolarHBondContact O-CA 3.38Å; L218-N221 WeakPolarHBondContact O-CB 3.49Å; L218-N221 PolarHBondContact O-N 3.1Å; N221-L223 VanDerWaalsContact C-N 3.32Å; N221-L223 PolarHBondContact O-N 3.09Å; N221-I224 PolarHBondContact O-N 3.18Å; N221-H225 WeakPolarHBondContact O-CB 3.09Å; N221-H225 PolarHBondContact O-N 2.77Å; N221-Q420 PolarHBondContact ND2-OE1 3.38Å; N221-T425 HydrophobicContact CB-CG2 3.8Å; N221-S451 WeakPolarHBondContact OD1-CB 3.16Å; N221-S451 PolarHBondContact OD1-OG 2.91Å
222Q81.4Confident84.7Confident118 Ų11836 Ų3655%0.55118%0.184SC*.Hα-helixtrans-63.3-37.4176.6-166.9175.36.200111.9H217 L218 P219 Y220 A226H217-Q222 HydrophobicContact CB-CB 4.29Å; L218-Q222 PolarHBondContact O-N 2.91Å; P219-Q222 WeakPolarHBondContact O-CB 3.48Å; Y220-Q222 VanDerWaalsContact C-N 3.27Å; Y220-Q222 PolarHBondContact O-N 3.13Å; Q222-A226 WeakPolarHBondContact O-CB 3.29Å; Q222-A226 PolarHBondContact O-N 3.46Å
223L83.4Confident84.7Confident22 Ų2240.6 Ų40.612%0.11520%0.204CC..Hα-helixtrans-65.7-44.3176-65.1175.9000111.9Y220 N221 A226 Y227 I558 N559 I564Y220-L223 PolarHBondContact O-N 2.94Å; N221-L223 VanDerWaalsContact C-N 3.32Å; N221-L223 PolarHBondContact O-N 3.09Å; L223-A226 PolarHBondContact O-N 3.34Å; L223-Y227 PolarHBondContact O-N 3.4Å; L223-I558 HydrophobicContact CD2-CG2 3.52Å; L223-I558 VanDerWaalsContact CD2-O 3.31Å; L223-I558 WeakPolarHBondContact CD2-O 3.34Å; L223-N559 HydrophobicContact CD2-CB 4.01Å; L223-I564 HydrophobicContact CB-CD1 4.06Å; L223-I564 HydrophobicContact CB-CG2 4.44Å; L223-I564 HydrophobicContact CD1-CG2 4.27Å
224I87.5Confident84.4Confident2 Ų240.2 Ų40.21%0.0120%0.204CC..Hα-helixtrans-64.7-46.1177.4-65.3164.9000110.3Y220 N221 A226 Y227 F228 T396 T425 V449 S451 I487 I564 I566Y220-I224 PolarHBondContact O-N 3.21Å; N221-I224 PolarHBondContact O-N 3.18Å; I224-A226 VanDerWaalsContact C-N 3.31Å; I224-A226 PolarHBondContact O-N 3.11Å; I224-Y227 WeakPolarHBondContact O-CB 3.27Å; I224-Y227 PolarHBondContact O-N 3.1Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.04Å; I224-F228 WeakPolarHBondContact O-CD2 3.1Å; I224-F228 PolarHBondContact O-N 3.01Å; I224-F228 VanDerWaalsContact O-N 3.16Å; I224-T396 HydrophobicContact CD1-CG2 4.37Å; I224-T425 HydrophobicContact CB-CG2 4.39Å; I224-T425 HydrophobicContact CG2-CG2 4.25Å; I224-V449 HydrophobicContact CG2-CG1 3.77Å; I224-S451 VanDerWaalsContact CD1-CB 3.47Å; I224-I487 HydrophobicContact CD1-CG2 3.97Å; I224-I487 HydrophobicContact CG2-CD1 4.37Å; I224-I564 HydrophobicContact CG1-CD1 4.03Å; I224-I566 HydrophobicContact CG2-CD1 4.46Å
225H89Confident84.3Confident20 Ų2042 Ų429%0.09320%0.204CC..Hα-helixtrans-57.5-46.3175177.373.6000111.4H217 N221 Y227 F228 A229 S426H217-H225 AromaticContact CE1-CD2 3.75Å; H217-H225 AromaticContact CE1-CG 3.5Å; H217-H225 VanDerWaalsContact CE1-CG 3.5Å; H217-H225 AromaticContact CE1-ND1 3.82Å; H217-H225 AromaticContact NE2-CG 3.98Å; N221-H225 WeakPolarHBondContact O-CB 3.09Å; N221-H225 PolarHBondContact O-N 2.77Å; H225-Y227 VanDerWaalsContact C-N 3.34Å; H225-Y227 PolarHBondContact O-N 2.55Å; H225-F228 PolarHBondContact O-N 3.4Å; H225-A229 WeakPolarHBondContact O-CB 3.45Å; H225-A229 PolarHBondContact O-N 2.97Å; H225-S426 WeakPolarHBondContact CA-OG 3.47Å; H225-S426 PolarHBondContact ND1-OG 3.09Å
226A87.3Confident84.6Confident21 Ų2144.6 Ų44.617%0.17424%0.235CC..Hα-helixtrans-67-34-178.500000112.7Q222 L223 I224 A229 K230 I558Q222-A226 WeakPolarHBondContact O-CB 3.29Å; Q222-A226 PolarHBondContact O-N 3.46Å; L223-A226 PolarHBondContact O-N 3.34Å; I224-A226 VanDerWaalsContact C-N 3.31Å; I224-A226 PolarHBondContact O-N 3.11Å; A226-A229 PolarHBondContact O-N 3.15Å; A226-K230 PolarHBondContact O-N 3.18Å; A226-I558 HydrophobicContact CB-CB 4.33Å; A226-I558 HydrophobicContact CB-CD1 3.49Å; A226-I558 VanDerWaalsContact CB-CD1 3.49Å; A226-I558 HydrophobicContact CB-CG1 3.68Å; A226-I558 HydrophobicContact CB-CG2 3.84Å
227Y89.7Confident85.2Confident3 Ų338.3 Ų38.31%0.01221%0.213CC..Hα-helixtrans-58.5-51.6170.9178.8-79.6000111L223 I224 H225 K230 A231 M543 I546 N547 I564 I566L223-Y227 PolarHBondContact O-N 3.4Å; I224-Y227 WeakPolarHBondContact O-CB 3.27Å; I224-Y227 PolarHBondContact O-N 3.1Å; H225-Y227 VanDerWaalsContact C-N 3.34Å; H225-Y227 PolarHBondContact O-N 2.55Å; Y227-K230 PolarHBondContact O-N 3.36Å; Y227-A231 PolarHBondContact O-N 2.88Å; Y227-M543 HydrophobicContact CE1-CG 4.27Å; Y227-M543 PolarHBondContact OH-O 3.03Å; Y227-I546 HydrophobicContact CD1-CD1 4.33Å; Y227-I546 HydrophobicContact CD2-CG2 3.9Å; Y227-I546 HydrophobicContact CE1-CD1 3.86Å; Y227-I546 HydrophobicContact CE2-CB 4.14Å; Y227-I546 HydrophobicContact CE2-CG2 3.42Å; Y227-I546 VanDerWaalsContact CE2-CG2 3.42Å; Y227-N547 WeakPolarHBondContact CE2-OD1 3.35Å; Y227-N547 PolarHBondContact OH-OD1 2.73Å; Y227-I564 HydrophobicContact CD2-CG1 4.32Å; Y227-I566 HydrophobicContact CD1-CB 4.47Å; Y227-I566 HydrophobicContact CD1-CD1 3.52Å; Y227-I566 HydrophobicContact CD1-CG1 4.05Å; Y227-I566 HydrophobicContact CD2-CD1 4.21Å; Y227-I566 HydrophobicContact CD2-CG1 4.04Å; Y227-I566 HydrophobicContact CE1-CB 3.99Å; Y227-I566 HydrophobicContact CE1-CD1 3.91Å; Y227-I566 HydrophobicContact CE1-CG1 4.05Å; Y227-I566 HydrophobicContact CE2-CB 4.23Å; Y227-I566 HydrophobicContact CE2-CG1 4.02Å; Y227-I566 HydrophobicContact CG-CD1 3.7Å; Y227-I566 HydrophobicContact CG-CG1 4.05Å
228F91.8Very high86.2Confident1 Ų143.6 Ų43.60%0.00424%0.236CC..Hα-helixtrans-70-32.3178.4-76.6-73.8000112.6I224 H225 K230 A231 F232 L251 V449 I487 L489 I539 M543 I566I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.04Å; I224-F228 WeakPolarHBondContact O-CD2 3.1Å; I224-F228 PolarHBondContact O-N 3.01Å; I224-F228 VanDerWaalsContact O-N 3.16Å; H225-F228 PolarHBondContact O-N 3.4Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 3Å; F228-A231 WeakPolarHBondContact O-CA 3.43Å; F228-A231 WeakPolarHBondContact O-CB 3.46Å; F228-A231 PolarHBondContact O-N 2.88Å; F228-A231 VanDerWaalsContact O-N 3.14Å; F228-F232 VanDerWaalsContact O-CD2 3.3Å; F228-F232 WeakPolarHBondContact O-CD2 3.47Å; F228-F232 PolarHBondContact O-N 3.15Å; F228-L251 HydrophobicContact CB-CD1 4.3Å; F228-L251 HydrophobicContact CB-CD2 4.07Å; F228-V449 HydrophobicContact CD1-CG2 4.47Å; F228-V449 HydrophobicContact CD2-CB 4.46Å; F228-V449 HydrophobicContact CD2-CG1 3.83Å; F228-V449 HydrophobicContact CD2-CG2 3.86Å; F228-V449 HydrophobicContact CE1-CG2 4.49Å; F228-V449 HydrophobicContact CE2-CB 4.37Å; F228-V449 HydrophobicContact CE2-CG1 3.49Å; F228-V449 VanDerWaalsContact CE2-CG1 3.49Å; F228-V449 HydrophobicContact CE2-CG2 3.9Å; F228-V449 HydrophobicContact CG-CG2 4.16Å; F228-V449 HydrophobicContact CZ-CG1 4.29Å; F228-V449 HydrophobicContact CZ-CG2 4.22Å; F228-I487 HydrophobicContact CE2-CD1 3.94Å; F228-I487 HydrophobicContact CZ-CD1 4.26Å; F228-L489 HydrophobicContact CZ-CD1 4.48Å; F228-I539 HydrophobicContact CD1-CD1 4.33Å; F228-I539 HydrophobicContact CE1-CD1 4.13Å; F228-M543 HydrophobicContact CE1-SD 4.43Å; F228-M543 HydrophobicContact CZ-CE 4.5Å; F228-I566 HydrophobicContact CE2-CD1 3.92Å; F228-I566 HydrophobicContact CZ-CD1 4.43Å
229A91.4Very high86.9Confident16 Ų1644.7 Ų44.713%0.13224%0.243CC..Hα-helixtrans-58.1-47.4172.700000109.8H225 A226 A231 F232 E233 V239 L251H225-A229 WeakPolarHBondContact O-CB 3.45Å; H225-A229 PolarHBondContact O-N 2.97Å; A226-A229 PolarHBondContact O-N 3.15Å; A229-A231 VanDerWaalsContact C-N 3.29Å; A229-A231 PolarHBondContact O-N 2.48Å; A229-F232 PolarHBondContact O-N 3.14Å; A229-E233 WeakPolarHBondContact O-CB 3.43Å; A229-E233 PolarHBondContact O-N 3.06Å; A229-V239 HydrophobicContact CB-CG1 3.74Å; A229-V239 HydrophobicContact CB-CG2 4.11Å; A229-V239 VanDerWaalsContact O-CG2 3.27Å; A229-V239 WeakPolarHBondContact O-CG2 3.38Å; A229-L251 HydrophobicContact CB-CD2 3.9Å; A229-L251 VanDerWaalsContact N-CD2 3.28Å
230K88.1Confident87.4Confident45 Ų4543.2 Ų43.220%0.19623%0.231CC..Hα-helixtrans-64.2-36.3176.3-164.267.1-170.71690112.3A226 Y227 F228 F232 E233 L234 L555A226-K230 PolarHBondContact O-N 3.18Å; Y227-K230 PolarHBondContact O-N 3.36Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 3Å; K230-F232 PolarHBondContact O-N 3.31Å; K230-E233 VanDerWaalsContact CD-OE2 3.29Å; K230-E233 WeakPolarHBondContact CD-OE2 3.42Å; K230-E233 IonicContact NZ-OE1 2.9Å; K230-E233 IonicContact NZ-OE2 3.28Å; K230-E233 PolarHBondContact NZ-OE2 3.27Å; K230-E233 PolarHBondContact O-N 2.55Å; K230-L234 HydrophobicContact CD-CG 4.46Å; K230-L234 HydrophobicContact CG-CD1 3.92Å; K230-L234 HydrophobicContact CG-CG 4.23Å; K230-L234 WeakPolarHBondContact O-CB 3.38Å; K230-L234 WeakPolarHBondContact O-CD1 3.34Å; K230-L234 WeakPolarHBondContact O-CG 3.38Å; K230-L234 PolarHBondContact O-N 2.79Å; K230-L555 HydrophobicContact CD-CD2 4.38Å; K230-L555 HydrophobicContact CG-CD2 4.01Å
231A89.5Confident87.4Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-54.1-51.6174.100000111.9Y227 F228 A229 Q235 T542 I546Y227-A231 PolarHBondContact O-N 2.88Å; F228-A231 WeakPolarHBondContact O-CA 3.43Å; F228-A231 WeakPolarHBondContact O-CB 3.46Å; F228-A231 PolarHBondContact O-N 2.88Å; F228-A231 VanDerWaalsContact O-N 3.14Å; A229-A231 VanDerWaalsContact C-N 3.29Å; A229-A231 PolarHBondContact O-N 2.48Å; A231-Q235 WeakPolarHBondContact O-CG 3.37Å; A231-T542 HydrophobicContact CB-CG2 3.7Å; A231-T542 WeakPolarHBondContact O-CG2 3.28Å; A231-I546 HydrophobicContact CB-CD1 3.19Å; A231-I546 HydrophobicContact CB-CG1 4.45Å
232F92.7Very high86.8Confident1 Ų149.7 Ų49.70%0.00428%0.283CS..Hα-helixtrans-70.2-43.8-178.5-83.8-112000111.5F228 A229 K230 L234 Q235 G236 L237 V239 L251 Y447 W538F228-F232 VanDerWaalsContact O-CD2 3.3Å; F228-F232 WeakPolarHBondContact O-CD2 3.47Å; F228-F232 PolarHBondContact O-N 3.15Å; A229-F232 PolarHBondContact O-N 3.14Å; K230-F232 PolarHBondContact O-N 3.31Å; F232-L234 VanDerWaalsContact C-N 3.34Å; F232-L234 PolarHBondContact O-N 2.85Å; F232-Q235 CarbonylContact O-C 3.44Å; F232-Q235 PolarHBondContact O-N 2.79Å; F232-Q235 VanDerWaalsContact O-N 3.07Å; F232-G236 PolarHBondContact O-N 3.32Å; F232-L237 CarbonylContact C-O 3.59Å; F232-L237 HydrophobicContact CB-CB 4.09Å; F232-L237 HydrophobicContact CD1-CB 3.93Å; F232-L237 HydrophobicContact CD1-CD1 3.62Å; F232-L237 HydrophobicContact CD1-CG 4.44Å; F232-L237 HydrophobicContact CE1-CD1 4Å; F232-L237 HydrophobicContact CG-CB 4.47Å; F232-L237 HydrophobicContact CG-CD1 4.43Å; F232-L237 WeakPolarHBondContact O-CB 3.31Å; F232-L237 PolarHBondContact O-N 3.02Å; F232-V239 HydrophobicContact CB-CG2 4.2Å; F232-L251 HydrophobicContact CB-CB 4.15Å; F232-L251 HydrophobicContact CD1-CB 4.03Å; F232-L251 HydrophobicContact CD2-CB 4.23Å; F232-L251 HydrophobicContact CD2-CD1 4.05Å; F232-L251 HydrophobicContact CE2-CD1 3.92Å; F232-L251 HydrophobicContact CG-CB 3.87Å; F232-L251 HydrophobicContact CZ-CD1 4.25Å; F232-Y447 AromaticContact CZ-CD2 3.79Å; F232-Y447 HydrophobicContact CZ-CD2 3.79Å; F232-Y447 HydrophobicContact CZ-CE2 4.27Å; F232-W538 HydrophobicContact CD1-CH2 4.24Å; F232-W538 HydrophobicContact CD2-CH2 4.14Å; F232-W538 HydrophobicContact CE1-CH2 4.06Å; F232-W538 HydrophobicContact CE1-CZ3 4.44Å; F232-W538 AromaticContact CE2-CH2 3.97Å; F232-W538 HydrophobicContact CE2-CH2 3.97Å; F232-W538 HydrophobicContact CE2-CZ3 4.01Å; F232-W538 HydrophobicContact CG-CH2 4.28Å; F232-W538 AromaticContact CZ-CH2 3.92Å; F232-W538 HydrophobicContact CZ-CH2 3.92Å; F232-W538 AromaticContact CZ-CZ3 3.92Å; F232-W538 HydrophobicContact CZ-CZ3 3.92Å
233E91Very high86.3Confident109 Ų10944.4 Ų44.451%0.50926%0.259SS..Hα-helixtrans-59.1-43.7179.3-169.8-164.3-17900112A229 K230 Q235 G236 V239A229-E233 WeakPolarHBondContact O-CB 3.43Å; A229-E233 PolarHBondContact O-N 3.06Å; K230-E233 VanDerWaalsContact CD-OE2 3.29Å; K230-E233 WeakPolarHBondContact CD-OE2 3.42Å; K230-E233 IonicContact NZ-OE1 2.9Å; K230-E233 IonicContact NZ-OE2 3.28Å; K230-E233 PolarHBondContact NZ-OE2 3.27Å; K230-E233 PolarHBondContact O-N 2.55Å; E233-Q235 PolarHBondContact O-N 3.11Å; E233-G236 PolarHBondContact O-N 2.91Å; E233-V239 HydrophobicContact CB-CG2 4.38Å
234L85.4Confident86.1Confident55 Ų5547.7 Ų47.729%0.28828%0.281SS..Hα-helixtrans-64.1-22178.6-74169.6000113.5K230 F232 G236 Y545 I546 L553K230-L234 HydrophobicContact CD-CG 4.46Å; K230-L234 HydrophobicContact CG-CD1 3.92Å; K230-L234 HydrophobicContact CG-CG 4.23Å; K230-L234 WeakPolarHBondContact O-CB 3.38Å; K230-L234 WeakPolarHBondContact O-CD1 3.34Å; K230-L234 WeakPolarHBondContact O-CG 3.38Å; K230-L234 PolarHBondContact O-N 2.79Å; F232-L234 VanDerWaalsContact C-N 3.34Å; F232-L234 PolarHBondContact O-N 2.85Å; L234-G236 VanDerWaalsContact C-N 3.33Å; L234-Y545 HydrophobicContact CD1-CD1 4Å; L234-Y545 HydrophobicContact CD1-CE1 3.88Å; L234-Y545 HydrophobicContact CD2-CE1 4.44Å; L234-I546 HydrophobicContact CD1-CG1 4.14Å; L234-L553 HydrophobicContact CD1-CD1 3.82Å; L234-L553 HydrophobicContact CD1-CD2 3.96Å; L234-L553 HydrophobicContact CD2-CD2 3.82Å; L234-L553 HydrophobicContact CG-CD2 4.49Å
235Q86.7Confident86.1Confident83 Ų8347.9 Ų47.939%0.38828%0.284SS..THydrogen-bonded Turntrans-93.910174.3-60.2-57.7-52.800112.4A231 F232 E233 L237 W538 T542A231-Q235 WeakPolarHBondContact O-CG 3.37Å; F232-Q235 CarbonylContact O-C 3.44Å; F232-Q235 PolarHBondContact O-N 2.79Å; F232-Q235 VanDerWaalsContact O-N 3.07Å; E233-Q235 PolarHBondContact O-N 3.11Å; Q235-L237 VanDerWaalsContact C-N 3.26Å; Q235-L237 HydrophobicContact CB-CG 4.5Å; Q235-L237 PolarHBondContact O-N 2.89Å; Q235-W538 HydrophobicContact CB-CZ2 3.84Å; Q235-W538 HydrophobicContact CG-CZ2 3.74Å; Q235-T542 HydrophobicContact CG-CG2 3.97Å
236G90.9Very high86.2Confident71 Ų7149.7 Ų49.773%0.73229%0.29SS*.THydrogen-bonded Turntrans7413.7-179.300000114.1F232 E233 L234F232-G236 PolarHBondContact O-N 3.32Å; E233-G236 PolarHBondContact O-N 2.91Å; L234-G236 VanDerWaalsContact C-N 3.33Å
237L93.8Very high86.5Confident25 Ų2548.7 Ų48.713%0.13128%0.282CS..  trans-89.8142.9177.3-59.3-179000110.6F232 Q235 E249 Y430 W538F232-L237 CarbonylContact C-O 3.59Å; F232-L237 HydrophobicContact CB-CB 4.09Å; F232-L237 HydrophobicContact CD1-CB 3.93Å; F232-L237 HydrophobicContact CD1-CD1 3.62Å; F232-L237 HydrophobicContact CD1-CG 4.44Å; F232-L237 HydrophobicContact CE1-CD1 4Å; F232-L237 HydrophobicContact CG-CB 4.47Å; F232-L237 HydrophobicContact CG-CD1 4.43Å; F232-L237 WeakPolarHBondContact O-CB 3.31Å; F232-L237 PolarHBondContact O-N 3.02Å; Q235-L237 VanDerWaalsContact C-N 3.26Å; Q235-L237 HydrophobicContact CB-CG 4.5Å; Q235-L237 PolarHBondContact O-N 2.89Å; L237-E249 HydrophobicContact CD2-CG 3.95Å; L237-Y430 HydrophobicContact CD1-CD2 4.22Å; L237-W538 HydrophobicContact CD1-CH2 3.83Å; L237-W538 HydrophobicContact CD1-CZ2 3.61Å
238K92.4Very high86.7Confident155 Ų15552.7 Ų52.767%0.67430%0.299SS*.  trans-68143.8-179-69.2-177.4178.91780110.9G250 L251K238-G250 CarbonylContact O-C 3.56Å; K238-G250 WeakPolarHBondContact O-CA 3.49Å; K238-L251 PolarHBondContact O-N 3.11Å
239V91.5Very high86.8Confident54 Ų5454.4 Ų54.433%0.32731%0.307SS..EExtended strand (participates in β ladder)trans-115.2113168.5-178.50000107.7A229 F232 E233 L251A229-V239 HydrophobicContact CB-CG1 3.74Å; A229-V239 HydrophobicContact CB-CG2 4.11Å; A229-V239 VanDerWaalsContact O-CG2 3.27Å; A229-V239 WeakPolarHBondContact O-CG2 3.38Å; F232-V239 HydrophobicContact CB-CG2 4.2Å; E233-V239 HydrophobicContact CB-CG2 4.38Å; V239-L251 CarbonylContact C-O 3.47Å; V239-L251 WeakPolarHBondContact CA-O 3.46Å; V239-L251 HydrophobicContact CG1-CB 4.42Å; V239-L251 HydrophobicContact CG1-CD2 4.42Å; V239-L251 HydrophobicContact CG2-CB 4.3Å
240N82.7Confident87Confident60 Ų6053.7 Ų53.732%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-98.3120.7178.7-65.2-32.6000109.4S242 L251 T252 I253N240-S242 PolarHBondContact O-N 3.41Å; N240-L251 PolarHBondContact N-O 2.54Å; N240-T252 WeakPolarHBondContact O-CA 3.43Å; N240-I253 PolarHBondContact O-N 3.1Å
241S70.2Confident87.3Confident96 Ų9651.7 Ų51.767%0.67129%0.293SS*.SBendtrans-67.8-14.3172.754.10000112.9I253S241-I253 WeakPolarHBondContact O-CD1 3.41Å
242S67.1Low87.5Confident86 Ų8652.2 Ų52.260%0.60130%0.296SS*.  trans-157.2120.5171.7480000109.9N240N240-S242 PolarHBondContact O-N 3.41Å
243S70.7Confident87.4Confident7 Ų753.4 Ų53.45%0.04930%0.302CS..  trans-100.8136.9164.5176.70000108.4G245 W246 T252 M255S243-G245 PolarHBondContact O-N 3.29Å; S243-G245 PolarHBondContact OG-N 3.31Å; S243-W246 PolarHBondContact OG-N 3.31Å; S243-W246 PolarHBondContact OG-O 3.34Å; S243-T252 WeakPolarHBondContact CB-OG1 3.23Å; S243-T252 PolarHBondContact N-OG1 3.26Å; S243-M255 WeakPolarHBondContact O-CG 3.49Å
244P79.4Confident87.4Confident91 Ų9148.3 Ų48.359%0.59128%0.279SS*.SBendtrans-69.415.7173.422.8-22.5000113.4Y179Y179-P244 VanDerWaalsContact CD2-O 3.29Å; Y179-P244 WeakPolarHBondContact CD2-O 3.37Å; Y179-P244 WeakPolarHBondContact CE2-O 3.38Å
245G86.7Confident87.8Confident6 Ų647.2 Ų47.26%0.06227%0.273CS..SBendtrans108.2-6.717800000114.4S178 Y179 S243S178-G245 CarbonylContact C-O 3.54Å; S178-G245 VanDerWaalsContact CA-O 3.32Å; S178-G245 WeakPolarHBondContact CA-O 3.33Å; Y179-G245 PolarHBondContact N-O 2.9Å; S243-G245 PolarHBondContact O-N 3.29Å; S243-G245 PolarHBondContact OG-N 3.31Å
246W91.4Very high88.1Confident59 Ų5943.5 Ų43.522%0.22326%0.256CS..BIsolated β-bridgetrans-77.3142.8177.6-63.4111.3000112.3Y179 P182 L187 L198 S243 F248Y179-W246 HydrophobicContact CD2-CD2 4.27Å; Y179-W246 HydrophobicContact CD2-CZ2 4.37Å; Y179-W246 HydrophobicContact CG-CD2 4.49Å; Y179-W246 HydrophobicContact CG-CZ2 4.45Å; P182-W246 HydrophobicContact CB-CZ3 4.47Å; P182-W246 HydrophobicContact CG-CD2 4.25Å; P182-W246 HydrophobicContact CG-CE3 3.84Å; P182-W246 HydrophobicContact CG-CH2 4.49Å; P182-W246 HydrophobicContact CG-CZ3 3.97Å; L187-W246 HydrophobicContact CD1-CH2 3.85Å; L187-W246 HydrophobicContact CD1-CZ3 3.48Å; L187-W246 VanDerWaalsContact CD1-CZ3 3.48Å; L198-W246 HydrophobicContact CD1-CH2 3.9Å; L198-W246 HydrophobicContact CD1-CZ2 4.24Å; S243-W246 PolarHBondContact OG-N 3.31Å; S243-W246 PolarHBondContact OG-O 3.34Å; W246-F248 HydrophobicContact CB-CD2 3.78Å; W246-F248 HydrophobicContact CB-CE2 3.35Å; W246-F248 HydrophobicContact CB-CZ 3.84Å; W246-F248 AromaticContact CG-CE2 3.96Å; W246-F248 HydrophobicContact CG-CE2 3.96Å; W246-F248 HydrophobicContact CG-CZ 4.2Å; W246-F248 PolarHBondContact O-N 2.79Å
247S93.4Very high88.2Confident0 Ų040.2 Ų40.20%022%0.221CC..  trans-93.565.4-176.4-55.90000112.4S178 G180 H181 Y429 P443 T657S178-S247 PolarHBondContact OG-OG 2.9Å; G180-S247 WeakPolarHBondContact O-CB 3.43Å; G180-S247 PolarHBondContact O-N 3.17Å; G180-S247 PolarHBondContact O-OG 2.99Å; H181-S247 PolarHBondContact CD2-O 3.29Å; S247-Y429 PolarHBondContact OG-OH 3.25Å; S247-P443 WeakPolarHBondContact O-CD 3.26Å; S247-P443 VanDerWaalsContact O-CG 3.25Å; S247-P443 WeakPolarHBondContact O-CG 3.24Å; S247-T657 WeakPolarHBondContact CB-O 3.31Å; S247-T657 PolarHBondContact OG-O 2.88Å
248F93.5Very high88.1Confident87 Ų8739.6 Ų39.638%0.38222%0.219SC..  trans-85.6151.1175.8-61.2-60.4000112.3H181 P182 W246 G250 Y429H181-F248 AromaticContact CD2-CD1 3.79Å; H181-F248 AromaticContact NE2-CD1 3.61Å; H181-F248 AromaticContact NE2-CE1 3.75Å; P182-F248 HydrophobicContact CG-CE1 3.86Å; P182-F248 HydrophobicContact CG-CZ 3.82Å; W246-F248 HydrophobicContact CB-CD2 3.78Å; W246-F248 HydrophobicContact CB-CE2 3.35Å; W246-F248 HydrophobicContact CB-CZ 3.84Å; W246-F248 AromaticContact CG-CE2 3.96Å; W246-F248 HydrophobicContact CG-CE2 3.96Å; W246-F248 HydrophobicContact CG-CZ 4.2Å; W246-F248 PolarHBondContact O-N 2.79Å; F248-G250 PolarHBondContact O-N 2.48Å; F248-Y429 WeakPolarHBondContact O-CB 3.33Å
249E94.5Very high88Confident36 Ų3634.8 Ų34.817%0.16820%0.196CC..SBendtrans-53.7126.8175.1-167.7179.8-15600111.2L237 R431 K436L237-E249 HydrophobicContact CD2-CG 3.95Å; E249-R431 WeakPolarHBondContact OE1-CB 3.5Å; E249-R431 PolarHBondContact OE1-N 2.92Å; E249-R431 IonicContact OE1-NE 3.95Å; E249-R431 IonicContact OE2-CZ 3.74Å; E249-R431 VanDerWaalsContact OE2-CZ 3.25Å; E249-R431 IonicContact OE2-NE 3Å; E249-R431 PolarHBondContact OE2-NE 3.06Å; E249-R431 IonicContact OE2-NH2 3.93Å; E249-R431 PolarHBondContact OE2-NH2 3.16Å; E249-K436 WeakPolarHBondContact OE1-CE 3.31Å; E249-K436 IonicContact OE1-NZ 2.74Å; E249-K436 PolarHBondContact OE1-NZ 3.5Å
250G95.2Very high87.8Confident2 Ų238.1 Ų38.12%0.02121%0.212CC..EExtended strand (participates in β ladder)trans134.8-176.7-170.900000113.4K238 F248 G428 Y429K238-G250 CarbonylContact O-C 3.56Å; K238-G250 WeakPolarHBondContact O-CA 3.49Å; F248-G250 PolarHBondContact O-N 2.48Å; G250-G428 CarbonylContact O-C 3.54Å; G250-G428 WeakPolarHBondContact O-CA 3.32Å; G250-Y429 PolarHBondContact N-O 3.27Å; G250-Y429 PolarHBondContact O-N 3.21Å
251L95Very high88Confident2 Ų235.8 Ų35.81%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-103.9139173.3-166.782.1000110.1F228 A229 F232 K238 V239 N240F228-L251 HydrophobicContact CB-CD1 4.3Å; F228-L251 HydrophobicContact CB-CD2 4.07Å; A229-L251 HydrophobicContact CB-CD2 3.9Å; A229-L251 VanDerWaalsContact N-CD2 3.28Å; F232-L251 HydrophobicContact CB-CB 4.15Å; F232-L251 HydrophobicContact CD1-CB 4.03Å; F232-L251 HydrophobicContact CD2-CB 4.23Å; F232-L251 HydrophobicContact CD2-CD1 4.05Å; F232-L251 HydrophobicContact CE2-CD1 3.92Å; F232-L251 HydrophobicContact CG-CB 3.87Å; F232-L251 HydrophobicContact CZ-CD1 4.25Å; K238-L251 PolarHBondContact O-N 3.11Å; V239-L251 CarbonylContact C-O 3.47Å; V239-L251 WeakPolarHBondContact CA-O 3.46Å; V239-L251 HydrophobicContact CG1-CB 4.42Å; V239-L251 HydrophobicContact CG1-CD2 4.42Å; V239-L251 HydrophobicContact CG2-CB 4.3Å; N240-L251 PolarHBondContact N-O 2.54Å
252T93.1Very high88.9Confident11 Ų1135.5 Ų35.57%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-133.5154.4174.1-172.30000112.3N240 S243 I427 Y429N240-T252 WeakPolarHBondContact O-CA 3.43Å; S243-T252 WeakPolarHBondContact CB-OG1 3.23Å; S243-T252 PolarHBondContact N-OG1 3.26Å; T252-I427 HydrophobicContact CG2-CB 4.49Å; T252-I427 PolarHBondContact N-O 2.82Å; T252-I427 PolarHBondContact O-N 2.85Å; T252-I427 VanDerWaalsContact O-N 3.1Å; T252-Y429 HydrophobicContact CG2-CE2 4.42Å
253I91.1Very high90.2Very high26 Ų2631.6 Ų31.613%0.13316%0.161CC..PPolyproline II helixtrans-68.6123.5157.3-56.4-169.1000107.6A214 I215 N240 S241A214-I253 HydrophobicContact CB-CG2 4.4Å; I215-I253 HydrophobicContact CD1-CG2 4.37Å; I215-I253 HydrophobicContact CG1-CG2 3.52Å; N240-I253 PolarHBondContact O-N 3.1Å; S241-I253 WeakPolarHBondContact O-CD1 3.41Å
254P91.8Very high91.3Very high3 Ų331.7 Ų31.72%0.01916%0.161CC..PPolyproline II helixtrans-72.2147.1-178.527.4-33.8000112I215 L424 I427I215-P254 HydrophobicContact CD1-CG 3.61Å; I215-P254 HydrophobicContact CG1-CG 3.85Å; I215-P254 HydrophobicContact CG2-CG 4.12Å; I215-P254 PolarHBondContact N-O 2.67Å; P254-L424 HydrophobicContact CG-CB 4.41Å; P254-I427 HydrophobicContact CB-CD1 3.72Å; P254-I427 HydrophobicContact CB-CG1 3.91Å; P254-I427 HydrophobicContact CG-CG1 4.35Å
255M92.3Very high92.1Very high32 Ų3227.4 Ų27.416%0.15813%0.133CC..EExtended strand (participates in β ladder)trans-87.3143.9166.7-64.6-64.4-70.100108.9F177 P212 E213 A214 S243F177-M255 HydrophobicContact CB-CB 3.89Å; F177-M255 WeakPolarHBondContact CB-O 3.27Å; F177-M255 HydrophobicContact CD1-CB 3.67Å; F177-M255 HydrophobicContact CD1-CG 4.37Å; F177-M255 HydrophobicContact CG-CB 4.18Å; F177-M255 PolarHBondContact N-O 3.12Å; P212-M255 HydrophobicContact CB-CB 4.36Å; P212-M255 HydrophobicContact CB-CE 4.17Å; P212-M255 HydrophobicContact CG-CE 3.99Å; P212-M255 WeakPolarHBondContact O-CE 3.25Å; E213-M255 CarbonylContact O-C 3.32Å; E213-M255 WeakPolarHBondContact O-CA 3.22Å; A214-M255 VanDerWaalsContact CA-SD 3.55Å; A214-M255 HydrophobicContact CB-SD 3.75Å; A214-M255 PolarHBondContact N-SD 3.35Å; A214-M255 VanDerWaalsContact N-SD 3.39Å; S243-M255 WeakPolarHBondContact O-CG 3.49Å
256V93.4Very high92.5Very high4 Ų427.1 Ų27.12%0.02413%0.13CC..EExtended strand (participates in β ladder)trans-138153.5-178.1-670000112.7M175 P212 E213 I215 V258 A421 L424M175-V256 HydrophobicContact CB-CB 4.37Å; M175-V256 CarbonylContact O-C 3.58Å; M175-V256 WeakPolarHBondContact O-CA 3.42Å; M175-V256 WeakPolarHBondContact O-CB 3.04Å; P212-V256 WeakPolarHBondContact CA-O 2.97Å; E213-V256 PolarHBondContact N-O 2.88Å; E213-V256 WeakPolarHBondContact O-CG2 3.45Å; E213-V256 PolarHBondContact O-N 2.73Å; I215-V256 HydrophobicContact CG2-CB 4.18Å; I215-V256 HydrophobicContact CG2-CG1 3.46Å; I215-V256 VanDerWaalsContact CG2-CG1 3.46Å; I215-V256 HydrophobicContact CG2-CG2 3.61Å; V256-V258 HydrophobicContact CB-CG2 4.38Å; V256-V258 HydrophobicContact CG2-CB 3.9Å; V256-V258 HydrophobicContact CG2-CG2 4.01Å; V256-V258 PolarHBondContact O-N 2.8Å; V256-A421 HydrophobicContact CB-CB 4.14Å; V256-A421 HydrophobicContact CG1-CB 3.86Å; V256-A421 HydrophobicContact CG2-CB 4.1Å; V256-L424 HydrophobicContact CG1-CD1 4.25Å
257F93.7Very high92.7Very high2 Ų224.6 Ų24.61%0.00912%0.121CC..SBendtrans-78.363168.6-67.4-63.9000111.1M175 F177 F202 L210 I264 A661 M665M175-F257 HydrophobicContact CB-CB 4.37Å; M175-F257 PolarHBondContact O-N 2.55Å; F177-F257 HydrophobicContact CB-CE2 4.35Å; F177-F257 AromaticContact CD2-CE1 3.8Å; F177-F257 HydrophobicContact CD2-CE1 3.8Å; F177-F257 HydrophobicContact CD2-CE2 4.04Å; F177-F257 AromaticContact CD2-CZ 3.49Å; F177-F257 HydrophobicContact CD2-CZ 3.49Å; F177-F257 VanDerWaalsContact CD2-CZ 3.49Å; F177-F257 HydrophobicContact CE2-CE1 4.38Å; F177-F257 HydrophobicContact CE2-CZ 4.18Å; F202-F257 HydrophobicContact CD1-CE1 4.49Å; F202-F257 AromaticContact CE1-CE1 3.92Å; F202-F257 HydrophobicContact CE1-CE1 3.92Å; F202-F257 HydrophobicContact CE1-CZ 4.05Å; L210-F257 WeakPolarHBondContact O-CE1 3.36Å; F257-I264 VanDerWaalsContact C-CG1 3.44Å; F257-I264 HydrophobicContact CB-CG1 3.9Å; F257-I264 HydrophobicContact CD1-CD1 4.46Å; F257-I264 HydrophobicContact CD1-CG1 4.46Å; F257-I264 WeakPolarHBondContact O-CG1 3.24Å; F257-I264 PolarHBondContact O-N 3.33Å; F257-A661 HydrophobicContact CE2-CB 4.45Å; F257-M665 HydrophobicContact CD2-CE 4.44Å; F257-M665 HydrophobicContact CE1-CE 4.47Å; F257-M665 HydrophobicContact CE1-SD 4.18Å; F257-M665 HydrophobicContact CE2-CE 3.96Å; F257-M665 HydrophobicContact CE2-SD 4.37Å; F257-M665 HydrophobicContact CZ-CE 3.94Å; F257-M665 HydrophobicContact CZ-SD 3.77Å
258V91.7Very high92.8Very high13 Ų1325.4 Ų25.48%0.07913%0.126CC..EExtended strand (participates in β ladder)trans-130.3134.7173.2173.90000108.8P126 M175 V256 Q262 A421P126-V258 HydrophobicContact CB-CG2 4.3Å; P126-V258 HydrophobicContact CG-CG1 4.21Å; P126-V258 HydrophobicContact CG-CG2 3.99Å; M175-V258 HydrophobicContact CB-CG2 4.39Å; M175-V258 HydrophobicContact CG-CG2 4.43Å; M175-V258 HydrophobicContact SD-CG2 3.62Å; V256-V258 HydrophobicContact CB-CG2 4.38Å; V256-V258 HydrophobicContact CG2-CB 3.9Å; V256-V258 HydrophobicContact CG2-CG2 4.01Å; V256-V258 PolarHBondContact O-N 2.8Å; V258-Q262 CarbonylContact C-O 3.54Å; V258-Q262 VanDerWaalsContact CA-O 3.26Å; V258-Q262 WeakPolarHBondContact CA-O 3.45Å; V258-Q262 WeakPolarHBondContact CG1-O 3.42Å; V258-A421 HydrophobicContact CG2-CB 3.93Å
259R89.7Confident92.8Very high53 Ų5323.4 Ų23.420%0.212%0.118CC..EExtended strand (participates in β ladder)trans-136.3136.4173.7-175177.8-58.9141.58109.1S209 K211 E213 A261 Q262 I264 E269S209-R259 PolarHBondContact O-NH1 3.22Å; S209-R259 PolarHBondContact O-NH2 3.35Å; S209-R259 PolarHBondContact OG-NH1 3.03Å; S209-R259 PolarHBondContact OG-NH2 2.89Å; K211-R259 PolarHBondContact O-NH2 3.49Å; E213-R259 WeakPolarHBondContact OE1-CG 3.39Å; R259-A261 PolarHBondContact O-N 3.39Å; R259-Q262 PolarHBondContact N-O 3.26Å; R259-Q262 PolarHBondContact O-N 2.86Å; R259-Q262 VanDerWaalsContact O-O 3.1Å; R259-I264 HydrophobicContact CB-CD1 4.47Å; R259-I264 HydrophobicContact CB-CG2 3.71Å; R259-E269 IonicContact NH1-OE2 2.77Å; R259-E269 PolarHBondContact NH1-OE2 2.97Å
260N87.2Confident92.9Very high125 Ų12521.7 Ų21.767%0.66811%0.11SC*.THydrogen-bonded Turntrans49.844.5-178.9-62.4-32.7000112.9Q262N260-Q262 PolarHBondContact O-N 3.06Å; N260-Q262 VanDerWaalsContact O-N 3.13Å
261A86.4Confident92.9Very high10 Ų1021.6 Ų21.68%0.08311%0.109CC..THydrogen-bonded Turntrans63.77-177.400000116.2P126 R259 Y410 G414P126-A261 WeakPolarHBondContact CD-O 3.23Å; P126-A261 WeakPolarHBondContact CG-O 3.27Å; R259-A261 PolarHBondContact O-N 3.39Å; A261-Y410 HydrophobicContact CB-CE2 4.13Å; A261-Y410 VanDerWaalsContact O-CE2 3.31Å; A261-Y410 WeakPolarHBondContact O-CE2 3.44Å; A261-Y410 PolarHBondContact O-OH 3.47Å; A261-G414 WeakPolarHBondContact CB-O 3.49Å
262Q90.5Very high92.8Very high90 Ų9023 Ų2342%0.42112%0.117SC..EExtended strand (participates in β ladder)trans-113.6145.5178.7-67.1178.70.500110.7D124 V258 R259 N260 I264D124-Q262 WeakPolarHBondContact O-CA 3.48Å; V258-Q262 CarbonylContact C-O 3.54Å; V258-Q262 VanDerWaalsContact CA-O 3.26Å; V258-Q262 WeakPolarHBondContact CA-O 3.45Å; V258-Q262 WeakPolarHBondContact CG1-O 3.42Å; R259-Q262 PolarHBondContact N-O 3.26Å; R259-Q262 PolarHBondContact O-N 2.86Å; R259-Q262 VanDerWaalsContact O-O 3.1Å; N260-Q262 PolarHBondContact O-N 3.06Å; N260-Q262 VanDerWaalsContact O-N 3.13Å; Q262-I264 PolarHBondContact O-N 2.78Å
263R93.4Very high92.8Very high4 Ų424.4 Ų24.42%0.01513%0.126CC..EExtended strand (participates in β ladder)trans-55.8134.7167.6172.3-172.5-64.9-82.1-7.9109.6S123 D124 A170 N173 M175S123-R263 WeakPolarHBondContact O-CD 3.27Å; S123-R263 PolarHBondContact O-NE 2.98Å; D124-R263 PolarHBondContact O-N 2.81Å; A170-R263 PolarHBondContact O-NH1 3.3Å; A170-R263 VanDerWaalsContact O-NH1 3.1Å; N173-R263 VanDerWaalsContact O-CZ 3.31Å; N173-R263 PolarHBondContact O-NH1 3.26Å; N173-R263 PolarHBondContact O-NH2 3.04Å; N173-R263 PolarHBondContact OD1-NH1 2.93Å; M175-R263 HydrophobicContact CG-CG 4.2Å; M175-R263 HydrophobicContact SD-CB 4.07Å; M175-R263 HydrophobicContact SD-CG 4.27Å; M175-R263 PolarHBondContact SD-NH2 2.85Å; M175-R263 VanDerWaalsContact SD-NH2 3.44Å
264I94.5Very high92.8Very high9 Ų923.3 Ų23.35%0.04612%0.12CC..  trans-108.8146162.860.6171.7000109.1F257 R259 Q262 E269F257-I264 VanDerWaalsContact C-CG1 3.44Å; F257-I264 HydrophobicContact CB-CG1 3.9Å; F257-I264 HydrophobicContact CD1-CD1 4.46Å; F257-I264 HydrophobicContact CD1-CG1 4.46Å; F257-I264 WeakPolarHBondContact O-CG1 3.24Å; F257-I264 PolarHBondContact O-N 3.33Å; R259-I264 HydrophobicContact CB-CD1 4.47Å; R259-I264 HydrophobicContact CB-CG2 3.71Å; Q262-I264 PolarHBondContact O-N 2.78Å; I264-E269 HydrophobicContact CB-CG 3.94Å; I264-E269 HydrophobicContact CG2-CG 4.39Å
265S95.2Very high92.8Very high1 Ų125.1 Ų25.11%0.00713%0.129CC..  trans-144.1162.2178.9640000110.4Y267 S268 E269S265-Y267 PolarHBondContact O-N 2.83Å; S265-S268 PolarHBondContact N-OG 2.79Å; S265-S268 PolarHBondContact O-N 3.09Å; S265-S268 VanDerWaalsContact O-N 3.09Å; S265-S268 PolarHBondContact O-OG 3.13Å; S265-S268 PolarHBondContact OG-N 3.1Å; S265-S268 VanDerWaalsContact OG-N 3.1Å; S265-E269 WeakPolarHBondContact O-CB 3.42Å; S265-E269 WeakPolarHBondContact O-CG 3.26Å; S265-E269 PolarHBondContact O-N 2.89Å
266S95.5Very high92.7Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-56.9-31.417253.90000112T47 C270 L271T47-S266 WeakPolarHBondContact CA-OG 3.49Å; T47-S266 VanDerWaalsContact O-CB 3.23Å; T47-S266 WeakPolarHBondContact O-CB 3.36Å; T47-S266 PolarHBondContact O-OG 2.94Å; S266-C270 WeakPolarHBondContact O-CA 3.42Å; S266-C270 WeakPolarHBondContact O-CB 3.33Å; S266-C270 PolarHBondContact O-N 3Å; S266-L271 PolarHBondContact O-N 3.42Å
267Y95.9Very high92.5Very high6 Ų636 Ų362%0.02418%0.177CC..Iπ-helixtrans-63.4-54.9170.4176.3-100.9000112.8I115 K120 L166 L171 S265 E269 L271 L272 I275I115-Y267 HydrophobicContact CG2-CE1 4.01Å; K120-Y267 HydrophobicContact CD-CE1 4.35Å; L166-Y267 HydrophobicContact CB-CE2 4.44Å; L166-Y267 HydrophobicContact CD2-CE2 3.94Å; L166-Y267 HydrophobicContact CG-CD2 4.27Å; L166-Y267 HydrophobicContact CG-CE2 3.83Å; L171-Y267 HydrophobicContact CD1-CD1 4.3Å; L171-Y267 HydrophobicContact CD1-CG 4.47Å; L171-Y267 HydrophobicContact CD2-CD1 4.03Å; S265-Y267 PolarHBondContact O-N 2.83Å; Y267-E269 PolarHBondContact O-N 2.99Å; Y267-L271 HydrophobicContact CD2-CB 4.43Å; Y267-L271 HydrophobicContact CD2-CD2 4.13Å; Y267-L271 HydrophobicContact CE2-CD2 4.47Å; Y267-L271 PolarHBondContact O-N 2.93Å; Y267-L272 HydrophobicContact CE1-CB 4.25Å; Y267-L272 HydrophobicContact CE1-CD1 4.36Å; Y267-L272 HydrophobicContact CE1-CD2 4.21Å; Y267-L272 VanDerWaalsContact O-CB 3.22Å; Y267-L272 WeakPolarHBondContact O-CB 3.46Å; Y267-L272 PolarHBondContact O-N 3.21Å; Y267-I275 HydrophobicContact CE2-CD1 4.1Å
268S94.7Very high91.9Very high17 Ų1744.3 Ų44.312%0.11921%0.213CC..Iπ-helixtrans-66.8-38.7-174.5690000112.5S265 P273S265-S268 PolarHBondContact N-OG 2.79Å; S265-S268 PolarHBondContact O-N 3.09Å; S265-S268 VanDerWaalsContact O-N 3.09Å; S265-S268 PolarHBondContact O-OG 3.13Å; S265-S268 PolarHBondContact OG-N 3.1Å; S265-S268 VanDerWaalsContact OG-N 3.1Å; S268-P273 WeakPolarHBondContact O-CD 3.4Å
269E95.2Very high91.7Very high45 Ų4545.5 Ų45.521%0.2122%0.218CC..Iπ-helixtrans-90.3-37.2-172.9-58.4-54.7114.800112.7C208 S209 L210 R259 I264 S265 Y267 P273C208-E269 VanDerWaalsContact SG-CB 3.53Å; S209-E269 WeakPolarHBondContact O-CG 3.4Å; L210-E269 HydrophobicContact CD2-CB 4.03Å; L210-E269 HydrophobicContact CD2-CG 4.01Å; L210-E269 HydrophobicContact CG-CB 4.45Å; R259-E269 IonicContact NH1-OE2 2.77Å; R259-E269 PolarHBondContact NH1-OE2 2.97Å; I264-E269 HydrophobicContact CB-CG 3.94Å; I264-E269 HydrophobicContact CG2-CG 4.39Å; S265-E269 WeakPolarHBondContact O-CB 3.42Å; S265-E269 WeakPolarHBondContact O-CG 3.26Å; S265-E269 PolarHBondContact O-N 2.89Å; Y267-E269 PolarHBondContact O-N 2.99Å; E269-P273 WeakPolarHBondContact O-CG 3.4Å
270C95.5Very high91.5Very high0 Ų048.3 Ų48.30%024%0.241CC..Iπ-helixtrans-100.7-55.6-173.6-53.80000112.3I51 R54 C208 S266I51-C270 VanDerWaalsContact CG1-SG 3.59Å; R54-C270 HydrophobicContact CB-CB 3.73Å; R54-C270 WeakPolarHBondContact CD-O 3.41Å; R54-C270 HydrophobicContact CG-CB 3.92Å; R54-C270 PolarHBondContact NH1-O 2.88Å; C208-C270 HydrophobicContact CB-CB 3.76Å; C208-C270 WeakPolarHBondContact CB-SG 3.28Å; C208-C270 WeakPolarHBondContact SG-CA 3.3Å; C208-C270 WeakPolarHBondContact SG-CB 3.41Å; C208-C270 PolarHBondContact SG-N 2.93Å; C208-C270 CovalentContact SG-SG 2.02Å; C208-C270 PolarHBondContact SG-SG 3.04Å; S266-C270 WeakPolarHBondContact O-CA 3.42Å; S266-C270 WeakPolarHBondContact O-CB 3.33Å; S266-C270 PolarHBondContact O-N 3Å
271L94.9Very high91.7Very high0 Ų044.3 Ų44.30%022%0.219CC..Iπ-helixtrans-84.6-48.5-168-176.859.9000112.7V53 L108 L166 S266 Y267 P273 L274 I275 I284V53-L271 HydrophobicContact CB-CD1 4.1Å; V53-L271 HydrophobicContact CG1-CD1 3.72Å; V53-L271 HydrophobicContact CG2-CD1 4.48Å; L108-L271 HydrophobicContact CD2-CD1 4.25Å; L108-L271 HydrophobicContact CD2-CD2 3.78Å; L166-L271 HydrophobicContact CD1-CD2 4.01Å; L166-L271 HydrophobicContact CG-CD2 4.26Å; S266-L271 PolarHBondContact O-N 3.42Å; Y267-L271 HydrophobicContact CD2-CB 4.43Å; Y267-L271 HydrophobicContact CD2-CD2 4.13Å; Y267-L271 HydrophobicContact CE2-CD2 4.47Å; Y267-L271 PolarHBondContact O-N 2.93Å; L271-P273 VanDerWaalsContact C-CD 3.45Å; L271-P273 VanDerWaalsContact C-N 3.33Å; L271-L274 WeakPolarHBondContact O-CA 3.31Å; L271-L274 WeakPolarHBondContact O-CB 3.34Å; L271-L274 PolarHBondContact O-N 2.97Å; L271-I275 HydrophobicContact CD1-CG1 4.46Å; L271-I275 HydrophobicContact CD2-CD1 4.41Å; L271-I275 HydrophobicContact CG-CD1 4.01Å; L271-I275 HydrophobicContact CG-CG1 4.21Å; L271-I275 WeakPolarHBondContact O-CG1 3.1Å; L271-I275 PolarHBondContact O-N 3.2Å; L271-I275 VanDerWaalsContact O-N 3.11Å; L271-I284 HydrophobicContact CD1-CD1 4.21Å
272L93.8Very high92Very high33 Ų3344.6 Ų44.617%0.17322%0.22CC..Hα-helixtrans-55.1-38.7-176.6-178.862.2000113.8Y267 L274 I275 K276Y267-L272 HydrophobicContact CE1-CB 4.25Å; Y267-L272 HydrophobicContact CE1-CD1 4.36Å; Y267-L272 HydrophobicContact CE1-CD2 4.21Å; Y267-L272 VanDerWaalsContact O-CB 3.22Å; Y267-L272 WeakPolarHBondContact O-CB 3.46Å; Y267-L272 PolarHBondContact O-N 3.21Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 PolarHBondContact O-N 3.32Å; L272-I275 PolarHBondContact O-N 2.88Å; L272-K276 WeakPolarHBondContact O-CG 3.32Å; L272-K276 PolarHBondContact O-N 2.95Å; L272-K276 VanDerWaalsContact O-N 3.1Å
273P92.9Very high92.2Very high40 Ų4041.2 Ų41.226%0.2621%0.205SC..Hα-helixtrans-60.2-35.4173.4-2636.7000113.7S268 E269 L271 Q277S268-P273 WeakPolarHBondContact O-CD 3.4Å; E269-P273 WeakPolarHBondContact O-CG 3.4Å; L271-P273 VanDerWaalsContact C-CD 3.45Å; L271-P273 VanDerWaalsContact C-N 3.33Å; P273-Q277 WeakPolarHBondContact O-CG 3.47Å
274L90.9Very high92.3Very high3 Ų343.4 Ų43.42%0.01622%0.216CC..Hα-helixtrans-71.4-41.3175.6-65-177.4000111.7V53 R54 W57 L271 L272 K276 Q277 F279 L282V53-L274 HydrophobicContact CG1-CD1 4.21Å; R54-L274 HydrophobicContact CB-CD1 4.34Å; W57-L274 HydrophobicContact CB-CD1 4.01Å; W57-L274 HydrophobicContact CG-CD1 4.07Å; W57-L274 HydrophobicContact CG-CD2 4.19Å; L271-L274 WeakPolarHBondContact O-CA 3.31Å; L271-L274 WeakPolarHBondContact O-CB 3.34Å; L271-L274 PolarHBondContact O-N 2.97Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 PolarHBondContact O-N 3.32Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.91Å; L274-Q277 PolarHBondContact O-N 3.32Å; L274-Q277 VanDerWaalsContact O-N 3.09Å; L274-F279 HydrophobicContact CD2-CE2 4.11Å; L274-L282 HydrophobicContact CB-CD2 3.91Å; L274-L282 HydrophobicContact CD1-CD2 4.31Å
275I90.9Very high92.3Very high40 Ų4043.7 Ų43.721%0.20522%0.218CC..Hα-helixtrans-56.2-44.8176.5-58.9-175.6000110.6L166 Y267 L271 L272 Q277 K278 I284L166-I275 HydrophobicContact CD2-CD1 3.78Å; Y267-I275 HydrophobicContact CE2-CD1 4.1Å; L271-I275 HydrophobicContact CD1-CG1 4.46Å; L271-I275 HydrophobicContact CD2-CD1 4.41Å; L271-I275 HydrophobicContact CG-CD1 4.01Å; L271-I275 HydrophobicContact CG-CG1 4.21Å; L271-I275 WeakPolarHBondContact O-CG1 3.1Å; L271-I275 PolarHBondContact O-N 3.2Å; L271-I275 VanDerWaalsContact O-N 3.11Å; L272-I275 PolarHBondContact O-N 2.88Å; I275-Q277 PolarHBondContact O-N 3.33Å; I275-K278 PolarHBondContact O-N 3.27Å; I275-I284 HydrophobicContact CD1-CD1 3.93Å; I275-I284 HydrophobicContact CG1-CD1 3.55Å
276K90.6Very high92.3Very high154 Ų15445.2 Ų45.267%0.6723%0.228SC*.Hα-helixtrans-63-24.3-179.2-73.4177.3178.3178.30113.5L272 L274L272-K276 WeakPolarHBondContact O-CG 3.32Å; L272-K276 PolarHBondContact O-N 2.95Å; L272-K276 VanDerWaalsContact O-N 3.1Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.91Å
277Q88.7Confident92.2Very high112 Ų11249.6 Ų49.652%0.52325%0.248SC..Hα-helixtrans-83.5-11.4-179.6-67.7178.232.500113.5P273 L274 I275 F279P273-Q277 WeakPolarHBondContact O-CG 3.47Å; L274-Q277 PolarHBondContact O-N 3.32Å; L274-Q277 VanDerWaalsContact O-N 3.09Å; I275-Q277 PolarHBondContact O-N 3.33Å; Q277-F279 HydrophobicContact CB-CD2 3.93Å; Q277-F279 HydrophobicContact CB-CE2 3.49Å; Q277-F279 VanDerWaalsContact CB-CE2 3.49Å; Q277-F279 HydrophobicContact CB-CZ 3.86Å; Q277-F279 HydrophobicContact CG-CE2 4.27Å; Q277-F279 HydrophobicContact CG-CZ 4.48Å; Q277-F279 PolarHBondContact O-N 3.44Å
278K83.1Confident92.2Very high175 Ų17549.3 Ų49.376%0.76125%0.247SC*.THydrogen-bonded Turntrans52.248.5174.2-60.6-171.4175.9-168.30114.3I275I275-K278 PolarHBondContact O-N 3.27Å
279F86.3Confident92.3Very high39 Ų3952.1 Ų52.117%0.17126%0.259CS..  trans-66.4140.6176.7-65.4-68.6000112.7W57 L274 Q277 D281 L282W57-F279 AromaticContact CE2-CD2 3.84Å; W57-F279 AromaticContact CE2-CE2 3.81Å; W57-F279 HydrophobicContact CH2-CB 3.63Å; W57-F279 HydrophobicContact CH2-CD1 4.1Å; W57-F279 HydrophobicContact CH2-CD2 4.05Å; W57-F279 AromaticContact CH2-CG 3.68Å; W57-F279 HydrophobicContact CH2-CG 3.68Å; W57-F279 HydrophobicContact CZ2-CB 3.84Å; W57-F279 AromaticContact CZ2-CD1 3.58Å; W57-F279 HydrophobicContact CZ2-CD1 3.58Å; W57-F279 AromaticContact CZ2-CD2 3.41Å; W57-F279 HydrophobicContact CZ2-CD2 3.41Å; W57-F279 VanDerWaalsContact CZ2-CD2 3.41Å; W57-F279 AromaticContact CZ2-CE1 3.84Å; W57-F279 HydrophobicContact CZ2-CE1 3.84Å; W57-F279 AromaticContact CZ2-CE2 3.67Å; W57-F279 HydrophobicContact CZ2-CE2 3.67Å; W57-F279 AromaticContact CZ2-CG 3.32Å; W57-F279 HydrophobicContact CZ2-CG 3.32Å; W57-F279 AromaticContact CZ2-CZ 3.85Å; W57-F279 HydrophobicContact CZ2-CZ 3.85Å; W57-F279 AromaticContact NE1-CE2 3.66Å; W57-F279 AromaticContact NE1-CZ 3.95Å; L274-F279 HydrophobicContact CD2-CE2 4.11Å; Q277-F279 HydrophobicContact CB-CD2 3.93Å; Q277-F279 HydrophobicContact CB-CE2 3.49Å; Q277-F279 VanDerWaalsContact CB-CE2 3.49Å; Q277-F279 HydrophobicContact CB-CZ 3.86Å; Q277-F279 HydrophobicContact CG-CE2 4.27Å; Q277-F279 HydrophobicContact CG-CZ 4.48Å; Q277-F279 PolarHBondContact O-N 3.44Å; F279-D281 VanDerWaalsContact C-N 3.34Å; F279-L282 HydrophobicContact CB-CB 4.22Å
280T85.7Confident92.4Very high112 Ų11250.5 Ų50.569%0.68725%0.252SS*.THydrogen-bonded Turntrans-72.2-27.8176.449.80000113.3L282T280-L282 VanDerWaalsContact C-N 3.35Å
281D90.5Very high92.4Very high41 Ų4152.4 Ų52.422%0.21926%0.261CS..THydrogen-bonded Turntrans-86-7.4-178.8-48.9-57000112.8W57 R103 K105 I106 F279W57-D281 HydrophobicContact CH2-CB 3.98Å; W57-D281 HydrophobicContact CZ3-CB 3.97Å; R103-D281 HydrophobicContact CB-CB 4.28Å; R103-D281 WeakPolarHBondContact CD-OD2 3.47Å; K105-D281 CarbonylContact C-O 3.26Å; K105-D281 WeakPolarHBondContact CA-O 3.43Å; I106-D281 PolarHBondContact N-O 3.04Å; F279-D281 VanDerWaalsContact C-N 3.34Å
282L93.6Very high92.4Very high16 Ų1655.9 Ų55.98%0.08428%0.276CS..EExtended strand (participates in β ladder)trans-111.1105.2173.2176.959.6000109V53 W57 I106 L274 F279 T280 I284V53-L282 HydrophobicContact CG1-CD1 3.83Å; V53-L282 HydrophobicContact CG1-CD2 4.26Å; W57-L282 HydrophobicContact CE3-CB 4.38Å; W57-L282 HydrophobicContact CH2-CB 4.48Å; W57-L282 HydrophobicContact CZ3-CB 3.99Å; I106-L282 HydrophobicContact CB-CD1 3.91Å; I106-L282 HydrophobicContact CG2-CD1 3.83Å; L274-L282 HydrophobicContact CB-CD2 3.91Å; L274-L282 HydrophobicContact CD1-CD2 4.31Å; F279-L282 HydrophobicContact CB-CB 4.22Å; T280-L282 VanDerWaalsContact C-N 3.35Å; L282-I284 HydrophobicContact CD1-CG1 4.23Å; L282-I284 HydrophobicContact CD2-CD1 4.28Å; L282-I284 HydrophobicContact CG-CD1 4.3Å; L282-I284 HydrophobicContact CG-CG1 4.15Å
283T94.6Very high92.5Very high19 Ų1954.5 Ų54.512%0.11727%0.269CS..EExtended strand (participates in β ladder)trans-100128174.3-58.40000108.6L33 I106 L107 L108 V285L33-T283 HydrophobicContact CD2-CG2 4.36Å; I106-T283 PolarHBondContact O-N 3.15Å; L107-T283 CarbonylContact C-O 3.58Å; L107-T283 WeakPolarHBondContact CA-O 3.34Å; L107-T283 HydrophobicContact CD1-CG2 3.68Å; L108-T283 PolarHBondContact N-O 3.36Å; T283-V285 HydrophobicContact CG2-CG2 4.03Å
284I94.9Very high92.6Very high49 Ų4953.7 Ų53.725%0.25126%0.262SS..EExtended strand (participates in β ladder)trans-123126.1176.3-57173.7000107L108 L166 L271 I275 L282L108-I284 HydrophobicContact CB-CG1 4.1Å; L108-I284 HydrophobicContact CB-CG2 4.4Å; L108-I284 HydrophobicContact CD2-CD1 4.44Å; L108-I284 HydrophobicContact CD2-CG1 4.25Å; L108-I284 HydrophobicContact CD2-CG2 4.07Å; L108-I284 HydrophobicContact CG-CG2 4.46Å; L108-I284 WeakPolarHBondContact O-CA 3.29Å; L166-I284 HydrophobicContact CD1-CG2 4.3Å; L166-I284 HydrophobicContact CD2-CG2 4.05Å; L271-I284 HydrophobicContact CD1-CD1 4.21Å; I275-I284 HydrophobicContact CD1-CD1 3.93Å; I275-I284 HydrophobicContact CG1-CD1 3.55Å; L282-I284 HydrophobicContact CD1-CG1 4.23Å; L282-I284 HydrophobicContact CD2-CD1 4.28Å; L282-I284 HydrophobicContact CG-CD1 4.3Å; L282-I284 HydrophobicContact CG-CG1 4.15Å
285V94.9Very high92.7Very high15 Ų1554.3 Ų54.39%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-125.6129.3178.1-1730000107.7L33 L107 L108 L109 E110 T283 I288 Y312L33-V285 HydrophobicContact CD1-CG2 4.26Å; L33-V285 HydrophobicContact CD2-CG2 4.05Å; L107-V285 HydrophobicContact CD1-CG2 4.17Å; L108-V285 PolarHBondContact O-N 2.64Å; L109-V285 HydrophobicContact CD2-CB 4.26Å; E110-V285 PolarHBondContact N-O 3.43Å; T283-V285 HydrophobicContact CG2-CG2 4.03Å; V285-I288 HydrophobicContact CB-CG2 3.84Å; V285-I288 HydrophobicContact CG1-CB 4.03Å; V285-I288 HydrophobicContact CG1-CD1 4.09Å; V285-I288 HydrophobicContact CG1-CG2 3.67Å; V285-I288 VanDerWaalsContact O-CG2 3.27Å; V285-I288 WeakPolarHBondContact O-CG2 3.17Å; V285-Y312 HydrophobicContact CG1-CD2 4.4Å; V285-Y312 HydrophobicContact CG1-CE2 4.22Å
286T94.6Very high92.6Very high34 Ų3456.3 Ų56.321%0.20927%0.271CS..  trans-103.8169175.650.80000109.8E110 G112 K114 L166 I288E110-T286 HydrophobicContact CB-CG2 4.38Å; E110-T286 CarbonylContact O-C 3.54Å; E110-T286 VanDerWaalsContact O-C 3.24Å; E110-T286 VanDerWaalsContact O-CA 3.26Å; E110-T286 WeakPolarHBondContact O-CA 3.07Å; G112-T286 VanDerWaalsContact O-CB 3.28Å; G112-T286 WeakPolarHBondContact O-CB 3.21Å; K114-T286 HydrophobicContact CB-CG2 4.24Å; L166-T286 HydrophobicContact CB-CG2 4.19Å; L166-T286 HydrophobicContact CD2-CG2 4.35Å; T286-I288 PolarHBondContact O-N 3.31Å
287E94.1Very high92.1Very high91 Ų9155.4 Ų55.443%0.42527%0.268SS..SBendtrans57.529.1-178.7-52.3-179.715900113E110 S111 G112 Y312E110-E287 PolarHBondContact O-N 2.98Å; S111-E287 WeakPolarHBondContact O-CA 3.3Å; G112-E287 PolarHBondContact O-N 2.74Å; E287-Y312 WeakPolarHBondContact O-CD2 3.48Å
288I96Very high91.1Very high1 Ų151.9 Ų51.91%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-124.9115.7-178.8-173.9159.1000109.7L33 L109 E110 S111 V285 T286 V310 N311 Y312 F317 I319L33-I288 HydrophobicContact CD1-CD1 4.04Å; L109-I288 HydrophobicContact CB-CG2 4.01Å; L109-I288 HydrophobicContact CD2-CD1 3.85Å; L109-I288 HydrophobicContact CD2-CG1 4.27Å; L109-I288 HydrophobicContact CD2-CG2 3.77Å; E110-I288 CarbonylContact C-O 3.56Å; E110-I288 VanDerWaalsContact C-O 3.31Å; E110-I288 PolarHBondContact O-N 2.84Å; S111-I288 WeakPolarHBondContact CA-O 3.33Å; S111-I288 PolarHBondContact N-O 3.44Å; V285-I288 HydrophobicContact CB-CG2 3.84Å; V285-I288 HydrophobicContact CG1-CB 4.03Å; V285-I288 HydrophobicContact CG1-CD1 4.09Å; V285-I288 HydrophobicContact CG1-CG2 3.67Å; V285-I288 VanDerWaalsContact O-CG2 3.27Å; V285-I288 WeakPolarHBondContact O-CG2 3.17Å; T286-I288 PolarHBondContact O-N 3.31Å; I288-V310 HydrophobicContact CD1-CB 4.12Å; I288-V310 HydrophobicContact CD1-CG1 4.49Å; I288-V310 HydrophobicContact CD1-CG2 4Å; I288-V310 HydrophobicContact CG1-CB 3.95Å; I288-V310 HydrophobicContact CG1-CG1 4.38Å; I288-V310 HydrophobicContact CG1-CG2 4.36Å; I288-N311 WeakPolarHBondContact CA-O 3.43Å; I288-Y312 HydrophobicContact CB-CD2 3.94Å; I288-Y312 HydrophobicContact CD1-CD2 4.45Å; I288-Y312 HydrophobicContact CD1-CG 4.47Å; I288-Y312 HydrophobicContact CG1-CD2 4.46Å; I288-F317 HydrophobicContact CD1-CZ 4.16Å; I288-I319 HydrophobicContact CD1-CD1 4.44Å
289Q96Very high90Very high76 Ų7654.5 Ų54.536%0.35527%0.273SS..EExtended strand (participates in β ladder)trans-96.9128.8-179.1-177.4167.4-1400110.2E291 V310 N311Q289-E291 PolarHBondContact O-N 2.99Å; Q289-V310 CarbonylContact O-C 3.56Å; Q289-V310 WeakPolarHBondContact O-CA 3.38Å; Q289-N311 PolarHBondContact N-O 3.32Å; Q289-N311 PolarHBondContact O-N 3.4Å
290V97.9Very high88.8Confident11 Ų1160.2 Ų60.27%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-77.5119.4166177.40000107.9A43 L109 V308 V310 I349A43-V290 HydrophobicContact CB-CB 4.3Å; A43-V290 HydrophobicContact CB-CG2 3.75Å; L109-V290 HydrophobicContact CB-CG2 4.21Å; L109-V290 HydrophobicContact CD1-CG2 3.64Å; V290-V308 HydrophobicContact CG1-CB 4.13Å; V290-V308 HydrophobicContact CG1-CG1 4.06Å; V290-V310 HydrophobicContact CG2-CG1 4.15Å; V290-I349 HydrophobicContact CB-CD1 3.98Å; V290-I349 HydrophobicContact CG1-CD1 4Å; V290-I349 HydrophobicContact CG1-CG2 4.28Å
291E95.2Very high87.8Confident40 Ų4061.8 Ų61.819%0.18730%0.3CS..EExtended strand (participates in β ladder)trans-90.7-44-178.4-65.9-173.8150.300111.8Q289 L309 N311 R352Q289-E291 PolarHBondContact O-N 2.99Å; E291-L309 HydrophobicContact CB-CD2 4.4Å; E291-L309 HydrophobicContact CB-CG 4.44Å; E291-L309 PolarHBondContact N-O 2.93Å; E291-L309 VanDerWaalsContact OE2-CD2 3.3Å; E291-L309 WeakPolarHBondContact OE2-CD2 3.16Å; E291-N311 HydrophobicContact CG-CB 4.03Å; E291-N311 WeakPolarHBondContact OE1-CB 3.2Å; E291-N311 PolarHBondContact OE1-ND2 3.47Å; E291-R352 WeakPolarHBondContact O-CD 3Å
292K94.5Very high87.1Confident73 Ų7364.1 Ų64.132%0.31731%0.313SS..EExtended strand (participates in β ladder)trans-158.7160.2176.463.6176.3179.7-177.10112.4V308 L309 R352 S353K292-V308 WeakPolarHBondContact O-CA 3.43Å; K292-L309 HydrophobicContact CD-CD2 4.39Å; K292-L309 HydrophobicContact CG-CB 3.81Å; K292-L309 HydrophobicContact CG-CD2 4.06Å; K292-L309 PolarHBondContact O-N 2.92Å; K292-R352 HydrophobicContact CB-CB 4.26Å; K292-S353 WeakPolarHBondContact CA-OG 3.42Å; K292-S353 WeakPolarHBondContact CB-OG 3.39Å
293I96.5Very high86.8Confident4 Ų463.8 Ų63.82%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-85.8143.9169.1-61.4165.3000109F295 A305 V308 I337 L339 I349 L350 S353 V644I293-F295 HydrophobicContact CB-CE1 4.33Å; I293-F295 HydrophobicContact CB-CE2 4.13Å; I293-F295 HydrophobicContact CB-CZ 3.83Å; I293-F295 HydrophobicContact CD1-CZ 4.49Å; I293-F295 HydrophobicContact CG2-CD1 4.07Å; I293-F295 HydrophobicContact CG2-CE1 3.48Å; I293-F295 VanDerWaalsContact CG2-CE1 3.48Å; I293-F295 HydrophobicContact CG2-CE2 4.09Å; I293-F295 HydrophobicContact CG2-CZ 3.5Å; I293-A305 HydrophobicContact CG2-CB 3.64Å; I293-V308 HydrophobicContact CG1-CG1 4.47Å; I293-I337 HydrophobicContact CG2-CD1 3.9Å; I293-L339 HydrophobicContact CD1-CD1 3.95Å; I293-L339 HydrophobicContact CD1-CD2 4.27Å; I293-L339 HydrophobicContact CD1-CG 4.34Å; I293-I349 HydrophobicContact CD1-CG2 4.4Å; I293-I349 HydrophobicContact CG1-CG2 4.21Å; I293-L350 HydrophobicContact CD1-CD2 4.02Å; I293-S353 PolarHBondContact N-OG 2.82Å; I293-V644 HydrophobicContact CD1-CG1 3.72Å; I293-V644 HydrophobicContact CD1-CG2 4.26Å; I293-V644 HydrophobicContact CG2-CG2 4.22Å
294L95.3Very high86.7Confident22 Ų2263.7 Ų63.712%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-103.7127.8177.5-55.6175.6000110.2A305 Y306 G307 L309 T318L294-A305 WeakPolarHBondContact O-CA 3.35Å; L294-Y306 HydrophobicContact CB-CD1 4.28Å; L294-Y306 HydrophobicContact CB-CD2 4.47Å; L294-Y306 HydrophobicContact CB-CE1 3.7Å; L294-Y306 HydrophobicContact CB-CE2 3.9Å; L294-Y306 VanDerWaalsContact CB-CZ 3.49Å; L294-Y306 HydrophobicContact CD1-CE2 4.06Å; L294-Y306 WeakPolarHBondContact O-CD1 3.3Å; L294-Y306 PolarHBondContact O-N 3.37Å; L294-G307 PolarHBondContact N-O 2.89Å; L294-L309 HydrophobicContact CD2-CB 4.35Å; L294-T318 HydrophobicContact CD1-CG2 3.66Å
295F92.5Very high86.6Confident17 Ų1761.4 Ų61.48%0.07530%0.3CS..EExtended strand (participates in β ladder)trans-116.3141-173.9-65.3-62.4000112.6I293 L303 S304 A305 Y306 S353 V355 Y370 V641 V644I293-F295 HydrophobicContact CB-CE1 4.33Å; I293-F295 HydrophobicContact CB-CE2 4.13Å; I293-F295 HydrophobicContact CB-CZ 3.83Å; I293-F295 HydrophobicContact CD1-CZ 4.49Å; I293-F295 HydrophobicContact CG2-CD1 4.07Å; I293-F295 HydrophobicContact CG2-CE1 3.48Å; I293-F295 VanDerWaalsContact CG2-CE1 3.48Å; I293-F295 HydrophobicContact CG2-CE2 4.09Å; I293-F295 HydrophobicContact CG2-CZ 3.5Å; F295-L303 HydrophobicContact CB-CD1 4.19Å; F295-L303 HydrophobicContact CB-CD2 3.83Å; F295-L303 HydrophobicContact CB-CG 3.78Å; F295-L303 HydrophobicContact CD1-CD2 3.48Å; F295-L303 VanDerWaalsContact CD1-CD2 3.48Å; F295-L303 HydrophobicContact CD1-CG 3.88Å; F295-L303 HydrophobicContact CD2-CD2 3.59Å; F295-L303 HydrophobicContact CD2-CG 4.48Å; F295-L303 HydrophobicContact CE1-CD2 3.86Å; F295-L303 HydrophobicContact CE2-CD2 3.92Å; F295-L303 HydrophobicContact CG-CD2 3.34Å; F295-L303 HydrophobicContact CG-CG 3.81Å; F295-L303 HydrophobicContact CZ-CD2 4.06Å; F295-S304 WeakPolarHBondContact CA-O 3.44Å; F295-A305 HydrophobicContact CD1-CB 3.98Å; F295-A305 HydrophobicContact CE1-CB 3.86Å; F295-Y306 VanDerWaalsContact C-CE1 3.5Å; F295-Y306 WeakPolarHBondContact O-CE1 3.33Å; F295-S353 WeakPolarHBondContact CE2-O 3.17Å; F295-V355 HydrophobicContact CE2-CG2 3.64Å; F295-V355 HydrophobicContact CZ-CG2 3.84Å; F295-Y370 HydrophobicContact CB-CE2 4.33Å; F295-Y370 AromaticContact CD2-CD2 3.72Å; F295-Y370 HydrophobicContact CD2-CD2 3.72Å; F295-Y370 AromaticContact CD2-CE2 3.78Å; F295-Y370 HydrophobicContact CD2-CE2 3.78Å; F295-Y370 HydrophobicContact CD2-CG 4.47Å; F295-Y370 HydrophobicContact CE2-CD2 4.36Å; F295-V641 HydrophobicContact CD1-CG1 4.12Å; F295-V641 HydrophobicContact CE1-CG1 3.38Å; F295-V641 HydrophobicContact CZ-CG1 4.05Å; F295-V644 HydrophobicContact CE1-CG2 4.09Å
296K88.3Confident86.6Confident81 Ų8164.4 Ų64.435%0.35231%0.31SS..EExtended strand (participates in β ladder)trans-109.3138.2165.662.9177.9-175.9175.10108.5S304 Y306 D328K296-S304 WeakPolarHBondContact CG-O 3.39Å; K296-S304 PolarHBondContact N-O 3.43Å; K296-S304 PolarHBondContact O-N 3.37Å; K296-Y306 HydrophobicContact CB-CD1 4Å; K296-Y306 HydrophobicContact CB-CE1 4.42Å; K296-Y306 HydrophobicContact CG-CD1 4.26Å; K296-D328 IonicContact NZ-OD2 2.58Å; K296-D328 PolarHBondContact NZ-OD2 2.58Å
297K80.9Confident86.7Confident136 Ų13662.8 Ų62.859%0.59130%0.3SS*.EExtended strand (participates in β ladder)trans-79.1126.9168.7-75.1-170.9174.1-168.90109.1L303K297-L303 HydrophobicContact CG-CD1 4.3Å
298G68.4Low86.9Confident38 Ų3858.5 Ų58.539%0.39228%0.28SS..  trans-81.8-176.8173.800000113.3Q300 E301 D302G298-Q300 PolarHBondContact O-N 3.47Å; G298-E301 PolarHBondContact O-N 3.04Å; G298-D302 PolarHBondContact N-O 3.46Å
299F60.2Low86.9Confident229 Ų22960.2 Ų60.2100%1.00429%0.289SS*.THydrogen-bonded Turntrans-61.2-23.4-178.8-86.5-84.1000114.4
300Q60.5Low87Confident159 Ų15956.6 Ų56.674%0.74327%0.272SS*.THydrogen-bonded Turntrans-114.327.4-180-67.8-173.8-2200112.6G298 D302G298-Q300 PolarHBondContact O-N 3.47Å; Q300-D302 PolarHBondContact O-N 2.98Å
301E64.6Low86.9Confident146 Ų14657.9 Ų57.968%0.68228%0.278SS*.SBendtrans61.52.1-169.7-54-155.1132.400115.4G298 L303G298-E301 PolarHBondContact O-N 3.04Å; E301-L303 PolarHBondContact O-N 2.88Å
302D74.9Confident86.9Confident90 Ų9056.6 Ų56.648%0.48127%0.272SS..  trans-54.3124.9171.9-72.9-26.5000110.7G298 Q300G298-D302 PolarHBondContact N-O 3.46Å; Q300-D302 PolarHBondContact O-N 2.98Å
303L88.6Confident86.7Confident8 Ų857.2 Ų57.24%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-81.8120.5-179.4-146.681.2000109.2F295 K297 E301 Y370 V641 S642F295-L303 HydrophobicContact CB-CD1 4.19Å; F295-L303 HydrophobicContact CB-CD2 3.83Å; F295-L303 HydrophobicContact CB-CG 3.78Å; F295-L303 HydrophobicContact CD1-CD2 3.48Å; F295-L303 VanDerWaalsContact CD1-CD2 3.48Å; F295-L303 HydrophobicContact CD1-CG 3.88Å; F295-L303 HydrophobicContact CD2-CD2 3.59Å; F295-L303 HydrophobicContact CD2-CG 4.48Å; F295-L303 HydrophobicContact CE1-CD2 3.86Å; F295-L303 HydrophobicContact CE2-CD2 3.92Å; F295-L303 HydrophobicContact CG-CD2 3.34Å; F295-L303 HydrophobicContact CG-CG 3.81Å; F295-L303 HydrophobicContact CZ-CD2 4.06Å; K297-L303 HydrophobicContact CG-CD1 4.3Å; E301-L303 PolarHBondContact O-N 2.88Å; L303-Y370 HydrophobicContact CD1-CD1 3.37Å; L303-Y370 HydrophobicContact CD1-CE1 4.13Å; L303-Y370 HydrophobicContact CD1-CG 3.66Å; L303-Y370 VanDerWaalsContact CD2-CB 3.48Å; L303-Y370 HydrophobicContact CD2-CD1 4.35Å; L303-Y370 HydrophobicContact CD2-CD2 4.2Å; L303-Y370 HydrophobicContact CD2-CG 3.77Å; L303-Y370 HydrophobicContact CG-CD1 4.44Å; L303-Y370 HydrophobicContact CG-CG 4.35Å; L303-V641 HydrophobicContact CB-CG2 4.24Å; L303-V641 HydrophobicContact CD2-CG1 4.4Å; L303-V641 HydrophobicContact CD2-CG2 3.93Å; L303-V641 CarbonylContact O-C 3.55Å; L303-V641 WeakPolarHBondContact O-CA 3.38Å; L303-S642 PolarHBondContact O-N 3.09Å
304S91.2Very high86.4Confident17 Ų1764.1 Ų64.112%0.11931%0.311CS..EExtended strand (participates in β ladder)trans-117.1127.5175.4-177.30000110F295 K296F295-S304 WeakPolarHBondContact CA-O 3.44Å; K296-S304 WeakPolarHBondContact CG-O 3.39Å; K296-S304 PolarHBondContact N-O 3.43Å; K296-S304 PolarHBondContact O-N 3.37Å
305A94.2Very high86.3Confident2 Ų268.5 Ų68.52%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-72140.9169.800000111I293 L294 F295 I337 S642 N643 V644I293-A305 HydrophobicContact CG2-CB 3.64Å; L294-A305 WeakPolarHBondContact O-CA 3.35Å; F295-A305 HydrophobicContact CD1-CB 3.98Å; F295-A305 HydrophobicContact CE1-CB 3.86Å; A305-I337 HydrophobicContact CB-CD1 3.83Å; A305-S642 PolarHBondContact N-O 3.02Å; A305-N643 HydrophobicContact CB-CB 4.49Å; A305-V644 HydrophobicContact CB-CG2 3.26Å
306Y93.9Very high86.4Confident78 Ų7871.1 Ų71.131%0.30635%0.352SS..EExtended strand (participates in β ladder)trans-127-7.1176.470.8-94.9000113.3L294 F295 K296 K320 L321L294-Y306 HydrophobicContact CB-CD1 4.28Å; L294-Y306 HydrophobicContact CB-CD2 4.47Å; L294-Y306 HydrophobicContact CB-CE1 3.7Å; L294-Y306 HydrophobicContact CB-CE2 3.9Å; L294-Y306 VanDerWaalsContact CB-CZ 3.49Å; L294-Y306 HydrophobicContact CD1-CE2 4.06Å; L294-Y306 WeakPolarHBondContact O-CD1 3.3Å; L294-Y306 PolarHBondContact O-N 3.37Å; F295-Y306 VanDerWaalsContact C-CE1 3.5Å; F295-Y306 WeakPolarHBondContact O-CE1 3.33Å; K296-Y306 HydrophobicContact CB-CD1 4Å; K296-Y306 HydrophobicContact CB-CE1 4.42Å; K296-Y306 HydrophobicContact CG-CD1 4.26Å; Y306-K320 WeakPolarHBondContact O-CA 3.46Å; Y306-L321 PolarHBondContact O-N 2.79Å
307G96.4Very high86.8Confident0 Ų067.9 Ų67.90%034%0.337CS..EExtended strand (participates in β ladder)trans176.3-174.8-179.900000113.2L294 I319 I337L294-G307 PolarHBondContact N-O 2.89Å; G307-I319 CarbonylContact C-O 3.55Å; G307-I319 WeakPolarHBondContact CA-O 3.28Å; G307-I337 WeakPolarHBondContact O-CD1 3.41Å
308V98.1Very high87.6Confident0 Ų063.9 Ų63.90%032%0.324CS..EExtended strand (participates in β ladder)trans-128.4145.3177.8-68.10000110.4I41 L109 V290 K292 I293 V310 T318 I319 I337I41-V308 HydrophobicContact CD1-CG2 4.43Å; I41-V308 HydrophobicContact CG2-CG2 4.1Å; L109-V308 HydrophobicContact CD1-CG2 4.22Å; V290-V308 HydrophobicContact CG1-CB 4.13Å; V290-V308 HydrophobicContact CG1-CG1 4.06Å; K292-V308 WeakPolarHBondContact O-CA 3.43Å; I293-V308 HydrophobicContact CG1-CG1 4.47Å; V308-V310 HydrophobicContact CB-CG1 4.39Å; V308-V310 HydrophobicContact CG2-CG1 3.76Å; V308-T318 VanDerWaalsContact O-CA 3.31Å; V308-T318 WeakPolarHBondContact O-CA 3.46Å; V308-I319 HydrophobicContact CG2-CB 4Å; V308-I319 PolarHBondContact N-O 3.18Å; V308-I319 PolarHBondContact O-N 2.82Å; V308-I337 HydrophobicContact CG1-CD1 3.75Å; V308-I337 HydrophobicContact CG1-CG1 4.26Å; V308-I337 HydrophobicContact CG1-CG2 4.16Å
309L97.8Very high89Confident37 Ų3762 Ų6219%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-87.3128.4160.7-178.568.6000107.7E291 K292 L294 T318E291-L309 HydrophobicContact CB-CD2 4.4Å; E291-L309 HydrophobicContact CB-CG 4.44Å; E291-L309 PolarHBondContact N-O 2.93Å; E291-L309 VanDerWaalsContact OE2-CD2 3.3Å; E291-L309 WeakPolarHBondContact OE2-CD2 3.16Å; K292-L309 HydrophobicContact CD-CD2 4.39Å; K292-L309 HydrophobicContact CG-CB 3.81Å; K292-L309 HydrophobicContact CG-CD2 4.06Å; K292-L309 PolarHBondContact O-N 2.92Å; L294-L309 HydrophobicContact CD2-CB 4.35Å; L309-T318 HydrophobicContact CD1-CG2 4.22Å
310V97.9Very high90.7Very high0 Ų056 Ų560%028%0.279CS..EExtended strand (participates in β ladder)trans-124.2152.7-179.8-62.60000110.4L109 I288 Q289 V290 V308 S316 F317 I319L109-V310 HydrophobicContact CD1-CG1 3.88Å; I288-V310 HydrophobicContact CD1-CB 4.12Å; I288-V310 HydrophobicContact CD1-CG1 4.49Å; I288-V310 HydrophobicContact CD1-CG2 4Å; I288-V310 HydrophobicContact CG1-CB 3.95Å; I288-V310 HydrophobicContact CG1-CG1 4.38Å; I288-V310 HydrophobicContact CG1-CG2 4.36Å; Q289-V310 CarbonylContact O-C 3.56Å; Q289-V310 WeakPolarHBondContact O-CA 3.38Å; V290-V310 HydrophobicContact CG2-CG1 4.15Å; V308-V310 HydrophobicContact CB-CG1 4.39Å; V308-V310 HydrophobicContact CG2-CG1 3.76Å; V310-S316 CarbonylContact O-C 3.56Å; V310-S316 WeakPolarHBondContact O-CA 3.33Å; V310-F317 HydrophobicContact CG2-CD1 4.16Å; V310-F317 HydrophobicContact CG2-CD2 3.82Å; V310-F317 HydrophobicContact CG2-CE1 3.91Å; V310-F317 HydrophobicContact CG2-CE2 3.57Å; V310-F317 HydrophobicContact CG2-CG 4.11Å; V310-F317 HydrophobicContact CG2-CZ 3.61Å; V310-F317 VanDerWaalsContact CG2-O 3.31Å; V310-F317 WeakPolarHBondContact CG2-O 3.21Å; V310-F317 PolarHBondContact N-O 2.68Å; V310-F317 PolarHBondContact O-N 3.3Å; V310-I319 HydrophobicContact CG1-CD1 4.09Å; V310-I319 HydrophobicContact CG2-CD1 3.91Å; V310-I319 HydrophobicContact CG2-CG1 4.03Å
311N96Very high92.3Very high38 Ų3848.5 Ų48.520%0.20324%0.244CC..EExtended strand (participates in β ladder)trans-115.8118.3167.9-173-41.9000108.6I288 Q289 E291 N314I288-N311 WeakPolarHBondContact CA-O 3.43Å; Q289-N311 PolarHBondContact N-O 3.32Å; Q289-N311 PolarHBondContact O-N 3.4Å; E291-N311 HydrophobicContact CG-CB 4.03Å; E291-N311 WeakPolarHBondContact OE1-CB 3.2Å; E291-N311 PolarHBondContact OE1-ND2 3.47Å; N311-N314 VanDerWaalsContact OD1-CA 3.3Å; N311-N314 WeakPolarHBondContact OD1-CA 3.43Å; N311-N314 PolarHBondContact OD1-N 2.87Å
312Y95.1Very high93.6Very high13 Ų1344.3 Ų44.35%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-120.3113.2175.1177.8-116.8000108D26 I29 I30 V285 E287 I288 N314 H315D26-Y312 HydrophobicContact CB-CE1 4.02Å; D26-Y312 VanDerWaalsContact OD1-CE1 3.31Å; D26-Y312 WeakPolarHBondContact OD1-CE1 3.36Å; D26-Y312 PolarHBondContact OD1-OH 3.01Å; I29-Y312 HydrophobicContact CG2-CE1 4.45Å; I30-Y312 HydrophobicContact CD1-CD1 4.29Å; I30-Y312 HydrophobicContact CG1-CD1 4.04Å; V285-Y312 HydrophobicContact CG1-CD2 4.4Å; V285-Y312 HydrophobicContact CG1-CE2 4.22Å; E287-Y312 WeakPolarHBondContact O-CD2 3.48Å; I288-Y312 HydrophobicContact CB-CD2 3.94Å; I288-Y312 HydrophobicContact CD1-CD2 4.45Å; I288-Y312 HydrophobicContact CD1-CG 4.47Å; I288-Y312 HydrophobicContact CG1-CD2 4.46Å; Y312-N314 VanDerWaalsContact C-N 3.27Å; Y312-N314 PolarHBondContact O-N 3.15Å; Y312-H315 PolarHBondContact N-O 3.07Å; Y312-H315 WeakPolarHBondContact O-CB 3.26Å; Y312-H315 PolarHBondContact O-N 2.9Å
313K88.8Confident93.9Very high87 Ų8742.9 Ų42.938%0.37822%0.218SC..THydrogen-bonded Turntrans48.246.9179.7-58.2179.9178176.10113.3D26 H315D26-K313 VanDerWaalsContact CG-NZ 3.26Å; D26-K313 IonicContact OD1-NZ 3.77Å; D26-K313 PolarHBondContact OD1-NZ 2.73Å; D26-K313 WeakPolarHBondContact OD2-CD 3.28Å; D26-K313 IonicContact OD2-NZ 2.72Å; D26-K313 PolarHBondContact OD2-NZ 2.7Å; K313-H315 VanDerWaalsContact C-N 3.28Å; K313-H315 PolarHBondContact O-CD2 3.49Å; K313-H315 PolarHBondContact O-N 2.73Å
314N89.8Confident92.6Very high148 Ų14845.3 Ų45.379%0.79123%0.231SC*.THydrogen-bonded Turntrans70.710.2-177.1-50.9-51.2000116N311 Y312N311-N314 VanDerWaalsContact OD1-CA 3.3Å; N311-N314 WeakPolarHBondContact OD1-CA 3.43Å; N311-N314 PolarHBondContact OD1-N 2.87Å; Y312-N314 VanDerWaalsContact C-N 3.27Å; Y312-N314 PolarHBondContact O-N 3.15Å
315H93.7Very high90.9Very high115 Ų11550.2 Ų50.253%0.53227%0.265SS..EExtended strand (participates in β ladder)trans-104114.6170.8-66.7-83.8000110.6I30 Y312 K313 F317I30-H315 HydrophobicContact CD1-CB 3.97Å; Y312-H315 PolarHBondContact N-O 3.07Å; Y312-H315 WeakPolarHBondContact O-CB 3.26Å; Y312-H315 PolarHBondContact O-N 2.9Å; K313-H315 VanDerWaalsContact C-N 3.28Å; K313-H315 PolarHBondContact O-CD2 3.49Å; K313-H315 PolarHBondContact O-N 2.73Å; H315-F317 WeakPolarHBondContact O-CD1 3.26Å
316S95.9Very high88.8Confident72 Ų7256.1 Ų56.150%0.50330%0.296SS..EExtended strand (participates in β ladder)trans-89.8128.3176.3-58.50000111.8V310V310-S316 CarbonylContact O-C 3.56Å; V310-S316 WeakPolarHBondContact O-CA 3.33Å
317F96.9Very high86.9Confident12 Ų1257.5 Ų57.55%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-153.7172.6175.760.8-84.5000112I30 L33 Q34 I288 V310 H315 I319I30-F317 HydrophobicContact CB-CE1 4.32Å; I30-F317 HydrophobicContact CB-CZ 4.42Å; I30-F317 HydrophobicContact CD1-CE1 4.32Å; I30-F317 HydrophobicContact CG1-CD1 4.24Å; I30-F317 HydrophobicContact CG1-CE1 3.67Å; I30-F317 HydrophobicContact CG1-CZ 4.03Å; I30-F317 HydrophobicContact CG2-CD1 3.87Å; I30-F317 HydrophobicContact CG2-CD2 4.26Å; I30-F317 HydrophobicContact CG2-CE1 4.02Å; I30-F317 HydrophobicContact CG2-CE2 4.38Å; I30-F317 HydrophobicContact CG2-CG 4.01Å; I30-F317 HydrophobicContact CG2-CZ 4.27Å; L33-F317 HydrophobicContact CB-CE2 3.85Å; L33-F317 HydrophobicContact CB-CZ 4.47Å; L33-F317 HydrophobicContact CD1-CE2 3.97Å; L33-F317 HydrophobicContact CD1-CZ 3.8Å; Q34-F317 HydrophobicContact CG-CB 4.31Å; Q34-F317 HydrophobicContact CG-CD2 3.62Å; Q34-F317 HydrophobicContact CG-CE2 4.35Å; Q34-F317 HydrophobicContact CG-CG 4.24Å; I288-F317 HydrophobicContact CD1-CZ 4.16Å; V310-F317 HydrophobicContact CG2-CD1 4.16Å; V310-F317 HydrophobicContact CG2-CD2 3.82Å; V310-F317 HydrophobicContact CG2-CE1 3.91Å; V310-F317 HydrophobicContact CG2-CE2 3.57Å; V310-F317 HydrophobicContact CG2-CG 4.11Å; V310-F317 HydrophobicContact CG2-CZ 3.61Å; V310-F317 VanDerWaalsContact CG2-O 3.31Å; V310-F317 WeakPolarHBondContact CG2-O 3.21Å; V310-F317 PolarHBondContact N-O 2.68Å; V310-F317 PolarHBondContact O-N 3.3Å; H315-F317 WeakPolarHBondContact O-CD1 3.26Å; F317-I319 HydrophobicContact CD2-CG1 4.14Å; F317-I319 HydrophobicContact CE2-CD1 3.97Å; F317-I319 HydrophobicContact CE2-CG1 3.77Å
318T97.1Very high84.9Confident52 Ų5261.5 Ų61.532%0.31933%0.328SS..EExtended strand (participates in β ladder)trans-104.9141.5-177.868.10000112L294 V308 L309L294-T318 HydrophobicContact CD1-CG2 3.66Å; V308-T318 VanDerWaalsContact O-CA 3.31Å; V308-T318 WeakPolarHBondContact O-CA 3.46Å; L309-T318 HydrophobicContact CD1-CG2 4.22Å
319I97.5Very high83Confident0 Ų068.7 Ų68.70%036%0.362CS..EExtended strand (participates in β ladder)trans-119132171-53.8178.6000107.8L33 Y38 I41 L107 L109 I288 G307 V308 V310 F317L33-I319 HydrophobicContact CB-CD1 4.03Å; L33-I319 HydrophobicContact CB-CG1 4.23Å; L33-I319 HydrophobicContact CD1-CD1 4.13Å; L33-I319 HydrophobicContact CD2-CD1 4.3Å; L33-I319 HydrophobicContact CG-CD1 4.39Å; Y38-I319 HydrophobicContact CD2-CG2 3.83Å; Y38-I319 HydrophobicContact CE2-CG2 3.82Å; I41-I319 HydrophobicContact CD1-CG2 3.95Å; L107-I319 HydrophobicContact CD2-CD1 3.86Å; L107-I319 HydrophobicContact CD2-CG2 3.67Å; L109-I319 HydrophobicContact CD1-CD1 4.31Å; L109-I319 HydrophobicContact CD2-CD1 4.25Å; I288-I319 HydrophobicContact CD1-CD1 4.44Å; G307-I319 CarbonylContact C-O 3.55Å; G307-I319 WeakPolarHBondContact CA-O 3.28Å; V308-I319 HydrophobicContact CG2-CB 4Å; V308-I319 PolarHBondContact N-O 3.18Å; V308-I319 PolarHBondContact O-N 2.82Å; V310-I319 HydrophobicContact CG1-CD1 4.09Å; V310-I319 HydrophobicContact CG2-CD1 3.91Å; V310-I319 HydrophobicContact CG2-CG1 4.03Å; F317-I319 HydrophobicContact CD2-CG1 4.14Å; F317-I319 HydrophobicContact CE2-CD1 3.97Å; F317-I319 HydrophobicContact CE2-CG1 3.77Å
320K95.8Very high81.6Confident102 Ų10272.2 Ų72.244%0.44338%0.377SS..EExtended strand (participates in β ladder)trans-107.8142.8-171.4-64.7179.5-178.7175.40111.8Y38 Y306Y38-K320 PolarHBondContact N-O 3.42Å; Y306-K320 WeakPolarHBondContact O-CA 3.46Å
321L94.9Very high80.6Confident2 Ų272.4 Ų72.41%0.0138%0.378CS..BIsolated β-bridgetrans-64.1158.1160.9-69.9177.6000109.7I41 Y306 P335 I337 N643I41-L321 HydrophobicContact CB-CD2 4.41Å; I41-L321 HydrophobicContact CD1-CD2 3.86Å; I41-L321 HydrophobicContact CD1-CG 4.26Å; I41-L321 HydrophobicContact CG1-CD2 3.9Å; Y306-L321 PolarHBondContact O-N 2.79Å; L321-P335 HydrophobicContact CB-CB 3.96Å; L321-P335 HydrophobicContact CD1-CB 4.29Å; L321-P335 HydrophobicContact CD2-CB 4.18Å; L321-P335 HydrophobicContact CG-CB 4.39Å; L321-I337 HydrophobicContact CD1-CD1 4.36Å; L321-I337 HydrophobicContact CD1-CG1 4.02Å; L321-I337 HydrophobicContact CD2-CG1 4.09Å; L321-I337 HydrophobicContact CG-CG1 4.1Å; L321-N643 HydrophobicContact CD1-CB 4.3Å
322K91.2Very high79.9Confident57 Ų5772.1 Ų72.125%0.24838%0.375CS..  trans-59.4135.7167.4-170.8179.7-179-173.70110Q37 Y38 D39 I331 P335Q37-K322 HydrophobicContact CB-CB 4.17Å; Q37-K322 HydrophobicContact CB-CG 4.47Å; Y38-K322 WeakPolarHBondContact O-CB 3.4Å; Y38-K322 PolarHBondContact O-N 3.38Å; D39-K322 VanDerWaalsContact OD1-CD 3.25Å; D39-K322 WeakPolarHBondContact OD1-CD 3.41Å; D39-K322 IonicContact OD1-NZ 3.95Å; D39-K322 PolarHBondContact OD1-NZ 2.97Å; K322-I331 HydrophobicContact CD-CG2 4.18Å; K322-I331 HydrophobicContact CG-CG2 4.46Å; K322-P335 HydrophobicContact CB-CB 4.36Å; K322-P335 HydrophobicContact CB-CG 3.9Å; K322-P335 WeakPolarHBondContact O-CG 3.37Å
323T81Confident79.6Confident61 Ų6171.5 Ų71.537%0.37437%0.372SS..  trans-134.9150.9177.971.20000108.6Q37Q37-T323 PolarHBondContact NE2-OG1 3.1Å
324N62.4Low79.6Confident59 Ų5971.1 Ų71.132%0.31637%0.371SS..  trans-123.8130.8172.3-152.60.4000108.9I326 I331N324-I326 PolarHBondContact O-N 3.39Å; N324-I326 VanDerWaalsContact O-N 3.11Å; N324-I331 HydrophobicContact CB-CD1 3.49Å; N324-I331 VanDerWaalsContact CB-CD1 3.49Å; N324-I331 HydrophobicContact CB-CG1 3.6Å
325S55.3Low79.8Confident119 Ų11964.4 Ų64.483%0.83234%0.335SS*.SBendtrans-68.7-10.1-171.6-21.30000113.2
326I48.7Very low80Confident127 Ų12759.1 Ų59.165%0.65131%0.311SS*.SBendtrans-131.658.8-166.2-49.9170.7000109.9N324N324-I326 PolarHBondContact O-N 3.39Å; N324-I326 VanDerWaalsContact O-N 3.11Å
327I55.1Low80.1Confident107 Ų10755.7 Ų55.755%0.54929%0.287SS..  trans90.8107.6175.6-46.9154.5000113.4Q329 Q330I327-Q329 HydrophobicContact CG2-CB 3.84Å; I327-Q329 HydrophobicContact CG2-CG 4Å; I327-Q329 PolarHBondContact O-N 2.84Å; I327-Q330 PolarHBondContact O-N 3.32Å
328D54.8Low80.2Confident84 Ų8455.1 Ų55.145%0.44928%0.284SS..G310 helixtrans-56.4-16.6178-81.7-25.4000113.3K296 Q330K296-D328 IonicContact NZ-OD2 2.58Å; K296-D328 PolarHBondContact NZ-OD2 2.58Å; D328-Q330 VanDerWaalsContact C-N 3.33Å; D328-Q330 PolarHBondContact O-N 3.13Å
329Q58.1Low80.2Confident150 Ų15052.7 Ų52.770%0.70127%0.269SS*.G310 helixtrans-73.3-12.5-178.5-62-175.5-13.100115.1I327 H682I327-Q329 HydrophobicContact CG2-CB 3.84Å; I327-Q329 HydrophobicContact CG2-CG 4Å; I327-Q329 PolarHBondContact O-N 2.84Å; Q329-H682 PolarHBondContact O-CE1 3.11Å; Q329-H682 PolarHBondContact O-NE2 3.35Å
330Q66.7Low80.3Confident111 Ų11153 Ų5352%0.51927%0.271SS..G310 helixtrans-100.36.9178.3-71.4-173.4-7.900113.7N82 I327 D328 M686N82-Q330 PolarHBondContact ND2-O 2.84Å; I327-Q330 PolarHBondContact O-N 3.32Å; D328-Q330 VanDerWaalsContact C-N 3.33Å; D328-Q330 PolarHBondContact O-N 3.13Å; Q330-M686 HydrophobicContact CB-CE 4.16Å; Q330-M686 HydrophobicContact CG-CE 4.47Å; Q330-M686 WeakPolarHBondContact O-CE 2.99Å
331I77.8Confident80.4Confident4 Ų449.2 Ų49.22%0.02126%0.257CS..  trans-88.9117.2-177-53.3177.3000109.6K322 N324 P333 P335K322-I331 HydrophobicContact CD-CG2 4.18Å; K322-I331 HydrophobicContact CG-CG2 4.46Å; N324-I331 HydrophobicContact CB-CD1 3.49Å; N324-I331 VanDerWaalsContact CB-CD1 3.49Å; N324-I331 HydrophobicContact CB-CG1 3.6Å; I331-P333 CarbonylContact O-C 3.04Å; I331-P335 HydrophobicContact CG2-CG 3.74Å
332W80.9Confident80.4Confident33 Ų3350 Ų5013%0.12527%0.265CS..SBendtrans-121.7136.2171.6-172.288.1000111.5F60 M63 Y102 N679 L683 M686F60-W332 HydrophobicContact CD1-CH2 4.13Å; F60-W332 AromaticContact CD1-CZ2 3.88Å; F60-W332 HydrophobicContact CD1-CZ2 3.88Å; F60-W332 HydrophobicContact CE1-CH2 4.5Å; F60-W332 AromaticContact CE1-CZ2 3.87Å; F60-W332 HydrophobicContact CE1-CZ2 3.87Å; M63-W332 HydrophobicContact SD-CZ2 3.84Å; Y102-W332 HydrophobicContact CD1-CE3 4.35Å; Y102-W332 AromaticContact CD1-CH2 3.6Å; Y102-W332 HydrophobicContact CD1-CH2 3.6Å; Y102-W332 AromaticContact CD1-CZ3 3.46Å; Y102-W332 HydrophobicContact CD1-CZ3 3.46Å; Y102-W332 VanDerWaalsContact CD1-CZ3 3.46Å; Y102-W332 HydrophobicContact CD2-CE3 4.32Å; Y102-W332 HydrophobicContact CD2-CH2 4.36Å; Y102-W332 AromaticContact CD2-CZ3 3.54Å; Y102-W332 HydrophobicContact CD2-CZ3 3.54Å; Y102-W332 HydrophobicContact CE1-CE3 4.46Å; Y102-W332 HydrophobicContact CE1-CH2 4.38Å; Y102-W332 AromaticContact CE1-CZ3 3.98Å; Y102-W332 HydrophobicContact CE1-CZ3 3.98Å; Y102-W332 HydrophobicContact CE2-CE3 4.45Å; Y102-W332 HydrophobicContact CE2-CZ3 4.07Å; Y102-W332 HydrophobicContact CG-CE3 4.29Å; Y102-W332 AromaticContact CG-CH2 3.59Å; Y102-W332 HydrophobicContact CG-CH2 3.59Å; Y102-W332 AromaticContact CG-CZ3 3.22Å; Y102-W332 HydrophobicContact CG-CZ3 3.22Å; W332-N679 PolarHBondContact NE1-O 3.05Å; W332-L683 HydrophobicContact CD2-CD1 4.12Å; W332-L683 HydrophobicContact CG-CD1 4.12Å; W332-L683 HydrophobicContact CZ2-CD2 4.03Å; W332-M686 HydrophobicContact CB-SD 4.31Å
333P88.6Confident80.7Confident0 Ų047.7 Ų47.70%026%0.256CS..SBendcis-65.4160.5-13.633.1-37.8000111.1D39 F40 F60 Y102 I331 P335 N679D39-P333 HydrophobicContact CB-CG 3.78Å; F40-P333 HydrophobicContact CE2-CB 4.35Å; F40-P333 HydrophobicContact CE2-CG 4.03Å; F40-P333 HydrophobicContact CZ-CB 4.02Å; F40-P333 HydrophobicContact CZ-CG 4.14Å; F60-P333 HydrophobicContact CE1-CB 3.6Å; F60-P333 HydrophobicContact CE1-CG 4.3Å; F60-P333 HydrophobicContact CZ-CB 3.67Å; F60-P333 HydrophobicContact CZ-CG 4.41Å; Y102-P333 HydrophobicContact CE1-CG 3.86Å; Y102-P333 VanDerWaalsContact CZ-CD 3.42Å; Y102-P333 WeakPolarHBondContact OH-CD 3.4Å; I331-P333 CarbonylContact O-C 3.04Å; P333-P335 VanDerWaalsContact O-CD 3.26Å; P333-P335 WeakPolarHBondContact O-CD 3.37Å; P333-N679 WeakPolarHBondContact CA-OD1 3.49Å; P333-N679 WeakPolarHBondContact CB-OD1 3.05Å
334K89.9Confident81.4Confident79 Ų7945.3 Ų45.334%0.34324%0.241SC..PPolyproline II helixtrans-61.1121.5174.8-174.3176.2-178.8177.50109N643 N679K334-N643 WeakPolarHBondContact CE-OD1 3.38Å; K334-N679 PolarHBondContact N-OD1 3.38Å
335P93.8Very high83Confident7 Ų744.3 Ų44.35%0.04523%0.234CC..PPolyproline II helixtrans-71.7131.8-175.9-22.435.9000112.2D39 L321 K322 I331 P333 N643D39-P335 CarbonylContact O-C 3.03Å; D39-P335 WeakPolarHBondContact O-CA 3.34Å; L321-P335 HydrophobicContact CB-CB 3.96Å; L321-P335 HydrophobicContact CD1-CB 4.29Å; L321-P335 HydrophobicContact CD2-CB 4.18Å; L321-P335 HydrophobicContact CG-CB 4.39Å; K322-P335 HydrophobicContact CB-CB 4.36Å; K322-P335 HydrophobicContact CB-CG 3.9Å; K322-P335 WeakPolarHBondContact O-CG 3.37Å; I331-P335 HydrophobicContact CG2-CG 3.74Å; P333-P335 VanDerWaalsContact O-CD 3.26Å; P333-P335 WeakPolarHBondContact O-CD 3.37Å; P335-N643 WeakPolarHBondContact O-CB 3.49Å; P335-N643 PolarHBondContact O-ND2 2.74Å
336E96.6Very high85Confident4 Ų438.6 Ų38.62%0.01919%0.194CC..EExtended strand (participates in β ladder)trans-139.6145.7-177.1-63.5-170.1-158.600113.1D39 F40 I41 L338 R645D39-E336 PolarHBondContact O-N 3.2Å; F40-E336 WeakPolarHBondContact CA-O 3.35Å; F40-E336 HydrophobicContact CD1-CB 4.18Å; F40-E336 HydrophobicContact CE1-CB 4.33Å; I41-E336 PolarHBondContact N-O 3.45Å; I41-E336 VanDerWaalsContact N-O 3.1Å; E336-L338 HydrophobicContact CB-CD2 3.97Å; E336-R645 IonicContact OE1-CZ 3.91Å; E336-R645 IonicContact OE1-NE 2.97Å; E336-R645 IonicContact OE1-NH2 3.96Å; E336-R645 PolarHBondContact OE1-NH2 3.01Å; E336-R645 VanDerWaalsContact OE1-NH2 3.11Å; E336-R645 WeakPolarHBondContact OE2-CD 3.43Å; E336-R645 WeakPolarHBondContact OE2-CG 3.42Å; E336-R645 IonicContact OE2-CZ 3.06Å; E336-R645 IonicContact OE2-NE 2.77Å; E336-R645 PolarHBondContact OE2-NE 3.03Å; E336-R645 IonicContact OE2-NH2 2.73Å
337I98.5Very high87.3Confident0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-93.5128.5165.4-64.5162.9000108.6I41 I293 A305 G307 V308 L321 L339 N643 V644 R645I41-I337 HydrophobicContact CB-CG1 4.27Å; I41-I337 CarbonylContact O-C 3.58Å; I41-I337 VanDerWaalsContact O-CA 3.32Å; I41-I337 WeakPolarHBondContact O-CA 3.22Å; I293-I337 HydrophobicContact CG2-CD1 3.9Å; A305-I337 HydrophobicContact CB-CD1 3.83Å; G307-I337 WeakPolarHBondContact O-CD1 3.41Å; V308-I337 HydrophobicContact CG1-CD1 3.75Å; V308-I337 HydrophobicContact CG1-CG1 4.26Å; V308-I337 HydrophobicContact CG1-CG2 4.16Å; L321-I337 HydrophobicContact CD1-CD1 4.36Å; L321-I337 HydrophobicContact CD1-CG1 4.02Å; L321-I337 HydrophobicContact CD2-CG1 4.09Å; L321-I337 HydrophobicContact CG-CG1 4.1Å; I337-L339 HydrophobicContact CG2-CD2 4.2Å; I337-N643 PolarHBondContact N-O 2.63Å; I337-V644 VanDerWaalsContact O-CA 3.31Å; I337-V644 WeakPolarHBondContact O-CA 3.43Å; I337-R645 PolarHBondContact O-N 2.85Å
338L98.8Very high89.2Confident0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-116.9115.2-178.3-48.3-178.7000108.9F40 I41 I42 A43 I52 L56 E336 R645 L671 I675F40-L338 HydrophobicContact CD1-CD1 4.39Å; I41-L338 PolarHBondContact O-N 3.39Å; I42-L338 CarbonylContact C-O 3.53Å; I42-L338 WeakPolarHBondContact CA-O 3.31Å; I42-L338 HydrophobicContact CD1-CD1 4.44Å; I42-L338 HydrophobicContact CG1-CB 4.24Å; I42-L338 HydrophobicContact CG1-CD1 4.06Å; I42-L338 HydrophobicContact CG1-CG 4.44Å; A43-L338 PolarHBondContact N-O 3.06Å; I52-L338 HydrophobicContact CG2-CD1 3.77Å; L56-L338 HydrophobicContact CD1-CD1 3.62Å; E336-L338 HydrophobicContact CB-CD2 3.97Å; L338-R645 HydrophobicContact CD2-CB 4Å; L338-R645 HydrophobicContact CD2-CG 4.41Å; L338-L671 HydrophobicContact CD1-CD2 4Å; L338-L671 HydrophobicContact CD2-CD2 4.27Å; L338-I675 HydrophobicContact CD1-CD1 3.56Å; L338-I675 HydrophobicContact CD2-CD1 3.44Å; L338-I675 VanDerWaalsContact CD2-CD1 3.44Å; L338-I675 HydrophobicContact CG-CD1 4.18Å
339L98.8Very high91.1Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-89.4125.6175.7-59.5-175.2000110.3A43 I293 I337 T346 I349 L350 R645 V646 G647A43-L339 HydrophobicContact CB-CD2 3.77Å; I293-L339 HydrophobicContact CD1-CD1 3.95Å; I293-L339 HydrophobicContact CD1-CD2 4.27Å; I293-L339 HydrophobicContact CD1-CG 4.34Å; I337-L339 HydrophobicContact CG2-CD2 4.2Å; L339-T346 HydrophobicContact CB-CG2 4.28Å; L339-T346 HydrophobicContact CD1-CG2 4.11Å; L339-I349 HydrophobicContact CD1-CG2 4.37Å; L339-I349 HydrophobicContact CD2-CG2 4.39Å; L339-L350 HydrophobicContact CD1-CD2 3.78Å; L339-L350 HydrophobicContact CD1-CG 4.11Å; L339-R645 PolarHBondContact N-O 2.82Å; L339-V646 HydrophobicContact CB-CG2 4.32Å; L339-V646 HydrophobicContact CD1-CG2 4.37Å; L339-V646 CarbonylContact O-C 3.45Å; L339-V646 WeakPolarHBondContact O-CA 3.12Å; L339-G647 PolarHBondContact O-N 2.97Å
340S98.4Very high92.9Very high7 Ų716.9 Ų16.95%0.0499%0.085CC..  trans-141.842.3172.8173.90000110.6A43 G49 D648A43-S340 CarbonylContact O-C 3.39Å; A43-S340 WeakPolarHBondContact O-CA 3.3Å; A43-S340 PolarHBondContact O-N 3.31Å; G49-S340 WeakPolarHBondContact CA-OG 3.21Å; G49-S340 PolarHBondContact N-OG 3.07Å; S340-D648 VanDerWaalsContact CA-OD2 3.29Å; S340-D648 WeakPolarHBondContact CA-OD2 3.33Å
341V97.3Very high94.2Very high23 Ų2311.7 Ų11.714%0.1396%0.061CC..SBendtrans-92.8-2.6-176.4-610000113.1A43 R162 K345 T346 I349 D648A43-V341 VanDerWaalsContact C-CG1 3.48Å; A43-V341 HydrophobicContact CB-CG1 3.83Å; A43-V341 WeakPolarHBondContact O-CG1 3.37Å; R162-V341 PolarHBondContact NH1-O 3.31Å; V341-K345 HydrophobicContact CB-CB 3.94Å; V341-K345 HydrophobicContact CG2-CB 3.69Å; V341-T346 VanDerWaalsContact CG2-CA 3.47Å; V341-T346 WeakPolarHBondContact CG2-OG1 3.35Å; V341-I349 HydrophobicContact CG1-CD1 4.15Å; V341-I349 HydrophobicContact CG2-CD1 3.76Å; V341-D648 PolarHBondContact N-OD2 2.8Å; V341-D648 VanDerWaalsContact N-OD2 3.1Å
342G96.5Very high94.9Very high17 Ų1714.9 Ų14.918%0.1757%0.072CC..Hα-helixtrans92.6173.217200000114.4V344 K345 T346 D648G342-V344 PolarHBondContact O-N 2.84Å; G342-K345 PolarHBondContact O-N 3.33Å; G342-T346 PolarHBondContact N-OG1 3.38Å; G342-T346 VanDerWaalsContact O-CB 3.3Å; G342-T346 WeakPolarHBondContact O-CB 3.27Å; G342-T346 PolarHBondContact O-N 2.71Å; G342-T346 PolarHBondContact O-OG1 2.83Å; G342-T346 VanDerWaalsContact O-OG1 3.12Å; G342-D648 WeakPolarHBondContact CA-OD2 3.42Å; G342-D648 PolarHBondContact N-OD2 3.34Å
343T96.9Very high95.4Very high10 Ų1013.5 Ų13.56%0.0617%0.068CC..Hα-helixtrans-55.2-28.6-169.2-49.20000115.1P347 L379 I502 L615 T618 A649T343-P347 WeakPolarHBondContact O-CD 3.29Å; T343-P347 WeakPolarHBondContact O-CG 3.4Å; T343-L379 HydrophobicContact CG2-CD1 3.71Å; T343-I502 WeakPolarHBondContact O-CD1 3.35Å; T343-L615 WeakPolarHBondContact CB-O 3.24Å; T343-L615 HydrophobicContact CG2-CB 3.97Å; T343-L615 PolarHBondContact OG1-O 3.38Å; T343-T618 HydrophobicContact CG2-CG2 3.59Å; T343-T618 WeakPolarHBondContact CG2-OG1 3.32Å; T343-T618 WeakPolarHBondContact O-CB 3.42Å; T343-T618 WeakPolarHBondContact O-CG2 3.48Å; T343-T618 PolarHBondContact O-OG1 3.01Å; T343-A649 WeakPolarHBondContact OG1-CB 3.02Å
344V95.9Very high95.5Very high11 Ų1113.6 Ų13.67%0.0677%0.069CC..Hα-helixtrans-89-48.8179.1178.60000112.3G342 P347 I502 V516 I518 L615G342-V344 PolarHBondContact O-N 2.84Å; V344-P347 WeakPolarHBondContact O-CD 3.5Å; V344-P347 VanDerWaalsContact O-CG 3.3Å; V344-P347 WeakPolarHBondContact O-CG 3.41Å; V344-I502 HydrophobicContact CB-CD1 4.13Å; V344-I502 HydrophobicContact CG1-CD1 4.26Å; V344-I502 HydrophobicContact CG2-CD1 4Å; V344-V516 HydrophobicContact CG1-CG2 4.19Å; V344-I518 HydrophobicContact CG1-CD1 3.65Å; V344-I518 HydrophobicContact CG1-CG1 4.16Å; V344-I518 HydrophobicContact CG2-CD1 4Å; V344-L615 HydrophobicContact CG2-CD2 4.25Å
345K95.7Very high95.6Very high37 Ų379.9 Ų9.916%0.1615%0.053CC..Hα-helixtrans-83.4-24.1-171.4-64.3-55.3-175.3-170.40113.6E141 V341 G342 E348 I349E141-K345 WeakPolarHBondContact OE1-CE 3.49Å; E141-K345 IonicContact OE1-NZ 2.91Å; E141-K345 PolarHBondContact OE1-NZ 2.8Å; E141-K345 VanDerWaalsContact OE1-NZ 3.07Å; V341-K345 HydrophobicContact CB-CB 3.94Å; V341-K345 HydrophobicContact CG2-CB 3.69Å; G342-K345 PolarHBondContact O-N 3.33Å; K345-E348 WeakPolarHBondContact CD-OE2 3.31Å; K345-E348 WeakPolarHBondContact CE-OE2 3.3Å; K345-E348 IonicContact NZ-OE1 2.74Å; K345-E348 IonicContact NZ-OE2 2.79Å; K345-E348 PolarHBondContact NZ-OE2 3.3Å; K345-E348 WeakPolarHBondContact O-CB 3.26Å; K345-E348 PolarHBondContact O-N 3.2Å; K345-I349 WeakPolarHBondContact O-CG1 3.34Å; K345-I349 PolarHBondContact O-N 3.43Å
346T97.8Very high95.5Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-65.7-52.9178.3-66.10000111.1L339 V341 G342 E348 I349 L350 C619 V646 D648L339-T346 HydrophobicContact CB-CG2 4.28Å; L339-T346 HydrophobicContact CD1-CG2 4.11Å; V341-T346 VanDerWaalsContact CG2-CA 3.47Å; V341-T346 WeakPolarHBondContact CG2-OG1 3.35Å; G342-T346 PolarHBondContact N-OG1 3.38Å; G342-T346 VanDerWaalsContact O-CB 3.3Å; G342-T346 WeakPolarHBondContact O-CB 3.27Å; G342-T346 PolarHBondContact O-N 2.71Å; G342-T346 PolarHBondContact O-OG1 2.83Å; G342-T346 VanDerWaalsContact O-OG1 3.12Å; T346-E348 VanDerWaalsContact C-N 3.28Å; T346-E348 PolarHBondContact O-N 3.16Å; T346-I349 PolarHBondContact O-N 3.41Å; T346-L350 WeakPolarHBondContact O-CG 3.32Å; T346-L350 PolarHBondContact O-N 3.24Å; T346-L350 VanDerWaalsContact O-N 3.12Å; T346-C619 HydrophobicContact CG2-CB 4.49Å; T346-V646 HydrophobicContact CG2-CG1 3.58Å; T346-V646 HydrophobicContact CG2-CG2 4.21Å; T346-D648 PolarHBondContact OG1-OD2 3.12Å
347P96.3Very high95.2Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-62.8-36175.227.8-37.6000111.6T343 V344 I349 L350 L351 V375 I502 T618T343-P347 WeakPolarHBondContact O-CD 3.29Å; T343-P347 WeakPolarHBondContact O-CG 3.4Å; V344-P347 WeakPolarHBondContact O-CD 3.5Å; V344-P347 VanDerWaalsContact O-CG 3.3Å; V344-P347 WeakPolarHBondContact O-CG 3.41Å; P347-I349 PolarHBondContact O-N 2.81Å; P347-L350 PolarHBondContact O-N 2.94Å; P347-L351 WeakPolarHBondContact O-CB 3.23Å; P347-L351 WeakPolarHBondContact O-CG 3.42Å; P347-L351 PolarHBondContact O-N 2.98Å; P347-V375 HydrophobicContact CB-CG1 3.59Å; P347-I502 HydrophobicContact CG-CB 4.37Å; P347-I502 HydrophobicContact CG-CD1 4.1Å; P347-I502 HydrophobicContact CG-CG2 4.28Å; P347-T618 HydrophobicContact CG-CG2 4.38Å
348E95.2Very high94.4Very high4 Ų412.8 Ų12.82%0.0197%0.074CC..Hα-helixtrans-56.2-49.5175.1178.3-179.6158.100112.3K345 T346 L350 L351 R352 V516K345-E348 WeakPolarHBondContact CD-OE2 3.31Å; K345-E348 WeakPolarHBondContact CE-OE2 3.3Å; K345-E348 IonicContact NZ-OE1 2.74Å; K345-E348 IonicContact NZ-OE2 2.79Å; K345-E348 PolarHBondContact NZ-OE2 3.3Å; K345-E348 WeakPolarHBondContact O-CB 3.26Å; K345-E348 PolarHBondContact O-N 3.2Å; T346-E348 VanDerWaalsContact C-N 3.28Å; T346-E348 PolarHBondContact O-N 3.16Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-L350 PolarHBondContact O-N 3.09Å; E348-L351 PolarHBondContact O-N 3.46Å; E348-R352 WeakPolarHBondContact O-CB 3.23Å; E348-R352 VanDerWaalsContact O-CG 3.3Å; E348-R352 WeakPolarHBondContact O-CG 3.21Å; E348-R352 PolarHBondContact O-N 3.09Å; E348-R352 IonicContact OE1-CZ 2.86Å; E348-R352 IonicContact OE1-NE 3.38Å; E348-R352 PolarHBondContact OE1-NE 2.62Å; E348-R352 IonicContact OE1-NH2 3.48Å; E348-R352 PolarHBondContact OE1-NH2 2.83Å; E348-V516 HydrophobicContact CB-CG1 3.76Å; E348-V516 HydrophobicContact CG-CG1 3.71Å
349I95.8Very high93.6Very high8 Ų820 Ų204%0.04110%0.101CC..Hα-helixtrans-59.7-45.7177-70173.3000110V290 I293 L339 V341 K345 T346 P347 R352 S353V290-I349 HydrophobicContact CB-CD1 3.98Å; V290-I349 HydrophobicContact CG1-CD1 4Å; V290-I349 HydrophobicContact CG1-CG2 4.28Å; I293-I349 HydrophobicContact CD1-CG2 4.4Å; I293-I349 HydrophobicContact CG1-CG2 4.21Å; L339-I349 HydrophobicContact CD1-CG2 4.37Å; L339-I349 HydrophobicContact CD2-CG2 4.39Å; V341-I349 HydrophobicContact CG1-CD1 4.15Å; V341-I349 HydrophobicContact CG2-CD1 3.76Å; K345-I349 WeakPolarHBondContact O-CG1 3.34Å; K345-I349 PolarHBondContact O-N 3.43Å; T346-I349 PolarHBondContact O-N 3.41Å; P347-I349 PolarHBondContact O-N 2.81Å; I349-R352 PolarHBondContact O-N 3.14Å; I349-S353 WeakPolarHBondContact O-CB 3.44Å; I349-S353 PolarHBondContact O-N 2.7Å; I349-S353 PolarHBondContact O-OG 3.24Å
350L95.6Very high92.9Very high0 Ų020.5 Ų20.50%010%0.103CC..Hα-helixtrans-64.5-44.4-179.1-68.1-176.6000112.6I293 L339 T346 P347 E348 R352 S353 G354 V355 V375 V631 I638I293-L350 HydrophobicContact CD1-CD2 4.02Å; L339-L350 HydrophobicContact CD1-CD2 3.78Å; L339-L350 HydrophobicContact CD1-CG 4.11Å; T346-L350 WeakPolarHBondContact O-CG 3.32Å; T346-L350 PolarHBondContact O-N 3.24Å; T346-L350 VanDerWaalsContact O-N 3.12Å; P347-L350 PolarHBondContact O-N 2.94Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-L350 PolarHBondContact O-N 3.09Å; L350-R352 PolarHBondContact O-N 3.24Å; L350-S353 CarbonylContact O-C 3.51Å; L350-S353 WeakPolarHBondContact O-CA 3.32Å; L350-S353 WeakPolarHBondContact O-CB 3.46Å; L350-S353 PolarHBondContact O-N 3.26Å; L350-G354 PolarHBondContact O-N 3.21Å; L350-V355 CarbonylContact C-O 3.47Å; L350-V355 VanDerWaalsContact C-O 3.26Å; L350-V355 HydrophobicContact CB-CB 4.29Å; L350-V355 PolarHBondContact O-N 3.32Å; L350-V375 HydrophobicContact CB-CG1 3.83Å; L350-V375 HydrophobicContact CB-CG2 4.37Å; L350-V375 HydrophobicContact CD1-CG1 4.28Å; L350-V375 HydrophobicContact CD1-CG2 4.17Å; L350-V631 HydrophobicContact CD1-CG1 4.21Å; L350-I638 HydrophobicContact CD1-CD1 3.96Å; L350-I638 HydrophobicContact CD2-CD1 3.41Å; L350-I638 VanDerWaalsContact CD2-CD1 3.41Å; L350-I638 HydrophobicContact CG-CD1 4.34Å
351L93.7Very high92Very high2 Ų221.1 Ų21.11%0.0110%0.104CC..Hα-helixtrans-58.5-47.9176-70.3171.7000110.7P347 E348 S353 G354 E360 Y361 V375 M504P347-L351 WeakPolarHBondContact O-CB 3.23Å; P347-L351 WeakPolarHBondContact O-CG 3.42Å; P347-L351 PolarHBondContact O-N 2.98Å; E348-L351 PolarHBondContact O-N 3.46Å; L351-S353 PolarHBondContact O-N 2.86Å; L351-G354 PolarHBondContact O-N 2.96Å; L351-G354 VanDerWaalsContact O-N 3.09Å; L351-E360 HydrophobicContact CD2-CB 4.09Å; L351-E360 HydrophobicContact CD2-CG 3.78Å; L351-Y361 WeakPolarHBondContact O-CE1 3.39Å; L351-Y361 PolarHBondContact O-OH 3.39Å; L351-V375 HydrophobicContact CD2-CB 4.29Å; L351-V375 HydrophobicContact CD2-CG1 4.13Å; L351-V375 HydrophobicContact CG-CG1 3.94Å; L351-M504 HydrophobicContact CB-CG 3.95Å; L351-M504 HydrophobicContact CB-SD 3.96Å; L351-M504 HydrophobicContact CD1-CG 4.19Å
352R91.8Very high90.9Very high70 Ų7021.4 Ų21.426%0.26411%0.107SC..Hα-helixtrans-64.4-22.9174.1-69.8177.1-175.6-134.817.2113.8E291 K292 E348 I349 L350 G354 M504 G514E291-R352 WeakPolarHBondContact O-CD 3Å; K292-R352 HydrophobicContact CB-CB 4.26Å; E348-R352 WeakPolarHBondContact O-CB 3.23Å; E348-R352 VanDerWaalsContact O-CG 3.3Å; E348-R352 WeakPolarHBondContact O-CG 3.21Å; E348-R352 PolarHBondContact O-N 3.09Å; E348-R352 IonicContact OE1-CZ 2.86Å; E348-R352 IonicContact OE1-NE 3.38Å; E348-R352 PolarHBondContact OE1-NE 2.62Å; E348-R352 IonicContact OE1-NH2 3.48Å; E348-R352 PolarHBondContact OE1-NH2 2.83Å; I349-R352 PolarHBondContact O-N 3.14Å; L350-R352 PolarHBondContact O-N 3.24Å; R352-G354 VanDerWaalsContact C-N 3.29Å; R352-M504 HydrophobicContact CG-CE 4.28Å; R352-M504 HydrophobicContact CG-SD 4.21Å; R352-G514 PolarHBondContact NH2-O 2.93Å
353S92.7Very high89.4Confident5 Ų526.3 Ų26.34%0.03513%0.133CC..THydrogen-bonded Turntrans-85.90.3177.2-50.20000113.1K292 I293 F295 I349 L350 L351 Y370K292-S353 WeakPolarHBondContact CA-OG 3.42Å; K292-S353 WeakPolarHBondContact CB-OG 3.39Å; I293-S353 PolarHBondContact N-OG 2.82Å; F295-S353 WeakPolarHBondContact CE2-O 3.17Å; I349-S353 WeakPolarHBondContact O-CB 3.44Å; I349-S353 PolarHBondContact O-N 2.7Å; I349-S353 PolarHBondContact O-OG 3.24Å; L350-S353 CarbonylContact O-C 3.51Å; L350-S353 WeakPolarHBondContact O-CA 3.32Å; L350-S353 WeakPolarHBondContact O-CB 3.46Å; L350-S353 PolarHBondContact O-N 3.26Å; L351-S353 PolarHBondContact O-N 2.86Å; S353-Y370 VanDerWaalsContact O-CD2 3.26Å; S353-Y370 WeakPolarHBondContact O-CD2 3.38Å; S353-Y370 WeakPolarHBondContact O-CE2 3.39Å
354G90.2Very high87.5Confident2 Ų231.1 Ų31.12%0.02115%0.153CC..THydrogen-bonded Turntrans83.115.9-177.600000114.8L350 L351 R352 Y361 H368 Y370L350-G354 PolarHBondContact O-N 3.21Å; L351-G354 PolarHBondContact O-N 2.96Å; L351-G354 VanDerWaalsContact O-N 3.09Å; R352-G354 VanDerWaalsContact C-N 3.29Å; G354-Y361 VanDerWaalsContact CA-OH 3.26Å; G354-Y361 WeakPolarHBondContact CA-OH 3.3Å; G354-H368 WeakPolarHBondContact CA-O 3.45Å; G354-Y370 PolarHBondContact O-N 3.48Å
355V92Very high86.1Confident0 Ų032.9 Ų32.90%016%0.163CC..BIsolated β-bridgetrans-111.6100.3179.5179.20000108.3F295 L350 Y361 T371 L373 V375 I638F295-V355 HydrophobicContact CE2-CG2 3.64Å; F295-V355 HydrophobicContact CZ-CG2 3.84Å; L350-V355 CarbonylContact C-O 3.47Å; L350-V355 VanDerWaalsContact C-O 3.26Å; L350-V355 HydrophobicContact CB-CB 4.29Å; L350-V355 PolarHBondContact O-N 3.32Å; V355-Y361 PolarHBondContact N-OH 3.44Å; V355-Y361 VanDerWaalsContact N-OH 3.14Å; V355-T371 HydrophobicContact CB-CG2 3.94Å; V355-T371 HydrophobicContact CG1-CG2 3.41Å; V355-T371 VanDerWaalsContact CG1-CG2 3.41Å; V355-T371 HydrophobicContact CG2-CG2 3.99Å; V355-L373 HydrophobicContact CG1-CD1 3.85Å; V355-V375 HydrophobicContact CG1-CG2 4.24Å; V355-V375 WeakPolarHBondContact O-CG2 3.16Å; V355-I638 HydrophobicContact CG1-CG2 4.19Å
356G91.8Very high84.8Confident0 Ų036 Ų360%018%0.178CC..SBendtrans171.4-174.1-178.800000114.8T371 T372 L373G356-T371 PolarHBondContact N-O 3.16Å; G356-T372 WeakPolarHBondContact O-CA 3.34Å; G356-L373 CarbonylContact C-O 3.46Å; G356-L373 VanDerWaalsContact CA-O 3.3Å; G356-L373 WeakPolarHBondContact CA-O 3.47Å
357P89.2Confident83.4Confident15 Ų1544.4 Ų44.410%0.09722%0.217CC..  trans-62147-176.9-23.132.9000112.4R359 E360 Y361 L373 V375P357-R359 HydrophobicContact CB-CG 3.9Å; P357-R359 PolarHBondContact O-N 2.65Å; P357-R359 VanDerWaalsContact O-N 3.08Å; P357-E360 HydrophobicContact CB-CG 4.15Å; P357-E360 HydrophobicContact CG-CG 4.18Å; P357-E360 WeakPolarHBondContact O-CB 3.4Å; P357-E360 PolarHBondContact O-N 3.02Å; P357-Y361 WeakPolarHBondContact O-CD2 3.09Å; P357-L373 WeakPolarHBondContact CD-O 3.31Å; P357-L373 WeakPolarHBondContact CG-O 3.04Å; P357-V375 WeakPolarHBondContact CD-O 3.36Å
358S82.7Confident82Confident58 Ų5849.8 Ų49.841%0.40624%0.242SC..G310 helixtrans-54.8-32.6177.6-59.10000113.5E360 Y361 K369 T372S358-E360 PolarHBondContact O-N 3.26Å; S358-Y361 PolarHBondContact O-N 3.12Å; S358-Y361 VanDerWaalsContact O-N 3.16Å; S358-K369 PolarHBondContact OG-NZ 3.42Å; S358-T372 WeakPolarHBondContact OG-CG2 3.08Å
359R82.3Confident81.1Confident152 Ų15252.2 Ų52.257%0.57425%0.252SS*.G310 helixtrans-66.1-20.3-18064.6175.9-178.3-166.90.5113.8P357 Y361 E377P357-R359 HydrophobicContact CB-CG 3.9Å; P357-R359 PolarHBondContact O-N 2.65Å; P357-R359 VanDerWaalsContact O-N 3.08Å; R359-Y361 PolarHBondContact O-N 3.31Å; R359-E377 IonicContact CZ-OE1 2.61Å; R359-E377 IonicContact NH2-OE1 2.86Å; R359-E377 PolarHBondContact NH2-OE1 3.04Å; R359-E377 IonicContact NH2-OE2 3.61Å; R359-E377 PolarHBondContact NH2-OE2 3.08Å
360E82.2Confident80.2Confident9 Ų955.9 Ų55.94%0.04227%0.266CS..G310 helixtrans-83.23.5177-56-65.6144.700112L351 P357 S358 T503 M504 Y506L351-E360 HydrophobicContact CD2-CB 4.09Å; L351-E360 HydrophobicContact CD2-CG 3.78Å; P357-E360 HydrophobicContact CB-CG 4.15Å; P357-E360 HydrophobicContact CG-CG 4.18Å; P357-E360 WeakPolarHBondContact O-CB 3.4Å; P357-E360 PolarHBondContact O-N 3.02Å; S358-E360 PolarHBondContact O-N 3.26Å; E360-T503 WeakPolarHBondContact OE1-CB 3.15Å; E360-T503 WeakPolarHBondContact OE1-CG2 3.36Å; E360-M504 WeakPolarHBondContact OE2-CB 3.38Å; E360-M504 PolarHBondContact OE2-N 2.93Å; E360-Y506 PolarHBondContact O-OH 3.07Å
361Y79.9Confident79.5Confident20 Ų2057.3 Ų57.38%0.07828%0.275CS..SBendtrans-131.392.6178.4-54-75.3000108.6L351 G354 V355 P357 S358 R359 K369L351-Y361 WeakPolarHBondContact O-CE1 3.39Å; L351-Y361 PolarHBondContact O-OH 3.39Å; G354-Y361 VanDerWaalsContact CA-OH 3.26Å; G354-Y361 WeakPolarHBondContact CA-OH 3.3Å; V355-Y361 PolarHBondContact N-OH 3.44Å; V355-Y361 VanDerWaalsContact N-OH 3.14Å; P357-Y361 WeakPolarHBondContact O-CD2 3.09Å; S358-Y361 PolarHBondContact O-N 3.12Å; S358-Y361 VanDerWaalsContact O-N 3.16Å; R359-Y361 PolarHBondContact O-N 3.31Å; Y361-K369 HydrophobicContact CD2-CB 4.15Å; Y361-K369 HydrophobicContact CD2-CD 3.86Å; Y361-K369 HydrophobicContact CD2-CG 3.73Å; Y361-K369 HydrophobicContact CE2-CG 4.06Å; Y361-K369 HydrophobicContact CG-CB 4.11Å; Y361-K369 HydrophobicContact CG-CD 4.39Å; Y361-K369 HydrophobicContact CG-CG 4.2Å
362P73.6Confident79.2Confident30 Ų3061 Ų6120%0.19530%0.298CS..  trans-51.7156.8171.6-22.330.6000110.7F364 N365 Y506P362-F364 HydrophobicContact CB-CD1 4.19Å; P362-F364 HydrophobicContact CB-CD2 3.98Å; P362-F364 HydrophobicContact CB-CE1 3.61Å; P362-F364 HydrophobicContact CB-CE2 3.38Å; P362-F364 HydrophobicContact CB-CG 4.35Å; P362-F364 HydrophobicContact CB-CZ 3.15Å; P362-F364 HydrophobicContact CG-CE2 3.83Å; P362-F364 HydrophobicContact CG-CZ 3.84Å; P362-F364 PolarHBondContact O-N 3.19Å; P362-N365 PolarHBondContact O-N 2.93Å; P362-Y506 HydrophobicContact CG-CD1 4.49Å; P362-Y506 HydrophobicContact CG-CE1 3.97Å
363V65.6Low79.2Confident120 Ų12058.4 Ų58.473%0.72729%0.289SS*.G310 helixtrans-49.6-38-172.8177.50000112.8N365V363-N365 PolarHBondContact O-N 3.42Å
364F57.8Low79.2Confident110 Ų11059.8 Ų59.848%0.48230%0.298SS..G310 helixtrans-74.7-18.2-179.737.1-90.3000114.9P362 D510P362-F364 HydrophobicContact CB-CD1 4.19Å; P362-F364 HydrophobicContact CB-CD2 3.98Å; P362-F364 HydrophobicContact CB-CE1 3.61Å; P362-F364 HydrophobicContact CB-CE2 3.38Å; P362-F364 HydrophobicContact CB-CG 4.35Å; P362-F364 HydrophobicContact CB-CZ 3.15Å; P362-F364 HydrophobicContact CG-CE2 3.83Å; P362-F364 HydrophobicContact CG-CZ 3.84Å; P362-F364 PolarHBondContact O-N 3.19Å; F364-D510 HydrophobicContact CE2-CB 4.18Å; F364-D510 WeakPolarHBondContact CE2-O 3.36Å; F364-D510 HydrophobicContact CZ-CB 3.53Å
365N67.1Low79.4Confident49 Ų4959.7 Ų59.726%0.26230%0.297SS..G310 helixtrans-103.911.2179.5-76-18.5000113.2P362 V363 E367P362-N365 PolarHBondContact O-N 2.93Å; V363-N365 PolarHBondContact O-N 3.42Å; N365-E367 VanDerWaalsContact C-N 3.29Å; N365-E367 PolarHBondContact O-N 2.98Å
366Q67.8Low79.6Confident103 Ų10359.7 Ų59.748%0.48130%0.297SS..G310 helixtrans-70.1-18.4-175.3-70.4-162.60.800114.7H368 K369Q366-H368 PolarHBondContact O-N 3.44Å; Q366-H368 VanDerWaalsContact O-N 3.07Å; Q366-K369 WeakPolarHBondContact O-CB 3.09Å; Q366-K369 PolarHBondContact O-N 3Å
367E67.1Low79.7Confident176 Ų17662 Ų6282%0.82231%0.308SS*.G310 helixtrans-60.9-19.9179.2-67.4-166.2163.900113.8N365N365-E367 VanDerWaalsContact C-N 3.29Å; N365-E367 PolarHBondContact O-N 2.98Å
368H68.6Low80Confident113 Ų11363.5 Ų63.552%0.52332%0.315SS..G310 helixtrans-106.95.1179.5-62.4-30.7000113.5G354 Q366 Y370G354-H368 WeakPolarHBondContact CA-O 3.45Å; Q366-H368 PolarHBondContact O-N 3.44Å; Q366-H368 VanDerWaalsContact O-N 3.07Å; H368-Y370 VanDerWaalsContact O-CD2 3.28Å; H368-Y370 WeakPolarHBondContact O-CD2 3.45Å; H368-Y370 WeakPolarHBondContact O-CE2 3.48Å
369K76Confident80.6Confident54 Ų5460.9 Ų60.924%0.23530%0.296CS..  trans-80.9123.7174.8-175.6-171.3171.6-161.30109.8S358 Y361 Q366 T372S358-K369 PolarHBondContact OG-NZ 3.42Å; Y361-K369 HydrophobicContact CD2-CB 4.15Å; Y361-K369 HydrophobicContact CD2-CD 3.86Å; Y361-K369 HydrophobicContact CD2-CG 3.73Å; Y361-K369 HydrophobicContact CE2-CG 4.06Å; Y361-K369 HydrophobicContact CG-CB 4.11Å; Y361-K369 HydrophobicContact CG-CD 4.39Å; Y361-K369 HydrophobicContact CG-CG 4.2Å; Q366-K369 WeakPolarHBondContact O-CB 3.09Å; Q366-K369 PolarHBondContact O-N 3Å; K369-T372 WeakPolarHBondContact CE-OG1 3.25Å; K369-T372 PolarHBondContact NZ-OG1 3.1Å
370Y77.2Confident81.3Confident85 Ų8553.8 Ų53.833%0.33327%0.27SS..  trans-108.9-37.6-177.3-64-66.5000113.8F295 L303 S353 G354 H368F295-Y370 HydrophobicContact CB-CE2 4.33Å; F295-Y370 AromaticContact CD2-CD2 3.72Å; F295-Y370 HydrophobicContact CD2-CD2 3.72Å; F295-Y370 AromaticContact CD2-CE2 3.78Å; F295-Y370 HydrophobicContact CD2-CE2 3.78Å; F295-Y370 HydrophobicContact CD2-CG 4.47Å; F295-Y370 HydrophobicContact CE2-CD2 4.36Å; L303-Y370 HydrophobicContact CD1-CD1 3.37Å; L303-Y370 HydrophobicContact CD1-CE1 4.13Å; L303-Y370 HydrophobicContact CD1-CG 3.66Å; L303-Y370 VanDerWaalsContact CD2-CB 3.48Å; L303-Y370 HydrophobicContact CD2-CD1 4.35Å; L303-Y370 HydrophobicContact CD2-CD2 4.2Å; L303-Y370 HydrophobicContact CD2-CG 3.77Å; L303-Y370 HydrophobicContact CG-CD1 4.44Å; L303-Y370 HydrophobicContact CG-CG 4.35Å; S353-Y370 VanDerWaalsContact O-CD2 3.26Å; S353-Y370 WeakPolarHBondContact O-CD2 3.38Å; S353-Y370 WeakPolarHBondContact O-CE2 3.39Å; G354-Y370 PolarHBondContact O-N 3.48Å; H368-Y370 VanDerWaalsContact O-CD2 3.28Å; H368-Y370 WeakPolarHBondContact O-CD2 3.45Å; H368-Y370 WeakPolarHBondContact O-CE2 3.48Å
371T80.5Confident82Confident30 Ų3053.6 Ų53.618%0.18427%0.269CS..BIsolated β-bridgetrans-146.4154.6-179.4-175.60000110.9V355 G356 L373 V641V355-T371 HydrophobicContact CB-CG2 3.94Å; V355-T371 HydrophobicContact CG1-CG2 3.41Å; V355-T371 VanDerWaalsContact CG1-CG2 3.41Å; V355-T371 HydrophobicContact CG2-CG2 3.99Å; G356-T371 PolarHBondContact N-O 3.16Å; T371-L373 HydrophobicContact CG2-CD1 3.94Å; T371-L373 HydrophobicContact CG2-CG 3.9Å; T371-V641 HydrophobicContact CG2-CG2 4.49Å
372T86.8Confident82.9Confident81 Ų8152.7 Ų52.750%0.49727%0.265SS..  trans-106.584177.4-47.30000109.3G356 S358 K369G356-T372 WeakPolarHBondContact O-CA 3.34Å; S358-T372 WeakPolarHBondContact OG-CG2 3.08Å; K369-T372 WeakPolarHBondContact CE-OG1 3.25Å; K369-T372 PolarHBondContact NZ-OG1 3.1Å
373L91.6Very high84.1Confident15 Ų1551.4 Ų51.48%0.07926%0.257CS..  trans-109.2152.4176.3-66.1179.7000110.3V355 G356 P357 T371 V375 V631 I638 I639V355-L373 HydrophobicContact CG1-CD1 3.85Å; G356-L373 CarbonylContact C-O 3.46Å; G356-L373 VanDerWaalsContact CA-O 3.3Å; G356-L373 WeakPolarHBondContact CA-O 3.47Å; P357-L373 WeakPolarHBondContact CD-O 3.31Å; P357-L373 WeakPolarHBondContact CG-O 3.04Å; T371-L373 HydrophobicContact CG2-CD1 3.94Å; T371-L373 HydrophobicContact CG2-CG 3.9Å; L373-V375 HydrophobicContact CB-CG2 3.98Å; L373-V375 PolarHBondContact O-N 2.99Å; L373-V631 HydrophobicContact CD1-CG1 4.31Å; L373-I638 HydrophobicContact CD1-CG2 3.69Å; L373-I639 HydrophobicContact CD2-CB 4.15Å; L373-I639 HydrophobicContact CD2-CG2 4.43Å
374P93.4Very high85.5Confident34 Ų3446.4 Ų46.422%0.22123%0.226CC..  trans-76.944.8178.734.3-36.1000112.4G376 E377 S629 A630 V631P374-G376 PolarHBondContact O-N 3.14Å; P374-E377 HydrophobicContact CB-CB 4.25Å; P374-E377 HydrophobicContact CB-CG 3.97Å; P374-E377 WeakPolarHBondContact O-CB 3.38Å; P374-E377 PolarHBondContact O-N 3.04Å; P374-S629 VanDerWaalsContact CG-C 3.44Å; P374-S629 WeakPolarHBondContact CG-O 3.23Å; P374-A630 WeakPolarHBondContact CD-O 3.48Å; P374-V631 HydrophobicContact CG-CG2 4.1Å
375V95.1Very high87.3Confident0 Ų041.5 Ų41.50%021%0.205CC..THydrogen-bonded Turntrans-62.6132.6177.1176.60000109.4P347 L350 L351 V355 P357 L373 E377 V631P347-V375 HydrophobicContact CB-CG1 3.59Å; L350-V375 HydrophobicContact CB-CG1 3.83Å; L350-V375 HydrophobicContact CB-CG2 4.37Å; L350-V375 HydrophobicContact CD1-CG1 4.28Å; L350-V375 HydrophobicContact CD1-CG2 4.17Å; L351-V375 HydrophobicContact CD2-CB 4.29Å; L351-V375 HydrophobicContact CD2-CG1 4.13Å; L351-V375 HydrophobicContact CG-CG1 3.94Å; V355-V375 HydrophobicContact CG1-CG2 4.24Å; V355-V375 WeakPolarHBondContact O-CG2 3.16Å; P357-V375 WeakPolarHBondContact CD-O 3.36Å; L373-V375 HydrophobicContact CB-CG2 3.98Å; L373-V375 PolarHBondContact O-N 2.99Å; V375-E377 VanDerWaalsContact C-N 3.28Å; V375-V631 HydrophobicContact CG2-CG1 3.76Å; V375-V631 HydrophobicContact CG2-CG2 3.89Å
376G95.4Very high88.4Confident0 Ų039.4 Ų39.40%020%0.195CC..THydrogen-bonded Turntrans88.7-15.7-177.800000113.9P374 N501 I502 T618P374-G376 PolarHBondContact O-N 3.14Å; G376-N501 CarbonylContact O-C 3.32Å; G376-N501 WeakPolarHBondContact O-CA 3.42Å; G376-N501 WeakPolarHBondContact O-CB 3.36Å; G376-I502 VanDerWaalsContact CA-O 3.31Å; G376-I502 WeakPolarHBondContact CA-O 3.35Å; G376-I502 PolarHBondContact O-N 2.93Å; G376-T618 PolarHBondContact N-O 3.41Å
377E94.6Very high89.5Confident48 Ų4834.8 Ų34.822%0.22417%0.173CC..  trans-77.9170.4177.7-55.3-52.1128.700112.7R359 P374 V375 L379 T618R359-E377 IonicContact CZ-OE1 2.61Å; R359-E377 IonicContact NH2-OE1 2.86Å; R359-E377 PolarHBondContact NH2-OE1 3.04Å; R359-E377 IonicContact NH2-OE2 3.61Å; R359-E377 PolarHBondContact NH2-OE2 3.08Å; P374-E377 HydrophobicContact CB-CB 4.25Å; P374-E377 HydrophobicContact CB-CG 3.97Å; P374-E377 WeakPolarHBondContact O-CB 3.38Å; P374-E377 PolarHBondContact O-N 3.04Å; V375-E377 VanDerWaalsContact C-N 3.28Å; E377-L379 VanDerWaalsContact C-N 3.33Å; E377-L379 PolarHBondContact O-N 2.77Å; E377-T618 WeakPolarHBondContact O-CA 3.35Å
378N94.1Very high90.4Very high46 Ų4626.6 Ų26.625%0.24614%0.135CC..  trans57.844.4174.3-168.552.1000111.9H380 R499 G500 G617 S620 S653N378-H380 PolarHBondContact ND2-NE2 2.78Å; N378-H380 PolarHBondContact O-CD2 3.09Å; N378-H380 PolarHBondContact O-N 2.97Å; N378-H380 PolarHBondContact OD1-NE2 2.84Å; N378-R499 VanDerWaalsContact OD1-CD 3.31Å; N378-R499 WeakPolarHBondContact OD1-CD 3.4Å; N378-R499 PolarHBondContact OD1-NE 3.41Å; N378-G500 PolarHBondContact N-O 2.98Å; N378-G617 CarbonylContact O-C 3.5Å; N378-G617 WeakPolarHBondContact O-CA 3.46Å; N378-S620 PolarHBondContact ND2-OG 2.9Å; N378-S653 PolarHBondContact ND2-O 2.68Å
379L96.8Very high91.4Very high3 Ų321.2 Ų21.22%0.01611%0.11CC..BIsolated β-bridgetrans-72.2120.2170.2176.162.5000109T343 E377 G500 I502 I518 P520 L615 T618T343-L379 HydrophobicContact CG2-CD1 3.71Å; E377-L379 VanDerWaalsContact C-N 3.33Å; E377-L379 PolarHBondContact O-N 2.77Å; L379-G500 VanDerWaalsContact CB-C 3.48Å; L379-G500 PolarHBondContact N-O 2.97Å; L379-G500 PolarHBondContact O-N 2.84Å; L379-I502 HydrophobicContact CD2-CG1 4.26Å; L379-I518 HydrophobicContact CD2-CG2 4.06Å; L379-P520 HydrophobicContact CD2-CB 4.38Å; L379-L615 HydrophobicContact CD1-CB 4.05Å; L379-L615 HydrophobicContact CD1-CD2 3.92Å; L379-L615 HydrophobicContact CD1-CG 4.19Å; L379-L615 HydrophobicContact CD2-CD2 4.4Å; L379-T618 HydrophobicContact CB-CG2 4.01Å; L379-T618 HydrophobicContact CD1-CG2 3.79Å; L379-T618 HydrophobicContact CG-CG2 4.44Å
380H95.9Very high91.8Very high4 Ų418.9 Ų18.92%0.01910%0.1CC..BIsolated β-bridgetrans-109157.9169.4-63.2-132.5000109.9N378 R499 L615 V616 S653 I655N378-H380 PolarHBondContact ND2-NE2 2.78Å; N378-H380 PolarHBondContact O-CD2 3.09Å; N378-H380 PolarHBondContact O-N 2.97Å; N378-H380 PolarHBondContact OD1-NE2 2.84Å; H380-R499 PolarHBondContact CE1-NE 2.79Å; H380-R499 PolarHBondContact CE1-NH2 3.44Å; H380-R499 PolarHBondContact NE2-NE 2.81Å; H380-R499 VanDerWaalsContact NE2-NE 3.11Å; H380-L615 CarbonylContact O-C 3.58Å; H380-L615 VanDerWaalsContact O-CA 3.26Å; H380-L615 WeakPolarHBondContact O-CA 3.46Å; H380-V616 HydrophobicContact CB-CG2 3.71Å; H380-V616 PolarHBondContact N-O 3.32Å; H380-V616 PolarHBondContact O-N 3.13Å; H380-S653 PolarHBondContact NE2-O 3.11Å; H380-S653 VanDerWaalsContact NE2-O 3.1Å; H380-I655 HydrophobicContact CB-CB 3.88Å; H380-I655 HydrophobicContact CB-CD1 4.38Å; H380-I655 HydrophobicContact CB-CG2 4.16Å
381D97.9Very high92.2Very high4 Ų415 Ų152%0.0219%0.085CC..  trans-158170.4164-160.5-12.2000108.1P383 P496 Y522 S611 H614 L615D381-P383 WeakPolarHBondContact O-CD 3.15Å; D381-P496 VanDerWaalsContact O-CG 3.25Å; D381-P496 WeakPolarHBondContact O-CG 3.46Å; D381-Y522 HydrophobicContact CB-CE1 3.64Å; D381-Y522 WeakPolarHBondContact CB-OH 3.42Å; D381-Y522 PolarHBondContact OD2-OH 2.55Å; D381-S611 WeakPolarHBondContact OD2-CB 3.41Å; D381-S611 PolarHBondContact OD2-OG 3.25Å; D381-H614 WeakPolarHBondContact OD1-CA 3.42Å; D381-H614 WeakPolarHBondContact OD1-CB 2.99Å; D381-H614 PolarHBondContact OD1-N 3.25Å; D381-L615 HydrophobicContact CB-CG 4.4Å; D381-L615 WeakPolarHBondContact OD2-CD1 3.4Å
382H98.2Very high92.1Very high1 Ų115.5 Ų15.51%0.0059%0.087CC..  trans-94.398.9168.5-66.5140000109.9L493 L494 N612 H614 I655 P656 G658H382-L493 WeakPolarHBondContact CA-O 3.33Å; H382-L493 WeakPolarHBondContact CB-O 3.41Å; H382-L493 PolarHBondContact CD2-O 2.79Å; H382-L494 VanDerWaalsContact CD2-CA 3.43Å; H382-L494 WeakPolarHBondContact CD2-CA 3.46Å; H382-L494 PolarHBondContact CD2-O 3.2Å; H382-L494 VanDerWaalsContact CD2-O 3.29Å; H382-L494 PolarHBondContact NE2-O 3.18Å; H382-N612 HydrophobicContact CB-CB 3.97Å; H382-N612 WeakPolarHBondContact CB-ND2 3.41Å; H382-N612 WeakPolarHBondContact O-CB 3.36Å; H382-N612 PolarHBondContact O-N 3.4Å; H382-N612 VanDerWaalsContact O-N 3.08Å; H382-N612 PolarHBondContact O-ND2 3.43Å; H382-H614 HydrophobicContact CB-CB 4.48Å; H382-H614 AromaticContact CG-ND1 3.86Å; H382-H614 AromaticContact ND1-CG 3.81Å; H382-H614 AromaticContact ND1-ND1 3.09Å; H382-H614 PolarHBondContact ND1-ND1 3.26Å; H382-I655 VanDerWaalsContact CE1-CD1 3.47Å; H382-I655 WeakPolarHBondContact CE1-CD1 3.47Å; H382-I655 WeakPolarHBondContact NE2-CD1 3.26Å; H382-P656 PolarHBondContact CE1-O 3.37Å; H382-P656 PolarHBondContact NE2-O 2.89Å; H382-G658 PolarHBondContact CE1-O 3.19Å
383P97.9Very high91.5Very high3 Ų316.7 Ų16.72%0.0199%0.09CC..EExtended strand (participates in β ladder)trans-65.7142.1172.627.3-31.4000109.8D381 S492 L493 Y522 T609 L610D381-P383 WeakPolarHBondContact O-CD 3.15Å; P383-S492 WeakPolarHBondContact O-CA 3.49Å; P383-L493 HydrophobicContact CG-CB 3.99Å; P383-L493 HydrophobicContact CG-CD2 4.14Å; P383-L493 PolarHBondContact O-N 3.33Å; P383-Y522 HydrophobicContact CB-CD1 4.18Å; P383-Y522 HydrophobicContact CB-CD2 4.24Å; P383-Y522 HydrophobicContact CB-CG 4.05Å; P383-T609 HydrophobicContact CB-CG2 3.67Å; P383-L610 CarbonylContact C-O 3.18Å; P383-L610 WeakPolarHBondContact CA-O 3.45Å
384M96.4Very high90.5Very high15 Ų1516.6 Ų16.67%0.0749%0.092CC..EExtended strand (participates in β ladder)trans-134.7157.4-178.367.4170-168.600113.8L490 I491 L610 S611 N612M384-L490 HydrophobicContact CE-CD2 4.38Å; M384-L490 HydrophobicContact SD-CB 4.35Å; M384-L490 HydrophobicContact SD-CD1 4.15Å; M384-L490 HydrophobicContact SD-CD2 4.04Å; M384-L490 HydrophobicContact SD-CG 4.42Å; M384-I491 CarbonylContact C-O 3.31Å; M384-I491 WeakPolarHBondContact CA-O 3.36Å; M384-I491 WeakPolarHBondContact CB-O 3.38Å; M384-L610 HydrophobicContact CE-CB 3.98Å; M384-L610 HydrophobicContact CE-CD1 4.33Å; M384-L610 HydrophobicContact CG-CB 4.12Å; M384-L610 PolarHBondContact N-O 3.44Å; M384-L610 PolarHBondContact O-N 2.87Å; M384-S611 WeakPolarHBondContact CE-O 3.39Å; M384-N612 WeakPolarHBondContact CB-ND2 3.47Å; M384-N612 PolarHBondContact SD-OD1 2.96Å
385I94.3Very high89.3Confident8 Ų818.5 Ų18.54%0.04110%0.104CC..EExtended strand (participates in β ladder)trans-117.9130.7165.6-58.7-68000108.2I491 I536 V605 I608I385-I491 PolarHBondContact N-O 3.3Å; I385-I491 PolarHBondContact O-N 3.19Å; I385-I536 HydrophobicContact CB-CD1 4.44Å; I385-I536 HydrophobicContact CG1-CD1 4.28Å; I385-I536 HydrophobicContact CG2-CD1 4.45Å; I385-V605 HydrophobicContact CG1-CG2 4.3Å; I385-I608 HydrophobicContact CD1-CG1 4.16Å; I385-I608 HydrophobicContact CG2-CD1 4.26Å
386G91.1Very high88Confident5 Ų518.8 Ų18.85%0.05211%0.105CC..EExtended strand (participates in β ladder)trans-85127.5166.100000110Y474G386-Y474 VanDerWaalsContact C-OH 3.24Å; G386-Y474 WeakPolarHBondContact CA-OH 3.42Å; G386-Y474 WeakPolarHBondContact O-CE2 3.33Å; G386-Y474 PolarHBondContact O-OH 2.88Å
387L89.9Confident86.9Confident5 Ų518.8 Ų18.83%0.02611%0.106CC..EExtended strand (participates in β ladder)trans-111.9120.1169.7-172.771.1000108.6L489 I491 P568 H569 L570L387-L489 HydrophobicContact CB-CB 4.32Å; L387-L489 HydrophobicContact CD2-CD2 4.24Å; L387-L489 PolarHBondContact N-O 2.97Å; L387-L489 PolarHBondContact O-N 3.29Å; L387-I491 HydrophobicContact CB-CD1 4.35Å; L387-P568 HydrophobicContact CD2-CB 3.68Å; L387-P568 HydrophobicContact CG-CB 4.3Å; L387-H569 WeakPolarHBondContact CD1-O 3.47Å; L387-L570 HydrophobicContact CD1-CD2 3.67Å; L387-L570 HydrophobicContact CD1-CG 4.45Å
388I87.7Confident85.6Confident5 Ų517.7 Ų17.73%0.02610%0.102CC..EExtended strand (participates in β ladder)trans-82.4134174.7-48-60.9000108.7Y474 M475 F483 P486 V488 H569I388-Y474 HydrophobicContact CD1-CE1 4.25Å; I388-Y474 HydrophobicContact CG1-CE1 4.12Å; I388-M475 HydrophobicContact CD1-SD 4.26Å; I388-M475 HydrophobicContact CG1-SD 3.93Å; I388-F483 HydrophobicContact CB-CE2 4.44Å; I388-F483 HydrophobicContact CB-CZ 4.34Å; I388-F483 HydrophobicContact CG2-CE1 4.37Å; I388-F483 HydrophobicContact CG2-CE2 3.59Å; I388-F483 HydrophobicContact CG2-CZ 3.37Å; I388-P486 HydrophobicContact CG2-CB 3.98Å; I388-V488 HydrophobicContact CD1-CG1 4.36Å; I388-V488 HydrophobicContact CD1-CG2 3.86Å; I388-H569 WeakPolarHBondContact O-CB 3.32Å; I388-H569 PolarHBondContact O-N 3.32Å
389C87.8Confident84.2Confident0 Ų017.7 Ų17.70%010%0.104CC..EExtended strand (participates in β ladder)trans-128.2133.9177.6-49.20000110.9P486 I487 M543 I566 K567C389-P486 CarbonylContact O-C 3.24Å; C389-P486 WeakPolarHBondContact O-CA 3.2Å; C389-I487 HydrophobicContact CB-CD1 4.22Å; C389-I487 HydrophobicContact CB-CG1 3.69Å; C389-I487 PolarHBondContact N-O 3.08Å; C389-I487 PolarHBondContact O-N 2.93Å; C389-M543 HydrophobicContact CB-CE 4.3Å; C389-I566 HydrophobicContact CB-CG2 3.6Å; C389-K567 CarbonylContact C-O 3.58Å; C389-K567 VanDerWaalsContact CA-O 3.25Å; C389-K567 WeakPolarHBondContact CA-O 3.44Å
390S85.6Confident82.6Confident4 Ų425.3 Ų25.33%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-83.2130.4175.7-64.20000110.6D482 F483 I566 K567S390-D482 VanDerWaalsContact CB-O 3.28Å; S390-D482 WeakPolarHBondContact CB-O 3.41Å; S390-D482 PolarHBondContact OG-O 3.18Å; S390-F483 WeakPolarHBondContact OG-CD2 3.44Å; S390-I566 CarbonylContact O-C 3.55Å; S390-I566 WeakPolarHBondContact O-CA 3.31Å; S390-K567 PolarHBondContact N-O 2.91Å; S390-K567 PolarHBondContact O-N 3.38Å
391V84.4Confident81.3Confident3 Ų326.9 Ų26.92%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-104.3107.7175.2-172.90000110.2T396 N485 I487 I564 I566V391-T396 HydrophobicContact CB-CG2 4.36Å; V391-T396 HydrophobicContact CG2-CG2 4.14Å; V391-N485 HydrophobicContact CB-CB 4.39Å; V391-N485 WeakPolarHBondContact CB-O 3.39Å; V391-N485 PolarHBondContact N-O 3.49Å; V391-I487 HydrophobicContact CG2-CB 4.38Å; V391-I487 HydrophobicContact CG2-CD1 4.22Å; V391-I487 HydrophobicContact CG2-CG1 4.06Å; V391-I487 HydrophobicContact CG2-CG2 3.54Å; V391-I564 HydrophobicContact CG1-CB 4.15Å; V391-I564 HydrophobicContact CG1-CD1 4.29Å; V391-I564 HydrophobicContact CG1-CG2 4.43Å; V391-I566 HydrophobicContact CG1-CG1 4.5Å; V391-I566 HydrophobicContact CG2-CD1 4.5Å; V391-I566 HydrophobicContact CG2-CG1 4.26Å; V391-I566 HydrophobicContact CG2-CG2 4.4Å
392I80.1Confident80.1Confident41 Ų4127 Ų2721%0.2115%0.149CC..EExtended strand (participates in β ladder)trans-85.6137.2175.8-56.2171.7000108.6G394 I564 V565 K567I392-G394 PolarHBondContact O-N 3Å; I392-G394 VanDerWaalsContact O-N 3.16Å; I392-I564 WeakPolarHBondContact O-CA 3.43Å; I392-V565 HydrophobicContact CB-CB 4.24Å; I392-V565 PolarHBondContact N-O 3.28Å; I392-V565 PolarHBondContact O-N 2.82Å; I392-V565 VanDerWaalsContact O-N 3.12Å; I392-K567 HydrophobicContact CD1-CD 3.83Å; I392-K567 VanDerWaalsContact CD1-CE 3.4Å; I392-K567 HydrophobicContact CD1-CG 4.38Å
393N74Confident79Confident107 Ų10729.1 Ų29.157%0.57216%0.162SC*.THydrogen-bonded Turntrans61.910.3-175.5-56.1-32.1000115.3
394G69.6Low78Confident12 Ų1234.3 Ų34.312%0.12419%0.189CC..  trans-104.1175.5172.900000112.3I392 N485I392-G394 PolarHBondContact O-N 3Å; I392-G394 VanDerWaalsContact O-N 3.16Å; G394-N485 PolarHBondContact O-ND2 3.38Å
395T67.8Low77.3Confident74 Ų7438.4 Ų38.445%0.45421%0.211SC..  trans-124.6129.7168.751.80000108.1Y220Y220-T395 WeakPolarHBondContact CB-OG1 3.16Å
396T68.1Low76.6Confident6 Ų639.4 Ų39.44%0.03722%0.215CC..  trans-112169.5172.964.20000110.7I224 V391 T398 S451 N485 P486 I487I224-T396 HydrophobicContact CD1-CG2 4.37Å; V391-T396 HydrophobicContact CB-CG2 4.36Å; V391-T396 HydrophobicContact CG2-CG2 4.14Å; T396-T398 PolarHBondContact O-N 3.44Å; T396-S451 WeakPolarHBondContact CB-O 3.38Å; T396-N485 HydrophobicContact CG2-CB 3.98Å; T396-N485 WeakPolarHBondContact CG2-O 3.49Å; T396-N485 PolarHBondContact N-OD1 3.21Å; T396-N485 VanDerWaalsContact OG1-C 3.25Å; T396-N485 WeakPolarHBondContact OG1-CA 3.01Å; T396-P486 WeakPolarHBondContact CB-O 3.25Å; T396-P486 WeakPolarHBondContact CG2-O 3.43Å; T396-P486 PolarHBondContact OG1-O 3.22Å; T396-I487 HydrophobicContact CG2-CG2 3.43Å; T396-I487 VanDerWaalsContact CG2-CG2 3.43Å
397V72.7Confident76Confident1 Ų140.6 Ų40.61%0.00622%0.22CC..BIsolated β-bridgetrans-75120.9175-168.20000109.2L127 Y220 L417 A423 S451 A452 S453 F455L127-V397 HydrophobicContact CD2-CG1 4.01Å; Y220-V397 HydrophobicContact CE2-CG2 3.9Å; V397-L417 HydrophobicContact CB-CD1 3.96Å; V397-L417 HydrophobicContact CG1-CD1 3.36Å; V397-L417 HydrophobicContact CG1-CD2 3.71Å; V397-L417 HydrophobicContact CG1-CG 3.99Å; V397-L417 HydrophobicContact CG2-CD1 3.31Å; V397-A423 HydrophobicContact CG2-CB 3.96Å; V397-S451 WeakPolarHBondContact CG2-O 3.37Å; V397-S451 PolarHBondContact N-O 2.81Å; V397-A452 HydrophobicContact CB-CB 4.03Å; V397-A452 WeakPolarHBondContact O-CA 3.4Å; V397-S453 PolarHBondContact O-N 3.34Å; V397-F455 HydrophobicContact CB-CE1 4.22Å; V397-F455 HydrophobicContact CB-CZ 3.91Å; V397-F455 HydrophobicContact CG1-CE1 3.48Å; V397-F455 VanDerWaalsContact CG1-CE1 3.48Å; V397-F455 HydrophobicContact CG1-CZ 3.48Å; V397-F455 VanDerWaalsContact CG1-CZ 3.48Å
398T68.1Low75.6Confident24 Ų2445.3 Ų45.315%0.14724%0.24CC..  trans-126.5167.8174.169.40000109.9T396 K400 S401T396-T398 PolarHBondContact O-N 3.44Å; T398-K400 PolarHBondContact O-N 2.95Å; T398-K400 PolarHBondContact OG1-N 2.89Å; T398-S401 PolarHBondContact N-OG 2.77Å; T398-S401 WeakPolarHBondContact O-CA 3.19Å; T398-S401 WeakPolarHBondContact O-CB 3.43Å; T398-S401 PolarHBondContact O-N 2.66Å; T398-S401 PolarHBondContact O-OG 3.46Å; T398-S401 PolarHBondContact OG1-OG 3.37Å
399T62.9Low75.3Confident47 Ų4748 Ų4829%0.28825%0.252SS..G310 helixtrans-57.6-31.9173.351.60000112.4S401 L402 F455T399-S401 PolarHBondContact O-N 2.82Å; T399-L402 PolarHBondContact O-N 3.04Å; T399-F455 WeakPolarHBondContact CG2-O 3.19Å
400K65.2Low75.2Confident163 Ų16348.5 Ų48.571%0.70925%0.254SS*.G310 helixtrans-65.2-25.5174.7-62.2178.1-176.4172.20112.5T398 L402T398-K400 PolarHBondContact O-N 2.95Å; T398-K400 PolarHBondContact OG1-N 2.89Å; K400-L402 VanDerWaalsContact C-N 3.29Å; K400-L402 PolarHBondContact O-N 3.39Å
401S67.4Low75Confident37 Ų3754.7 Ų54.726%0.25928%0.278SS..G310 helixtrans-73.9-17.7178.3-47.20000113T398 T399 T403T398-S401 PolarHBondContact N-OG 2.77Å; T398-S401 WeakPolarHBondContact O-CA 3.19Å; T398-S401 WeakPolarHBondContact O-CB 3.43Å; T398-S401 PolarHBondContact O-N 2.66Å; T398-S401 PolarHBondContact O-OG 3.46Å; T398-S401 PolarHBondContact OG1-OG 3.37Å; T399-S401 PolarHBondContact O-N 2.82Å; S401-T403 VanDerWaalsContact C-N 3.31Å; S401-T403 PolarHBondContact O-N 3.44Å
402L72.1Confident75Confident5 Ų564.3 Ų64.33%0.02631%0.314CS..  trans-78.274.7177.2-63.6177.7000111.6I3 L127 L128 T399 K400 L417 L418I3-L402 HydrophobicContact CG2-CB 4.23Å; L127-L402 HydrophobicContact CD2-CD2 4.05Å; L128-L402 HydrophobicContact CD2-CD1 4.31Å; T399-L402 PolarHBondContact O-N 3.04Å; K400-L402 VanDerWaalsContact C-N 3.29Å; K400-L402 PolarHBondContact O-N 3.39Å; L402-L417 HydrophobicContact CD2-CD2 4.11Å; L402-L418 HydrophobicContact CD2-CD2 3.6Å; L402-L418 HydrophobicContact CD2-CG 4.45Å
403T75.1Confident75.1Confident47 Ų4767.6 Ų67.629%0.28833%0.328SS..  trans-90160.8179.269.70000112.5S401 L405 E406 I407S401-T403 VanDerWaalsContact C-N 3.31Å; S401-T403 PolarHBondContact O-N 3.44Å; T403-L405 PolarHBondContact O-N 2.87Å; T403-L405 PolarHBondContact OG1-N 3.45Å; T403-E406 PolarHBondContact O-N 3.35Å; T403-E406 PolarHBondContact OG1-N 3.48Å; T403-I407 WeakPolarHBondContact O-CG1 3.45Å; T403-I407 PolarHBondContact O-N 3.17Å; T403-I407 VanDerWaalsContact O-N 3.17Å
404L77Confident75.4Confident112 Ų11263.8 Ų63.859%0.58631%0.314SS*.Hα-helixtrans-55.3-33.8171.6-74.6175.8000112.5L4 I407 F408L4-L404 HydrophobicContact CD1-CD2 3.91Å; L4-L404 HydrophobicContact CD2-CD2 4.03Å; L4-L404 HydrophobicContact CD2-CG 4.08Å; L4-L404 HydrophobicContact CG-CD2 4.05Å; L404-I407 HydrophobicContact CD2-CD1 4.09Å; L404-I407 WeakPolarHBondContact O-CB 3.3Å; L404-I407 PolarHBondContact O-N 3.42Å; L404-F408 PolarHBondContact O-N 3.09Å
405L81.6Confident75.8Confident100 Ų10069.3 Ų69.352%0.52434%0.335SS..Hα-helixtrans-65.7-40176.6-177.466.4000111.8T403 I407 F408 K409T403-L405 PolarHBondContact O-N 2.87Å; T403-L405 PolarHBondContact OG1-N 3.45Å; L405-I407 VanDerWaalsContact C-N 3.32Å; L405-F408 PolarHBondContact O-N 3.49Å; L405-K409 WeakPolarHBondContact O-CG 3.49Å; L405-K409 PolarHBondContact O-N 3.47Å
406E80.3Confident76.4Confident29 Ų2966.2 Ų66.214%0.13632%0.318CS..Hα-helixtrans-66.9-35.7176.1-70.9-54.9126.500111.9T403 F408 K409 Y410 G416 L417T403-E406 PolarHBondContact O-N 3.35Å; T403-E406 PolarHBondContact OG1-N 3.48Å; E406-F408 VanDerWaalsContact C-N 3.35Å; E406-K409 PolarHBondContact O-N 3.35Å; E406-K409 WeakPolarHBondContact OE1-CD 3.3Å; E406-K409 IonicContact OE1-NZ 3.1Å; E406-K409 PolarHBondContact OE1-NZ 3.08Å; E406-Y410 WeakPolarHBondContact O-CB 2.96Å; E406-Y410 PolarHBondContact O-N 3.1Å; E406-G416 WeakPolarHBondContact OE2-CA 3.47Å; E406-L417 HydrophobicContact CG-CB 4.18Å; E406-L417 WeakPolarHBondContact OE2-CB 3.46Å; E406-L417 PolarHBondContact OE2-N 3.24Å
407I77.7Confident76.9Confident30 Ų3066.3 Ų66.315%0.15432%0.318CS..Hα-helixtrans-61.2-46171-57170.9000110.4I3 T403 L404 L405 Y410 Y411 L418I3-I407 HydrophobicContact CB-CD1 3.63Å; I3-I407 HydrophobicContact CB-CG1 4.37Å; I3-I407 HydrophobicContact CD1-CD1 3.71Å; I3-I407 HydrophobicContact CD1-CG1 3.66Å; I3-I407 HydrophobicContact CD1-CG2 4.27Å; I3-I407 HydrophobicContact CG1-CD1 4.22Å; I3-I407 HydrophobicContact CG2-CD1 3.58Å; I3-I407 HydrophobicContact CG2-CG1 4.03Å; T403-I407 WeakPolarHBondContact O-CG1 3.45Å; T403-I407 PolarHBondContact O-N 3.17Å; T403-I407 VanDerWaalsContact O-N 3.17Å; L404-I407 HydrophobicContact CD2-CD1 4.09Å; L404-I407 WeakPolarHBondContact O-CB 3.3Å; L404-I407 PolarHBondContact O-N 3.42Å; L405-I407 VanDerWaalsContact C-N 3.32Å; I407-Y410 WeakPolarHBondContact O-CB 3.21Å; I407-Y410 PolarHBondContact O-N 2.9Å; I407-Y411 HydrophobicContact CG2-CD2 3.82Å; I407-Y411 HydrophobicContact CG2-CE2 4.01Å; I407-Y411 WeakPolarHBondContact O-CD2 3.13Å; I407-Y411 PolarHBondContact O-N 3.16Å; I407-Y411 VanDerWaalsContact O-N 3.07Å; I407-L418 HydrophobicContact CB-CD1 4.42Å; I407-L418 HydrophobicContact CG1-CD1 4.1Å
408F82.2Confident77.4Confident104 Ų10466.3 Ų66.346%0.45632%0.318SS..Hα-helixtrans-62.4-47.9178.3179.8-95.4000112.1L404 L405 E406 Y410 Y411 W412L404-F408 PolarHBondContact O-N 3.09Å; L405-F408 PolarHBondContact O-N 3.49Å; E406-F408 VanDerWaalsContact C-N 3.35Å; F408-Y410 PolarHBondContact O-N 3.46Å; F408-Y411 PolarHBondContact O-N 2.96Å; F408-W412 HydrophobicContact CE1-CB 4.26Å; F408-W412 HydrophobicContact CE2-CB 4.19Å; F408-W412 HydrophobicContact CE2-CD2 4.2Å; F408-W412 HydrophobicContact CE2-CE3 4.27Å; F408-W412 HydrophobicContact CE2-CG 4.17Å; F408-W412 HydrophobicContact CZ-CB 4.02Å; F408-W412 HydrophobicContact CZ-CD2 4.35Å; F408-W412 AromaticContact CZ-CG 3.96Å; F408-W412 HydrophobicContact CZ-CG 3.96Å; F408-W412 VanDerWaalsContact O-CB 3.32Å; F408-W412 WeakPolarHBondContact O-CB 3.46Å; F408-W412 PolarHBondContact O-N 3.24Å
409K82Confident78.1Confident63 Ų6366 Ų6627%0.27432%0.317SS..Hα-helixtrans-56.2-41.1175.7-73.7175.8-174.7168.20111.6L405 E406 Q413 G414 K415L405-K409 WeakPolarHBondContact O-CG 3.49Å; L405-K409 PolarHBondContact O-N 3.47Å; E406-K409 PolarHBondContact O-N 3.35Å; E406-K409 WeakPolarHBondContact OE1-CD 3.3Å; E406-K409 IonicContact OE1-NZ 3.1Å; E406-K409 PolarHBondContact OE1-NZ 3.08Å; K409-Q413 CarbonylContact O-C 3.58Å; K409-Q413 WeakPolarHBondContact O-CA 3.42Å; K409-Q413 WeakPolarHBondContact O-CB 3.48Å; K409-Q413 PolarHBondContact O-N 3.01Å; K409-G414 PolarHBondContact O-N 3.05Å; K409-K415 CarbonylContact C-O 3.58Å; K409-K415 PolarHBondContact O-N 2.88Å
410Y84.8Confident79Confident10 Ų1064.1 Ų64.14%0.03931%0.305CS..Hα-helixtrans-63.4-57.1179.1178.3-97.8000112I125 A261 E406 I407 F408 W412 G414 K415 L418I125-Y410 HydrophobicContact CD1-CE1 4.27Å; I125-Y410 HydrophobicContact CG1-CE1 3.66Å; I125-Y410 HydrophobicContact CG2-CE1 4.47Å; I125-Y410 HydrophobicContact CG2-CE2 4.29Å; A261-Y410 HydrophobicContact CB-CE2 4.13Å; A261-Y410 VanDerWaalsContact O-CE2 3.31Å; A261-Y410 WeakPolarHBondContact O-CE2 3.44Å; A261-Y410 PolarHBondContact O-OH 3.47Å; E406-Y410 WeakPolarHBondContact O-CB 2.96Å; E406-Y410 PolarHBondContact O-N 3.1Å; I407-Y410 WeakPolarHBondContact O-CB 3.21Å; I407-Y410 PolarHBondContact O-N 2.9Å; F408-Y410 PolarHBondContact O-N 3.46Å; Y410-W412 PolarHBondContact O-N 2.82Å; Y410-G414 VanDerWaalsContact O-CA 3.3Å; Y410-G414 WeakPolarHBondContact O-CA 3.43Å; Y410-G414 PolarHBondContact O-N 3.49Å; Y410-K415 VanDerWaalsContact CA-O 3.27Å; Y410-K415 WeakPolarHBondContact CA-O 3.5Å; Y410-K415 PolarHBondContact N-O 3.31Å; Y410-K415 VanDerWaalsContact N-O 3.16Å; Y410-L418 HydrophobicContact CD2-CB 3.56Å; Y410-L418 HydrophobicContact CE2-CB 4.25Å; Y410-L418 HydrophobicContact CG-CB 3.77Å; Y410-L418 HydrophobicContact CG-CD1 4.13Å
411Y82.9Confident79.8Confident133 Ų13356.5 Ų56.552%0.52227%0.272SS..Hα-helixtrans-69.5-34.3-174.9-83.3-75.1000113.3I407 F408I407-Y411 HydrophobicContact CG2-CD2 3.82Å; I407-Y411 HydrophobicContact CG2-CE2 4.01Å; I407-Y411 WeakPolarHBondContact O-CD2 3.13Å; I407-Y411 PolarHBondContact O-N 3.16Å; I407-Y411 VanDerWaalsContact O-N 3.07Å; F408-Y411 PolarHBondContact O-N 2.96Å
412W83.9Confident80.2Confident205 Ų20555.4 Ų55.478%0.77727%0.265SS*.Hα-helixtrans-96.2-26.2-173.7-142.3-87.4000114.1F408 Y410F408-W412 HydrophobicContact CE1-CB 4.26Å; F408-W412 HydrophobicContact CE2-CB 4.19Å; F408-W412 HydrophobicContact CE2-CD2 4.2Å; F408-W412 HydrophobicContact CE2-CE3 4.27Å; F408-W412 HydrophobicContact CE2-CG 4.17Å; F408-W412 HydrophobicContact CZ-CB 4.02Å; F408-W412 HydrophobicContact CZ-CD2 4.35Å; F408-W412 AromaticContact CZ-CG 3.96Å; F408-W412 HydrophobicContact CZ-CG 3.96Å; F408-W412 VanDerWaalsContact O-CB 3.32Å; F408-W412 WeakPolarHBondContact O-CB 3.46Å; F408-W412 PolarHBondContact O-N 3.24Å; Y410-W412 PolarHBondContact O-N 2.82Å
413Q82.2Confident80.7Confident111 Ų11155.2 Ų55.252%0.51926%0.264SS..Hα-helixtrans-118.5-9.8-175.4-51.8179.1-14.800113.4K409 K415K409-Q413 CarbonylContact O-C 3.58Å; K409-Q413 WeakPolarHBondContact O-CA 3.42Å; K409-Q413 WeakPolarHBondContact O-CB 3.48Å; K409-Q413 PolarHBondContact O-N 3.01Å; Q413-K415 HydrophobicContact CB-CB 4.19Å; Q413-K415 HydrophobicContact CB-CG 4.49Å; Q413-K415 WeakPolarHBondContact O-CG 3.34Å; Q413-K415 PolarHBondContact O-N 3.01Å
414G79Confident81.3Confident27 Ų2753 Ų5328%0.27825%0.25SS..SBendtrans59.432.8-172.100000112A261 K409 Y410A261-G414 WeakPolarHBondContact CB-O 3.49Å; K409-G414 PolarHBondContact O-N 3.05Å; Y410-G414 VanDerWaalsContact O-CA 3.3Å; Y410-G414 WeakPolarHBondContact O-CA 3.43Å; Y410-G414 PolarHBondContact O-N 3.49Å
415K79.7Confident81.9Confident128 Ų12847.7 Ų47.756%0.55722%0.222SC*.  trans-138.7170.8-174.3-72.1179.9-176-178.60110.7K409 Y410 Q413K409-K415 CarbonylContact C-O 3.58Å; K409-K415 PolarHBondContact O-N 2.88Å; Y410-K415 VanDerWaalsContact CA-O 3.27Å; Y410-K415 WeakPolarHBondContact CA-O 3.5Å; Y410-K415 PolarHBondContact N-O 3.31Å; Y410-K415 VanDerWaalsContact N-O 3.16Å; Q413-K415 HydrophobicContact CB-CB 4.19Å; Q413-K415 HydrophobicContact CB-CG 4.49Å; Q413-K415 WeakPolarHBondContact O-CG 3.34Å; Q413-K415 PolarHBondContact O-N 3.01Å
416G78.7Confident82.4Confident9 Ų943 Ų439%0.09320%0.197CC..SBendtrans101.9-167.1173.500000112.2E406 L418 S419E406-G416 WeakPolarHBondContact OE2-CA 3.47Å; G416-L418 PolarHBondContact O-N 3.5Å; G416-S419 PolarHBondContact O-N 2.87Å; G416-S419 PolarHBondContact O-OG 3.35Å
417L79.9Confident83.1Confident7 Ų741.7 Ų41.74%0.03719%0.192CC..G310 helixtrans-63.4-43.3-170.4171.259.9000112.6L127 Y220 V397 L402 E406 S419 Q420L127-L417 HydrophobicContact CD2-CD1 3.66Å; L127-L417 HydrophobicContact CD2-CD2 4.16Å; L127-L417 HydrophobicContact CD2-CG 3.48Å; L127-L417 VanDerWaalsContact CD2-CG 3.48Å; L127-L417 WeakPolarHBondContact CD2-O 3.39Å; Y220-L417 WeakPolarHBondContact OH-CD1 3.26Å; V397-L417 HydrophobicContact CB-CD1 3.96Å; V397-L417 HydrophobicContact CG1-CD1 3.36Å; V397-L417 HydrophobicContact CG1-CD2 3.71Å; V397-L417 HydrophobicContact CG1-CG 3.99Å; V397-L417 HydrophobicContact CG2-CD1 3.31Å; L402-L417 HydrophobicContact CD2-CD2 4.11Å; E406-L417 HydrophobicContact CG-CB 4.18Å; E406-L417 WeakPolarHBondContact OE2-CB 3.46Å; E406-L417 PolarHBondContact OE2-N 3.24Å; L417-S419 PolarHBondContact O-N 3.17Å; L417-S419 VanDerWaalsContact O-N 3.17Å; L417-Q420 WeakPolarHBondContact O-CB 3.44Å; L417-Q420 WeakPolarHBondContact O-CG 3.36Å; L417-Q420 PolarHBondContact O-N 3.33Å; L417-Q420 VanDerWaalsContact O-N 3.08Å
418L83.1Confident83.9Confident1 Ų140.3 Ų40.31%0.00518%0.184CC..G310 helixtrans-63.9-21.6-177.3-69.7173.9000113.9I3 I125 P126 L127 L128 L402 I407 Y410 G416 Q420I3-L418 HydrophobicContact CD1-CD1 4.35Å; I125-L418 HydrophobicContact CG2-CB 3.87Å; I125-L418 HydrophobicContact CG2-CD2 4.02Å; I125-L418 HydrophobicContact CG2-CG 4.41Å; P126-L418 WeakPolarHBondContact CD-O 3.3Å; L127-L418 HydrophobicContact CB-CD2 4.47Å; L127-L418 HydrophobicContact CD2-CD2 4.34Å; L127-L418 PolarHBondContact N-O 2.96Å; L128-L418 HydrophobicContact CD1-CD2 4.3Å; L128-L418 HydrophobicContact CD2-CD2 3.89Å; L128-L418 HydrophobicContact CG-CD2 3.99Å; L402-L418 HydrophobicContact CD2-CD2 3.6Å; L402-L418 HydrophobicContact CD2-CG 4.45Å; I407-L418 HydrophobicContact CB-CD1 4.42Å; I407-L418 HydrophobicContact CG1-CD1 4.1Å; Y410-L418 HydrophobicContact CD2-CB 3.56Å; Y410-L418 HydrophobicContact CE2-CB 4.25Å; Y410-L418 HydrophobicContact CG-CB 3.77Å; Y410-L418 HydrophobicContact CG-CD1 4.13Å; G416-L418 PolarHBondContact O-N 3.5Å; L418-Q420 VanDerWaalsContact C-N 3.27Å; L418-Q420 PolarHBondContact O-N 2.95Å
419S83.3Confident84.6Confident19 Ų1935.8 Ų35.813%0.13316%0.164CC..G310 helixtrans-81.1-4.3177.673.70000113.5G416 L417G416-S419 PolarHBondContact O-N 2.87Å; G416-S419 PolarHBondContact O-OG 3.35Å; L417-S419 PolarHBondContact O-N 3.17Å; L417-S419 VanDerWaalsContact O-N 3.17Å
420Q81.2Confident85.3Confident6 Ų633.7 Ų33.73%0.02816%0.155CC..SBendtrans-77.8122.3179.3-65.6-65.3-72.600110.7L127 R216 L218 N221 L417 L418 S422L127-Q420 PolarHBondContact N-O 3.4Å; R216-Q420 PolarHBondContact O-NE2 2.84Å; R216-Q420 PolarHBondContact O-OE1 2.92Å; L218-Q420 HydrophobicContact CD1-CG 3.43Å; L218-Q420 VanDerWaalsContact CD1-CG 3.43Å; L218-Q420 HydrophobicContact CG-CG 4.09Å; N221-Q420 PolarHBondContact ND2-OE1 3.38Å; L417-Q420 WeakPolarHBondContact O-CB 3.44Å; L417-Q420 WeakPolarHBondContact O-CG 3.36Å; L417-Q420 PolarHBondContact O-N 3.33Å; L417-Q420 VanDerWaalsContact O-N 3.08Å; L418-Q420 VanDerWaalsContact C-N 3.27Å; L418-Q420 PolarHBondContact O-N 2.95Å; Q420-S422 PolarHBondContact O-N 3.11Å
421A81.6Confident85.9Confident4 Ų436.3 Ų36.33%0.03317%0.165CC..G310 helixtrans-62.9103.5173.700000110.5M175 I215 V256 V258 A423 L424M175-A421 HydrophobicContact CE-CB 3.85Å; M175-A421 HydrophobicContact SD-CB 4.32Å; I215-A421 HydrophobicContact CG2-CB 4.45Å; V256-A421 HydrophobicContact CB-CB 4.14Å; V256-A421 HydrophobicContact CG1-CB 3.86Å; V256-A421 HydrophobicContact CG2-CB 4.1Å; V258-A421 HydrophobicContact CG2-CB 3.93Å; A421-A423 PolarHBondContact O-N 3.3Å; A421-L424 WeakPolarHBondContact O-CB 3.44Å; A421-L424 WeakPolarHBondContact O-CG 3.5Å; A421-L424 PolarHBondContact O-N 2.77Å
422S76.6Confident86.7Confident14 Ų1430 Ų3010%0.09814%0.14CC..G310 helixtrans50.326.1177.8-60.40000114.9A174 M175 Q420 L424 I450A174-S422 WeakPolarHBondContact CA-OG 3.31Å; M175-S422 WeakPolarHBondContact CE-OG 3.36Å; Q420-S422 PolarHBondContact O-N 3.11Å; S422-L424 PolarHBondContact O-N 3.29Å; S422-L424 VanDerWaalsContact O-N 3.15Å; S422-I450 WeakPolarHBondContact O-CG2 3.41Å
423A81.6Confident87.3Confident0 Ų022.9 Ų22.90%012%0.121CC..G310 helixtrans50.231.4-170.300000114.2L127 V397 A421 I450 S451 A452L127-A423 HydrophobicContact CD1-CB 4.03Å; V397-A423 HydrophobicContact CG2-CB 3.96Å; A421-A423 PolarHBondContact O-N 3.3Å; A423-I450 HydrophobicContact CB-CG2 4.46Å; A423-S451 PolarHBondContact O-N 3.49Å; A423-S451 PolarHBondContact O-OG 3.43Å; A423-A452 HydrophobicContact CB-CB 3.68Å
424L88Confident88Confident2 Ų221 Ų211%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-64.9140.4175.5-71.5162.8000110.5I176 I215 P254 V256 A421 S422 T448 I450I176-L424 HydrophobicContact CD1-CD1 3.96Å; I176-L424 HydrophobicContact CD1-CD2 4.1Å; I176-L424 HydrophobicContact CG1-CD1 3.49Å; I176-L424 VanDerWaalsContact CG1-CD1 3.49Å; I215-L424 HydrophobicContact CD1-CB 4.45Å; I215-L424 WeakPolarHBondContact CD1-O 3.36Å; P254-L424 HydrophobicContact CG-CB 4.41Å; V256-L424 HydrophobicContact CG1-CD1 4.25Å; A421-L424 WeakPolarHBondContact O-CB 3.44Å; A421-L424 WeakPolarHBondContact O-CG 3.5Å; A421-L424 PolarHBondContact O-N 2.77Å; S422-L424 PolarHBondContact O-N 3.29Å; S422-L424 VanDerWaalsContact O-N 3.15Å; L424-T448 HydrophobicContact CD2-CG2 3.36Å; L424-I450 HydrophobicContact CD2-CG1 3.97Å
425T88.8Confident88.9Confident0 Ų019.9 Ų19.90%010%0.098CC..EExtended strand (participates in β ladder)trans-117.5-43.3173.565.60000112.2I215 H217 N221 I224 V449 S451I215-T425 WeakPolarHBondContact CD1-O 3.12Å; H217-T425 PolarHBondContact NE2-O 2.86Å; N221-T425 HydrophobicContact CB-CG2 3.8Å; I224-T425 HydrophobicContact CB-CG2 4.39Å; I224-T425 HydrophobicContact CG2-CG2 4.25Å; T425-V449 PolarHBondContact N-O 2.75Å; T425-V449 WeakPolarHBondContact OG1-CB 3.29Å; T425-V449 WeakPolarHBondContact OG1-CG1 3.4Å; T425-V449 PolarHBondContact OG1-O 2.83Å; T425-S451 VanDerWaalsContact CG2-CB 3.47Å; T425-S451 WeakPolarHBondContact CG2-OG 3.5Å
426S92.4Very high89.7Confident0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-154.3150.8-171.2-39.20000110.1H225 V449H225-S426 WeakPolarHBondContact CA-OG 3.47Å; H225-S426 PolarHBondContact ND1-OG 3.09Å; S426-V449 PolarHBondContact O-N 3.1Å
427I95Very high90.6Very high3 Ų324.6 Ų24.62%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-120.5128.6162.2-63.2-179.8000108.1I176 T252 P254 Y429 Q446 Y447 T448I176-I427 HydrophobicContact CD1-CD1 4.19Å; I176-I427 HydrophobicContact CG2-CD1 3.69Å; T252-I427 HydrophobicContact CG2-CB 4.49Å; T252-I427 PolarHBondContact N-O 2.82Å; T252-I427 PolarHBondContact O-N 2.85Å; T252-I427 VanDerWaalsContact O-N 3.1Å; P254-I427 HydrophobicContact CB-CD1 3.72Å; P254-I427 HydrophobicContact CB-CG1 3.91Å; P254-I427 HydrophobicContact CG-CG1 4.35Å; I427-Y429 HydrophobicContact CB-CE2 4.49Å; I427-Y429 HydrophobicContact CG2-CD2 4.24Å; I427-Y429 HydrophobicContact CG2-CE1 4.21Å; I427-Y429 HydrophobicContact CG2-CE2 3.56Å; I427-Q446 HydrophobicContact CG2-CG 3.64Å; I427-Y447 CarbonylContact C-O 3.59Å; I427-Y447 VanDerWaalsContact CA-O 3.3Å; I427-Y447 WeakPolarHBondContact CA-O 3.18Å; I427-T448 HydrophobicContact CG1-CG2 4.43Å
428G95.7Very high91.3Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-111141.5174.700000110.9G250 Q446 Y447G250-G428 CarbonylContact O-C 3.54Å; G250-G428 WeakPolarHBondContact O-CA 3.32Å; G428-Q446 CarbonylContact O-C 3.54Å; G428-Q446 WeakPolarHBondContact O-CA 3.48Å; G428-Y447 PolarHBondContact N-O 2.84Å; G428-Y447 PolarHBondContact O-N 2.98Å
429Y97Very high91.9Very high9 Ų932 Ų324%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-121.6131.7176.8-68.7-73.8000109.2S247 F248 G250 T252 I427 P443 I445 Q446 L494S247-Y429 PolarHBondContact OG-OH 3.25Å; F248-Y429 WeakPolarHBondContact O-CB 3.33Å; G250-Y429 PolarHBondContact N-O 3.27Å; G250-Y429 PolarHBondContact O-N 3.21Å; T252-Y429 HydrophobicContact CG2-CE2 4.42Å; I427-Y429 HydrophobicContact CB-CE2 4.49Å; I427-Y429 HydrophobicContact CG2-CD2 4.24Å; I427-Y429 HydrophobicContact CG2-CE1 4.21Å; I427-Y429 HydrophobicContact CG2-CE2 3.56Å; Y429-P443 HydrophobicContact CD1-CB 4.23Å; Y429-P443 HydrophobicContact CD1-CG 3.8Å; Y429-P443 HydrophobicContact CG-CB 4.43Å; Y429-P443 HydrophobicContact CG-CG 4.05Å; Y429-I445 WeakPolarHBondContact CA-O 3.42Å; Y429-Q446 HydrophobicContact CD1-CB 4.31Å; Y429-Q446 HydrophobicContact CD1-CG 4.26Å; Y429-Q446 HydrophobicContact CE1-CB 4.12Å; Y429-Q446 HydrophobicContact CE1-CG 3.76Å; Y429-Q446 VanDerWaalsContact CE1-OE1 3.25Å; Y429-Q446 PolarHBondContact OH-OE1 2.97Å; Y429-L494 HydrophobicContact CD1-CD1 3.73Å; Y429-L494 HydrophobicContact CE1-CD1 3.8Å
430Y97Very high92.4Very high20 Ų2032.7 Ų32.78%0.07818%0.177CC..EExtended strand (participates in β ladder)trans-132.9137.7-177.6172.7-106.9000110.1L237 T432 D444 I445 Y447 E534 W538L237-Y430 HydrophobicContact CD1-CD2 4.22Å; Y430-T432 HydrophobicContact CD1-CG2 4.22Å; Y430-T432 HydrophobicContact CE1-CG2 3.93Å; Y430-D444 PolarHBondContact O-N 2.63Å; Y430-I445 HydrophobicContact CD1-CB 4.23Å; Y430-I445 HydrophobicContact CD1-CG1 4.25Å; Y430-I445 PolarHBondContact N-O 3.25Å; Y430-I445 PolarHBondContact O-N 3.1Å; Y430-Y447 HydrophobicContact CG-CE2 4.39Å; Y430-E534 PolarHBondContact OH-OE1 3.1Å; Y430-W538 HydrophobicContact CD2-CD2 4.06Å; Y430-W538 AromaticContact CD2-CE2 3.89Å; Y430-W538 HydrophobicContact CD2-CE3 4.47Å; Y430-W538 HydrophobicContact CD2-CG 4.43Å; Y430-W538 HydrophobicContact CD2-CZ2 4.17Å; Y430-W538 HydrophobicContact CE1-CB 4.3Å; Y430-W538 HydrophobicContact CE1-CG 4.2Å; Y430-W538 AromaticContact CE2-CD1 3.62Å; Y430-W538 AromaticContact CE2-CD2 3.98Å; Y430-W538 HydrophobicContact CE2-CD2 3.98Å; Y430-W538 AromaticContact CE2-CE2 3.73Å; Y430-W538 AromaticContact CE2-CG 3.94Å; Y430-W538 HydrophobicContact CE2-CG 3.94Å; Y430-W538 HydrophobicContact CE2-CZ2 4.37Å; Y430-W538 AromaticContact CE2-NE1 3.5Å; Y430-W538 HydrophobicContact CG-CD2 4.44Å; Y430-W538 AromaticContact CZ-CD1 3.62Å; Y430-W538 AromaticContact CZ-CG 3.82Å
431R97.4Very high93.1Very high65 Ų6534.2 Ų34.225%0.24519%0.188CC..  trans-97.6119.6167.7-75.2-174.9-63.3170.1-0.8109.9E249 Q435 K436 D440 S441 R442 P443 D444E249-R431 WeakPolarHBondContact OE1-CB 3.5Å; E249-R431 PolarHBondContact OE1-N 2.92Å; E249-R431 IonicContact OE1-NE 3.95Å; E249-R431 IonicContact OE2-CZ 3.74Å; E249-R431 VanDerWaalsContact OE2-CZ 3.25Å; E249-R431 IonicContact OE2-NE 3Å; E249-R431 PolarHBondContact OE2-NE 3.06Å; E249-R431 IonicContact OE2-NH2 3.93Å; E249-R431 PolarHBondContact OE2-NH2 3.16Å; R431-Q435 HydrophobicContact CB-CB 4.4Å; R431-Q435 HydrophobicContact CG-CG 4.26Å; R431-K436 HydrophobicContact CB-CD 4.37Å; R431-K436 HydrophobicContact CB-CG 3.98Å; R431-K436 WeakPolarHBondContact O-CE 3.35Å; R431-K436 PolarHBondContact O-NZ 3.08Å; R431-D440 WeakPolarHBondContact CD-O 3.08Å; R431-S441 WeakPolarHBondContact CD-O 3.34Å; R431-R442 WeakPolarHBondContact CG-O 3.47Å; R431-P443 HydrophobicContact CG-CB 4.32Å; R431-D444 WeakPolarHBondContact CA-OD1 3.39Å
432T98.1Very high93.7Very high0 Ų034.8 Ų34.80%019%0.189CC..  trans-64.1163.7172.866.90000111.6Y430 Y434 Q435 K436 D444 I445 R531 E534Y430-T432 HydrophobicContact CD1-CG2 4.22Å; Y430-T432 HydrophobicContact CE1-CG2 3.93Å; T432-Y434 PolarHBondContact O-N 3.11Å; T432-Q435 PolarHBondContact O-N 3.06Å; T432-Q435 PolarHBondContact OG1-N 3.41Å; T432-K436 WeakPolarHBondContact O-CG 3.31Å; T432-K436 PolarHBondContact O-N 2.58Å; T432-D444 WeakPolarHBondContact CB-OD2 3.31Å; T432-D444 WeakPolarHBondContact CG2-OD2 3.31Å; T432-D444 PolarHBondContact N-OD1 2.72Å; T432-D444 PolarHBondContact OG1-OD1 2.92Å; T432-D444 PolarHBondContact OG1-OD2 3.28Å; T432-I445 HydrophobicContact CG2-CD1 4.42Å; T432-I445 HydrophobicContact CG2-CG1 3.7Å; T432-R531 HydrophobicContact CG2-CB 4.15Å; T432-R531 HydrophobicContact CG2-CG 4.3Å; T432-E534 WeakPolarHBondContact CA-OE1 3.49Å; T432-E534 WeakPolarHBondContact CB-OE1 3.46Å; T432-E534 HydrophobicContact CG2-CB 4.28Å
433S97.3Very high94.7Very high55 Ų5534.1 Ų34.139%0.38519%0.185SC..Hα-helixtrans-56.6-38.2172.668.30000111.5K436 L437 E534S433-K436 PolarHBondContact O-N 3.16Å; S433-L437 WeakPolarHBondContact O-CB 3.41Å; S433-L437 VanDerWaalsContact O-CG 3.25Å; S433-L437 WeakPolarHBondContact O-CG 3.35Å; S433-L437 PolarHBondContact O-N 2.83Å; S433-E534 WeakPolarHBondContact CB-OE2 3.47Å; S433-E534 VanDerWaalsContact N-CD 3.33Å; S433-E534 PolarHBondContact N-OE1 3.4Å; S433-E534 PolarHBondContact N-OE2 2.87Å; S433-E534 VanDerWaalsContact N-OE2 3.07Å; S433-E534 PolarHBondContact OG-OE2 3.2Å
434Y97.3Very high95.5Very high72 Ų7234.1 Ų34.128%0.28219%0.185SC..Hα-helixtrans-62-46.4175.6-56.6-80.7000112.1T432 K436 L437 E438 N530 R531 E534T432-Y434 PolarHBondContact O-N 3.11Å; Y434-K436 PolarHBondContact O-N 3.43Å; Y434-L437 PolarHBondContact O-N 2.99Å; Y434-E438 WeakPolarHBondContact O-CG 3.41Å; Y434-E438 PolarHBondContact O-N 3.49Å; Y434-N530 HydrophobicContact CE1-CB 4.38Å; Y434-N530 HydrophobicContact CE2-CB 3.81Å; Y434-R531 HydrophobicContact CD2-CG 4.09Å; Y434-R531 HydrophobicContact CG-CG 4.42Å; Y434-E534 WeakPolarHBondContact CD2-OE2 3.44Å; Y434-E534 WeakPolarHBondContact CE2-OE2 3.48Å
435Q97.1Very high96Very high4 Ų434 Ų342%0.01918%0.184CC..Hα-helixtrans-64.7-40.4179-163.666.410.400111.9R431 T432 E438 D440 R442 D444R431-Q435 HydrophobicContact CB-CB 4.4Å; R431-Q435 HydrophobicContact CG-CG 4.26Å; T432-Q435 PolarHBondContact O-N 3.06Å; T432-Q435 PolarHBondContact OG1-N 3.41Å; Q435-E438 PolarHBondContact O-N 2.96Å; Q435-D440 HydrophobicContact CG-CB 4.34Å; Q435-D440 VanDerWaalsContact NE2-CB 3.25Å; Q435-D440 PolarHBondContact NE2-OD2 3.38Å; Q435-D440 VanDerWaalsContact NE2-OD2 3.1Å; Q435-D440 PolarHBondContact O-N 2.94Å; Q435-R442 WeakPolarHBondContact CG-O 3.43Å; Q435-R442 PolarHBondContact NE2-O 2.97Å; Q435-D444 HydrophobicContact CB-CB 4.27Å; Q435-D444 WeakPolarHBondContact CB-OD1 3.22Å; Q435-D444 HydrophobicContact CG-CB 4.01Å
436K96.7Very high96.5Very high88 Ų8834.2 Ų34.238%0.38319%0.185SC..Hα-helixtrans-63.8-41.5175.9-74.8168.2170.7140.10112.4E249 R431 T432 S433 Y434 E438 G439E249-K436 WeakPolarHBondContact OE1-CE 3.31Å; E249-K436 IonicContact OE1-NZ 2.74Å; E249-K436 PolarHBondContact OE1-NZ 3.5Å; R431-K436 HydrophobicContact CB-CD 4.37Å; R431-K436 HydrophobicContact CB-CG 3.98Å; R431-K436 WeakPolarHBondContact O-CE 3.35Å; R431-K436 PolarHBondContact O-NZ 3.08Å; T432-K436 WeakPolarHBondContact O-CG 3.31Å; T432-K436 PolarHBondContact O-N 2.58Å; S433-K436 PolarHBondContact O-N 3.16Å; Y434-K436 PolarHBondContact O-N 3.43Å; K436-E438 PolarHBondContact O-N 3.3Å; K436-G439 PolarHBondContact O-N 2.98Å; K436-G439 VanDerWaalsContact O-N 3.11Å
437L97Very high96.7Very high148 Ų14834.3 Ų34.378%0.77519%0.185SC*.Hα-helixtrans-64.1-31177.3-75.5168.7000112.6S433 Y434 G439S433-L437 WeakPolarHBondContact O-CB 3.41Å; S433-L437 VanDerWaalsContact O-CG 3.25Å; S433-L437 WeakPolarHBondContact O-CG 3.35Å; S433-L437 PolarHBondContact O-N 2.83Å; Y434-L437 PolarHBondContact O-N 2.99Å; L437-G439 PolarHBondContact O-N 2.93Å
438E95.5Very high96.7Very high96 Ų9634.3 Ų34.345%0.44919%0.186SC..THydrogen-bonded Turntrans-76.3-6.8176.6-73.3167.4-155.100113.2Y434 Q435 K436 D440 R497 R531Y434-E438 WeakPolarHBondContact O-CG 3.41Å; Y434-E438 PolarHBondContact O-N 3.49Å; Q435-E438 PolarHBondContact O-N 2.96Å; K436-E438 PolarHBondContact O-N 3.3Å; E438-D440 PolarHBondContact O-N 2.91Å; E438-R497 IonicContact OE1-CZ 3.26Å; E438-R497 IonicContact OE1-NH2 3.87Å; E438-R497 PolarHBondContact OE1-NH2 2.74Å; E438-R497 IonicContact OE2-NH2 3.63Å; E438-R497 PolarHBondContact OE2-NH2 2.86Å; E438-R531 IonicContact OE1-CZ 3.48Å; E438-R531 IonicContact OE1-NH1 2.77Å; E438-R531 IonicContact OE1-NH2 3.65Å; E438-R531 PolarHBondContact OE1-NH2 3.14Å; E438-R531 IonicContact OE2-NH2 3.3Å; E438-R531 PolarHBondContact OE2-NH2 2.95Å
439G95.5Very high96.6Very high68 Ų6834.4 Ų34.470%0.70119%0.186SC*.THydrogen-bonded Turntrans70.211.5-177.500000113.6K436 L437K436-G439 PolarHBondContact O-N 2.98Å; K436-G439 VanDerWaalsContact O-N 3.11Å; L437-G439 PolarHBondContact O-N 2.93Å
440D93.9Very high96.3Very high33 Ų3335.6 Ų35.618%0.17619%0.193CC..  trans-79.5125.5179.1-166.7-29.7000109.6R431 Q435 E438 R442R431-D440 WeakPolarHBondContact CD-O 3.08Å; Q435-D440 HydrophobicContact CG-CB 4.34Å; Q435-D440 VanDerWaalsContact NE2-CB 3.25Å; Q435-D440 PolarHBondContact NE2-OD2 3.38Å; Q435-D440 VanDerWaalsContact NE2-OD2 3.1Å; Q435-D440 PolarHBondContact O-N 2.94Å; E438-D440 PolarHBondContact O-N 2.91Å; D440-R442 VanDerWaalsContact C-N 3.26Å; D440-R442 PolarHBondContact O-N 3.29Å; D440-R442 VanDerWaalsContact OD1-CB 3.23Å; D440-R442 WeakPolarHBondContact OD1-CB 3.41Å; D440-R442 WeakPolarHBondContact OD1-CG 3.41Å; D440-R442 IonicContact OD1-CZ 3.38Å; D440-R442 PolarHBondContact OD1-N 3.12Å; D440-R442 IonicContact OD1-NE 2.67Å; D440-R442 PolarHBondContact OD1-NE 2.92Å; D440-R442 IonicContact OD1-NH2 3.39Å; D440-R442 IonicContact OD2-CZ 2.74Å; D440-R442 VanDerWaalsContact OD2-CZ 3.32Å; D440-R442 IonicContact OD2-NE 3.77Å; D440-R442 PolarHBondContact OD2-NE 2.95Å; D440-R442 VanDerWaalsContact OD2-NE 3.09Å; D440-R442 IonicContact OD2-NH2 4Å; D440-R442 PolarHBondContact OD2-NH2 2.77Å
441S94.9Very high95.7Very high37 Ų3734.6 Ų34.626%0.25919%0.189SC..  trans-72.6-21.2-179.7620000112.4H181 D183 R431H181-S441 PolarHBondContact CE1-OG 3.37Å; D183-S441 WeakPolarHBondContact OD2-CB 3.47Å; D183-S441 PolarHBondContact OD2-OG 3.3Å; R431-S441 WeakPolarHBondContact CD-O 3.34Å
442R96Very high94.7Very high17 Ų1731.6 Ų31.66%0.06418%0.178CC..SBendtrans-74.8134.1-175.5-62.4174.7-64.1-171-10.4111H181 D183 D184 R431 Q435 D440 K654 T657H181-R442 HydrophobicContact CB-CG 3.94Å; H181-R442 WeakPolarHBondContact ND1-CG 3.43Å; D183-R442 HydrophobicContact CB-CG 4.36Å; D184-R442 WeakPolarHBondContact OD1-CD 3.47Å; D184-R442 IonicContact OD1-NH1 3.57Å; R431-R442 WeakPolarHBondContact CG-O 3.47Å; Q435-R442 WeakPolarHBondContact CG-O 3.43Å; Q435-R442 PolarHBondContact NE2-O 2.97Å; D440-R442 VanDerWaalsContact C-N 3.26Å; D440-R442 PolarHBondContact O-N 3.29Å; D440-R442 VanDerWaalsContact OD1-CB 3.23Å; D440-R442 WeakPolarHBondContact OD1-CB 3.41Å; D440-R442 WeakPolarHBondContact OD1-CG 3.41Å; D440-R442 IonicContact OD1-CZ 3.38Å; D440-R442 PolarHBondContact OD1-N 3.12Å; D440-R442 IonicContact OD1-NE 2.67Å; D440-R442 PolarHBondContact OD1-NE 2.92Å; D440-R442 IonicContact OD1-NH2 3.39Å; D440-R442 IonicContact OD2-CZ 2.74Å; D440-R442 VanDerWaalsContact OD2-CZ 3.32Å; D440-R442 IonicContact OD2-NE 3.77Å; D440-R442 PolarHBondContact OD2-NE 2.95Å; D440-R442 VanDerWaalsContact OD2-NE 3.09Å; D440-R442 IonicContact OD2-NH2 4Å; D440-R442 PolarHBondContact OD2-NH2 2.77Å; R442-K654 VanDerWaalsContact NH2-NZ 3.1Å; R442-T657 HydrophobicContact CB-CG2 4.31Å; R442-T657 WeakPolarHBondContact CD-OG1 3.35Å
443P97.3Very high93.3Very high0 Ų033 Ų330%019%0.188CC..  trans-61.1139.8165.427.6-34.9000111S247 Y429 R431 L494 N495 T657S247-P443 WeakPolarHBondContact O-CD 3.26Å; S247-P443 VanDerWaalsContact O-CG 3.25Å; S247-P443 WeakPolarHBondContact O-CG 3.24Å; Y429-P443 HydrophobicContact CD1-CB 4.23Å; Y429-P443 HydrophobicContact CD1-CG 3.8Å; Y429-P443 HydrophobicContact CG-CB 4.43Å; Y429-P443 HydrophobicContact CG-CG 4.05Å; R431-P443 HydrophobicContact CG-CB 4.32Å; P443-L494 HydrophobicContact CB-CD1 4.49Å; P443-L494 HydrophobicContact CG-CD1 4.29Å; P443-N495 PolarHBondContact O-ND2 2.82Å; P443-T657 HydrophobicContact CG-CG2 3.64Å; P443-T657 WeakPolarHBondContact O-CG2 3.23Å
444D97.9Very high91.4Very high0 Ų031 Ų310%017%0.173CC..SBendtrans-103.7-10.6174.860.8-34.6000112.3Y430 R431 T432 Q435 L493 L494 N495 R531Y430-D444 PolarHBondContact O-N 2.63Å; R431-D444 WeakPolarHBondContact CA-OD1 3.39Å; T432-D444 WeakPolarHBondContact CB-OD2 3.31Å; T432-D444 WeakPolarHBondContact CG2-OD2 3.31Å; T432-D444 PolarHBondContact N-OD1 2.72Å; T432-D444 PolarHBondContact OG1-OD1 2.92Å; T432-D444 PolarHBondContact OG1-OD2 3.28Å; Q435-D444 HydrophobicContact CB-CB 4.27Å; Q435-D444 WeakPolarHBondContact CB-OD1 3.22Å; Q435-D444 HydrophobicContact CG-CB 4.01Å; D444-L493 CarbonylContact O-C 3.16Å; D444-L493 WeakPolarHBondContact O-CA 3.49Å; D444-L494 PolarHBondContact O-N 2.72Å; D444-N495 HydrophobicContact CB-CB 4.47Å; D444-R531 WeakPolarHBondContact OD2-CD 3.11Å; D444-R531 VanDerWaalsContact OD2-CG 3.28Å; D444-R531 WeakPolarHBondContact OD2-CG 3.41Å; D444-R531 IonicContact OD2-NE 2.63Å; D444-R531 PolarHBondContact OD2-NE 3.39Å
445I98.6Very high89.3Confident0 Ų028.8 Ų28.80%017%0.165CC..EExtended strand (participates in β ladder)trans-119.5131174.6-57.9-65.3000111.1Y429 Y430 T432 Y447 I491 S492 L493 L532Y429-I445 WeakPolarHBondContact CA-O 3.42Å; Y430-I445 HydrophobicContact CD1-CB 4.23Å; Y430-I445 HydrophobicContact CD1-CG1 4.25Å; Y430-I445 PolarHBondContact N-O 3.25Å; Y430-I445 PolarHBondContact O-N 3.1Å; T432-I445 HydrophobicContact CG2-CD1 4.42Å; T432-I445 HydrophobicContact CG2-CG1 3.7Å; I445-Y447 HydrophobicContact CG2-CD1 4.49Å; I445-Y447 HydrophobicContact CG2-CD2 4.24Å; I445-Y447 HydrophobicContact CG2-CE1 3.95Å; I445-Y447 HydrophobicContact CG2-CE2 3.73Å; I445-I491 HydrophobicContact CG2-CG2 3.94Å; I445-S492 WeakPolarHBondContact CA-O 3.45Å; I445-L493 HydrophobicContact CD1-CD1 4.3Å; I445-L532 HydrophobicContact CD1-CD2 4.21Å
446Q98.1Very high87.5Confident3 Ų330.2 Ų30.21%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-111.6129.5167.6-172.9176.4-63.800110.8I427 G428 Y429 T448 I491 S492 L494 N659I427-Q446 HydrophobicContact CG2-CG 3.64Å; G428-Q446 CarbonylContact O-C 3.54Å; G428-Q446 WeakPolarHBondContact O-CA 3.48Å; Y429-Q446 HydrophobicContact CD1-CB 4.31Å; Y429-Q446 HydrophobicContact CD1-CG 4.26Å; Y429-Q446 HydrophobicContact CE1-CB 4.12Å; Y429-Q446 HydrophobicContact CE1-CG 3.76Å; Y429-Q446 VanDerWaalsContact CE1-OE1 3.25Å; Y429-Q446 PolarHBondContact OH-OE1 2.97Å; Q446-T448 PolarHBondContact NE2-OG1 2.87Å; Q446-I491 WeakPolarHBondContact O-CA 3.44Å; Q446-S492 PolarHBondContact N-O 2.97Å; Q446-S492 PolarHBondContact O-N 3.4Å; Q446-L494 HydrophobicContact CB-CD1 3.95Å; Q446-L494 HydrophobicContact CB-CD2 3.8Å; Q446-L494 HydrophobicContact CB-CG 3.91Å; Q446-N659 PolarHBondContact NE2-OD1 2.78Å
447Y97.6Very high86Confident2 Ų230.9 Ų30.91%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-103.4110.1169.5-60.3-75.3000109.4F232 I427 G428 Y430 I445 L489 L490 I491 G535 W538 I539F232-Y447 AromaticContact CZ-CD2 3.79Å; F232-Y447 HydrophobicContact CZ-CD2 3.79Å; F232-Y447 HydrophobicContact CZ-CE2 4.27Å; I427-Y447 CarbonylContact C-O 3.59Å; I427-Y447 VanDerWaalsContact CA-O 3.3Å; I427-Y447 WeakPolarHBondContact CA-O 3.18Å; G428-Y447 PolarHBondContact N-O 2.84Å; G428-Y447 PolarHBondContact O-N 2.98Å; Y430-Y447 HydrophobicContact CG-CE2 4.39Å; I445-Y447 HydrophobicContact CG2-CD1 4.49Å; I445-Y447 HydrophobicContact CG2-CD2 4.24Å; I445-Y447 HydrophobicContact CG2-CE1 3.95Å; I445-Y447 HydrophobicContact CG2-CE2 3.73Å; Y447-L489 HydrophobicContact CD1-CD1 4.23Å; Y447-L489 HydrophobicContact CD1-CD2 4.38Å; Y447-L489 HydrophobicContact CD1-CG 4.49Å; Y447-L490 CarbonylContact C-O 3.47Å; Y447-L490 WeakPolarHBondContact CA-O 3.46Å; Y447-I491 HydrophobicContact CD1-CG1 3.92Å; Y447-I491 HydrophobicContact CD1-CG2 4.31Å; Y447-I491 HydrophobicContact CE1-CD1 4.29Å; Y447-I491 HydrophobicContact CE1-CG1 4.04Å; Y447-I491 HydrophobicContact CE1-CG2 3.93Å; Y447-G535 VanDerWaalsContact OH-C 3.3Å; Y447-G535 WeakPolarHBondContact OH-CA 3.39Å; Y447-G535 PolarHBondContact OH-O 3.37Å; Y447-W538 AromaticContact CE2-CE3 3.91Å; Y447-W538 HydrophobicContact CE2-CE3 3.91Å; Y447-W538 AromaticContact CE2-CZ3 3.8Å; Y447-W538 HydrophobicContact CE2-CZ3 3.8Å; Y447-W538 AromaticContact CZ-CE3 3.82Å; Y447-I539 HydrophobicContact CD1-CB 4.3Å; Y447-I539 HydrophobicContact CD1-CG1 4.28Å; Y447-I539 HydrophobicContact CD1-CG2 4.42Å; Y447-I539 HydrophobicContact CE1-CB 3.62Å; Y447-I539 HydrophobicContact CE1-CG1 4.1Å; Y447-I539 HydrophobicContact CE1-CG2 3.71Å
448T95.6Very high84.5Confident4 Ų427 Ų273%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-101.4115.4173.4-51.90000109I176 L424 I427 Q446 I450 L490I176-T448 HydrophobicContact CD1-CG2 4.16Å; L424-T448 HydrophobicContact CD2-CG2 3.36Å; I427-T448 HydrophobicContact CG1-CG2 4.43Å; Q446-T448 PolarHBondContact NE2-OG1 2.87Å; T448-I450 HydrophobicContact CG2-CG1 4.27Å; T448-L490 PolarHBondContact N-O 3.35Å; T448-L490 PolarHBondContact O-N 2.97Å
449V93.9Very high83.2Confident1 Ų123.5 Ų23.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-97.2110.8-176.9-172.20000110.2I224 F228 T425 S426 I487 L489I224-V449 HydrophobicContact CG2-CG1 3.77Å; F228-V449 HydrophobicContact CD1-CG2 4.47Å; F228-V449 HydrophobicContact CD2-CB 4.46Å; F228-V449 HydrophobicContact CD2-CG1 3.83Å; F228-V449 HydrophobicContact CD2-CG2 3.86Å; F228-V449 HydrophobicContact CE1-CG2 4.49Å; F228-V449 HydrophobicContact CE2-CB 4.37Å; F228-V449 HydrophobicContact CE2-CG1 3.49Å; F228-V449 VanDerWaalsContact CE2-CG1 3.49Å; F228-V449 HydrophobicContact CE2-CG2 3.9Å; F228-V449 HydrophobicContact CG-CG2 4.16Å; F228-V449 HydrophobicContact CZ-CG1 4.29Å; F228-V449 HydrophobicContact CZ-CG2 4.22Å; T425-V449 PolarHBondContact N-O 2.75Å; T425-V449 WeakPolarHBondContact OG1-CB 3.29Å; T425-V449 WeakPolarHBondContact OG1-CG1 3.4Å; T425-V449 PolarHBondContact OG1-O 2.83Å; S426-V449 PolarHBondContact O-N 3.1Å; V449-I487 HydrophobicContact CG1-CD1 4.26Å; V449-L489 HydrophobicContact CG2-CD1 3.86Å
450I89.2Confident82.1Confident34 Ų3423.8 Ų23.817%0.17412%0.122CC..EExtended strand (participates in β ladder)trans-107.7114.1179.8-63.8170.3000108.9S422 A423 L424 T448 A452 I487 V488 L490S422-I450 WeakPolarHBondContact O-CG2 3.41Å; A423-I450 HydrophobicContact CB-CG2 4.46Å; L424-I450 HydrophobicContact CD2-CG1 3.97Å; T448-I450 HydrophobicContact CG2-CG1 4.27Å; I450-A452 HydrophobicContact CG2-CB 3.97Å; I450-A452 PolarHBondContact O-N 3.3Å; I450-I487 WeakPolarHBondContact O-CA 3.27Å; I450-I487 WeakPolarHBondContact O-CB 3.39Å; I450-V488 HydrophobicContact CB-CB 4.31Å; I450-V488 PolarHBondContact N-O 3.03Å; I450-V488 PolarHBondContact O-N 3.09Å; I450-L490 HydrophobicContact CD1-CD1 3.69Å; I450-L490 HydrophobicContact CD1-CG 4.16Å
451S85.5Confident81.5Confident0 Ų023.2 Ų23.20%012%0.118CC..  trans-84.537-178.561.10000113.8N221 I224 T396 V397 A423 T425N221-S451 WeakPolarHBondContact OD1-CB 3.16Å; N221-S451 PolarHBondContact OD1-OG 2.91Å; I224-S451 VanDerWaalsContact CD1-CB 3.47Å; T396-S451 WeakPolarHBondContact CB-O 3.38Å; V397-S451 WeakPolarHBondContact CG2-O 3.37Å; V397-S451 PolarHBondContact N-O 2.81Å; A423-S451 PolarHBondContact O-N 3.49Å; A423-S451 PolarHBondContact O-OG 3.43Å; T425-S451 VanDerWaalsContact CG2-CB 3.47Å; T425-S451 WeakPolarHBondContact CG2-OG 3.5Å
452A75.9Confident80.8Confident2 Ų225 Ų252%0.01713%0.125CC..BIsolated β-bridgetrans-123.3143.2177.300000111.6V397 A423 I450 F455 P486V397-A452 HydrophobicContact CB-CB 4.03Å; V397-A452 WeakPolarHBondContact O-CA 3.4Å; A423-A452 HydrophobicContact CB-CB 3.68Å; I450-A452 HydrophobicContact CG2-CB 3.97Å; I450-A452 PolarHBondContact O-N 3.3Å; A452-F455 HydrophobicContact CB-CD2 4.01Å; A452-F455 HydrophobicContact CB-CE1 4.36Å; A452-F455 HydrophobicContact CB-CE2 3.11Å; A452-F455 HydrophobicContact CB-CZ 3.31Å; A452-P486 CarbonylContact C-O 3.58Å
453S67.7Low80Confident30 Ų3025 Ų2521%0.2113%0.126CC..  trans-59.9144159.9178.50000109.1V397 F455 P486V397-S453 PolarHBondContact O-N 3.34Å; S453-F455 WeakPolarHBondContact O-CA 3.33Å; S453-F455 WeakPolarHBondContact O-CD2 3.45Å; S453-F455 WeakPolarHBondContact O-CG 3.21Å; S453-F455 PolarHBondContact O-N 2.76Å; S453-P486 PolarHBondContact N-O 3.07Å
454P57.9Low79.5Confident12 Ų1225.1 Ų25.18%0.07813%0.128CC..  trans-5792.8167.821.6-29.7000109.1E456 F460 M475P454-E456 PolarHBondContact O-N 3.24Å; P454-F460 HydrophobicContact CB-CB 4.33Å; P454-F460 HydrophobicContact CB-CD2 3.56Å; P454-F460 HydrophobicContact CB-CE2 4Å; P454-F460 HydrophobicContact CB-CG 3.95Å; P454-M475 HydrophobicContact CG-CE 3.68Å
455F54.1Low79.3Confident26 Ų2626 Ų2611%0.11413%0.132CC..SBendtrans-52.6-28.1-161.4-75.9-82000115.6L127 V397 T399 A452 S453L127-F455 HydrophobicContact CD1-CE2 4.17Å; L127-F455 HydrophobicContact CD1-CZ 3.72Å; L127-F455 HydrophobicContact CG-CZ 4.25Å; V397-F455 HydrophobicContact CB-CE1 4.22Å; V397-F455 HydrophobicContact CB-CZ 3.91Å; V397-F455 HydrophobicContact CG1-CE1 3.48Å; V397-F455 VanDerWaalsContact CG1-CE1 3.48Å; V397-F455 HydrophobicContact CG1-CZ 3.48Å; V397-F455 VanDerWaalsContact CG1-CZ 3.48Å; T399-F455 WeakPolarHBondContact CG2-O 3.19Å; A452-F455 HydrophobicContact CB-CD2 4.01Å; A452-F455 HydrophobicContact CB-CE1 4.36Å; A452-F455 HydrophobicContact CB-CE2 3.11Å; A452-F455 HydrophobicContact CB-CZ 3.31Å; S453-F455 WeakPolarHBondContact O-CA 3.33Å; S453-F455 WeakPolarHBondContact O-CD2 3.45Å; S453-F455 WeakPolarHBondContact O-CG 3.21Å; S453-F455 PolarHBondContact O-N 2.76Å
456E59Low78.9Confident34 Ų3426.1 Ų26.116%0.15913%0.133CC..  trans-139.4106.9175.4-76.3-177.8159.500105.9L131 R135 P454 D458 T459 F460L131-E456 HydrophobicContact CD2-CG 4.06Å; R135-E456 VanDerWaalsContact NH2-CD 3.28Å; R135-E456 IonicContact NH2-OE1 3.71Å; R135-E456 PolarHBondContact NH2-OE1 2.81Å; R135-E456 IonicContact NH2-OE2 2.74Å; R135-E456 PolarHBondContact NH2-OE2 2.99Å; P454-E456 PolarHBondContact O-N 3.24Å; E456-D458 PolarHBondContact O-N 3.43Å; E456-D458 VanDerWaalsContact O-N 3.16Å; E456-T459 PolarHBondContact O-N 3.07Å; E456-T459 PolarHBondContact OE2-OG1 3.4Å; E456-F460 PolarHBondContact O-N 2.67Å; E456-F460 VanDerWaalsContact O-N 3.13Å
457K64.8Low78.4Confident102 Ų10227.9 Ų27.944%0.44314%0.142SC..Hα-helixtrans-40.2-50.7170.2176.7-177.6169.6-179.30110.2T459 F460 E461 W471K457-T459 VanDerWaalsContact C-N 3.33Å; K457-T459 PolarHBondContact O-N 3.45Å; K457-F460 PolarHBondContact O-N 3.39Å; K457-E461 WeakPolarHBondContact CE-OE2 3.3Å; K457-E461 WeakPolarHBondContact O-CB 3.46Å; K457-E461 PolarHBondContact O-N 2.58Å; K457-W471 HydrophobicContact CG-CZ2 4.34Å
458D65.3Low77.8Confident67 Ų6731.9 Ų31.936%0.35817%0.169SC..Hα-helixtrans-57-42.9179.4-68.70.7000113R11 E456 N462R11-D458 IonicContact CZ-OD2 2.78Å; R11-D458 IonicContact NE-OD2 2.77Å; R11-D458 PolarHBondContact NE-OD2 3.3Å; R11-D458 VanDerWaalsContact NH2-CG 3.33Å; R11-D458 IonicContact NH2-OD2 3.62Å; R11-D458 PolarHBondContact NH2-OD2 3.35Å; E456-D458 PolarHBondContact O-N 3.43Å; E456-D458 VanDerWaalsContact O-N 3.16Å; D458-N462 WeakPolarHBondContact O-CB 3.32Å; D458-N462 PolarHBondContact O-N 3.5Å; D458-N462 PolarHBondContact O-ND2 2.81Å
459T68.4Low77.4Confident21 Ų2135.1 Ų35.113%0.12919%0.192CC..Hα-helixtrans-69.5-45.7-176.6-64.30000110.5E456 K457 L463E456-T459 PolarHBondContact O-N 3.07Å; E456-T459 PolarHBondContact OE2-OG1 3.4Å; K457-T459 VanDerWaalsContact C-N 3.33Å; K457-T459 PolarHBondContact O-N 3.45Å; T459-L463 WeakPolarHBondContact O-CB 3.34Å; T459-L463 PolarHBondContact O-N 2.77Å
460F73.6Confident77.1Confident75 Ų7535.4 Ų35.433%0.32919%0.193SC..Hα-helixtrans-77.1-35.2-179.9-72.7-82.4000113.6P454 E456 K457 G464 W471P454-F460 HydrophobicContact CB-CB 4.33Å; P454-F460 HydrophobicContact CB-CD2 3.56Å; P454-F460 HydrophobicContact CB-CE2 4Å; P454-F460 HydrophobicContact CB-CG 3.95Å; E456-F460 PolarHBondContact O-N 2.67Å; E456-F460 VanDerWaalsContact O-N 3.13Å; K457-F460 PolarHBondContact O-N 3.39Å; F460-G464 WeakPolarHBondContact O-CA 3.35Å; F460-G464 PolarHBondContact O-N 2.83Å; F460-W471 HydrophobicContact CB-CH2 3.67Å; F460-W471 HydrophobicContact CB-CZ2 4.45Å; F460-W471 HydrophobicContact CB-CZ3 4.28Å
461E80.4Confident77Confident20 Ų2034.1 Ų34.19%0.09319%0.186CC..Hα-helixtrans-62.1-47.4173.5-178.2176.6172.100110.4K457 N465 F466 P468 W471K457-E461 WeakPolarHBondContact CE-OE2 3.3Å; K457-E461 WeakPolarHBondContact O-CB 3.46Å; K457-E461 PolarHBondContact O-N 2.58Å; E461-N465 PolarHBondContact O-N 2.89Å; E461-F466 HydrophobicContact CG-CB 4.29Å; E461-F466 PolarHBondContact O-N 3.42Å; E461-P468 WeakPolarHBondContact OE1-CA 3.41Å; E461-W471 HydrophobicContact CB-CD2 3.79Å; E461-W471 HydrophobicContact CB-CE3 4.14Å; E461-W471 HydrophobicContact CB-CG 4.03Å; E461-W471 HydrophobicContact CB-CZ2 4.47Å; E461-W471 HydrophobicContact CG-CB 3.93Å; E461-W471 HydrophobicContact CG-CD2 4Å; E461-W471 HydrophobicContact CG-CE3 4.48Å; E461-W471 HydrophobicContact CG-CG 3.73Å
462N79Confident76.9Confident75 Ų7540.3 Ų40.340%0.40121%0.21SC..Hα-helixtrans-72.7-46.1-179.9-68.4-45000111.9L159 D458 G464 N465L159-N462 VanDerWaalsContact CD1-O 3.24Å; L159-N462 WeakPolarHBondContact CD1-O 3.48Å; D458-N462 WeakPolarHBondContact O-CB 3.32Å; D458-N462 PolarHBondContact O-N 3.5Å; D458-N462 PolarHBondContact O-ND2 2.81Å; N462-G464 VanDerWaalsContact C-N 3.29Å; N462-G464 PolarHBondContact O-N 3.21Å; N462-N465 WeakPolarHBondContact O-CA 3.09Å; N462-N465 PolarHBondContact O-N 3.36Å
463L80.8Confident77.3Confident16 Ų1642.7 Ų42.78%0.08422%0.221CC..Hα-helixtrans-65.8-34.5-179.8-161.269.5000112.2Y133 P161 T459 N465Y133-L463 HydrophobicContact CD1-CD1 4.46Å; Y133-L463 HydrophobicContact CD1-CD2 4.41Å; Y133-L463 HydrophobicContact CD2-CD2 4.34Å; Y133-L463 HydrophobicContact CG-CD2 4.19Å; P161-L463 HydrophobicContact CB-CD1 3.87Å; P161-L463 HydrophobicContact CG-CD1 3.68Å; P161-L463 HydrophobicContact CG-CD2 4.35Å; P161-L463 HydrophobicContact CG-CG 4.25Å; T459-L463 WeakPolarHBondContact O-CB 3.34Å; T459-L463 PolarHBondContact O-N 2.77Å; L463-N465 PolarHBondContact O-N 3.08Å
464G86.9Confident78.1Confident4 Ų442 Ų424%0.04121%0.214CC..THydrogen-bonded Turntrans-78.1-2172.800000114L153 F460 N462 F466L153-G464 WeakPolarHBondContact CD2-O 3.26Å; F460-G464 WeakPolarHBondContact O-CA 3.35Å; F460-G464 PolarHBondContact O-N 2.83Å; N462-G464 VanDerWaalsContact C-N 3.29Å; N462-G464 PolarHBondContact O-N 3.21Å; G464-F466 PolarHBondContact O-N 2.89Å
465N92.3Very high79.1Confident17 Ų1741.5 Ų41.59%0.09121%0.211CC..THydrogen-bonded Turntrans54.332.5-179.1-158.930.2000114.2K154 A157 L159 E461 N462 L463K154-N465 WeakPolarHBondContact CG-O 3.43Å; K154-N465 PolarHBondContact N-O 2.86Å; K154-N465 PolarHBondContact O-ND2 3.37Å; A157-N465 PolarHBondContact O-ND2 3Å; L159-N465 HydrophobicContact CD1-CB 3.8Å; L159-N465 HydrophobicContact CG-CB 3.82Å; E461-N465 PolarHBondContact O-N 2.89Å; N462-N465 WeakPolarHBondContact O-CA 3.09Å; N462-N465 PolarHBondContact O-N 3.36Å; L463-N465 PolarHBondContact O-N 3.08Å
466F90Very high79.7Confident3 Ų346.3 Ų46.31%0.01323%0.231CC..BIsolated β-bridgetrans-74.6143.4179.9-66.8-86.8000110.4L153 K154 E461 G464 T470 W471 Y474 I608 L610L153-F466 HydrophobicContact CD2-CD1 3.61Å; L153-F466 HydrophobicContact CD2-CE1 3.62Å; L153-F466 HydrophobicContact CD2-CG 4.14Å; L153-F466 HydrophobicContact CD2-CZ 4.14Å; K154-F466 WeakPolarHBondContact CE-O 3.2Å; K154-F466 PolarHBondContact NZ-O 3.35Å; E461-F466 HydrophobicContact CG-CB 4.29Å; E461-F466 PolarHBondContact O-N 3.42Å; G464-F466 PolarHBondContact O-N 2.89Å; F466-T470 HydrophobicContact CD1-CG2 3.91Å; F466-T470 HydrophobicContact CE1-CG2 4.49Å; F466-W471 HydrophobicContact CB-CB 3.82Å; F466-W471 HydrophobicContact CB-CE3 4.15Å; F466-W471 HydrophobicContact CD1-CE3 4.42Å; F466-W471 AromaticContact CD2-CE3 3.49Å; F466-W471 HydrophobicContact CD2-CE3 3.49Å; F466-W471 VanDerWaalsContact CD2-CE3 3.49Å; F466-W471 AromaticContact CD2-CZ3 3.83Å; F466-W471 HydrophobicContact CD2-CZ3 3.83Å; F466-W471 AromaticContact CE2-CE3 3.91Å; F466-W471 HydrophobicContact CE2-CE3 3.91Å; F466-W471 AromaticContact CE2-CZ3 3.86Å; F466-W471 HydrophobicContact CE2-CZ3 3.86Å; F466-W471 HydrophobicContact CG-CB 4.46Å; F466-W471 AromaticContact CG-CE3 3.78Å; F466-W471 HydrophobicContact CG-CE3 3.78Å; F466-Y474 HydrophobicContact CE1-CG 4.36Å; F466-Y474 HydrophobicContact CZ-CD1 4.41Å; F466-Y474 HydrophobicContact CZ-CE1 4.47Å; F466-I608 HydrophobicContact CE1-CB 4.39Å; F466-I608 HydrophobicContact CE1-CG2 3.94Å; F466-L610 HydrophobicContact CE2-CD1 4.31Å; F466-L610 HydrophobicContact CZ-CD1 4.27Å
467N87.9Confident79.7Confident41 Ų4147.4 Ų47.422%0.21924%0.238CC..  trans-77.1152.6159.963.470000109.7K152 K154 S469 T470 W471K152-N467 PolarHBondContact O-ND2 3.15Å; K154-N467 HydrophobicContact CG-CB 4.1Å; N467-S469 VanDerWaalsContact C-N 3.27Å; N467-S469 PolarHBondContact O-N 3.47Å; N467-S469 VanDerWaalsContact O-N 3.16Å; N467-S469 PolarHBondContact OD1-N 2.95Å; N467-S469 PolarHBondContact OD1-OG 2.86Å; N467-T470 PolarHBondContact ND2-OG1 3.36Å; N467-T470 PolarHBondContact O-N 3.21Å; N467-T470 VanDerWaalsContact O-N 3.13Å; N467-T470 WeakPolarHBondContact OD1-CB 3.33Å; N467-T470 PolarHBondContact OD1-N 3.22Å; N467-T470 PolarHBondContact OD1-OG1 3Å; N467-W471 PolarHBondContact O-N 3.47Å
468P85.5Confident79.1Confident86 Ų8646.5 Ų46.556%0.55824%0.236SC*.Hα-helixtrans-57.6-34.9-172.5-29.136.1000114.6E461 Y472E461-P468 WeakPolarHBondContact OE1-CA 3.41Å; P468-Y472 VanDerWaalsContact O-CB 3.27Å; P468-Y472 WeakPolarHBondContact O-CB 3.19Å; P468-Y472 PolarHBondContact O-N 2.9Å
469S86.6Confident78.2Confident72 Ų7250.4 Ų50.450%0.50326%0.257SS..Hα-helixtrans-73.1-40.2178.855.90000112.3N467 Y472 Q473N467-S469 VanDerWaalsContact C-N 3.27Å; N467-S469 PolarHBondContact O-N 3.47Å; N467-S469 VanDerWaalsContact O-N 3.16Å; N467-S469 PolarHBondContact OD1-N 2.95Å; N467-S469 PolarHBondContact OD1-OG 2.86Å; S469-Y472 PolarHBondContact O-N 3.48Å; S469-Q473 WeakPolarHBondContact O-CG 3.33Å; S469-Q473 PolarHBondContact O-N 3.05Å
470T88.2Confident77.6Confident6 Ų651 Ų514%0.03726%0.262CS..Hα-helixtrans-66.6-43.3174.7-59.40000110.3K152 F466 N467 Y472 Q473 Y474 F573K152-T470 HydrophobicContact CB-CG2 3.7Å; K152-T470 PolarHBondContact O-OG1 2.98Å; F466-T470 HydrophobicContact CD1-CG2 3.91Å; F466-T470 HydrophobicContact CE1-CG2 4.49Å; N467-T470 PolarHBondContact ND2-OG1 3.36Å; N467-T470 PolarHBondContact O-N 3.21Å; N467-T470 VanDerWaalsContact O-N 3.13Å; N467-T470 WeakPolarHBondContact OD1-CB 3.33Å; N467-T470 PolarHBondContact OD1-N 3.22Å; N467-T470 PolarHBondContact OD1-OG1 3Å; T470-Y472 VanDerWaalsContact C-N 3.33Å; T470-Y472 PolarHBondContact O-N 2.89Å; T470-Q473 PolarHBondContact O-N 3.48Å; T470-Y474 VanDerWaalsContact O-CB 3.22Å; T470-Y474 WeakPolarHBondContact O-CB 3.17Å; T470-Y474 PolarHBondContact O-N 2.98Å; T470-F573 HydrophobicContact CG2-CD1 4.29Å; T470-F573 HydrophobicContact CG2-CE1 3.7Å; T470-F573 HydrophobicContact CG2-CZ 4.4Å
471W86.9Confident76.8Confident7 Ų756.3 Ų56.33%0.02729%0.285CS..Hα-helixtrans-59.2-45.6173.3179.5-102.7000111.2K457 F460 E461 F466 N467 Q473 Y474 M475K457-W471 HydrophobicContact CG-CZ2 4.34Å; F460-W471 HydrophobicContact CB-CH2 3.67Å; F460-W471 HydrophobicContact CB-CZ2 4.45Å; F460-W471 HydrophobicContact CB-CZ3 4.28Å; E461-W471 HydrophobicContact CB-CD2 3.79Å; E461-W471 HydrophobicContact CB-CE3 4.14Å; E461-W471 HydrophobicContact CB-CG 4.03Å; E461-W471 HydrophobicContact CB-CZ2 4.47Å; E461-W471 HydrophobicContact CG-CB 3.93Å; E461-W471 HydrophobicContact CG-CD2 4Å; E461-W471 HydrophobicContact CG-CE3 4.48Å; E461-W471 HydrophobicContact CG-CG 3.73Å; F466-W471 HydrophobicContact CB-CB 3.82Å; F466-W471 HydrophobicContact CB-CE3 4.15Å; F466-W471 HydrophobicContact CD1-CE3 4.42Å; F466-W471 AromaticContact CD2-CE3 3.49Å; F466-W471 HydrophobicContact CD2-CE3 3.49Å; F466-W471 VanDerWaalsContact CD2-CE3 3.49Å; F466-W471 AromaticContact CD2-CZ3 3.83Å; F466-W471 HydrophobicContact CD2-CZ3 3.83Å; F466-W471 AromaticContact CE2-CE3 3.91Å; F466-W471 HydrophobicContact CE2-CE3 3.91Å; F466-W471 AromaticContact CE2-CZ3 3.86Å; F466-W471 HydrophobicContact CE2-CZ3 3.86Å; F466-W471 HydrophobicContact CG-CB 4.46Å; F466-W471 AromaticContact CG-CE3 3.78Å; F466-W471 HydrophobicContact CG-CE3 3.78Å; N467-W471 PolarHBondContact O-N 3.47Å; W471-Q473 VanDerWaalsContact C-N 3.34Å; W471-Q473 PolarHBondContact O-N 2.58Å; W471-Y474 AromaticContact CE3-CD1 3.91Å; W471-Y474 HydrophobicContact CE3-CD1 3.91Å; W471-Y474 HydrophobicContact CH2-CD1 4.46Å; W471-Y474 HydrophobicContact CH2-CE1 4.48Å; W471-Y474 AromaticContact CZ3-CD1 3.79Å; W471-Y474 HydrophobicContact CZ3-CD1 3.79Å; W471-Y474 AromaticContact CZ3-CE1 3.95Å; W471-Y474 HydrophobicContact CZ3-CE1 3.95Å; W471-Y474 WeakPolarHBondContact O-CB 3.47Å; W471-Y474 PolarHBondContact O-N 2.84Å; W471-M475 HydrophobicContact CD2-CG 3.85Å; W471-M475 HydrophobicContact CE3-CG 4.31Å; W471-M475 HydrophobicContact CG-CG 4.4Å; W471-M475 HydrophobicContact CH2-CG 4.01Å; W471-M475 HydrophobicContact CH2-SD 3.96Å; W471-M475 HydrophobicContact CZ2-CE 4.25Å; W471-M475 HydrophobicContact CZ2-CG 3.48Å; W471-M475 VanDerWaalsContact CZ2-CG 3.48Å; W471-M475 HydrophobicContact CZ2-SD 3.84Å; W471-M475 HydrophobicContact CZ3-CG 4.39Å; W471-M475 WeakPolarHBondContact O-CB 3.37Å; W471-M475 WeakPolarHBondContact O-CG 3.37Å; W471-M475 PolarHBondContact O-N 3.15Å
472Y83.9Confident75.5Confident131 Ų13159 Ų5951%0.51430%0.3SS..Hα-helixtrans-60.4-41.2175.7178.8-98.7000112.1P468 S469 T470 M475 K476P468-Y472 VanDerWaalsContact O-CB 3.27Å; P468-Y472 WeakPolarHBondContact O-CB 3.19Å; P468-Y472 PolarHBondContact O-N 2.9Å; S469-Y472 PolarHBondContact O-N 3.48Å; T470-Y472 VanDerWaalsContact C-N 3.33Å; T470-Y472 PolarHBondContact O-N 2.89Å; Y472-M475 CarbonylContact O-C 3.55Å; Y472-M475 PolarHBondContact O-N 2.84Å; Y472-K476 HydrophobicContact CE1-CG 4.08Å; Y472-K476 WeakPolarHBondContact O-CA 3.47Å; Y472-K476 VanDerWaalsContact O-CB 3.24Å; Y472-K476 WeakPolarHBondContact O-CB 3.46Å; Y472-K476 PolarHBondContact O-N 3.44Å
473Q84Confident74.8Confident51 Ų5156 Ų5624%0.23828%0.283CS..Hα-helixtrans-68.2-38.9175.6-72.6169.8-7.200112.2S469 T470 W471 M475 F573S469-Q473 WeakPolarHBondContact O-CG 3.33Å; S469-Q473 PolarHBondContact O-N 3.05Å; T470-Q473 PolarHBondContact O-N 3.48Å; W471-Q473 VanDerWaalsContact C-N 3.34Å; W471-Q473 PolarHBondContact O-N 2.58Å; Q473-M475 VanDerWaalsContact C-N 3.3Å; Q473-M475 PolarHBondContact O-N 3Å; Q473-F573 HydrophobicContact CB-CD1 4.2Å; Q473-F573 HydrophobicContact CB-CE1 4.14Å
474Y84.8Confident74Confident15 Ų1561.9 Ų61.96%0.05931%0.31CS..Hα-helixtrans-61.4-39.4175-179.4-106.6000111.6G386 I388 F466 T470 W471 H569 P571 I608G386-Y474 VanDerWaalsContact C-OH 3.24Å; G386-Y474 WeakPolarHBondContact CA-OH 3.42Å; G386-Y474 WeakPolarHBondContact O-CE2 3.33Å; G386-Y474 PolarHBondContact O-OH 2.88Å; I388-Y474 HydrophobicContact CD1-CE1 4.25Å; I388-Y474 HydrophobicContact CG1-CE1 4.12Å; F466-Y474 HydrophobicContact CE1-CG 4.36Å; F466-Y474 HydrophobicContact CZ-CD1 4.41Å; F466-Y474 HydrophobicContact CZ-CE1 4.47Å; T470-Y474 VanDerWaalsContact O-CB 3.22Å; T470-Y474 WeakPolarHBondContact O-CB 3.17Å; T470-Y474 PolarHBondContact O-N 2.98Å; W471-Y474 AromaticContact CE3-CD1 3.91Å; W471-Y474 HydrophobicContact CE3-CD1 3.91Å; W471-Y474 HydrophobicContact CH2-CD1 4.46Å; W471-Y474 HydrophobicContact CH2-CE1 4.48Å; W471-Y474 AromaticContact CZ3-CD1 3.79Å; W471-Y474 HydrophobicContact CZ3-CD1 3.79Å; W471-Y474 AromaticContact CZ3-CE1 3.95Å; W471-Y474 HydrophobicContact CZ3-CE1 3.95Å; W471-Y474 WeakPolarHBondContact O-CB 3.47Å; W471-Y474 PolarHBondContact O-N 2.84Å; Y474-H569 PolarHBondContact O-CD2 3.26Å; Y474-H569 PolarHBondContact O-NE2 2.9Å; Y474-H569 VanDerWaalsContact O-NE2 3.11Å; Y474-P571 HydrophobicContact CD2-CB 4.48Å; Y474-P571 HydrophobicContact CD2-CG 4.08Å; Y474-I608 HydrophobicContact CD2-CD1 3.72Å; Y474-I608 HydrophobicContact CE2-CD1 3.6Å
475M79.6Confident73.5Confident3 Ų363.5 Ų63.52%0.01532%0.318CS..Hα-helixtrans-100.8-0.8-177.3-67-59.8-70.100115.1I388 P454 W471 Y472 Q473 D477 E478 F483I388-M475 HydrophobicContact CD1-SD 4.26Å; I388-M475 HydrophobicContact CG1-SD 3.93Å; P454-M475 HydrophobicContact CG-CE 3.68Å; W471-M475 HydrophobicContact CD2-CG 3.85Å; W471-M475 HydrophobicContact CE3-CG 4.31Å; W471-M475 HydrophobicContact CG-CG 4.4Å; W471-M475 HydrophobicContact CH2-CG 4.01Å; W471-M475 HydrophobicContact CH2-SD 3.96Å; W471-M475 HydrophobicContact CZ2-CE 4.25Å; W471-M475 HydrophobicContact CZ2-CG 3.48Å; W471-M475 VanDerWaalsContact CZ2-CG 3.48Å; W471-M475 HydrophobicContact CZ2-SD 3.84Å; W471-M475 HydrophobicContact CZ3-CG 4.39Å; W471-M475 WeakPolarHBondContact O-CB 3.37Å; W471-M475 WeakPolarHBondContact O-CG 3.37Å; W471-M475 PolarHBondContact O-N 3.15Å; Y472-M475 CarbonylContact O-C 3.55Å; Y472-M475 PolarHBondContact O-N 2.84Å; Q473-M475 VanDerWaalsContact C-N 3.3Å; Q473-M475 PolarHBondContact O-N 3Å; M475-D477 PolarHBondContact O-N 3.07Å; M475-E478 HydrophobicContact CB-CG 4.25Å; M475-E478 HydrophobicContact CE-CG 3.98Å; M475-E478 WeakPolarHBondContact CE-OE1 3.43Å; M475-E478 PolarHBondContact O-N 2.94Å; M475-F483 HydrophobicContact CE-CE1 3.76Å; M475-F483 HydrophobicContact CE-CZ 3.79Å
476K65.7Low73Confident126 Ų12662.9 Ų62.955%0.54832%0.315SS..THydrogen-bonded Turntrans-40.8-19.8-157.2-167.6174.9174.6-178.50117.6Y472Y472-K476 HydrophobicContact CE1-CG 4.08Å; Y472-K476 WeakPolarHBondContact O-CA 3.47Å; Y472-K476 VanDerWaalsContact O-CB 3.24Å; Y472-K476 WeakPolarHBondContact O-CB 3.46Å; Y472-K476 PolarHBondContact O-N 3.44Å
477D59.4Low72.9Confident57 Ų5762.7 Ų62.731%0.30531%0.314SS..THydrogen-bonded Turntrans-882.2-179.8-139.95.7000115.3M475 N479 S480 F483M475-D477 PolarHBondContact O-N 3.07Å; D477-N479 PolarHBondContact O-N 3.28Å; D477-S480 PolarHBondContact O-N 3.14Å; D477-S480 PolarHBondContact O-OG 3.43Å; D477-S480 WeakPolarHBondContact OD1-CB 3.35Å; D477-S480 PolarHBondContact OD1-OG 3.2Å; D477-F483 HydrophobicContact CB-CD2 3.74Å; D477-F483 HydrophobicContact CB-CE2 4.08Å; D477-F483 HydrophobicContact CB-CG 4.46Å; D477-F483 WeakPolarHBondContact O-CB 3.03Å
478E51.3Low72.9Confident84 Ų8461.6 Ų61.639%0.39331%0.309SS..THydrogen-bonded Turntrans-52.3-28.3-178.9-86.8-175.7173.500115.4M475 F483M475-E478 HydrophobicContact CB-CG 4.25Å; M475-E478 HydrophobicContact CE-CG 3.98Å; M475-E478 WeakPolarHBondContact CE-OE1 3.43Å; M475-E478 PolarHBondContact O-N 2.94Å; E478-F483 HydrophobicContact CB-CD1 4.36Å; E478-F483 HydrophobicContact CB-CE1 4.49Å; E478-F483 HydrophobicContact CG-CD1 3.91Å; E478-F483 HydrophobicContact CG-CE1 3.62Å; E478-F483 HydrophobicContact CG-CZ 4.39Å
479N46.4Very low73.3Confident149 Ų14957.5 Ų57.580%0.79728%0.282SS*.THydrogen-bonded Turntrans-92.4-4.6179.5-70.9-31000113.9D477D477-N479 PolarHBondContact O-N 3.28Å
480S56.4Low73.7Confident34 Ų3455.5 Ų55.524%0.23827%0.266CS..SBendtrans-76.6143.4172.177.40000109.6D477 D482 F483D477-S480 PolarHBondContact O-N 3.14Å; D477-S480 PolarHBondContact O-OG 3.43Å; D477-S480 WeakPolarHBondContact OD1-CB 3.35Å; D477-S480 PolarHBondContact OD1-OG 3.2Å; S480-D482 PolarHBondContact O-N 2.74Å; S480-D482 VanDerWaalsContact O-N 3.07Å; S480-F483 PolarHBondContact O-N 3.37Å
481K56.9Low74.1Confident186 Ų18655.2 Ų55.281%0.80926%0.264SS*.G310 helixtrans-57.5-22172.8-72-175.5176.2-178.20112.2F483K481-F483 VanDerWaalsContact C-N 3.27Å; K481-F483 PolarHBondContact O-N 3.29Å
482D53.9Low74.7Confident77 Ų7754.9 Ų54.941%0.41226%0.262SS..G310 helixtrans-73.2-19.6179.8-72.24.6000112.2S390 S480 K567S390-D482 VanDerWaalsContact CB-O 3.28Å; S390-D482 WeakPolarHBondContact CB-O 3.41Å; S390-D482 PolarHBondContact OG-O 3.18Å; S480-D482 PolarHBondContact O-N 2.74Å; S480-D482 VanDerWaalsContact O-N 3.07Å; D482-K567 IonicContact OD2-NZ 2.89Å
483F63.7Low75.4Confident12 Ų1248.6 Ų48.65%0.05324%0.238CC..G310 helixtrans-92.39.2-177-148.7-97.6000114.3I388 S390 M475 D477 E478 S480 K481 N485 P486I388-F483 HydrophobicContact CB-CE2 4.44Å; I388-F483 HydrophobicContact CB-CZ 4.34Å; I388-F483 HydrophobicContact CG2-CE1 4.37Å; I388-F483 HydrophobicContact CG2-CE2 3.59Å; I388-F483 HydrophobicContact CG2-CZ 3.37Å; S390-F483 WeakPolarHBondContact OG-CD2 3.44Å; M475-F483 HydrophobicContact CE-CE1 3.76Å; M475-F483 HydrophobicContact CE-CZ 3.79Å; D477-F483 HydrophobicContact CB-CD2 3.74Å; D477-F483 HydrophobicContact CB-CE2 4.08Å; D477-F483 HydrophobicContact CB-CG 4.46Å; D477-F483 WeakPolarHBondContact O-CB 3.03Å; E478-F483 HydrophobicContact CB-CD1 4.36Å; E478-F483 HydrophobicContact CB-CE1 4.49Å; E478-F483 HydrophobicContact CG-CD1 3.91Å; E478-F483 HydrophobicContact CG-CE1 3.62Å; E478-F483 HydrophobicContact CG-CZ 4.39Å; S480-F483 PolarHBondContact O-N 3.37Å; K481-F483 VanDerWaalsContact C-N 3.27Å; K481-F483 PolarHBondContact O-N 3.29Å; F483-N485 PolarHBondContact O-N 3.05Å; F483-N485 VanDerWaalsContact O-N 3.12Å; F483-P486 HydrophobicContact CD1-CB 4.18Å; F483-P486 HydrophobicContact CD1-CG 4.04Å; F483-P486 HydrophobicContact CE1-CB 3.96Å; F483-P486 HydrophobicContact CE1-CG 3.96Å; F483-P486 HydrophobicContact CZ-CB 4.19Å; F483-P486 VanDerWaalsContact O-CD 3.3Å; F483-P486 WeakPolarHBondContact O-CD 3.49Å
484E63.8Low76Confident138 Ų13846.2 Ų46.265%0.64523%0.227SC*.G310 helixtrans-64-17.4-179.6-77.2-167.9158.700114
485N76.9Confident76.5Confident39 Ų3946.2 Ų46.221%0.20923%0.228CC..SBendtrans-13767.5-178.4-62.7-75.7000112V391 G394 T396 F483V391-N485 HydrophobicContact CB-CB 4.39Å; V391-N485 WeakPolarHBondContact CB-O 3.39Å; V391-N485 PolarHBondContact N-O 3.49Å; G394-N485 PolarHBondContact O-ND2 3.38Å; T396-N485 HydrophobicContact CG2-CB 3.98Å; T396-N485 WeakPolarHBondContact CG2-O 3.49Å; T396-N485 PolarHBondContact N-OD1 3.21Å; T396-N485 VanDerWaalsContact OG1-C 3.25Å; T396-N485 WeakPolarHBondContact OG1-CA 3.01Å; F483-N485 PolarHBondContact O-N 3.05Å; F483-N485 VanDerWaalsContact O-N 3.12Å
486P82.1Confident77.3Confident3 Ų346.4 Ų46.42%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-78.7147.8-177.728.1-22.8000110.9I388 C389 T396 A452 S453 F483I388-P486 HydrophobicContact CG2-CB 3.98Å; C389-P486 CarbonylContact O-C 3.24Å; C389-P486 WeakPolarHBondContact O-CA 3.2Å; T396-P486 WeakPolarHBondContact CB-O 3.25Å; T396-P486 WeakPolarHBondContact CG2-O 3.43Å; T396-P486 PolarHBondContact OG1-O 3.22Å; A452-P486 CarbonylContact C-O 3.58Å; S453-P486 PolarHBondContact N-O 3.07Å; F483-P486 HydrophobicContact CD1-CB 4.18Å; F483-P486 HydrophobicContact CD1-CG 4.04Å; F483-P486 HydrophobicContact CE1-CB 3.96Å; F483-P486 HydrophobicContact CE1-CG 3.96Å; F483-P486 HydrophobicContact CZ-CB 4.19Å; F483-P486 VanDerWaalsContact O-CD 3.3Å; F483-P486 WeakPolarHBondContact O-CD 3.49Å
487I87Confident78.7Confident0 Ų045.7 Ų45.70%022%0.223CC..EExtended strand (participates in β ladder)trans-116.4156.7164.266.1170.6000109.2I224 F228 C389 V391 T396 V449 I450 I566I224-I487 HydrophobicContact CD1-CG2 3.97Å; I224-I487 HydrophobicContact CG2-CD1 4.37Å; F228-I487 HydrophobicContact CE2-CD1 3.94Å; F228-I487 HydrophobicContact CZ-CD1 4.26Å; C389-I487 HydrophobicContact CB-CD1 4.22Å; C389-I487 HydrophobicContact CB-CG1 3.69Å; C389-I487 PolarHBondContact N-O 3.08Å; C389-I487 PolarHBondContact O-N 2.93Å; V391-I487 HydrophobicContact CG2-CB 4.38Å; V391-I487 HydrophobicContact CG2-CD1 4.22Å; V391-I487 HydrophobicContact CG2-CG1 4.06Å; V391-I487 HydrophobicContact CG2-CG2 3.54Å; T396-I487 HydrophobicContact CG2-CG2 3.43Å; T396-I487 VanDerWaalsContact CG2-CG2 3.43Å; V449-I487 HydrophobicContact CG1-CD1 4.26Å; I450-I487 WeakPolarHBondContact O-CA 3.27Å; I450-I487 WeakPolarHBondContact O-CB 3.39Å; I487-I566 HydrophobicContact CD1-CD1 4.04Å; I487-I566 HydrophobicContact CD1-CG2 3.89Å; I487-I566 HydrophobicContact CG1-CG2 4.44Å
488V88.3Confident80.5Confident18 Ų1843.4 Ų43.411%0.10921%0.212CC..EExtended strand (participates in β ladder)trans-109.5123.1174.2-1750000108.6I388 I450 L490I388-V488 HydrophobicContact CD1-CG1 4.36Å; I388-V488 HydrophobicContact CD1-CG2 3.86Å; I450-V488 HydrophobicContact CB-CB 4.31Å; I450-V488 PolarHBondContact N-O 3.03Å; I450-V488 PolarHBondContact O-N 3.09Å; V488-L490 HydrophobicContact CG1-CD2 3.6Å; V488-L490 HydrophobicContact CG1-CG 4.22Å
489L92.8Very high82.6Confident0 Ų043.7 Ų43.70%021%0.209CC..EExtended strand (participates in β ladder)trans-102.7107.1170.6178.469.4000108.3F228 L387 Y447 V449 I491 I539F228-L489 HydrophobicContact CZ-CD1 4.48Å; L387-L489 HydrophobicContact CB-CB 4.32Å; L387-L489 HydrophobicContact CD2-CD2 4.24Å; L387-L489 PolarHBondContact N-O 2.97Å; L387-L489 PolarHBondContact O-N 3.29Å; Y447-L489 HydrophobicContact CD1-CD1 4.23Å; Y447-L489 HydrophobicContact CD1-CD2 4.38Å; Y447-L489 HydrophobicContact CD1-CG 4.49Å; V449-L489 HydrophobicContact CG2-CD1 3.86Å; L489-I491 HydrophobicContact CD2-CD1 4.14Å; L489-I491 HydrophobicContact CD2-CG1 4.21Å; L489-I491 HydrophobicContact CG-CD1 4.49Å; L489-I491 HydrophobicContact CG-CG1 4.07Å; L489-I539 HydrophobicContact CD2-CG1 3.81Å; L489-I539 HydrophobicContact CD2-CG2 4.03Å
490L95.1Very high84.9Confident29 Ų2936.8 Ų36.815%0.15217%0.173CC..EExtended strand (participates in β ladder)trans-86.5124.5173.9-52.9176.7000109.1M384 Y447 T448 I450 V488M384-L490 HydrophobicContact CE-CD2 4.38Å; M384-L490 HydrophobicContact SD-CB 4.35Å; M384-L490 HydrophobicContact SD-CD1 4.15Å; M384-L490 HydrophobicContact SD-CD2 4.04Å; M384-L490 HydrophobicContact SD-CG 4.42Å; Y447-L490 CarbonylContact C-O 3.47Å; Y447-L490 WeakPolarHBondContact CA-O 3.46Å; T448-L490 PolarHBondContact N-O 3.35Å; T448-L490 PolarHBondContact O-N 2.97Å; I450-L490 HydrophobicContact CD1-CD1 3.69Å; I450-L490 HydrophobicContact CD1-CG 4.16Å; V488-L490 HydrophobicContact CG1-CD2 3.6Å; V488-L490 HydrophobicContact CG1-CG 4.22Å
491I97.7Very high86.8Confident0 Ų036.9 Ų36.90%017%0.171CC..EExtended strand (participates in β ladder)trans-112.2109.1-179.4-52.7174.3000107M384 I385 L387 I445 Q446 Y447 L489 I536 I539M384-I491 CarbonylContact C-O 3.31Å; M384-I491 WeakPolarHBondContact CA-O 3.36Å; M384-I491 WeakPolarHBondContact CB-O 3.38Å; I385-I491 PolarHBondContact N-O 3.3Å; I385-I491 PolarHBondContact O-N 3.19Å; L387-I491 HydrophobicContact CB-CD1 4.35Å; I445-I491 HydrophobicContact CG2-CG2 3.94Å; Q446-I491 WeakPolarHBondContact O-CA 3.44Å; Y447-I491 HydrophobicContact CD1-CG1 3.92Å; Y447-I491 HydrophobicContact CD1-CG2 4.31Å; Y447-I491 HydrophobicContact CE1-CD1 4.29Å; Y447-I491 HydrophobicContact CE1-CG1 4.04Å; Y447-I491 HydrophobicContact CE1-CG2 3.93Å; L489-I491 HydrophobicContact CD2-CD1 4.14Å; L489-I491 HydrophobicContact CD2-CG1 4.21Å; L489-I491 HydrophobicContact CG-CD1 4.49Å; L489-I491 HydrophobicContact CG-CG1 4.07Å; I491-I536 HydrophobicContact CD1-CB 4.46Å; I491-I536 HydrophobicContact CD1-CG1 3.7Å; I491-I536 HydrophobicContact CG2-CG1 4.26Å; I491-I539 HydrophobicContact CD1-CG2 3.97Å
492S98.3Very high88.7Confident0 Ų028 Ų280%013%0.132CC..EExtended strand (participates in β ladder)trans-114.6139-171.3-50.20000111.3P383 I445 Q446 N612P383-S492 WeakPolarHBondContact O-CA 3.49Å; I445-S492 WeakPolarHBondContact CA-O 3.45Å; Q446-S492 PolarHBondContact N-O 2.97Å; Q446-S492 PolarHBondContact O-N 3.4Å; S492-N612 WeakPolarHBondContact CB-ND2 3.39Å; S492-N612 PolarHBondContact OG-ND2 2.9Å; S492-N612 PolarHBondContact OG-OD1 3.49Å
493L98.6Very high90.7Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-85.1118.1168.9-177.163.6000109.2H382 P383 D444 I445 P496 D528 R531 L532H382-L493 WeakPolarHBondContact CA-O 3.33Å; H382-L493 WeakPolarHBondContact CB-O 3.41Å; H382-L493 PolarHBondContact CD2-O 2.79Å; P383-L493 HydrophobicContact CG-CB 3.99Å; P383-L493 HydrophobicContact CG-CD2 4.14Å; P383-L493 PolarHBondContact O-N 3.33Å; D444-L493 CarbonylContact O-C 3.16Å; D444-L493 WeakPolarHBondContact O-CA 3.49Å; I445-L493 HydrophobicContact CD1-CD1 4.3Å; L493-P496 HydrophobicContact CD2-CB 3.81Å; L493-P496 HydrophobicContact CG-CB 4.21Å; L493-D528 HydrophobicContact CD2-CB 3.49Å; L493-D528 VanDerWaalsContact CD2-CB 3.49Å; L493-R531 HydrophobicContact CD1-CB 3.86Å; L493-L532 HydrophobicContact CB-CD1 4.33Å; L493-L532 HydrophobicContact CB-CD2 3.93Å; L493-L532 HydrophobicContact CB-CG 4.02Å; L493-L532 HydrophobicContact CD2-CG 4.47Å
494L98.1Very high92Very high1 Ų125.7 Ų25.71%0.00512%0.121CC..SBendtrans-87.6-29.8-175.2-66.9-178.7000113.9H382 Y429 P443 D444 Q446 P496 T657H382-L494 VanDerWaalsContact CD2-CA 3.43Å; H382-L494 WeakPolarHBondContact CD2-CA 3.46Å; H382-L494 PolarHBondContact CD2-O 3.2Å; H382-L494 VanDerWaalsContact CD2-O 3.29Å; H382-L494 PolarHBondContact NE2-O 3.18Å; Y429-L494 HydrophobicContact CD1-CD1 3.73Å; Y429-L494 HydrophobicContact CE1-CD1 3.8Å; P443-L494 HydrophobicContact CB-CD1 4.49Å; P443-L494 HydrophobicContact CG-CD1 4.29Å; D444-L494 PolarHBondContact O-N 2.72Å; Q446-L494 HydrophobicContact CB-CD1 3.95Å; Q446-L494 HydrophobicContact CB-CD2 3.8Å; Q446-L494 HydrophobicContact CB-CG 3.91Å; L494-P496 WeakPolarHBondContact O-CD 3.25Å; L494-T657 HydrophobicContact CB-CG2 4.43Å; L494-T657 HydrophobicContact CD1-CG2 3.66Å
495N94.9Very high93.2Very high15 Ų1522.1 Ų22.18%0.0810%0.104CC..SBendtrans-12458.2-175.3-73.1-68.6000111.5P443 D444P443-N495 PolarHBondContact O-ND2 2.82Å; D444-N495 HydrophobicContact CB-CB 4.47Å
496P95.9Very high93.6Very high7 Ų722.6 Ų22.65%0.04510%0.104CC..  trans-65.3148.1-177.626.1-31.2000111.6D381 L493 L494 R499D381-P496 VanDerWaalsContact O-CG 3.25Å; D381-P496 WeakPolarHBondContact O-CG 3.46Å; L493-P496 HydrophobicContact CD2-CB 3.81Å; L493-P496 HydrophobicContact CG-CB 4.21Å; L494-P496 WeakPolarHBondContact O-CD 3.25Å; P496-R499 PolarHBondContact O-NH1 2.56Å; P496-R499 PolarHBondContact O-NH2 2.82Å
497R95.1Very high93.8Very high110 Ų11025.7 Ų25.742%0.41512%0.12SC..  trans-92.4-29172.8-65.7-171.1174.6170.4-4.3112.8E438 R499 E525 S527 D528E438-R497 IonicContact OE1-CZ 3.26Å; E438-R497 IonicContact OE1-NH2 3.87Å; E438-R497 PolarHBondContact OE1-NH2 2.74Å; E438-R497 IonicContact OE2-NH2 3.63Å; E438-R497 PolarHBondContact OE2-NH2 2.86Å; R497-R499 VanDerWaalsContact C-NH1 3.31Å; R497-R499 PolarHBondContact O-NH1 3.28Å; R497-R499 VanDerWaalsContact O-NH1 3.16Å; R497-E525 HydrophobicContact CB-CB 4.05Å; R497-E525 HydrophobicContact CB-CG 3.85Å; R497-S527 WeakPolarHBondContact CD-OG 3.48Å; R497-S527 PolarHBondContact NH1-OG 2.74Å; R497-D528 PolarHBondContact N-OD1 3.3Å; R497-D528 PolarHBondContact N-OD2 3Å; R497-D528 VanDerWaalsContact N-OD2 3.17Å
498S96.6Very high93.7Very high9 Ų934 Ų346%0.06317%0.165CC..  trans-57.2138.3176.2-56.80000111S521 L523 C524 E525 D528S498-S521 VanDerWaalsContact CB-O 3.28Å; S498-S521 WeakPolarHBondContact CB-O 3.43Å; S498-L523 PolarHBondContact OG-N 3.2Å; S498-C524 PolarHBondContact OG-N 2.81Å; S498-C524 VanDerWaalsContact OG-N 3.15Å; S498-E525 PolarHBondContact OG-N 2.93Å; S498-E525 VanDerWaalsContact OG-N 3.12Å; S498-D528 VanDerWaalsContact CB-OD2 3.25Å; S498-D528 WeakPolarHBondContact CB-OD2 3.49Å; S498-D528 PolarHBondContact N-OD2 2.61Å; S498-D528 PolarHBondContact OG-OD2 3.2Å
499R95.4Very high93.6Very high90 Ų9037.4 Ų37.434%0.3419%0.189SC..  trans-127.2130.6178.4-65-65175.6-92.70.6110.2N378 H380 P496 R497 S521N378-R499 VanDerWaalsContact OD1-CD 3.31Å; N378-R499 WeakPolarHBondContact OD1-CD 3.4Å; N378-R499 PolarHBondContact OD1-NE 3.41Å; H380-R499 PolarHBondContact CE1-NE 2.79Å; H380-R499 PolarHBondContact CE1-NH2 3.44Å; H380-R499 PolarHBondContact NE2-NE 2.81Å; H380-R499 VanDerWaalsContact NE2-NE 3.11Å; P496-R499 PolarHBondContact O-NH1 2.56Å; P496-R499 PolarHBondContact O-NH2 2.82Å; R497-R499 VanDerWaalsContact C-NH1 3.31Å; R497-R499 PolarHBondContact O-NH1 3.28Å; R497-R499 VanDerWaalsContact O-NH1 3.16Å; R499-S521 WeakPolarHBondContact O-CB 3.48Å
500G96Very high92.9Very high4 Ų441.9 Ų41.94%0.04121%0.213CC..BIsolated β-bridgetrans-98.6-172.7174.400000113.3N378 L379 N519 P520N378-G500 PolarHBondContact N-O 2.98Å; L379-G500 VanDerWaalsContact CB-C 3.48Å; L379-G500 PolarHBondContact N-O 2.97Å; L379-G500 PolarHBondContact O-N 2.84Å; G500-N519 CarbonylContact C-O 3.48Å; G500-N519 WeakPolarHBondContact CA-O 3.38Å; G500-P520 PolarHBondContact N-O 3.17Å
501N96.5Very high92.2Very high36 Ų3644.7 Ų44.719%0.19323%0.225CC..EExtended strand (participates in β ladder)trans-150.9168.8170.45820000113.1G376 N519G376-N501 CarbonylContact O-C 3.32Å; G376-N501 WeakPolarHBondContact O-CA 3.42Å; G376-N501 WeakPolarHBondContact O-CB 3.36Å; N501-N519 PolarHBondContact N-O 3.43Å; N501-N519 PolarHBondContact O-N 3.47Å
502I96.2Very high91.2Very high0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-123.1120.5169.7-60.6-170.5000107.7T343 V344 P347 G376 L379 V516 K517 I518 T618T343-I502 WeakPolarHBondContact O-CD1 3.35Å; V344-I502 HydrophobicContact CB-CD1 4.13Å; V344-I502 HydrophobicContact CG1-CD1 4.26Å; V344-I502 HydrophobicContact CG2-CD1 4Å; P347-I502 HydrophobicContact CG-CB 4.37Å; P347-I502 HydrophobicContact CG-CD1 4.1Å; P347-I502 HydrophobicContact CG-CG2 4.28Å; G376-I502 VanDerWaalsContact CA-O 3.31Å; G376-I502 WeakPolarHBondContact CA-O 3.35Å; G376-I502 PolarHBondContact O-N 2.93Å; L379-I502 HydrophobicContact CD2-CG1 4.26Å; I502-V516 HydrophobicContact CG2-CB 3.68Å; I502-V516 HydrophobicContact CG2-CG1 4.06Å; I502-V516 HydrophobicContact CG2-CG2 3.82Å; I502-K517 VanDerWaalsContact CA-O 3.31Å; I502-K517 WeakPolarHBondContact CA-O 3.16Å; I502-I518 HydrophobicContact CG1-CG2 4.46Å; I502-T618 HydrophobicContact CD1-CG2 3.79Å; I502-T618 HydrophobicContact CG1-CG2 3.95Å
503T95.1Very high90.6Very high26 Ų2650 Ų5016%0.1626%0.259CS..EExtended strand (participates in β ladder)trans-124.1158.8-179.465.80000110.1E360 V516 K517E360-T503 WeakPolarHBondContact OE1-CB 3.15Å; E360-T503 WeakPolarHBondContact OE1-CG2 3.36Å; T503-V516 CarbonylContact O-C 3.24Å; T503-V516 WeakPolarHBondContact O-CA 3.25Å; T503-V516 WeakPolarHBondContact O-CB 3.17Å; T503-K517 PolarHBondContact N-O 2.92Å; T503-K517 VanDerWaalsContact N-O 3.15Å; T503-K517 PolarHBondContact O-N 3.02Å
504M91.4Very high89.6Confident15 Ų1551.1 Ų51.17%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-61.2144170.3-73.2-67.9-65.700110.2L351 R352 E360 Y506 P512 V516L351-M504 HydrophobicContact CB-CG 3.95Å; L351-M504 HydrophobicContact CB-SD 3.96Å; L351-M504 HydrophobicContact CD1-CG 4.19Å; R352-M504 HydrophobicContact CG-CE 4.28Å; R352-M504 HydrophobicContact CG-SD 4.21Å; E360-M504 WeakPolarHBondContact OE2-CB 3.38Å; E360-M504 PolarHBondContact OE2-N 2.93Å; M504-Y506 HydrophobicContact CB-CD2 4.34Å; M504-Y506 HydrophobicContact CB-CE2 3.45Å; M504-Y506 VanDerWaalsContact CB-CE2 3.45Å; M504-Y506 WeakPolarHBondContact CB-OH 3.28Å; M504-P512 HydrophobicContact CE-CB 3.73Å; M504-V516 HydrophobicContact SD-CG1 4.33Å
505E89.8Confident89Confident62 Ų6255 Ų5529%0.2929%0.291SS..EExtended strand (participates in β ladder)trans-91.2134167.7-179.4171.3-125.500109.9P512 T513 N515 K517E505-P512 WeakPolarHBondContact O-CA 3.17Å; E505-T513 WeakPolarHBondContact CB-OG1 3.28Å; E505-T513 HydrophobicContact CG-CG2 3.86Å; E505-T513 WeakPolarHBondContact CG-OG1 3.44Å; E505-T513 PolarHBondContact O-N 3.2Å; E505-T513 PolarHBondContact O-OG1 3.39Å; E505-T513 PolarHBondContact OE2-OG1 3.32Å; E505-N515 HydrophobicContact CB-CB 4.31Å; E505-N515 PolarHBondContact N-O 3.47Å; E505-N515 WeakPolarHBondContact OE2-CB 3.5Å; E505-K517 HydrophobicContact CB-CG 4.01Å; E505-K517 HydrophobicContact CG-CG 4.35Å
506Y85.4Confident89Confident49 Ų4955.2 Ų55.219%0.19229%0.293CS..EExtended strand (participates in β ladder)trans-119.9144.4175.4-60.5-92000109.2E360 P362 M504 D510 Q511 P512E360-Y506 PolarHBondContact O-OH 3.07Å; P362-Y506 HydrophobicContact CG-CD1 4.49Å; P362-Y506 HydrophobicContact CG-CE1 3.97Å; M504-Y506 HydrophobicContact CB-CD2 4.34Å; M504-Y506 HydrophobicContact CB-CE2 3.45Å; M504-Y506 VanDerWaalsContact CB-CE2 3.45Å; M504-Y506 WeakPolarHBondContact CB-OH 3.28Å; Y506-D510 WeakPolarHBondContact CD1-O 3.39Å; Y506-Q511 CarbonylContact C-O 3.56Å; Y506-Q511 VanDerWaalsContact CA-O 3.24Å; Y506-Q511 WeakPolarHBondContact CA-O 3.45Å; Y506-P512 HydrophobicContact CD1-CB 4.46Å; Y506-P512 HydrophobicContact CD1-CG 4.32Å; Y506-P512 HydrophobicContact CE1-CB 4.24Å; Y506-P512 HydrophobicContact CE1-CG 3.92Å
507D85.7Confident89Confident68 Ų6859 Ų5936%0.36431%0.309SS..  trans-76.2178.8169.366.421.2000111.6S509 D510 Q511 T513D507-S509 PolarHBondContact O-N 3.39Å; D507-S509 VanDerWaalsContact O-N 3.08Å; D507-S509 VanDerWaalsContact OD1-C 3.31Å; D507-S509 VanDerWaalsContact OD1-CA 3.31Å; D507-S509 WeakPolarHBondContact OD1-CA 3.25Å; D507-S509 WeakPolarHBondContact OD1-CB 3.48Å; D507-S509 PolarHBondContact OD1-N 2.99Å; D507-D510 PolarHBondContact O-N 3.04Å; D507-D510 PolarHBondContact OD1-N 2.91Å; D507-Q511 PolarHBondContact N-O 3.24Å; D507-Q511 PolarHBondContact OD1-N 2.81Å; D507-T513 HydrophobicContact CB-CG2 4.1Å
508D85.8Confident89.1Confident176 Ų17653.9 Ų53.994%0.94129%0.29SS*.THydrogen-bonded Turntrans-64.3-11.1-180-62.3-28.7000113.6
509S84.6Confident89.1Confident89 Ų8955.6 Ų55.662%0.62230%0.298SS*.THydrogen-bonded Turntrans-101.216175.3-58.30000112.4D507 Q511D507-S509 PolarHBondContact O-N 3.39Å; D507-S509 VanDerWaalsContact O-N 3.08Å; D507-S509 VanDerWaalsContact OD1-C 3.31Å; D507-S509 VanDerWaalsContact OD1-CA 3.31Å; D507-S509 WeakPolarHBondContact OD1-CA 3.25Å; D507-S509 WeakPolarHBondContact OD1-CB 3.48Å; D507-S509 PolarHBondContact OD1-N 2.99Å; S509-Q511 PolarHBondContact O-N 2.94Å; S509-Q511 VanDerWaalsContact O-N 3.17Å
510D79Confident89.2Confident94 Ų9451.5 Ų51.550%0.50328%0.283SS..SBendtrans5427.2-175.1-65-46.4000113.8F364 Y506 D507F364-D510 HydrophobicContact CE2-CB 4.18Å; F364-D510 WeakPolarHBondContact CE2-O 3.36Å; F364-D510 HydrophobicContact CZ-CB 3.53Å; Y506-D510 WeakPolarHBondContact CD1-O 3.39Å; D507-D510 PolarHBondContact O-N 3.04Å; D507-D510 PolarHBondContact OD1-N 2.91Å
511Q79.3Confident89.3Confident87 Ų8752.6 Ų52.641%0.40729%0.29SS..  trans-91.7138.5173.2-61.9-55.3-50.700110.6Y506 D507 S509 T513Y506-Q511 CarbonylContact C-O 3.56Å; Y506-Q511 VanDerWaalsContact CA-O 3.24Å; Y506-Q511 WeakPolarHBondContact CA-O 3.45Å; D507-Q511 PolarHBondContact N-O 3.24Å; D507-Q511 PolarHBondContact OD1-N 2.81Å; S509-Q511 PolarHBondContact O-N 2.94Å; S509-Q511 VanDerWaalsContact O-N 3.17Å; Q511-T513 PolarHBondContact O-N 2.89Å
512P78.3Confident89.3Confident55 Ų5551.3 Ų51.336%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-62.2124.1177.4-12.623.6000110.2M504 E505 Y506 G514M504-P512 HydrophobicContact CE-CB 3.73Å; E505-P512 WeakPolarHBondContact O-CA 3.17Å; Y506-P512 HydrophobicContact CD1-CB 4.46Å; Y506-P512 HydrophobicContact CD1-CG 4.32Å; Y506-P512 HydrophobicContact CE1-CB 4.24Å; Y506-P512 HydrophobicContact CE1-CG 3.92Å; P512-G514 PolarHBondContact O-N 3.15Å
513T84.1Confident89.4Confident58 Ų5851.5 Ų51.536%0.35628%0.283SS..EExtended strand (participates in β ladder)trans-71.6-12.1178.264.20000112.5E505 D507 Q511 N515E505-T513 WeakPolarHBondContact CB-OG1 3.28Å; E505-T513 HydrophobicContact CG-CG2 3.86Å; E505-T513 WeakPolarHBondContact CG-OG1 3.44Å; E505-T513 PolarHBondContact O-N 3.2Å; E505-T513 PolarHBondContact O-OG1 3.39Å; E505-T513 PolarHBondContact OE2-OG1 3.32Å; D507-T513 HydrophobicContact CB-CG2 4.1Å; Q511-T513 PolarHBondContact O-N 2.89Å; T513-N515 VanDerWaalsContact C-N 3.33Å; T513-N515 PolarHBondContact OG1-N 3.46Å
514G78.5Confident89.5Confident22 Ų2254.1 Ų54.123%0.22730%0.302CS..EExtended strand (participates in β ladder)trans75.224.1-16800000112.3R352 P512R352-G514 PolarHBondContact NH2-O 2.93Å; P512-G514 PolarHBondContact O-N 3.15Å
515N86.4Confident89.8Confident84 Ų8458 Ų5845%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-126.1174.2168.3-64-44.3000110.5E505 T513E505-N515 HydrophobicContact CB-CB 4.31Å; E505-N515 PolarHBondContact N-O 3.47Å; E505-N515 WeakPolarHBondContact OE2-CB 3.5Å; T513-N515 VanDerWaalsContact C-N 3.33Å; T513-N515 PolarHBondContact OG1-N 3.46Å
516V93.2Very high90.1Very high19 Ų1959.9 Ų59.912%0.11533%0.332CS..EExtended strand (participates in β ladder)trans-121.9148.7173.2-66.70000110.8V344 E348 I502 T503 M504 I518V344-V516 HydrophobicContact CG1-CG2 4.19Å; E348-V516 HydrophobicContact CB-CG1 3.76Å; E348-V516 HydrophobicContact CG-CG1 3.71Å; I502-V516 HydrophobicContact CG2-CB 3.68Å; I502-V516 HydrophobicContact CG2-CG1 4.06Å; I502-V516 HydrophobicContact CG2-CG2 3.82Å; T503-V516 CarbonylContact O-C 3.24Å; T503-V516 WeakPolarHBondContact O-CA 3.25Å; T503-V516 WeakPolarHBondContact O-CB 3.17Å; M504-V516 HydrophobicContact SD-CG1 4.33Å; V516-I518 HydrophobicContact CG2-CG1 4.44Å
517K95.9Very high90.7Very high87 Ų8758.4 Ų58.438%0.37833%0.328SS..EExtended strand (participates in β ladder)trans-89.7128.7169.1-62.6-174.1-177.4176.20108.5T144 I502 T503 E505T144-K517 HydrophobicContact CG2-CB 3.81Å; T144-K517 HydrophobicContact CG2-CG 4.41Å; I502-K517 VanDerWaalsContact CA-O 3.31Å; I502-K517 WeakPolarHBondContact CA-O 3.16Å; T503-K517 PolarHBondContact N-O 2.92Å; T503-K517 VanDerWaalsContact N-O 3.15Å; T503-K517 PolarHBondContact O-N 3.02Å; E505-K517 HydrophobicContact CB-CG 4.01Å; E505-K517 HydrophobicContact CG-CG 4.35Å
518I97.5Very high91.2Very high2 Ų255.1 Ų55.11%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-106.6107177.5-52.9168.7000108.1E141 T143 T144 L160 V344 L379 I502 V516 P520 L615E141-I518 HydrophobicContact CB-CD1 3.72Å; E141-I518 HydrophobicContact CG-CD1 4.3Å; T143-I518 CarbonylContact C-O 3.48Å; T143-I518 WeakPolarHBondContact CA-O 2.91Å; T143-I518 WeakPolarHBondContact CB-O 3.48Å; T144-I518 PolarHBondContact N-O 3Å; T144-I518 PolarHBondContact OG1-O 3.14Å; L160-I518 HydrophobicContact CD1-CG2 3.93Å; V344-I518 HydrophobicContact CG1-CD1 3.65Å; V344-I518 HydrophobicContact CG1-CG1 4.16Å; V344-I518 HydrophobicContact CG2-CD1 4Å; L379-I518 HydrophobicContact CD2-CG2 4.06Å; I502-I518 HydrophobicContact CG1-CG2 4.46Å; V516-I518 HydrophobicContact CG2-CG1 4.44Å; I518-P520 WeakPolarHBondContact O-CD 3.42Å; I518-L615 HydrophobicContact CG2-CD2 4.49Å
519N97.8Very high91.8Very high44 Ų4446.9 Ų46.924%0.23527%0.267CS..EExtended strand (participates in β ladder)trans-115.394.3178.1-179.722.3000110.8T144 Q146 G500 N501 S521T144-N519 HydrophobicContact CG2-CB 4.38Å; T144-N519 WeakPolarHBondContact OG1-CA 3.34Å; T144-N519 VanDerWaalsContact OG1-CB 3.31Å; T144-N519 WeakPolarHBondContact OG1-CB 3.39Å; T144-N519 PolarHBondContact OG1-OD1 2.82Å; Q146-N519 PolarHBondContact NE2-OD1 2.93Å; G500-N519 CarbonylContact C-O 3.48Å; G500-N519 WeakPolarHBondContact CA-O 3.38Å; N501-N519 PolarHBondContact N-O 3.43Å; N501-N519 PolarHBondContact O-N 3.47Å; N519-S521 PolarHBondContact ND2-OG 2.58Å; N519-S521 PolarHBondContact O-N 2.85Å; N519-S521 PolarHBondContact OD1-N 3.08Å; N519-S521 PolarHBondContact OD1-OG 3.37Å
520P97.5Very high92.5Very high5 Ų544.1 Ų44.13%0.03225%0.245CC..  trans-70.3-17.8178.827.7-34.6000114.2T143 L379 G500 I518 Y522T143-P520 HydrophobicContact CG2-CG 3.76Å; L379-P520 HydrophobicContact CD2-CB 4.38Å; G500-P520 PolarHBondContact N-O 3.17Å; I518-P520 WeakPolarHBondContact O-CD 3.42Å; P520-Y522 HydrophobicContact CB-CD1 3.69Å; P520-Y522 HydrophobicContact CB-CE1 3.36Å; P520-Y522 HydrophobicContact CB-CE2 4.26Å; P520-Y522 HydrophobicContact CB-CG 4.24Å; P520-Y522 HydrophobicContact CG-CD1 4.36Å; P520-Y522 HydrophobicContact CG-CD2 4.4Å; P520-Y522 HydrophobicContact CG-CE1 4.17Å; P520-Y522 HydrophobicContact CG-CE2 4.2Å; P520-Y522 HydrophobicContact CG-CG 4.44Å; P520-Y522 PolarHBondContact O-N 3.46Å
521S97Very high93.4Very high26 Ų2639.8 Ų39.818%0.18222%0.222CC..  trans52.338.8-179.3-57.50000113.7S498 R499 N519 L523 C524S498-S521 VanDerWaalsContact CB-O 3.28Å; S498-S521 WeakPolarHBondContact CB-O 3.43Å; R499-S521 WeakPolarHBondContact O-CB 3.48Å; N519-S521 PolarHBondContact ND2-OG 2.58Å; N519-S521 PolarHBondContact O-N 2.85Å; N519-S521 PolarHBondContact OD1-N 3.08Å; N519-S521 PolarHBondContact OD1-OG 3.37Å; S521-L523 PolarHBondContact O-N 2.85Å; S521-C524 WeakPolarHBondContact O-CB 3.3Å; S521-C524 PolarHBondContact O-N 2.94Å
522Y97.6Very high94.3Very high9 Ų935.7 Ų35.74%0.03520%0.202CC..THydrogen-bonded Turntrans-58.6139.4-177.6-66.1-24.7000111.4S149 I158 D381 P383 P520 C524 T609 S611S149-Y522 WeakPolarHBondContact CB-O 3.37Å; S149-Y522 WeakPolarHBondContact OG-CB 3.21Å; I158-Y522 HydrophobicContact CD1-CD2 3.36Å; I158-Y522 HydrophobicContact CD1-CE2 3.38Å; D381-Y522 HydrophobicContact CB-CE1 3.64Å; D381-Y522 WeakPolarHBondContact CB-OH 3.42Å; D381-Y522 PolarHBondContact OD2-OH 2.55Å; P383-Y522 HydrophobicContact CB-CD1 4.18Å; P383-Y522 HydrophobicContact CB-CD2 4.24Å; P383-Y522 HydrophobicContact CB-CG 4.05Å; P520-Y522 HydrophobicContact CB-CD1 3.69Å; P520-Y522 HydrophobicContact CB-CE1 3.36Å; P520-Y522 HydrophobicContact CB-CE2 4.26Å; P520-Y522 HydrophobicContact CB-CG 4.24Å; P520-Y522 HydrophobicContact CG-CD1 4.36Å; P520-Y522 HydrophobicContact CG-CD2 4.4Å; P520-Y522 HydrophobicContact CG-CE1 4.17Å; P520-Y522 HydrophobicContact CG-CE2 4.2Å; P520-Y522 HydrophobicContact CG-CG 4.44Å; P520-Y522 PolarHBondContact O-N 3.46Å; Y522-C524 PolarHBondContact O-N 3.36Å; Y522-C524 VanDerWaalsContact O-N 3.16Å; Y522-T609 HydrophobicContact CD2-CG2 3.92Å; Y522-T609 HydrophobicContact CG-CG2 4.45Å; Y522-S611 VanDerWaalsContact OH-CB 3.27Å; Y522-S611 WeakPolarHBondContact OH-CB 3.16Å; Y522-S611 PolarHBondContact OH-OG 3.48Å
523L97.6Very high95.3Very high4 Ų433.2 Ų33.22%0.02119%0.186CC..THydrogen-bonded Turntrans59.222.6175.7-49.1-175.7000114.5S148 S498 S521 E525 D528 V529 L532 V605 T609S148-L523 WeakPolarHBondContact CB-O 3.5Å; S498-L523 PolarHBondContact OG-N 3.2Å; S521-L523 PolarHBondContact O-N 2.85Å; L523-E525 PolarHBondContact O-N 2.94Å; L523-D528 HydrophobicContact CD2-CB 4.02Å; L523-V529 HydrophobicContact CB-CG2 3.87Å; L523-V529 HydrophobicContact CD1-CG2 4.45Å; L523-V529 HydrophobicContact CD2-CG2 4.47Å; L523-L532 HydrophobicContact CD2-CD1 3.65Å; L523-V605 HydrophobicContact CD1-CG1 3.51Å; L523-T609 HydrophobicContact CD1-CG2 4.39Å; L523-T609 WeakPolarHBondContact CD1-OG1 3.48Å
524C96.7Very high95.9Very high82 Ų8232 Ų3255%0.55418%0.177SC*.  trans-63.4-36172.2-164.20000110.7S498 S521 Y522S498-C524 PolarHBondContact OG-N 2.81Å; S498-C524 VanDerWaalsContact OG-N 3.15Å; S521-C524 WeakPolarHBondContact O-CB 3.3Å; S521-C524 PolarHBondContact O-N 2.94Å; Y522-C524 PolarHBondContact O-N 3.36Å; Y522-C524 VanDerWaalsContact O-N 3.16Å
525E97.3Very high96.8Very high95 Ų9531 Ų3144%0.44417%0.166SC..SBendtrans-83.9123.2173.7-71-66.7145.700111.5R497 S498 L523 S527 D528R497-E525 HydrophobicContact CB-CB 4.05Å; R497-E525 HydrophobicContact CB-CG 3.85Å; S498-E525 PolarHBondContact OG-N 2.93Å; S498-E525 VanDerWaalsContact OG-N 3.12Å; L523-E525 PolarHBondContact O-N 2.94Å; E525-S527 PolarHBondContact O-N 3.23Å; E525-S527 VanDerWaalsContact O-N 3.11Å; E525-D528 WeakPolarHBondContact O-CB 3.42Å; E525-D528 PolarHBondContact O-N 2.88Å
526L96.7Very high97.3Very high103 Ų10327.2 Ų27.254%0.53915%0.146SC..Hα-helixtrans-58-29.9178-177.262.7000112.5D528 V529 N530L526-D528 PolarHBondContact O-N 3.17Å; L526-V529 HydrophobicContact CD1-CB 4.46Å; L526-V529 WeakPolarHBondContact O-CB 3.36Å; L526-V529 PolarHBondContact O-N 2.66Å; L526-N530 PolarHBondContact O-N 3.42Å; L526-N530 PolarHBondContact O-ND2 2.94Å
527S97.2Very high97.5Very high17 Ų1727.8 Ų27.812%0.11915%0.148CC..Hα-helixtrans-55.8-37.2173.9175.70000113.3R497 E525 R531R497-S527 WeakPolarHBondContact CD-OG 3.48Å; R497-S527 PolarHBondContact NH1-OG 2.74Å; E525-S527 PolarHBondContact O-N 3.23Å; E525-S527 VanDerWaalsContact O-N 3.11Å; S527-R531 WeakPolarHBondContact O-CG 3.48Å; S527-R531 PolarHBondContact O-N 3.31Å; S527-R531 PolarHBondContact OG-NH1 3.21Å
528D98.2Very high97.4Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-72.5-40.6-179.8-67.1-14.7000110.8L493 R497 S498 L523 E525 L526 R531 L532L493-D528 HydrophobicContact CD2-CB 3.49Å; L493-D528 VanDerWaalsContact CD2-CB 3.49Å; R497-D528 PolarHBondContact N-OD1 3.3Å; R497-D528 PolarHBondContact N-OD2 3Å; R497-D528 VanDerWaalsContact N-OD2 3.17Å; S498-D528 VanDerWaalsContact CB-OD2 3.25Å; S498-D528 WeakPolarHBondContact CB-OD2 3.49Å; S498-D528 PolarHBondContact N-OD2 2.61Å; S498-D528 PolarHBondContact OG-OD2 3.2Å; L523-D528 HydrophobicContact CD2-CB 4.02Å; E525-D528 WeakPolarHBondContact O-CB 3.42Å; E525-D528 PolarHBondContact O-N 2.88Å; L526-D528 PolarHBondContact O-N 3.17Å; D528-R531 PolarHBondContact O-N 2.78Å; D528-L532 PolarHBondContact O-N 2.84Å; D528-L532 VanDerWaalsContact O-N 3.16Å
529V98.4Very high97.3Very high2 Ų225 Ų251%0.01214%0.135CC..Hα-helixtrans-59.4-51.1174.6-179.50000110.2L523 L526 R531 L532 V533 E602L523-V529 HydrophobicContact CB-CG2 3.87Å; L523-V529 HydrophobicContact CD1-CG2 4.45Å; L523-V529 HydrophobicContact CD2-CG2 4.47Å; L526-V529 HydrophobicContact CD1-CB 4.46Å; L526-V529 WeakPolarHBondContact O-CB 3.36Å; L526-V529 PolarHBondContact O-N 2.66Å; V529-R531 VanDerWaalsContact C-N 3.31Å; V529-R531 PolarHBondContact O-N 3.2Å; V529-L532 PolarHBondContact O-N 3.3Å; V529-V533 HydrophobicContact CG1-CG2 4.17Å; V529-V533 WeakPolarHBondContact O-CB 3.16Å; V529-V533 VanDerWaalsContact O-CG2 3.23Å; V529-V533 WeakPolarHBondContact O-CG2 3.47Å; V529-V533 PolarHBondContact O-N 2.97Å; V529-E602 HydrophobicContact CG1-CG 3.71Å
530N98.1Very high97.1Very high32 Ų3223.8 Ų23.817%0.17113%0.127CC..Hα-helixtrans-59.3-40.7-177.4-73.1-27.7000112.7Y434 L526 V533 E534Y434-N530 HydrophobicContact CE1-CB 4.38Å; Y434-N530 HydrophobicContact CE2-CB 3.81Å; L526-N530 PolarHBondContact O-N 3.42Å; L526-N530 PolarHBondContact O-ND2 2.94Å; N530-V533 PolarHBondContact O-N 3.16Å; N530-E534 WeakPolarHBondContact O-CB 3.4Å; N530-E534 PolarHBondContact O-N 2.86Å
531R98.4Very high96.9Very high3 Ų328 Ų281%0.01115%0.145CC..Hα-helixtrans-65.7-45.9178-74.7172.6162.970.7-6.1112.2T432 Y434 E438 D444 L493 S527 D528 V529 E534 G535T432-R531 HydrophobicContact CG2-CB 4.15Å; T432-R531 HydrophobicContact CG2-CG 4.3Å; Y434-R531 HydrophobicContact CD2-CG 4.09Å; Y434-R531 HydrophobicContact CG-CG 4.42Å; E438-R531 IonicContact OE1-CZ 3.48Å; E438-R531 IonicContact OE1-NH1 2.77Å; E438-R531 IonicContact OE1-NH2 3.65Å; E438-R531 PolarHBondContact OE1-NH2 3.14Å; E438-R531 IonicContact OE2-NH2 3.3Å; E438-R531 PolarHBondContact OE2-NH2 2.95Å; D444-R531 WeakPolarHBondContact OD2-CD 3.11Å; D444-R531 VanDerWaalsContact OD2-CG 3.28Å; D444-R531 WeakPolarHBondContact OD2-CG 3.41Å; D444-R531 IonicContact OD2-NE 2.63Å; D444-R531 PolarHBondContact OD2-NE 3.39Å; L493-R531 HydrophobicContact CD1-CB 3.86Å; S527-R531 WeakPolarHBondContact O-CG 3.48Å; S527-R531 PolarHBondContact O-N 3.31Å; S527-R531 PolarHBondContact OG-NH1 3.21Å; D528-R531 PolarHBondContact O-N 2.78Å; V529-R531 VanDerWaalsContact C-N 3.31Å; V529-R531 PolarHBondContact O-N 3.2Å; R531-E534 PolarHBondContact O-N 3.29Å; R531-G535 PolarHBondContact O-N 2.86Å
532L98.2Very high96.6Very high0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-62.5-43.5175.6-81.1172.4000111.9I445 L493 L523 D528 V529 E534 G535 I536 V605I445-L532 HydrophobicContact CD1-CD2 4.21Å; L493-L532 HydrophobicContact CB-CD1 4.33Å; L493-L532 HydrophobicContact CB-CD2 3.93Å; L493-L532 HydrophobicContact CB-CG 4.02Å; L493-L532 HydrophobicContact CD2-CG 4.47Å; L523-L532 HydrophobicContact CD2-CD1 3.65Å; D528-L532 PolarHBondContact O-N 2.84Å; D528-L532 VanDerWaalsContact O-N 3.16Å; V529-L532 PolarHBondContact O-N 3.3Å; L532-E534 PolarHBondContact O-N 3.49Å; L532-G535 PolarHBondContact O-N 2.9Å; L532-I536 VanDerWaalsContact O-CG1 3.3Å; L532-I536 WeakPolarHBondContact O-CG1 3.49Å; L532-I536 PolarHBondContact O-N 3.2Å; L532-V605 HydrophobicContact CB-CG1 4.12Å; L532-V605 HydrophobicContact CB-CG2 4.21Å; L532-V605 HydrophobicContact CD1-CG1 3.95Å
533V98.1Very high96.3Very high3 Ų326.4 Ų26.42%0.01814%0.135CC..Hα-helixtrans-59.2-47.4176.4171.30000110.6V529 N530 G535 I536 I537 K598 I601 E602 V605V529-V533 HydrophobicContact CG1-CG2 4.17Å; V529-V533 WeakPolarHBondContact O-CB 3.16Å; V529-V533 VanDerWaalsContact O-CG2 3.23Å; V529-V533 WeakPolarHBondContact O-CG2 3.47Å; V529-V533 PolarHBondContact O-N 2.97Å; N530-V533 PolarHBondContact O-N 3.16Å; V533-G535 PolarHBondContact O-N 3.46Å; V533-I536 PolarHBondContact O-N 2.7Å; V533-I537 HydrophobicContact CG1-CD1 3.74Å; V533-I537 HydrophobicContact CG1-CG1 4.44Å; V533-I537 VanDerWaalsContact O-CG1 3.31Å; V533-I537 WeakPolarHBondContact O-CG1 3.32Å; V533-I537 PolarHBondContact O-N 2.9Å; V533-K598 HydrophobicContact CG1-CG 3.75Å; V533-I601 HydrophobicContact CB-CG2 4.24Å; V533-I601 HydrophobicContact CG1-CB 4.31Å; V533-I601 HydrophobicContact CG1-CG2 4.04Å; V533-I601 HydrophobicContact CG2-CG2 4.12Å; V533-E602 HydrophobicContact CG2-CB 3.99Å; V533-V605 HydrophobicContact CG2-CG2 4.15Å
534E97.9Very high95.9Very high34 Ų3428.2 Ų28.216%0.15914%0.143CC..Hα-helixtrans-60.1-46.3176.1-167.9-168.3129.600111.4Y430 T432 S433 Y434 N530 R531 L532 I536 I537 W538Y430-E534 PolarHBondContact OH-OE1 3.1Å; T432-E534 WeakPolarHBondContact CA-OE1 3.49Å; T432-E534 WeakPolarHBondContact CB-OE1 3.46Å; T432-E534 HydrophobicContact CG2-CB 4.28Å; S433-E534 WeakPolarHBondContact CB-OE2 3.47Å; S433-E534 VanDerWaalsContact N-CD 3.33Å; S433-E534 PolarHBondContact N-OE1 3.4Å; S433-E534 PolarHBondContact N-OE2 2.87Å; S433-E534 VanDerWaalsContact N-OE2 3.07Å; S433-E534 PolarHBondContact OG-OE2 3.2Å; Y434-E534 WeakPolarHBondContact CD2-OE2 3.44Å; Y434-E534 WeakPolarHBondContact CE2-OE2 3.48Å; N530-E534 WeakPolarHBondContact O-CB 3.4Å; N530-E534 PolarHBondContact O-N 2.86Å; R531-E534 PolarHBondContact O-N 3.29Å; L532-E534 PolarHBondContact O-N 3.49Å; E534-I536 VanDerWaalsContact C-N 3.33Å; E534-I536 PolarHBondContact O-N 3.06Å; E534-I537 PolarHBondContact O-N 2.93Å; E534-W538 VanDerWaalsContact O-CB 3.29Å; E534-W538 WeakPolarHBondContact O-CB 3.46Å; E534-W538 PolarHBondContact O-N 2.89Å
535G97.7Very high95.6Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-59.1-40.617800000113.1Y447 R531 L532 V533 I539Y447-G535 VanDerWaalsContact OH-C 3.3Å; Y447-G535 WeakPolarHBondContact OH-CA 3.39Å; Y447-G535 PolarHBondContact OH-O 3.37Å; R531-G535 PolarHBondContact O-N 2.86Å; L532-G535 PolarHBondContact O-N 2.9Å; V533-G535 PolarHBondContact O-N 3.46Å; G535-I539 PolarHBondContact O-N 2.95Å
536I97Very high95.2Very high5 Ų523.8 Ų23.83%0.02611%0.111CC..Hα-helixtrans-69.2-45.3177.1-66.7163.2000110.8I385 I491 L532 V533 E534 W538 I539 Y540 L570 I601 V605I385-I536 HydrophobicContact CB-CD1 4.44Å; I385-I536 HydrophobicContact CG1-CD1 4.28Å; I385-I536 HydrophobicContact CG2-CD1 4.45Å; I491-I536 HydrophobicContact CD1-CB 4.46Å; I491-I536 HydrophobicContact CD1-CG1 3.7Å; I491-I536 HydrophobicContact CG2-CG1 4.26Å; L532-I536 VanDerWaalsContact O-CG1 3.3Å; L532-I536 WeakPolarHBondContact O-CG1 3.49Å; L532-I536 PolarHBondContact O-N 3.2Å; V533-I536 PolarHBondContact O-N 2.7Å; E534-I536 VanDerWaalsContact C-N 3.33Å; E534-I536 PolarHBondContact O-N 3.06Å; I536-W538 VanDerWaalsContact C-N 3.31Å; I536-W538 PolarHBondContact O-N 3.19Å; I536-I539 WeakPolarHBondContact O-CG2 3.41Å; I536-I539 PolarHBondContact O-N 3.33Å; I536-Y540 WeakPolarHBondContact O-CB 3.41Å; I536-Y540 PolarHBondContact O-N 3.23Å; I536-L570 HydrophobicContact CG2-CD2 4.48Å; I536-I601 HydrophobicContact CB-CG2 3.81Å; I536-I601 HydrophobicContact CD1-CG2 3.84Å; I536-I601 HydrophobicContact CG1-CG2 4.44Å; I536-I601 HydrophobicContact CG2-CD1 3.86Å; I536-I601 HydrophobicContact CG2-CG1 4.25Å; I536-I601 HydrophobicContact CG2-CG2 3.74Å; I536-V605 HydrophobicContact CD1-CG2 3.4Å
537I95.9Very high94.7Very high30 Ų3020.3 Ų20.315%0.1549%0.094CC..Hα-helixtrans-62.1-42.1178.1-69.1171.7000110.7V533 E534 Y540 K541 L597 K598 I601V533-I537 HydrophobicContact CG1-CD1 3.74Å; V533-I537 HydrophobicContact CG1-CG1 4.44Å; V533-I537 VanDerWaalsContact O-CG1 3.31Å; V533-I537 WeakPolarHBondContact O-CG1 3.32Å; V533-I537 PolarHBondContact O-N 2.9Å; E534-I537 PolarHBondContact O-N 2.93Å; I537-Y540 PolarHBondContact O-N 2.94Å; I537-K541 VanDerWaalsContact O-CB 3.28Å; I537-K541 WeakPolarHBondContact O-CB 3.21Å; I537-K541 PolarHBondContact O-N 3.42Å; I537-L597 HydrophobicContact CG1-CD2 4.3Å; I537-L597 HydrophobicContact CG1-CG 4.33Å; I537-L597 HydrophobicContact CG2-CD2 4.4Å; I537-K598 HydrophobicContact CD1-CB 4.1Å; I537-K598 HydrophobicContact CD1-CG 4.35Å; I537-I601 HydrophobicContact CG1-CG1 4.25Å
538W95.6Very high94.1Very high30 Ų3023.7 Ų23.711%0.11411%0.108CC..Hα-helixtrans-59.6-50.7-179.7-178.489.2000111.4F232 Q235 L237 Y430 Y447 E534 I536 T542F232-W538 HydrophobicContact CD1-CH2 4.24Å; F232-W538 HydrophobicContact CD2-CH2 4.14Å; F232-W538 HydrophobicContact CE1-CH2 4.06Å; F232-W538 HydrophobicContact CE1-CZ3 4.44Å; F232-W538 AromaticContact CE2-CH2 3.97Å; F232-W538 HydrophobicContact CE2-CH2 3.97Å; F232-W538 HydrophobicContact CE2-CZ3 4.01Å; F232-W538 HydrophobicContact CG-CH2 4.28Å; F232-W538 AromaticContact CZ-CH2 3.92Å; F232-W538 HydrophobicContact CZ-CH2 3.92Å; F232-W538 AromaticContact CZ-CZ3 3.92Å; F232-W538 HydrophobicContact CZ-CZ3 3.92Å; Q235-W538 HydrophobicContact CB-CZ2 3.84Å; Q235-W538 HydrophobicContact CG-CZ2 3.74Å; L237-W538 HydrophobicContact CD1-CH2 3.83Å; L237-W538 HydrophobicContact CD1-CZ2 3.61Å; Y430-W538 HydrophobicContact CD2-CD2 4.06Å; Y430-W538 AromaticContact CD2-CE2 3.89Å; Y430-W538 HydrophobicContact CD2-CE3 4.47Å; Y430-W538 HydrophobicContact CD2-CG 4.43Å; Y430-W538 HydrophobicContact CD2-CZ2 4.17Å; Y430-W538 HydrophobicContact CE1-CB 4.3Å; Y430-W538 HydrophobicContact CE1-CG 4.2Å; Y430-W538 AromaticContact CE2-CD1 3.62Å; Y430-W538 AromaticContact CE2-CD2 3.98Å; Y430-W538 HydrophobicContact CE2-CD2 3.98Å; Y430-W538 AromaticContact CE2-CE2 3.73Å; Y430-W538 AromaticContact CE2-CG 3.94Å; Y430-W538 HydrophobicContact CE2-CG 3.94Å; Y430-W538 HydrophobicContact CE2-CZ2 4.37Å; Y430-W538 AromaticContact CE2-NE1 3.5Å; Y430-W538 HydrophobicContact CG-CD2 4.44Å; Y430-W538 AromaticContact CZ-CD1 3.62Å; Y430-W538 AromaticContact CZ-CG 3.82Å; Y447-W538 AromaticContact CE2-CE3 3.91Å; Y447-W538 HydrophobicContact CE2-CE3 3.91Å; Y447-W538 AromaticContact CE2-CZ3 3.8Å; Y447-W538 HydrophobicContact CE2-CZ3 3.8Å; Y447-W538 AromaticContact CZ-CE3 3.82Å; E534-W538 VanDerWaalsContact O-CB 3.29Å; E534-W538 WeakPolarHBondContact O-CB 3.46Å; E534-W538 PolarHBondContact O-N 2.89Å; I536-W538 VanDerWaalsContact C-N 3.31Å; I536-W538 PolarHBondContact O-N 3.19Å; W538-T542 WeakPolarHBondContact O-CB 3.27Å; W538-T542 PolarHBondContact O-N 3.39Å; W538-T542 PolarHBondContact O-OG1 3.47Å
539I94.9Very high93.4Very high0 Ų026.3 Ų26.30%012%0.119CC..Hα-helixtrans-70.4-38.3-178.8-164.661.3000111.5F228 Y447 L489 I491 G535 I536 T542 M543F228-I539 HydrophobicContact CD1-CD1 4.33Å; F228-I539 HydrophobicContact CE1-CD1 4.13Å; Y447-I539 HydrophobicContact CD1-CB 4.3Å; Y447-I539 HydrophobicContact CD1-CG1 4.28Å; Y447-I539 HydrophobicContact CD1-CG2 4.42Å; Y447-I539 HydrophobicContact CE1-CB 3.62Å; Y447-I539 HydrophobicContact CE1-CG1 4.1Å; Y447-I539 HydrophobicContact CE1-CG2 3.71Å; L489-I539 HydrophobicContact CD2-CG1 3.81Å; L489-I539 HydrophobicContact CD2-CG2 4.03Å; I491-I539 HydrophobicContact CD1-CG2 3.97Å; G535-I539 PolarHBondContact O-N 2.95Å; I536-I539 WeakPolarHBondContact O-CG2 3.41Å; I536-I539 PolarHBondContact O-N 3.33Å; I539-T542 PolarHBondContact O-N 2.92Å; I539-M543 HydrophobicContact CG1-CG 4.36Å; I539-M543 HydrophobicContact CG1-SD 4.16Å; I539-M543 VanDerWaalsContact O-CG 3.26Å; I539-M543 WeakPolarHBondContact O-CG 3.49Å; I539-M543 PolarHBondContact O-N 3.07Å
540Y93.3Very high92.3Very high19 Ų1926.7 Ų26.78%0.07512%0.121CC..Hα-helixtrans-58.8-50.3176.3-179.2-99.7000111.5I536 I537 T542 M543 H544 P568 L570 F588 L597I536-Y540 WeakPolarHBondContact O-CB 3.41Å; I536-Y540 PolarHBondContact O-N 3.23Å; I537-Y540 PolarHBondContact O-N 2.94Å; Y540-T542 VanDerWaalsContact C-N 3.33Å; Y540-T542 PolarHBondContact O-N 3.47Å; Y540-M543 PolarHBondContact O-N 3.46Å; Y540-H544 PolarHBondContact O-N 3.38Å; Y540-H544 VanDerWaalsContact O-N 3.09Å; Y540-P568 HydrophobicContact CD2-CB 4.12Å; Y540-P568 HydrophobicContact CD2-CG 3.44Å; Y540-P568 VanDerWaalsContact CD2-CG 3.44Å; Y540-P568 HydrophobicContact CE2-CB 4.47Å; Y540-P568 HydrophobicContact CE2-CG 3.65Å; Y540-L570 HydrophobicContact CD2-CD1 3.64Å; Y540-L570 HydrophobicContact CD2-CG 4.2Å; Y540-L570 HydrophobicContact CE1-CD1 4.49Å; Y540-L570 HydrophobicContact CE2-CD1 3.42Å; Y540-L570 VanDerWaalsContact CE2-CD1 3.42Å; Y540-L570 HydrophobicContact CE2-CG 4.09Å; Y540-L570 HydrophobicContact CG-CD1 4.28Å; Y540-F588 AromaticContact CD1-CE1 3.84Å; Y540-F588 HydrophobicContact CD1-CE1 3.84Å; Y540-F588 AromaticContact CD1-CZ 3.8Å; Y540-F588 HydrophobicContact CD1-CZ 3.8Å; Y540-F588 AromaticContact CE1-CE1 4Å; Y540-F588 HydrophobicContact CE1-CE1 4Å; Y540-F588 AromaticContact CE1-CZ 3.71Å; Y540-F588 HydrophobicContact CE1-CZ 3.71Å; Y540-L597 HydrophobicContact CD1-CD2 4.15Å; Y540-L597 HydrophobicContact CE1-CD2 4.36Å
541K92.6Very high91.1Very high94 Ų9431.4 Ų31.441%0.40915%0.146SC..Hα-helixtrans-59-44.5175.4178.4178.8177.6178.30111.7I537 H544 Y545 F588I537-K541 VanDerWaalsContact O-CB 3.28Å; I537-K541 WeakPolarHBondContact O-CB 3.21Å; I537-K541 PolarHBondContact O-N 3.42Å; K541-H544 PolarHBondContact O-N 3.04Å; K541-Y545 PolarHBondContact O-N 3.38Å; K541-F588 HydrophobicContact CB-CD1 3.96Å; K541-F588 HydrophobicContact CB-CE1 3.84Å; K541-F588 HydrophobicContact CB-CG 4.39Å; K541-F588 HydrophobicContact CB-CZ 4.17Å; K541-F588 HydrophobicContact CD-CB 4.07Å; K541-F588 HydrophobicContact CD-CD1 4.14Å; K541-F588 HydrophobicContact CD-CG 4.09Å; K541-F588 HydrophobicContact CG-CB 4.3Å; K541-F588 HydrophobicContact CG-CD1 3.89Å; K541-F588 HydrophobicContact CG-CD2 4.1Å; K541-F588 HydrophobicContact CG-CE1 4.19Å; K541-F588 HydrophobicContact CG-CE2 4.39Å; K541-F588 HydrophobicContact CG-CG 3.83Å; K541-F588 HydrophobicContact CG-CZ 4.43Å
542T92Very high89.9Confident2 Ų239.5 Ų39.51%0.01218%0.181CC..Hα-helixtrans-65.8-41.1-177.3-56.40000111.6A231 Q235 W538 I539 Y540 Y545 I546A231-T542 HydrophobicContact CB-CG2 3.7Å; A231-T542 WeakPolarHBondContact O-CG2 3.28Å; Q235-T542 HydrophobicContact CG-CG2 3.97Å; W538-T542 WeakPolarHBondContact O-CB 3.27Å; W538-T542 PolarHBondContact O-N 3.39Å; W538-T542 PolarHBondContact O-OG1 3.47Å; I539-T542 PolarHBondContact O-N 2.92Å; Y540-T542 VanDerWaalsContact C-N 3.33Å; Y540-T542 PolarHBondContact O-N 3.47Å; T542-Y545 WeakPolarHBondContact O-CB 3.19Å; T542-Y545 PolarHBondContact O-N 3.23Å; T542-I546 HydrophobicContact CG2-CD1 4.42Å; T542-I546 WeakPolarHBondContact O-CG1 3.35Å; T542-I546 PolarHBondContact O-N 2.86Å; T542-I546 VanDerWaalsContact O-N 3.09Å
543M91.2Very high88.4Confident0 Ų041.1 Ų41.10%019%0.19CC..Hα-helixtrans-64-43175-68.617574.800111.9Y227 F228 C389 I539 Y540 Y545 I546 N547 I566 P568Y227-M543 HydrophobicContact CE1-CG 4.27Å; Y227-M543 PolarHBondContact OH-O 3.03Å; F228-M543 HydrophobicContact CE1-SD 4.43Å; F228-M543 HydrophobicContact CZ-CE 4.5Å; C389-M543 HydrophobicContact CB-CE 4.3Å; I539-M543 HydrophobicContact CG1-CG 4.36Å; I539-M543 HydrophobicContact CG1-SD 4.16Å; I539-M543 VanDerWaalsContact O-CG 3.26Å; I539-M543 WeakPolarHBondContact O-CG 3.49Å; I539-M543 PolarHBondContact O-N 3.07Å; Y540-M543 PolarHBondContact O-N 3.46Å; M543-Y545 VanDerWaalsContact C-N 3.28Å; M543-Y545 PolarHBondContact O-N 3.08Å; M543-I546 PolarHBondContact O-N 2.81Å; M543-N547 WeakPolarHBondContact O-CB 3.45Å; M543-N547 PolarHBondContact O-N 3.11Å; M543-N547 PolarHBondContact O-ND2 2.76Å; M543-I566 HydrophobicContact CE-CB 3.77Å; M543-I566 HydrophobicContact CE-CG2 3.25Å; M543-P568 HydrophobicContact CE-CB 4.38Å; M543-P568 HydrophobicContact CE-CG 4.38Å; M543-P568 HydrophobicContact SD-CB 4.35Å; M543-P568 HydrophobicContact SD-CG 4.31Å
544H89.6Confident86.4Confident42 Ų4245.4 Ų45.419%0.19421%0.213CC..Hα-helixtrans-58.6-41.9173.9-112.870.9000111.9Y540 K541 N547 E548 A582 F588Y540-H544 PolarHBondContact O-N 3.38Å; Y540-H544 VanDerWaalsContact O-N 3.09Å; K541-H544 PolarHBondContact O-N 3.04Å; H544-N547 PolarHBondContact O-N 2.88Å; H544-E548 PolarHBondContact O-N 3.17Å; H544-A582 PolarHBondContact NE2-O 3.19Å; H544-F588 HydrophobicContact CB-CE2 3.91Å; H544-F588 HydrophobicContact CB-CZ 4.2Å
545Y89.2Confident84.5Confident82 Ų8244.8 Ų44.832%0.32221%0.21SC..Hα-helixtrans-59-50176.9-174.1-83.7000112.6L234 K541 T542 M543 N547 E548 K549 L585L234-Y545 HydrophobicContact CD1-CD1 4Å; L234-Y545 HydrophobicContact CD1-CE1 3.88Å; L234-Y545 HydrophobicContact CD2-CE1 4.44Å; K541-Y545 PolarHBondContact O-N 3.38Å; T542-Y545 WeakPolarHBondContact O-CB 3.19Å; T542-Y545 PolarHBondContact O-N 3.23Å; M543-Y545 VanDerWaalsContact C-N 3.28Å; M543-Y545 PolarHBondContact O-N 3.08Å; Y545-N547 VanDerWaalsContact C-N 3.34Å; Y545-N547 PolarHBondContact O-N 3.37Å; Y545-E548 PolarHBondContact O-N 2.59Å; Y545-K549 HydrophobicContact CD1-CG 4.4Å; Y545-K549 HydrophobicContact CE1-CB 4.49Å; Y545-K549 HydrophobicContact CE1-CG 4.04Å; Y545-K549 WeakPolarHBondContact O-CG 3.3Å; Y545-K549 PolarHBondContact O-N 3.07Å; Y545-K549 VanDerWaalsContact O-N 3.09Å; Y545-L585 HydrophobicContact CD2-CD1 3.45Å; Y545-L585 VanDerWaalsContact CD2-CD1 3.45Å; Y545-L585 HydrophobicContact CD2-CD2 3.65Å; Y545-L585 HydrophobicContact CD2-CG 4.2Å; Y545-L585 HydrophobicContact CE2-CD1 3.95Å; Y545-L585 HydrophobicContact CG-CD1 4.12Å; Y545-L585 HydrophobicContact CG-CD2 4.17Å
546I88.6Confident82.2Confident1 Ų153.9 Ų53.91%0.00524%0.244CC..Hα-helixtrans-62.5-46.1-179.8-63.3163.2000110.2Y227 A231 L234 T542 M543 E548 K549 I550 L553Y227-I546 HydrophobicContact CD1-CD1 4.33Å; Y227-I546 HydrophobicContact CD2-CG2 3.9Å; Y227-I546 HydrophobicContact CE1-CD1 3.86Å; Y227-I546 HydrophobicContact CE2-CB 4.14Å; Y227-I546 HydrophobicContact CE2-CG2 3.42Å; Y227-I546 VanDerWaalsContact CE2-CG2 3.42Å; A231-I546 HydrophobicContact CB-CD1 3.19Å; A231-I546 HydrophobicContact CB-CG1 4.45Å; L234-I546 HydrophobicContact CD1-CG1 4.14Å; T542-I546 HydrophobicContact CG2-CD1 4.42Å; T542-I546 WeakPolarHBondContact O-CG1 3.35Å; T542-I546 PolarHBondContact O-N 2.86Å; T542-I546 VanDerWaalsContact O-N 3.09Å; M543-I546 PolarHBondContact O-N 2.81Å; I546-E548 VanDerWaalsContact C-N 3.31Å; I546-E548 PolarHBondContact O-N 3.46Å; I546-K549 CarbonylContact O-C 3.5Å; I546-K549 PolarHBondContact O-N 3.33Å; I546-K549 VanDerWaalsContact O-N 3.17Å; I546-I550 WeakPolarHBondContact O-CA 3.28Å; I546-I550 WeakPolarHBondContact O-CB 3.37Å; I546-I550 PolarHBondContact O-N 3.16Å; I546-L553 HydrophobicContact CG2-CD1 4.42Å
547N87.4Confident80Confident31 Ų3163 Ų6317%0.16629%0.287CS..Hα-helixtrans-60.6-40-179-68.3-19.7000112Y227 M543 H544 Y545 V565 I566Y227-N547 WeakPolarHBondContact CE2-OD1 3.35Å; Y227-N547 PolarHBondContact OH-OD1 2.73Å; M543-N547 WeakPolarHBondContact O-CB 3.45Å; M543-N547 PolarHBondContact O-N 3.11Å; M543-N547 PolarHBondContact O-ND2 2.76Å; H544-N547 PolarHBondContact O-N 2.88Å; Y545-N547 VanDerWaalsContact C-N 3.34Å; Y545-N547 PolarHBondContact O-N 3.37Å; N547-V565 HydrophobicContact CB-CG1 4.21Å; N547-I566 PolarHBondContact ND2-O 2.93Å; N547-I566 PolarHBondContact OD1-N 3.48Å
548E84.9Confident77.9Confident88 Ų8862.5 Ų62.541%0.41128%0.284SS..Hα-helixtrans-72.5-28.7178.3-160.3-164.110900112.7H544 Y545 I546 L585H544-E548 PolarHBondContact O-N 3.17Å; Y545-E548 PolarHBondContact O-N 2.59Å; I546-E548 VanDerWaalsContact C-N 3.31Å; I546-E548 PolarHBondContact O-N 3.46Å; E548-L585 HydrophobicContact CB-CD1 4.18Å; E548-L585 HydrophobicContact CB-CG 4.5Å; E548-L585 VanDerWaalsContact OE2-CB 3.31Å; E548-L585 WeakPolarHBondContact OE2-CB 3.14Å; E548-L585 WeakPolarHBondContact OE2-CG 3.24Å; E548-L585 PolarHBondContact OE2-N 3.27Å
549K82.4Confident75.4Confident54 Ų5465.3 Ų65.324%0.23530%0.302CS..Hα-helixtrans-103.44.4-176.6-58.4-54.5-172.6-141.90114Y545 I546 D551 K552 L553Y545-K549 HydrophobicContact CD1-CG 4.4Å; Y545-K549 HydrophobicContact CE1-CB 4.49Å; Y545-K549 HydrophobicContact CE1-CG 4.04Å; Y545-K549 WeakPolarHBondContact O-CG 3.3Å; Y545-K549 PolarHBondContact O-N 3.07Å; Y545-K549 VanDerWaalsContact O-N 3.09Å; I546-K549 CarbonylContact O-C 3.5Å; I546-K549 PolarHBondContact O-N 3.33Å; I546-K549 VanDerWaalsContact O-N 3.17Å; K549-D551 VanDerWaalsContact C-N 3.29Å; K549-D551 PolarHBondContact O-N 3.27Å; K549-D551 VanDerWaalsContact O-N 3.16Å; K549-K552 CarbonylContact O-C 3.52Å; K549-K552 WeakPolarHBondContact O-CA 3.35Å; K549-K552 PolarHBondContact O-N 3.34Å; K549-L553 HydrophobicContact CB-CD1 3.81Å; K549-L553 HydrophobicContact CB-CG 3.84Å; K549-L553 WeakPolarHBondContact O-CG 3.36Å; K549-L553 PolarHBondContact O-N 2.6Å
550I76.3Confident73.3Confident10 Ų1075 Ų755%0.05134%0.344CS..THydrogen-bonded Turntrans-54.7-42-168.6-159.9168.1000113.3I546 K552 L553 L555 Q563 I564 V565I546-I550 WeakPolarHBondContact O-CA 3.28Å; I546-I550 WeakPolarHBondContact O-CB 3.37Å; I546-I550 PolarHBondContact O-N 3.16Å; I550-K552 VanDerWaalsContact C-N 3.31Å; I550-K552 PolarHBondContact O-N 2.95Å; I550-L553 PolarHBondContact O-N 3.12Å; I550-L555 HydrophobicContact CD1-CD1 4.16Å; I550-L555 HydrophobicContact CG1-CD1 3.58Å; I550-Q563 HydrophobicContact CD1-CB 3.98Å; I550-Q563 HydrophobicContact CG1-CB 4.37Å; I550-I564 WeakPolarHBondContact CD1-O 3.33Å; I550-V565 HydrophobicContact CD1-CG2 4.12Å
551D73.1Confident71.4Confident131 Ų13182.6 Ų82.670%0.70138%0.38SS*.THydrogen-bonded Turntrans-64.8-35.1178-64.2-33.6000112.5K549 Q563K549-D551 VanDerWaalsContact C-N 3.29Å; K549-D551 PolarHBondContact O-N 3.27Å; K549-D551 VanDerWaalsContact O-N 3.16Å; D551-Q563 PolarHBondContact OD1-OE1 2.61Å
552K71.3Confident69.8Low173 Ų17386 Ų8675%0.75239%0.391SS*.THydrogen-bonded Turntrans-86.8-27.6-176.7-65.9-174.7-179.3-178.10113.1K549 I550 N554K549-K552 CarbonylContact O-C 3.52Å; K549-K552 WeakPolarHBondContact O-CA 3.35Å; K549-K552 PolarHBondContact O-N 3.34Å; I550-K552 VanDerWaalsContact C-N 3.31Å; I550-K552 PolarHBondContact O-N 2.95Å; K552-N554 PolarHBondContact O-N 3.47Å
553L67.2Low68.8Low34 Ų3489.3 Ų89.318%0.17841%0.406CS..THydrogen-bonded Turntrans-68.2-2.5-177.6-75.5170.3000113L234 I546 K549 I550 L555L234-L553 HydrophobicContact CD1-CD1 3.82Å; L234-L553 HydrophobicContact CD1-CD2 3.96Å; L234-L553 HydrophobicContact CD2-CD2 3.82Å; L234-L553 HydrophobicContact CG-CD2 4.49Å; I546-L553 HydrophobicContact CG2-CD1 4.42Å; K549-L553 HydrophobicContact CB-CD1 3.81Å; K549-L553 HydrophobicContact CB-CG 3.84Å; K549-L553 WeakPolarHBondContact O-CG 3.36Å; K549-L553 PolarHBondContact O-N 2.6Å; I550-L553 PolarHBondContact O-N 3.12Å; L553-L555 HydrophobicContact CB-CD2 4.06Å; L553-L555 HydrophobicContact CB-CG 4.3Å; L553-L555 PolarHBondContact O-N 3.46Å
554N57.4Low68.3Low94 Ų9489.6 Ų89.650%0.50341%0.407SS..THydrogen-bonded Turntrans43.758.3174.2-144.916000108.7K552 R556K552-N554 PolarHBondContact O-N 3.47Å; N554-R556 PolarHBondContact ND2-NE 3.16Å; N554-R556 PolarHBondContact O-N 3.15Å; N554-R556 VanDerWaalsContact OD1-CD 3.3Å; N554-R556 WeakPolarHBondContact OD1-CD 3.47Å; N554-R556 VanDerWaalsContact OD1-CG 3.28Å; N554-R556 WeakPolarHBondContact OD1-CG 3.38Å; N554-R556 PolarHBondContact OD1-NE 3.34Å
555L57.9Low68.1Low20 Ų2089.1 Ų89.111%0.10541%0.407CS..  trans-66.144.1178.1-61.5-178.6000111K230 I550 L553 E557 I558K230-L555 HydrophobicContact CD-CD2 4.38Å; K230-L555 HydrophobicContact CG-CD2 4.01Å; I550-L555 HydrophobicContact CD1-CD1 4.16Å; I550-L555 HydrophobicContact CG1-CD1 3.58Å; L553-L555 HydrophobicContact CB-CD2 4.06Å; L553-L555 HydrophobicContact CB-CG 4.3Å; L553-L555 PolarHBondContact O-N 3.46Å; L555-E557 PolarHBondContact O-N 2.73Å; L555-E557 VanDerWaalsContact O-N 3.08Å; L555-I558 HydrophobicContact CB-CB 4.05Å; L555-I558 HydrophobicContact CB-CD1 4.15Å; L555-I558 HydrophobicContact CB-CG1 4.06Å; L555-I558 HydrophobicContact CD1-CD1 4.14Å; L555-I558 HydrophobicContact CD2-CD1 3.65Å; L555-I558 HydrophobicContact CD2-CG1 4.37Å; L555-I558 HydrophobicContact CG-CD1 4.19Å; L555-I558 PolarHBondContact O-N 3.22Å
556R47.9Very low68Low191 Ų19185.2 Ų85.272%0.72139%0.392SS*.THydrogen-bonded Turntrans-62.8-12.4-176.8-78.8-177.2176.7-170.6-2.7112.4N554N554-R556 PolarHBondContact ND2-NE 3.16Å; N554-R556 PolarHBondContact O-N 3.15Å; N554-R556 VanDerWaalsContact OD1-CD 3.3Å; N554-R556 WeakPolarHBondContact OD1-CD 3.47Å; N554-R556 VanDerWaalsContact OD1-CG 3.28Å; N554-R556 WeakPolarHBondContact OD1-CG 3.38Å; N554-R556 PolarHBondContact OD1-NE 3.34Å
557E51.5Low68Low196 Ų19689.5 Ų89.592%0.91641%0.41SS*.THydrogen-bonded Turntrans-92.6-16.9169.2-70.4-172.3155.300113.9L555 N559L555-E557 PolarHBondContact O-N 2.73Å; L555-E557 VanDerWaalsContact O-N 3.08Å; E557-N559 VanDerWaalsContact C-N 3.33Å; E557-N559 PolarHBondContact O-N 3Å
558I51.8Low68Low20 Ų2089 Ų8910%0.10341%0.409CS..SBendtrans-95.947.9-173.6-46.8-170.9000111.2L223 A226 L555L223-I558 HydrophobicContact CD2-CG2 3.52Å; L223-I558 VanDerWaalsContact CD2-O 3.31Å; L223-I558 WeakPolarHBondContact CD2-O 3.34Å; A226-I558 HydrophobicContact CB-CB 4.33Å; A226-I558 HydrophobicContact CB-CD1 3.49Å; A226-I558 VanDerWaalsContact CB-CD1 3.49Å; A226-I558 HydrophobicContact CB-CG1 3.68Å; A226-I558 HydrophobicContact CB-CG2 3.84Å; L555-I558 HydrophobicContact CB-CB 4.05Å; L555-I558 HydrophobicContact CB-CD1 4.15Å; L555-I558 HydrophobicContact CB-CG1 4.06Å; L555-I558 HydrophobicContact CD1-CD1 4.14Å; L555-I558 HydrophobicContact CD2-CD1 3.65Å; L555-I558 HydrophobicContact CD2-CG1 4.37Å; L555-I558 HydrophobicContact CG-CD1 4.19Å; L555-I558 PolarHBondContact O-N 3.22Å
559N43.1Very low68.1Low90 Ų9086.3 Ų86.348%0.48140%0.396SS..  trans68.7122-171.7-81.7-28.8000115.4L223 E557 E561L223-N559 HydrophobicContact CD2-CB 4.01Å; E557-N559 VanDerWaalsContact C-N 3.33Å; E557-N559 PolarHBondContact O-N 3Å; N559-E561 PolarHBondContact O-N 3.47Å
560K50.9Low68.4Low203 Ų20384.9 Ų84.988%0.88339%0.391SS*.THydrogen-bonded Turntrans-56.4-1.9168.4-79.7178.9173.71760114.9
561E53.6Low68.8Low179 Ų17984.7 Ų84.784%0.83639%0.39SS*.THydrogen-bonded Turntrans-123.8-23.9-167.2-65.2-174.9173.900115.3N559N559-E561 PolarHBondContact O-N 3.47Å
562R58.5Low69.5Low166 Ų16682.3 Ų82.363%0.62638%0.375SS*.  trans-154114-179.1-67-170.9-178.8177.1-0.3114
563Q70.4Confident70.3Confident71 Ų7174.1 Ų74.133%0.33234%0.339SS..  trans-82.8126.3166.5-67.2-176.9-6.100109.9I550 D551I550-Q563 HydrophobicContact CD1-CB 3.98Å; I550-Q563 HydrophobicContact CG1-CB 4.37Å; D551-Q563 PolarHBondContact OD1-OE1 2.61Å
564I81Confident71.2Confident5 Ų576.6 Ų76.63%0.02636%0.359CS..  trans-93.7143.1175.665.3168.5000110.8L223 I224 Y227 V391 I392 I550 I566L223-I564 HydrophobicContact CB-CD1 4.06Å; L223-I564 HydrophobicContact CB-CG2 4.44Å; L223-I564 HydrophobicContact CD1-CG2 4.27Å; I224-I564 HydrophobicContact CG1-CD1 4.03Å; Y227-I564 HydrophobicContact CD2-CG1 4.32Å; V391-I564 HydrophobicContact CG1-CB 4.15Å; V391-I564 HydrophobicContact CG1-CD1 4.29Å; V391-I564 HydrophobicContact CG1-CG2 4.43Å; I392-I564 WeakPolarHBondContact O-CA 3.43Å; I550-I564 WeakPolarHBondContact CD1-O 3.33Å; I564-I566 HydrophobicContact CD1-CD1 4.16Å; I564-I566 HydrophobicContact CD1-CG1 4.27Å
565V85.3Confident72.5Confident32 Ų3278 Ų7819%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-114.8127.5172.3176.70000107.6I392 N547 I550 K567I392-V565 HydrophobicContact CB-CB 4.24Å; I392-V565 PolarHBondContact N-O 3.28Å; I392-V565 PolarHBondContact O-N 2.82Å; I392-V565 VanDerWaalsContact O-N 3.12Å; N547-V565 HydrophobicContact CB-CG1 4.21Å; I550-V565 HydrophobicContact CD1-CG2 4.12Å; V565-K567 HydrophobicContact CG1-CG 4.16Å
566I88.6Confident74.2Confident0 Ų077.3 Ų77.30%036%0.36CS..EExtended strand (participates in β ladder)trans-109.6115.5178.8-50.3-171.6000109I224 Y227 F228 C389 S390 V391 I487 M543 N547 I564I224-I566 HydrophobicContact CG2-CD1 4.46Å; Y227-I566 HydrophobicContact CD1-CB 4.47Å; Y227-I566 HydrophobicContact CD1-CD1 3.52Å; Y227-I566 HydrophobicContact CD1-CG1 4.05Å; Y227-I566 HydrophobicContact CD2-CD1 4.21Å; Y227-I566 HydrophobicContact CD2-CG1 4.04Å; Y227-I566 HydrophobicContact CE1-CB 3.99Å; Y227-I566 HydrophobicContact CE1-CD1 3.91Å; Y227-I566 HydrophobicContact CE1-CG1 4.05Å; Y227-I566 HydrophobicContact CE2-CB 4.23Å; Y227-I566 HydrophobicContact CE2-CG1 4.02Å; Y227-I566 HydrophobicContact CG-CD1 3.7Å; Y227-I566 HydrophobicContact CG-CG1 4.05Å; F228-I566 HydrophobicContact CE2-CD1 3.92Å; F228-I566 HydrophobicContact CZ-CD1 4.43Å; C389-I566 HydrophobicContact CB-CG2 3.6Å; S390-I566 CarbonylContact O-C 3.55Å; S390-I566 WeakPolarHBondContact O-CA 3.31Å; V391-I566 HydrophobicContact CG1-CG1 4.5Å; V391-I566 HydrophobicContact CG2-CD1 4.5Å; V391-I566 HydrophobicContact CG2-CG1 4.26Å; V391-I566 HydrophobicContact CG2-CG2 4.4Å; I487-I566 HydrophobicContact CD1-CD1 4.04Å; I487-I566 HydrophobicContact CD1-CG2 3.89Å; I487-I566 HydrophobicContact CG1-CG2 4.44Å; M543-I566 HydrophobicContact CE-CB 3.77Å; M543-I566 HydrophobicContact CE-CG2 3.25Å; N547-I566 PolarHBondContact ND2-O 2.93Å; N547-I566 PolarHBondContact OD1-N 3.48Å; I564-I566 HydrophobicContact CD1-CD1 4.16Å; I564-I566 HydrophobicContact CD1-CG1 4.27Å
567K86.7Confident76.3Confident92 Ų9271.4 Ų71.440%0.435%0.346SS..EExtended strand (participates in β ladder)trans-107.5118.3-179.9-67-177.4-176.9168.60110.5C389 S390 I392 D482 V565C389-K567 CarbonylContact C-O 3.58Å; C389-K567 VanDerWaalsContact CA-O 3.25Å; C389-K567 WeakPolarHBondContact CA-O 3.44Å; S390-K567 PolarHBondContact N-O 2.91Å; S390-K567 PolarHBondContact O-N 3.38Å; I392-K567 HydrophobicContact CD1-CD 3.83Å; I392-K567 VanDerWaalsContact CD1-CE 3.4Å; I392-K567 HydrophobicContact CD1-CG 4.38Å; D482-K567 IonicContact OD2-NZ 2.89Å; V565-K567 HydrophobicContact CG1-CG 4.16Å
568P88.6Confident78.2Confident20 Ų2068.7 Ų68.713%0.1333%0.333CS..EExtended strand (participates in β ladder)trans-73.1135.9175.128.4-31.7000111.5L387 Y540 M543L387-P568 HydrophobicContact CD2-CB 3.68Å; L387-P568 HydrophobicContact CG-CB 4.3Å; Y540-P568 HydrophobicContact CD2-CB 4.12Å; Y540-P568 HydrophobicContact CD2-CG 3.44Å; Y540-P568 VanDerWaalsContact CD2-CG 3.44Å; Y540-P568 HydrophobicContact CE2-CB 4.47Å; Y540-P568 HydrophobicContact CE2-CG 3.65Å; M543-P568 HydrophobicContact CE-CB 4.38Å; M543-P568 HydrophobicContact CE-CG 4.38Å; M543-P568 HydrophobicContact SD-CB 4.35Å; M543-P568 HydrophobicContact SD-CG 4.31Å
569H86.3Confident80Confident32 Ų3268.6 Ų68.615%0.14833%0.334CS..EExtended strand (participates in β ladder)trans-95111.4170.4172.658.3000109.6L387 I388 Y474 P571L387-H569 WeakPolarHBondContact CD1-O 3.47Å; I388-H569 WeakPolarHBondContact O-CB 3.32Å; I388-H569 PolarHBondContact O-N 3.32Å; Y474-H569 PolarHBondContact O-CD2 3.26Å; Y474-H569 PolarHBondContact O-NE2 2.9Å; Y474-H569 VanDerWaalsContact O-NE2 3.11Å; H569-P571 WeakPolarHBondContact O-CD 3.43Å
570L88.4Confident82.3Confident24 Ų2465.5 Ų65.513%0.12632%0.318CS..  trans-92.9112.1171.7-70.7172.9000108.5L387 I536 Y540 V579 L597 I601 L604L387-L570 HydrophobicContact CD1-CD2 3.67Å; L387-L570 HydrophobicContact CD1-CG 4.45Å; I536-L570 HydrophobicContact CG2-CD2 4.48Å; Y540-L570 HydrophobicContact CD2-CD1 3.64Å; Y540-L570 HydrophobicContact CD2-CG 4.2Å; Y540-L570 HydrophobicContact CE1-CD1 4.49Å; Y540-L570 HydrophobicContact CE2-CD1 3.42Å; Y540-L570 VanDerWaalsContact CE2-CD1 3.42Å; Y540-L570 HydrophobicContact CE2-CG 4.09Å; Y540-L570 HydrophobicContact CG-CD1 4.28Å; L570-V579 HydrophobicContact CB-CG1 4.03Å; L570-V579 HydrophobicContact CB-CG2 4.2Å; L570-V579 HydrophobicContact CD1-CG1 3.53Å; L570-V579 HydrophobicContact CG-CG1 4.42Å; L570-L597 HydrophobicContact CD1-CD1 4.4Å; L570-I601 HydrophobicContact CD1-CD1 3.89Å; L570-I601 HydrophobicContact CD2-CD1 3.63Å; L570-I601 HydrophobicContact CG-CD1 4.39Å; L570-L604 HydrophobicContact CB-CD1 4.44Å; L570-L604 HydrophobicContact CD2-CD1 4.22Å
571P85.9Confident84.1Confident5 Ų564 Ų643%0.03231%0.312CS..  trans-66.8155.7-178.428.8-34.9000111Y474 H569 F573 L604 I608Y474-P571 HydrophobicContact CD2-CB 4.48Å; Y474-P571 HydrophobicContact CD2-CG 4.08Å; H569-P571 WeakPolarHBondContact O-CD 3.43Å; P571-F573 HydrophobicContact CB-CE2 4.47Å; P571-F573 HydrophobicContact CB-CZ 4.04Å; P571-F573 HydrophobicContact CG-CE2 4.25Å; P571-F573 HydrophobicContact CG-CZ 4.07Å; P571-L604 HydrophobicContact CG-CD1 4.4Å; P571-L604 HydrophobicContact CG-CD2 4.25Å; P571-L604 WeakPolarHBondContact O-CD2 3.39Å; P571-I608 HydrophobicContact CG-CD1 4.21Å
572H86.7Confident85.7Confident82 Ų8256 Ų5638%0.3828%0.276SS..  trans-123119.2174.8175.764.2000109.5C576H572-C576 PolarHBondContact CE1-O 3.05Å
573F87.5Confident87Confident0 Ų054.1 Ų54.10%028%0.284CS..  trans-99.5140.6172-52.3-62.9000108.5K152 T470 Q473 P571 E575 C576 L604 I608K152-F573 HydrophobicContact CG-CG 4.34Å; T470-F573 HydrophobicContact CG2-CD1 4.29Å; T470-F573 HydrophobicContact CG2-CE1 3.7Å; T470-F573 HydrophobicContact CG2-CZ 4.4Å; Q473-F573 HydrophobicContact CB-CD1 4.2Å; Q473-F573 HydrophobicContact CB-CE1 4.14Å; P571-F573 HydrophobicContact CB-CE2 4.47Å; P571-F573 HydrophobicContact CB-CZ 4.04Å; P571-F573 HydrophobicContact CG-CE2 4.25Å; P571-F573 HydrophobicContact CG-CZ 4.07Å; F573-E575 PolarHBondContact O-N 3.48Å; F573-C576 HydrophobicContact CB-CB 4.42Å; F573-C576 WeakPolarHBondContact O-CB 3.44Å; F573-C576 PolarHBondContact O-N 3.3Å; F573-L604 HydrophobicContact CD2-CD2 3.54Å; F573-L604 HydrophobicContact CE2-CD2 3.53Å; F573-I608 HydrophobicContact CE1-CG2 4.32Å; F573-I608 HydrophobicContact CE2-CD1 4.42Å; F573-I608 HydrophobicContact CE2-CG1 4.3Å; F573-I608 HydrophobicContact CE2-CG2 3.72Å; F573-I608 HydrophobicContact CZ-CD1 4.38Å; F573-I608 HydrophobicContact CZ-CG2 3.42Å; F573-I608 VanDerWaalsContact CZ-CG2 3.42Å
574S86.2Confident87.8Confident86 Ų8653 Ų5360%0.60128%0.283SS*.THydrogen-bonded Turntrans-54-28.9-172.430.50000115.3
575E86.4Confident88Confident123 Ų12354 Ų5458%0.57529%0.289SS*.THydrogen-bonded Turntrans-94.9-9.7-177.5-5686.4153.800112.6K152 F573K152-E575 VanDerWaalsContact CE-OE2 3.28Å; K152-E575 WeakPolarHBondContact CE-OE2 3.44Å; K152-E575 IonicContact NZ-OE1 2.82Å; K152-E575 PolarHBondContact NZ-OE1 3.46Å; K152-E575 IonicContact NZ-OE2 2.7Å; K152-E575 PolarHBondContact NZ-OE2 3.42Å; F573-E575 PolarHBondContact O-N 3.48Å
576C91.9Very high88.2Confident7 Ų757.3 Ų57.35%0.04730%0.302CS..SBendtrans-88.8145.1172.6-67.50000110.1H572 F573 C603H572-C576 PolarHBondContact CE1-O 3.05Å; F573-C576 HydrophobicContact CB-CB 4.42Å; F573-C576 WeakPolarHBondContact O-CB 3.44Å; F573-C576 PolarHBondContact O-N 3.3Å; C576-C603 WeakPolarHBondContact CA-SG 3.21Å; C576-C603 HydrophobicContact CB-CB 3.64Å; C576-C603 WeakPolarHBondContact CB-SG 3.49Å; C576-C603 WeakPolarHBondContact SG-CB 3.26Å; C576-C603 CovalentContact SG-SG 2.03Å; C576-C603 PolarHBondContact SG-SG 2.89Å
577P93.7Very high88.4Confident66 Ų6657.9 Ų57.943%0.42931%0.306SS..PPolyproline II helixtrans-54.2146.4167.6-28.839.8000111.4V579 I599P577-V579 PolarHBondContact O-N 3.21Å; P577-I599 HydrophobicContact CG-CG2 3.86Å
578E89.9Confident88.7Confident139 Ų13954.2 Ų54.265%0.6529%0.29SS*.PPolyproline II helixtrans-62.3133.8176.5-168.1177.7179.500110.1P580E578-P580 WeakPolarHBondContact O-CD 3.2Å
579V90.6Very high88.9Confident18 Ų1860.3 Ų60.311%0.10932%0.317CS..PPolyproline II helixtrans-69.7119.3176.1177.80000108.3L570 P577 K581 L597 A600 L604L570-V579 HydrophobicContact CB-CG1 4.03Å; L570-V579 HydrophobicContact CB-CG2 4.2Å; L570-V579 HydrophobicContact CD1-CG1 3.53Å; L570-V579 HydrophobicContact CG-CG1 4.42Å; P577-V579 PolarHBondContact O-N 3.21Å; V579-K581 PolarHBondContact O-N 3.36Å; V579-L597 HydrophobicContact CG1-CD1 4Å; V579-A600 HydrophobicContact CB-CB 4.39Å; V579-A600 HydrophobicContact CG2-CB 3.86Å; V579-L604 HydrophobicContact CG2-CD1 4.2Å
580P92Very high89.3Confident25 Ų2563 Ų6316%0.16233%0.329CS..PPolyproline II helixtrans-67.1134.7179.631-36.7000110.2E578 F593 K596 L597E578-P580 WeakPolarHBondContact O-CD 3.2Å; P580-F593 HydrophobicContact CB-CD2 3.89Å; P580-F593 HydrophobicContact CB-CE2 3.62Å; P580-F593 HydrophobicContact CB-CZ 4.39Å; P580-F593 HydrophobicContact CG-CD2 4.22Å; P580-F593 HydrophobicContact CG-CE2 3.92Å; P580-F593 HydrophobicContact CG-CZ 4.24Å; P580-K596 HydrophobicContact CB-CB 4.46Å; P580-K596 HydrophobicContact CG-CB 3.95Å; P580-L597 HydrophobicContact CG-CB 3.89Å; P580-L597 HydrophobicContact CG-CD1 4.4Å
581K87.7Confident89.6Confident171 Ų17166 Ų6674%0.74336%0.357SS*.PPolyproline II helixtrans-84119.7-179.6-65.9-177.4-177.61770110.9V579 T583V579-K581 PolarHBondContact O-N 3.36Å; K581-T583 PolarHBondContact O-N 3.39Å
582A87.6Confident90Very high11 Ų1172 Ų729%0.09138%0.384CS..  trans-74.1114.3170.800000110.5H544 C587 F588 F593H544-A582 PolarHBondContact NE2-O 3.19Å; A582-C587 HydrophobicContact CB-CB 4.27Å; A582-F588 HydrophobicContact CB-CE2 3.87Å; A582-F588 HydrophobicContact CB-CZ 3.85Å; A582-F593 HydrophobicContact CB-CE1 4.36Å; A582-F593 HydrophobicContact CB-CE2 4.33Å; A582-F593 HydrophobicContact CB-CZ 3.68Å
583T85.2Confident90.5Very high128 Ų12869 Ų6979%0.78537%0.37SS*.SBendtrans-89.8-20.7175.654.20000113K581K581-T583 PolarHBondContact O-N 3.39Å
584S87.1Confident90.8Very high46 Ų4671.4 Ų71.432%0.32239%0.385SS..SBendtrans-154.4167.2174.9670000110.3H586 C587S584-H586 PolarHBondContact O-N 3.27Å; S584-H586 PolarHBondContact OG-N 2.9Å; S584-C587 WeakPolarHBondContact O-CB 3.22Å; S584-C587 PolarHBondContact O-N 2.84Å; S584-C587 PolarHBondContact O-SG 2.88Å
585L86.1Confident91.3Very high26 Ų2671.9 Ų71.914%0.13638%0.378CS..G310 helixtrans-56.9-28.3173.4-85.4167.9000114.4Y545 E548 C587 F588Y545-L585 HydrophobicContact CD2-CD1 3.45Å; Y545-L585 VanDerWaalsContact CD2-CD1 3.45Å; Y545-L585 HydrophobicContact CD2-CD2 3.65Å; Y545-L585 HydrophobicContact CD2-CG 4.2Å; Y545-L585 HydrophobicContact CE2-CD1 3.95Å; Y545-L585 HydrophobicContact CG-CD1 4.12Å; Y545-L585 HydrophobicContact CG-CD2 4.17Å; E548-L585 HydrophobicContact CB-CD1 4.18Å; E548-L585 HydrophobicContact CB-CG 4.5Å; E548-L585 VanDerWaalsContact OE2-CB 3.31Å; E548-L585 WeakPolarHBondContact OE2-CB 3.14Å; E548-L585 WeakPolarHBondContact OE2-CG 3.24Å; E548-L585 PolarHBondContact OE2-N 3.27Å; L585-C587 PolarHBondContact O-N 3.09Å; L585-F588 HydrophobicContact CD2-CD2 4.31Å; L585-F588 PolarHBondContact O-N 2.86Å; L585-F588 VanDerWaalsContact O-N 3.11Å
586H89.8Confident91.8Very high103 Ų10371 Ų7148%0.47737%0.372SS..G310 helixtrans-64.5-22.7-179.7-17358.6000112.8S584 F588 E589 Q590S584-H586 PolarHBondContact O-N 3.27Å; S584-H586 PolarHBondContact OG-N 2.9Å; H586-F588 PolarHBondContact O-N 3.41Å; H586-E589 IonicContact CE1-OE2 3.88Å; H586-E589 PolarHBondContact CE1-OE2 3.31Å; H586-E589 IonicContact CG-OE2 3.83Å; H586-E589 IonicContact ND1-OE2 2.68Å; H586-E589 PolarHBondContact ND1-OE2 2.85Å; H586-E589 WeakPolarHBondContact O-CB 3.49Å; H586-E589 PolarHBondContact O-N 2.82Å; H586-Q590 PolarHBondContact CD2-NE2 3.24Å
587C92Very high92Very high11 Ų1170.8 Ų70.87%0.07437%0.37CS..G310 helixtrans-56.8-35.8173.3-63.80000111.9A582 S584 L585 E589 Q590 F593A582-C587 HydrophobicContact CB-CB 4.27Å; S584-C587 WeakPolarHBondContact O-CB 3.22Å; S584-C587 PolarHBondContact O-N 2.84Å; S584-C587 PolarHBondContact O-SG 2.88Å; L585-C587 PolarHBondContact O-N 3.09Å; C587-E589 PolarHBondContact O-N 3.44Å; C587-Q590 PolarHBondContact O-N 3.46Å; C587-Q590 VanDerWaalsContact O-N 3.15Å; C587-F593 HydrophobicContact CB-CD1 3.88Å; C587-F593 HydrophobicContact CB-CD2 3.96Å; C587-F593 HydrophobicContact CB-CE1 3.96Å; C587-F593 HydrophobicContact CB-CE2 4.02Å; C587-F593 HydrophobicContact CB-CG 3.91Å; C587-F593 HydrophobicContact CB-CZ 4.05Å; C587-F593 WeakPolarHBondContact O-CB 3.43Å; C587-F593 WeakPolarHBondContact O-CD1 3.36Å; C587-F593 WeakPolarHBondContact O-CG 3.48Å
588F92.2Very high92.1Very high16 Ų1670.9 Ų70.97%0.0736%0.364CS..G310 helixtrans-75.9-4.7-179.4-60.7-78.2000114.1Y540 K541 H544 A582 L585 H586 F593 L597Y540-F588 AromaticContact CD1-CE1 3.84Å; Y540-F588 HydrophobicContact CD1-CE1 3.84Å; Y540-F588 AromaticContact CD1-CZ 3.8Å; Y540-F588 HydrophobicContact CD1-CZ 3.8Å; Y540-F588 AromaticContact CE1-CE1 4Å; Y540-F588 HydrophobicContact CE1-CE1 4Å; Y540-F588 AromaticContact CE1-CZ 3.71Å; Y540-F588 HydrophobicContact CE1-CZ 3.71Å; K541-F588 HydrophobicContact CB-CD1 3.96Å; K541-F588 HydrophobicContact CB-CE1 3.84Å; K541-F588 HydrophobicContact CB-CG 4.39Å; K541-F588 HydrophobicContact CB-CZ 4.17Å; K541-F588 HydrophobicContact CD-CB 4.07Å; K541-F588 HydrophobicContact CD-CD1 4.14Å; K541-F588 HydrophobicContact CD-CG 4.09Å; K541-F588 HydrophobicContact CG-CB 4.3Å; K541-F588 HydrophobicContact CG-CD1 3.89Å; K541-F588 HydrophobicContact CG-CD2 4.1Å; K541-F588 HydrophobicContact CG-CE1 4.19Å; K541-F588 HydrophobicContact CG-CE2 4.39Å; K541-F588 HydrophobicContact CG-CG 3.83Å; K541-F588 HydrophobicContact CG-CZ 4.43Å; H544-F588 HydrophobicContact CB-CE2 3.91Å; H544-F588 HydrophobicContact CB-CZ 4.2Å; A582-F588 HydrophobicContact CB-CE2 3.87Å; A582-F588 HydrophobicContact CB-CZ 3.85Å; L585-F588 HydrophobicContact CD2-CD2 4.31Å; L585-F588 PolarHBondContact O-N 2.86Å; L585-F588 VanDerWaalsContact O-N 3.11Å; H586-F588 PolarHBondContact O-N 3.41Å; F588-F593 HydrophobicContact CD1-CE1 4.01Å; F588-F593 AromaticContact CE1-CE1 3.95Å; F588-F593 HydrophobicContact CE1-CE1 3.95Å; F588-F593 HydrophobicContact CZ-CE1 4.49Å; F588-L597 HydrophobicContact CE1-CD2 4.09Å
589E92.8Very high92.5Very high148 Ų14867.9 Ų67.969%0.69235%0.352SS*.G310 helixtrans-94.7-13.8172.2-60.9174173.300111.4H586 C587H586-E589 IonicContact CE1-OE2 3.88Å; H586-E589 PolarHBondContact CE1-OE2 3.31Å; H586-E589 IonicContact CG-OE2 3.83Å; H586-E589 IonicContact ND1-OE2 2.68Å; H586-E589 PolarHBondContact ND1-OE2 2.85Å; H586-E589 WeakPolarHBondContact O-CB 3.49Å; H586-E589 PolarHBondContact O-N 2.82Å; C587-E589 PolarHBondContact O-N 3.44Å
590Q94.6Very high92.7Very high89 Ų8967 Ų6742%0.41635%0.347SS..  trans-88.7115.9-179.2-62.91751.800110.4H586 C587 E592 F593 V594H586-Q590 PolarHBondContact CD2-NE2 3.24Å; C587-Q590 PolarHBondContact O-N 3.46Å; C587-Q590 VanDerWaalsContact O-N 3.15Å; Q590-E592 VanDerWaalsContact C-N 3.29Å; Q590-E592 PolarHBondContact O-N 2.92Å; Q590-F593 HydrophobicContact CB-CB 4.08Å; Q590-F593 PolarHBondContact O-N 3Å; Q590-F593 VanDerWaalsContact O-N 3.1Å; Q590-V594 PolarHBondContact O-N 3.08Å; Q590-V594 VanDerWaalsContact O-N 3.09Å
591A94.7Very high93Very high85 Ų8566 Ų6670%0.70234%0.34SS*.Hα-helixtrans-55.5-41.4-177.900000113.1F593 V594 E595A591-F593 PolarHBondContact O-N 2.89Å; A591-V594 PolarHBondContact O-N 3.01Å; A591-E595 WeakPolarHBondContact O-CB 3.37Å; A591-E595 PolarHBondContact O-N 3.4Å
592E95.4Very high93.4Very high131 Ų13160.3 Ų60.361%0.61232%0.316SS*.Hα-helixtrans-63.3-40179-169.6-171158.400112.4Q590 K596Q590-E592 VanDerWaalsContact C-N 3.29Å; Q590-E592 PolarHBondContact O-N 2.92Å; E592-K596 HydrophobicContact CG-CD 4.36Å; E592-K596 WeakPolarHBondContact O-CB 3.37Å; E592-K596 WeakPolarHBondContact O-CG 3.48Å; E592-K596 PolarHBondContact O-N 3.15Å; E592-K596 WeakPolarHBondContact OE1-CE 3.49Å; E592-K596 IonicContact OE1-NZ 2.64Å; E592-K596 PolarHBondContact OE1-NZ 3.25Å
593F96.2Very high93.9Very high19 Ų1961.2 Ų61.28%0.08332%0.321CS..Hα-helixtrans-65.6-47177.1176.3-88.6000110.9P580 A582 C587 F588 Q590 A591 E595 K596 L597P580-F593 HydrophobicContact CB-CD2 3.89Å; P580-F593 HydrophobicContact CB-CE2 3.62Å; P580-F593 HydrophobicContact CB-CZ 4.39Å; P580-F593 HydrophobicContact CG-CD2 4.22Å; P580-F593 HydrophobicContact CG-CE2 3.92Å; P580-F593 HydrophobicContact CG-CZ 4.24Å; A582-F593 HydrophobicContact CB-CE1 4.36Å; A582-F593 HydrophobicContact CB-CE2 4.33Å; A582-F593 HydrophobicContact CB-CZ 3.68Å; C587-F593 HydrophobicContact CB-CD1 3.88Å; C587-F593 HydrophobicContact CB-CD2 3.96Å; C587-F593 HydrophobicContact CB-CE1 3.96Å; C587-F593 HydrophobicContact CB-CE2 4.02Å; C587-F593 HydrophobicContact CB-CG 3.91Å; C587-F593 HydrophobicContact CB-CZ 4.05Å; C587-F593 WeakPolarHBondContact O-CB 3.43Å; C587-F593 WeakPolarHBondContact O-CD1 3.36Å; C587-F593 WeakPolarHBondContact O-CG 3.48Å; F588-F593 HydrophobicContact CD1-CE1 4.01Å; F588-F593 AromaticContact CE1-CE1 3.95Å; F588-F593 HydrophobicContact CE1-CE1 3.95Å; F588-F593 HydrophobicContact CZ-CE1 4.49Å; Q590-F593 HydrophobicContact CB-CB 4.08Å; Q590-F593 PolarHBondContact O-N 3Å; Q590-F593 VanDerWaalsContact O-N 3.1Å; A591-F593 PolarHBondContact O-N 2.89Å; F593-E595 VanDerWaalsContact C-N 3.31Å; F593-E595 PolarHBondContact O-N 2.89Å; F593-K596 PolarHBondContact O-N 2.83Å; F593-L597 HydrophobicContact CE1-CD2 4.09Å; F593-L597 WeakPolarHBondContact O-CB 3.36Å; F593-L597 PolarHBondContact O-N 2.98Å
594V95.1Very high94.3Very high51 Ų5155.5 Ų55.531%0.30929%0.286SS..Hα-helixtrans-61.4-41.1179.6175.20000111Q590 A591 L597 K598Q590-V594 PolarHBondContact O-N 3.08Å; Q590-V594 VanDerWaalsContact O-N 3.09Å; A591-V594 PolarHBondContact O-N 3.01Å; V594-L597 PolarHBondContact O-N 3.5Å; V594-K598 WeakPolarHBondContact O-CB 3.39Å; V594-K598 PolarHBondContact O-N 2.87Å
595E96.4Very high94.8Very high96 Ų9653.3 Ų53.345%0.44927%0.271SS..Hα-helixtrans-66.4-47.1178.4-172.958.5-158.400112A591 F593 L597 K598 I599A591-E595 WeakPolarHBondContact O-CB 3.37Å; A591-E595 PolarHBondContact O-N 3.4Å; F593-E595 VanDerWaalsContact C-N 3.31Å; F593-E595 PolarHBondContact O-N 2.89Å; E595-L597 VanDerWaalsContact C-N 3.28Å; E595-L597 PolarHBondContact O-N 3.16Å; E595-K598 WeakPolarHBondContact O-CB 3.29Å; E595-K598 PolarHBondContact O-N 2.73Å; E595-K598 VanDerWaalsContact O-N 3.16Å; E595-I599 HydrophobicContact CG-CD1 4.21Å; E595-I599 WeakPolarHBondContact O-CG1 3.3Å; E595-I599 PolarHBondContact O-N 2.87Å
596K96.5Very high95.3Very high106 Ų10654.9 Ų54.946%0.46128%0.276SS..Hα-helixtrans-58.3-42174.7-76.4173.4172.61710111.8P580 E592 F593 A600P580-K596 HydrophobicContact CB-CB 4.46Å; P580-K596 HydrophobicContact CG-CB 3.95Å; E592-K596 HydrophobicContact CG-CD 4.36Å; E592-K596 WeakPolarHBondContact O-CB 3.37Å; E592-K596 WeakPolarHBondContact O-CG 3.48Å; E592-K596 PolarHBondContact O-N 3.15Å; E592-K596 WeakPolarHBondContact OE1-CE 3.49Å; E592-K596 IonicContact OE1-NZ 2.64Å; E592-K596 PolarHBondContact OE1-NZ 3.25Å; F593-K596 PolarHBondContact O-N 2.83Å; K596-A600 WeakPolarHBondContact O-CB 3.45Å; K596-A600 PolarHBondContact O-N 3.4Å; K596-A600 VanDerWaalsContact O-N 3.11Å
597L95.9Very high95.5Very high1 Ų150.2 Ų50.21%0.00526%0.255CS..Hα-helixtrans-62.2-46.8176.5-178.761.5000110.6I537 Y540 L570 V579 P580 F588 F593 V594 E595 I599 A600 I601I537-L597 HydrophobicContact CG1-CD2 4.3Å; I537-L597 HydrophobicContact CG1-CG 4.33Å; I537-L597 HydrophobicContact CG2-CD2 4.4Å; Y540-L597 HydrophobicContact CD1-CD2 4.15Å; Y540-L597 HydrophobicContact CE1-CD2 4.36Å; L570-L597 HydrophobicContact CD1-CD1 4.4Å; V579-L597 HydrophobicContact CG1-CD1 4Å; P580-L597 HydrophobicContact CG-CB 3.89Å; P580-L597 HydrophobicContact CG-CD1 4.4Å; F588-L597 HydrophobicContact CE1-CD2 4.09Å; F593-L597 HydrophobicContact CE1-CD2 4.09Å; F593-L597 WeakPolarHBondContact O-CB 3.36Å; F593-L597 PolarHBondContact O-N 2.98Å; V594-L597 PolarHBondContact O-N 3.5Å; E595-L597 VanDerWaalsContact C-N 3.28Å; E595-L597 PolarHBondContact O-N 3.16Å; L597-I599 PolarHBondContact O-N 2.91Å; L597-A600 PolarHBondContact O-N 3.39Å; L597-I601 HydrophobicContact CD1-CD1 4.22Å; L597-I601 HydrophobicContact CD1-CG1 3.95Å; L597-I601 HydrophobicContact CG-CG1 4.22Å; L597-I601 VanDerWaalsContact O-CG1 3.28Å; L597-I601 WeakPolarHBondContact O-CG1 3.38Å; L597-I601 PolarHBondContact O-N 3.16Å
598K97Very high95.6Very high69 Ų6949.9 Ų49.930%0.325%0.252SS..Hα-helixtrans-56.8-48.6179-172.5-173.3174.7-172.80112.3V533 I537 V594 E595 A600 I601 E602V533-K598 HydrophobicContact CG1-CG 3.75Å; I537-K598 HydrophobicContact CD1-CB 4.1Å; I537-K598 HydrophobicContact CD1-CG 4.35Å; V594-K598 WeakPolarHBondContact O-CB 3.39Å; V594-K598 PolarHBondContact O-N 2.87Å; E595-K598 WeakPolarHBondContact O-CB 3.29Å; E595-K598 PolarHBondContact O-N 2.73Å; E595-K598 VanDerWaalsContact O-N 3.16Å; K598-A600 VanDerWaalsContact C-N 3.34Å; K598-A600 PolarHBondContact O-N 3.12Å; K598-I601 PolarHBondContact O-N 3.17Å; K598-E602 WeakPolarHBondContact O-CB 3.37Å; K598-E602 PolarHBondContact O-N 2.9Å
599I97Very high95.8Very high75 Ų7549.1 Ų49.139%0.38525%0.249SC..Hα-helixtrans-62.1-43.4179.4-62.3167.5000110.8P577 E595 L597 E602 C603P577-I599 HydrophobicContact CG-CG2 3.86Å; E595-I599 HydrophobicContact CG-CD1 4.21Å; E595-I599 WeakPolarHBondContact O-CG1 3.3Å; E595-I599 PolarHBondContact O-N 2.87Å; L597-I599 PolarHBondContact O-N 2.91Å; I599-E602 PolarHBondContact O-N 2.7Å; I599-C603 PolarHBondContact O-N 2.99Å
600A96.2Very high95.9Very high1 Ų142.9 Ų42.91%0.00822%0.22CC..Hα-helixtrans-63.8-48178.200000111.4V579 K596 L597 K598 E602 C603 L604V579-A600 HydrophobicContact CB-CB 4.39Å; V579-A600 HydrophobicContact CG2-CB 3.86Å; K596-A600 WeakPolarHBondContact O-CB 3.45Å; K596-A600 PolarHBondContact O-N 3.4Å; K596-A600 VanDerWaalsContact O-N 3.11Å; L597-A600 PolarHBondContact O-N 3.39Å; K598-A600 VanDerWaalsContact C-N 3.34Å; K598-A600 PolarHBondContact O-N 3.12Å; A600-E602 VanDerWaalsContact C-N 3.33Å; A600-E602 PolarHBondContact O-N 2.86Å; A600-C603 WeakPolarHBondContact O-CB 3.48Å; A600-C603 PolarHBondContact O-N 2.76Å; A600-L604 WeakPolarHBondContact O-CG 3.31Å; A600-L604 PolarHBondContact O-N 3.42Å
601I96.8Very high95.9Very high2 Ų238.6 Ų38.61%0.0120%0.201CC..Hα-helixtrans-62.1-39.1177.9-64.5-52.4000111.6V533 I536 I537 L570 L597 K598 C603 L604 V605V533-I601 HydrophobicContact CB-CG2 4.24Å; V533-I601 HydrophobicContact CG1-CB 4.31Å; V533-I601 HydrophobicContact CG1-CG2 4.04Å; V533-I601 HydrophobicContact CG2-CG2 4.12Å; I536-I601 HydrophobicContact CB-CG2 3.81Å; I536-I601 HydrophobicContact CD1-CG2 3.84Å; I536-I601 HydrophobicContact CG1-CG2 4.44Å; I536-I601 HydrophobicContact CG2-CD1 3.86Å; I536-I601 HydrophobicContact CG2-CG1 4.25Å; I536-I601 HydrophobicContact CG2-CG2 3.74Å; I537-I601 HydrophobicContact CG1-CG1 4.25Å; L570-I601 HydrophobicContact CD1-CD1 3.89Å; L570-I601 HydrophobicContact CD2-CD1 3.63Å; L570-I601 HydrophobicContact CG-CD1 4.39Å; L597-I601 HydrophobicContact CD1-CD1 4.22Å; L597-I601 HydrophobicContact CD1-CG1 3.95Å; L597-I601 HydrophobicContact CG-CG1 4.22Å; L597-I601 VanDerWaalsContact O-CG1 3.28Å; L597-I601 WeakPolarHBondContact O-CG1 3.38Å; L597-I601 PolarHBondContact O-N 3.16Å; K598-I601 PolarHBondContact O-N 3.17Å; I601-C603 VanDerWaalsContact C-N 3.31Å; I601-C603 PolarHBondContact O-N 3.34Å; I601-L604 HydrophobicContact CD1-CD1 4.02Å; I601-L604 WeakPolarHBondContact O-CB 3.32Å; I601-L604 PolarHBondContact O-N 3.42Å; I601-L604 VanDerWaalsContact O-N 3.15Å; I601-V605 HydrophobicContact CG2-CG2 4.23Å; I601-V605 WeakPolarHBondContact O-CG2 3.4Å; I601-V605 PolarHBondContact O-N 3.03Å
602E97.4Very high95.9Very high52 Ų5235.5 Ų35.524%0.24317%0.172CC..Hα-helixtrans-57.5-45.6175-178.5179155.800111.5V529 V533 K598 I599 A600 L604 V605 K606V529-E602 HydrophobicContact CG1-CG 3.71Å; V533-E602 HydrophobicContact CG2-CB 3.99Å; K598-E602 WeakPolarHBondContact O-CB 3.37Å; K598-E602 PolarHBondContact O-N 2.9Å; I599-E602 PolarHBondContact O-N 2.7Å; A600-E602 VanDerWaalsContact C-N 3.33Å; A600-E602 PolarHBondContact O-N 2.86Å; E602-L604 VanDerWaalsContact C-N 3.33Å; E602-L604 PolarHBondContact O-N 3.38Å; E602-V605 PolarHBondContact O-N 3.13Å; E602-K606 HydrophobicContact CG-CD 4.35Å; E602-K606 WeakPolarHBondContact O-CG 3.4Å; E602-K606 PolarHBondContact O-N 3.05Å; E602-K606 IonicContact OE1-NZ 2.77Å; E602-K606 PolarHBondContact OE1-NZ 2.86Å
603C96.6Very high95.9Very high31 Ų3132.5 Ų32.521%0.20916%0.156CC..Hα-helixtrans-63.2-39.5176.6-168.70000112C576 I599 A600 I601 K606 S607C576-C603 WeakPolarHBondContact CA-SG 3.21Å; C576-C603 HydrophobicContact CB-CB 3.64Å; C576-C603 WeakPolarHBondContact CB-SG 3.49Å; C576-C603 WeakPolarHBondContact SG-CB 3.26Å; C576-C603 CovalentContact SG-SG 2.03Å; C576-C603 PolarHBondContact SG-SG 2.89Å; I599-C603 PolarHBondContact O-N 2.99Å; A600-C603 WeakPolarHBondContact O-CB 3.48Å; A600-C603 PolarHBondContact O-N 2.76Å; I601-C603 VanDerWaalsContact C-N 3.31Å; I601-C603 PolarHBondContact O-N 3.34Å; C603-K606 PolarHBondContact O-N 3.36Å; C603-S607 VanDerWaalsContact O-CB 3.25Å; C603-S607 WeakPolarHBondContact O-CB 3.39Å; C603-S607 PolarHBondContact O-N 3.33Å; C603-S607 PolarHBondContact O-OG 2.98Å
604L94.8Very high95.9Very high8 Ų832.6 Ų32.64%0.04216%0.156CC..Hα-helixtrans-62.4-47.5174.8-61.8-176.1000111.8L570 P571 F573 V579 A600 I601 E602 K606 S607 I608L570-L604 HydrophobicContact CB-CD1 4.44Å; L570-L604 HydrophobicContact CD2-CD1 4.22Å; P571-L604 HydrophobicContact CG-CD1 4.4Å; P571-L604 HydrophobicContact CG-CD2 4.25Å; P571-L604 WeakPolarHBondContact O-CD2 3.39Å; F573-L604 HydrophobicContact CD2-CD2 3.54Å; F573-L604 HydrophobicContact CE2-CD2 3.53Å; V579-L604 HydrophobicContact CG2-CD1 4.2Å; A600-L604 WeakPolarHBondContact O-CG 3.31Å; A600-L604 PolarHBondContact O-N 3.42Å; I601-L604 HydrophobicContact CD1-CD1 4.02Å; I601-L604 WeakPolarHBondContact O-CB 3.32Å; I601-L604 PolarHBondContact O-N 3.42Å; I601-L604 VanDerWaalsContact O-N 3.15Å; E602-L604 VanDerWaalsContact C-N 3.33Å; E602-L604 PolarHBondContact O-N 3.38Å; L604-K606 VanDerWaalsContact C-N 3.33Å; L604-K606 PolarHBondContact O-N 3.17Å; L604-S607 PolarHBondContact O-N 3.16Å; L604-I608 WeakPolarHBondContact O-CG1 3.46Å; L604-I608 PolarHBondContact O-N 3.43Å; L604-I608 VanDerWaalsContact O-N 3.08Å
605V96.8Very high96Very high0 Ų031.3 Ų31.30%015%0.147CC..Hα-helixtrans-54.9-50.6177.8167.40000110.1I385 L523 L532 V533 I536 I601 E602 S607 T609I385-V605 HydrophobicContact CG1-CG2 4.3Å; L523-V605 HydrophobicContact CD1-CG1 3.51Å; L532-V605 HydrophobicContact CB-CG1 4.12Å; L532-V605 HydrophobicContact CB-CG2 4.21Å; L532-V605 HydrophobicContact CD1-CG1 3.95Å; V533-V605 HydrophobicContact CG2-CG2 4.15Å; I536-V605 HydrophobicContact CD1-CG2 3.4Å; I601-V605 HydrophobicContact CG2-CG2 4.23Å; I601-V605 WeakPolarHBondContact O-CG2 3.4Å; I601-V605 PolarHBondContact O-N 3.03Å; E602-V605 PolarHBondContact O-N 3.13Å; V605-S607 VanDerWaalsContact C-N 3.28Å; V605-S607 PolarHBondContact O-N 3.38Å; V605-T609 PolarHBondContact O-N 3.01Å; V605-T609 PolarHBondContact O-OG1 3.27Å
606K96.8Very high96Very high59 Ų5926.7 Ų26.726%0.25713%0.126SC..Hα-helixtrans-65-29.7178-69.3175.9171.1168.90113.3S149 A150 L151 E602 C603 L604S149-K606 CarbonylContact C-O 3.49Å; S149-K606 VanDerWaalsContact CA-O 3.28Å; S149-K606 WeakPolarHBondContact CA-O 3.38Å; A150-K606 PolarHBondContact N-O 3.29Å; L151-K606 HydrophobicContact CD1-CB 4.12Å; L151-K606 WeakPolarHBondContact CG-O 3.31Å; L151-K606 PolarHBondContact N-O 3.34Å; E602-K606 HydrophobicContact CG-CD 4.35Å; E602-K606 WeakPolarHBondContact O-CG 3.4Å; E602-K606 PolarHBondContact O-N 3.05Å; E602-K606 IonicContact OE1-NZ 2.77Å; E602-K606 PolarHBondContact OE1-NZ 2.86Å; C603-K606 PolarHBondContact O-N 3.36Å; L604-K606 VanDerWaalsContact C-N 3.33Å; L604-K606 PolarHBondContact O-N 3.17Å
607S95.2Very high95.9Very high4 Ų421.7 Ų21.73%0.02810%0.104CC..Hα-helixtrans-77.2-42.9-175.7-65.80000114A150 L151 K152 C603 L604 V605A150-S607 CarbonylContact C-O 3.59Å; A150-S607 VanDerWaalsContact C-O 3.24Å; A150-S607 WeakPolarHBondContact CA-O 3.46Å; L151-S607 PolarHBondContact N-O 3.49Å; L151-S607 VanDerWaalsContact N-O 3.17Å; K152-S607 PolarHBondContact N-O 3.36Å; C603-S607 VanDerWaalsContact O-CB 3.25Å; C603-S607 WeakPolarHBondContact O-CB 3.39Å; C603-S607 PolarHBondContact O-N 3.33Å; C603-S607 PolarHBondContact O-OG 2.98Å; L604-S607 PolarHBondContact O-N 3.16Å; V605-S607 VanDerWaalsContact C-N 3.28Å; V605-S607 PolarHBondContact O-N 3.38Å
608I93.1Very high95.9Very high4 Ų421.6 Ų21.62%0.02110%0.104CC..Hα-helixtrans-12926.7-165.456.1158.9000114I385 F466 Y474 P571 F573 L604 L610I385-I608 HydrophobicContact CD1-CG1 4.16Å; I385-I608 HydrophobicContact CG2-CD1 4.26Å; F466-I608 HydrophobicContact CE1-CB 4.39Å; F466-I608 HydrophobicContact CE1-CG2 3.94Å; Y474-I608 HydrophobicContact CD2-CD1 3.72Å; Y474-I608 HydrophobicContact CE2-CD1 3.6Å; P571-I608 HydrophobicContact CG-CD1 4.21Å; F573-I608 HydrophobicContact CE1-CG2 4.32Å; F573-I608 HydrophobicContact CE2-CD1 4.42Å; F573-I608 HydrophobicContact CE2-CG1 4.3Å; F573-I608 HydrophobicContact CE2-CG2 3.72Å; F573-I608 HydrophobicContact CZ-CD1 4.38Å; F573-I608 HydrophobicContact CZ-CG2 3.42Å; F573-I608 VanDerWaalsContact CZ-CG2 3.42Å; L604-I608 WeakPolarHBondContact O-CG1 3.46Å; L604-I608 PolarHBondContact O-N 3.43Å; L604-I608 VanDerWaalsContact O-N 3.08Å; I608-L610 PolarHBondContact O-N 2.91Å
609T95.6Very high95.9Very high0 Ų018.3 Ų18.30%09%0.09CC..  trans-61.1133.1170.1-68.10000111.2P383 Y522 L523 V605P383-T609 HydrophobicContact CB-CG2 3.67Å; Y522-T609 HydrophobicContact CD2-CG2 3.92Å; Y522-T609 HydrophobicContact CG-CG2 4.45Å; L523-T609 HydrophobicContact CD1-CG2 4.39Å; L523-T609 WeakPolarHBondContact CD1-OG1 3.48Å; V605-T609 PolarHBondContact O-N 3.01Å; V605-T609 PolarHBondContact O-OG1 3.27Å
610L95.2Very high95.7Very high17 Ų1715 Ų159%0.0897%0.073CC..EExtended strand (participates in β ladder)trans-121.5171.2175.4-62.2174.6000110.5L153 P383 M384 F466 I608L153-L610 HydrophobicContact CD1-CD2 3.6Å; P383-L610 CarbonylContact C-O 3.18Å; P383-L610 WeakPolarHBondContact CA-O 3.45Å; M384-L610 HydrophobicContact CE-CB 3.98Å; M384-L610 HydrophobicContact CE-CD1 4.33Å; M384-L610 HydrophobicContact CG-CB 4.12Å; M384-L610 PolarHBondContact N-O 3.44Å; M384-L610 PolarHBondContact O-N 2.87Å; F466-L610 HydrophobicContact CE2-CD1 4.31Å; F466-L610 HydrophobicContact CZ-CD1 4.27Å; I608-L610 PolarHBondContact O-N 2.91Å
611S95.8Very high95.4Very high0 Ų015.3 Ų15.30%07%0.074CC..EExtended strand (participates in β ladder)trans-90142172.51710000110.7D381 M384 Y522 Y613D381-S611 WeakPolarHBondContact OD2-CB 3.41Å; D381-S611 PolarHBondContact OD2-OG 3.25Å; M384-S611 WeakPolarHBondContact CE-O 3.39Å; Y522-S611 VanDerWaalsContact OH-CB 3.27Å; Y522-S611 WeakPolarHBondContact OH-CB 3.16Å; Y522-S611 PolarHBondContact OH-OG 3.48Å; S611-Y613 PolarHBondContact O-N 3.04Å; S611-Y613 WeakPolarHBondContact OG-CA 3.42Å; S611-Y613 PolarHBondContact OG-N 3.47Å
612N94Very high94.2Very high19 Ų1918.4 Ų18.410%0.1029%0.089CC..  trans-79.31162.8-88.9-68.3000113.6H382 M384 S492 H614H382-N612 HydrophobicContact CB-CB 3.97Å; H382-N612 WeakPolarHBondContact CB-ND2 3.41Å; H382-N612 WeakPolarHBondContact O-CB 3.36Å; H382-N612 PolarHBondContact O-N 3.4Å; H382-N612 VanDerWaalsContact O-N 3.08Å; H382-N612 PolarHBondContact O-ND2 3.43Å; M384-N612 WeakPolarHBondContact CB-ND2 3.47Å; M384-N612 PolarHBondContact SD-OD1 2.96Å; S492-N612 WeakPolarHBondContact CB-ND2 3.39Å; S492-N612 PolarHBondContact OG-ND2 2.9Å; S492-N612 PolarHBondContact OG-OD1 3.49Å; N612-H614 VanDerWaalsContact C-N 3.29Å; N612-H614 WeakPolarHBondContact CB-ND1 3.48Å; N612-H614 PolarHBondContact O-CD2 3.09Å; N612-H614 PolarHBondContact O-N 3.39Å
613Y95.1Very high92.6Very high68 Ų6817.1 Ų17.127%0.2678%0.083SC..SBendtrans64.434.1-176.4-37-58.3000112.5L160 P161 S611L160-Y613 HydrophobicContact CD2-CD1 4.45Å; P161-Y613 VanDerWaalsContact CD-CE1 3.4Å; P161-Y613 HydrophobicContact CG-CD1 3.98Å; P161-Y613 HydrophobicContact CG-CD2 4.48Å; P161-Y613 HydrophobicContact CG-CE1 3.76Å; P161-Y613 HydrophobicContact CG-CE2 4.27Å; P161-Y613 HydrophobicContact CG-CG 4.32Å; S611-Y613 PolarHBondContact O-N 3.04Å; S611-Y613 WeakPolarHBondContact OG-CA 3.42Å; S611-Y613 PolarHBondContact OG-N 3.47Å
614H96.8Very high90.3Very high22 Ų2221.2 Ų21.210%0.10211%0.109CC..  trans-10636.7-179.7-62.8157.5000111.7D381 H382 N612 V616 I655 N659 P660D381-H614 WeakPolarHBondContact OD1-CA 3.42Å; D381-H614 WeakPolarHBondContact OD1-CB 2.99Å; D381-H614 PolarHBondContact OD1-N 3.25Å; H382-H614 HydrophobicContact CB-CB 4.48Å; H382-H614 AromaticContact CG-ND1 3.86Å; H382-H614 AromaticContact ND1-CG 3.81Å; H382-H614 AromaticContact ND1-ND1 3.09Å; H382-H614 PolarHBondContact ND1-ND1 3.26Å; N612-H614 VanDerWaalsContact C-N 3.29Å; N612-H614 WeakPolarHBondContact CB-ND1 3.48Å; N612-H614 PolarHBondContact O-CD2 3.09Å; N612-H614 PolarHBondContact O-N 3.39Å; H614-V616 PolarHBondContact O-N 3.49Å; H614-I655 HydrophobicContact CB-CD1 4.02Å; H614-I655 VanDerWaalsContact O-CD1 3.23Å; H614-I655 WeakPolarHBondContact O-CD1 3.39Å; H614-N659 PolarHBondContact CE1-ND2 3.46Å; H614-N659 PolarHBondContact NE2-ND2 3.34Å; H614-P660 HydrophobicContact CB-CG 3.92Å; H614-P660 WeakPolarHBondContact CD2-CD 3.41Å; H614-P660 VanDerWaalsContact CG-CD 3.47Å
615L97.4Very high88.3Confident23 Ų2325.3 Ų25.312%0.1214%0.139CC..  trans-60128.9-177.7-72.484.6000111.2L160 T343 V344 L379 H380 D381 I518L160-L615 HydrophobicContact CD1-CD1 4.36Å; L160-L615 HydrophobicContact CD1-CD2 3.74Å; L160-L615 HydrophobicContact CD2-CD1 4.14Å; T343-L615 WeakPolarHBondContact CB-O 3.24Å; T343-L615 HydrophobicContact CG2-CB 3.97Å; T343-L615 PolarHBondContact OG1-O 3.38Å; V344-L615 HydrophobicContact CG2-CD2 4.25Å; L379-L615 HydrophobicContact CD1-CB 4.05Å; L379-L615 HydrophobicContact CD1-CD2 3.92Å; L379-L615 HydrophobicContact CD1-CG 4.19Å; L379-L615 HydrophobicContact CD2-CD2 4.4Å; H380-L615 CarbonylContact O-C 3.58Å; H380-L615 VanDerWaalsContact O-CA 3.26Å; H380-L615 WeakPolarHBondContact O-CA 3.46Å; D381-L615 HydrophobicContact CB-CG 4.4Å; D381-L615 WeakPolarHBondContact OD2-CD1 3.4Å; I518-L615 HydrophobicContact CG2-CD2 4.49Å
616V96.4Very high86.3Confident0 Ų031.6 Ų31.60%017%0.166CC..BIsolated β-bridgetrans-144168.6176.3-58.60000112.9H380 H614 A649 I652 I655H380-V616 HydrophobicContact CB-CG2 3.71Å; H380-V616 PolarHBondContact N-O 3.32Å; H380-V616 PolarHBondContact O-N 3.13Å; H614-V616 PolarHBondContact O-N 3.49Å; V616-A649 WeakPolarHBondContact CA-O 3.34Å; V616-A649 VanDerWaalsContact CB-O 3.31Å; V616-A649 WeakPolarHBondContact CB-O 3.49Å; V616-A649 HydrophobicContact CG1-CB 4.18Å; V616-I652 HydrophobicContact CB-CB 3.96Å; V616-I652 HydrophobicContact CB-CD1 4.42Å; V616-I652 HydrophobicContact CB-CG2 4.16Å; V616-I652 HydrophobicContact CG1-CB 4.29Å; V616-I652 HydrophobicContact CG1-CD1 3.81Å; V616-I652 HydrophobicContact CG1-CG2 4.4Å; V616-I652 HydrophobicContact CG2-CB 4.3Å; V616-I652 HydrophobicContact CG2-CG2 3.98Å; V616-I655 HydrophobicContact CG2-CB 3.65Å; V616-I655 HydrophobicContact CG2-CD1 4.13Å; V616-I655 HydrophobicContact CG2-CG1 3.76Å
617G94.6Very high84.2Confident0 Ų034.3 Ų34.30%018%0.184CC..  trans95.8-5.4159.900000118.7N378 C619 S620 A649 S650 I652N378-G617 CarbonylContact O-C 3.5Å; N378-G617 WeakPolarHBondContact O-CA 3.46Å; G617-C619 PolarHBondContact O-N 3.34Å; G617-C619 VanDerWaalsContact O-N 3.09Å; G617-S620 PolarHBondContact O-N 3.09Å; G617-S620 VanDerWaalsContact O-N 3.13Å; G617-S620 PolarHBondContact O-OG 3.08Å; G617-A649 PolarHBondContact N-O 2.97Å; G617-S650 CarbonylContact C-O 3.56Å; G617-S650 WeakPolarHBondContact CA-O 3.48Å; G617-S650 PolarHBondContact N-O 3.39Å; G617-I652 WeakPolarHBondContact CA-O 3.12Å; G617-I652 PolarHBondContact N-O 3.02Å
618T96.3Very high82.4Confident0 Ų041.7 Ų41.70%022%0.223CC..THydrogen-bonded Turntrans-68.8-9.9-175.853.20000116.1T343 P347 G376 E377 L379 I502 S650T343-T618 HydrophobicContact CG2-CG2 3.59Å; T343-T618 WeakPolarHBondContact CG2-OG1 3.32Å; T343-T618 WeakPolarHBondContact O-CB 3.42Å; T343-T618 WeakPolarHBondContact O-CG2 3.48Å; T343-T618 PolarHBondContact O-OG1 3.01Å; P347-T618 HydrophobicContact CG-CG2 4.38Å; G376-T618 PolarHBondContact N-O 3.41Å; E377-T618 WeakPolarHBondContact O-CA 3.35Å; L379-T618 HydrophobicContact CB-CG2 4.01Å; L379-T618 HydrophobicContact CD1-CG2 3.79Å; L379-T618 HydrophobicContact CG-CG2 4.44Å; I502-T618 HydrophobicContact CD1-CG2 3.79Å; I502-T618 HydrophobicContact CG1-CG2 3.95Å; T618-S650 PolarHBondContact N-O 3.41Å; T618-S650 WeakPolarHBondContact OG1-CB 3.49Å
619C96.1Very high81.6Confident0 Ų044 Ų440%024%0.239CC..THydrogen-bonded Turntrans-133.347171.5-63.70000109.6T346 G617 V631 S650 V651T346-C619 HydrophobicContact CG2-CB 4.49Å; G617-C619 PolarHBondContact O-N 3.34Å; G617-C619 VanDerWaalsContact O-N 3.09Å; C619-V631 HydrophobicContact CB-CB 4.19Å; C619-V631 HydrophobicContact CB-CG1 3.95Å; C619-S650 CarbonylContact C-O 3.55Å; C619-S650 WeakPolarHBondContact CA-O 3.48Å; C619-S650 WeakPolarHBondContact CB-OG 3.04Å; C619-S650 PolarHBondContact N-O 2.73Å; C619-V651 WeakPolarHBondContact O-CA 3.3Å
620S93.1Very high81.4Confident5 Ų544.2 Ų44.24%0.03524%0.241CC..  trans-47138-170.4-73.40000114.5N378 G617 V631 V632 S650N378-S620 PolarHBondContact ND2-OG 2.9Å; G617-S620 PolarHBondContact O-N 3.09Å; G617-S620 VanDerWaalsContact O-N 3.13Å; G617-S620 PolarHBondContact O-OG 3.08Å; S620-V631 PolarHBondContact O-N 2.97Å; S620-V632 PolarHBondContact O-N 3.05Å; S620-S650 PolarHBondContact N-O 3.43Å
621M90.2Very high81.3Confident8 Ų843.5 Ų43.54%0.03924%0.237CC..BIsolated β-bridgetrans-71.1153.1168.4-171.5166.962.700111.6E189 F190 L623 V632 D633 L636 V651E189-M621 HydrophobicContact CB-CE 3.57Å; E189-M621 HydrophobicContact CG-CE 3.93Å; E189-M621 WeakPolarHBondContact OE2-CE 3.21Å; F190-M621 HydrophobicContact CD2-CE 4.3Å; F190-M621 HydrophobicContact CE1-CE 4.32Å; F190-M621 HydrophobicContact CE1-SD 4.44Å; F190-M621 HydrophobicContact CE2-CE 3.7Å; F190-M621 HydrophobicContact CZ-CE 3.73Å; F190-M621 HydrophobicContact CZ-SD 4.06Å; M621-L623 PolarHBondContact O-N 3.19Å; M621-L623 VanDerWaalsContact O-N 3.14Å; M621-V632 WeakPolarHBondContact CA-O 3.47Å; M621-V632 HydrophobicContact CB-CG2 3.81Å; M621-V632 HydrophobicContact CG-CG2 4.15Å; M621-D633 WeakPolarHBondContact CG-O 3.21Å; M621-L636 HydrophobicContact SD-CD2 3.84Å; M621-V651 WeakPolarHBondContact CB-O 3.13Å; M621-V651 PolarHBondContact N-O 2.6Å
622Q70.8Confident81.2Confident67 Ų6743.5 Ų43.531%0.31324%0.237SC..  trans-63.9111.9179.1-170.4154.21000112.7N627 A630 V632Q622-N627 PolarHBondContact NE2-OD1 3.34Å; Q622-A630 VanDerWaalsContact CA-CB 3.41Å; Q622-A630 HydrophobicContact CB-CB 3.49Å; Q622-A630 VanDerWaalsContact CB-CB 3.49Å; Q622-A630 HydrophobicContact CG-CB 3.94Å; Q622-V632 PolarHBondContact N-O 2.98Å
623L64.2Low81.1Confident24 Ų2444.5 Ų44.513%0.12624%0.243CC..  trans-71.3130.8166.3-77.6168000109.2E189 M621 S625 K626E189-L623 WeakPolarHBondContact OE1-CD2 3.1Å; M621-L623 PolarHBondContact O-N 3.19Å; M621-L623 VanDerWaalsContact O-N 3.14Å; L623-S625 PolarHBondContact O-N 2.95Å; L623-K626 PolarHBondContact O-N 3.32Å
624P48.5Very low80.7Confident117 Ų11748.5 Ų48.576%0.7626%0.261SS*.THydrogen-bonded Turntrans-53.4-26.9175.3-2532.6000113.3
625S51.6Low80.4Confident94 Ų9449.4 Ų49.466%0.65727%0.267SS*.THydrogen-bonded Turntrans-87-10.9-177.657.80000114.7L623L623-S625 PolarHBondContact O-N 2.95Å
626K55.6Low80.3Confident133 Ų13348.3 Ų48.358%0.57826%0.262SS*.  trans-143.191.6-175.6-70-172.9178.3178.30112.2L623 N628L623-K626 PolarHBondContact O-N 3.32Å; K626-N628 VanDerWaalsContact C-N 3.28Å; K626-N628 PolarHBondContact O-N 2.97Å; K626-N628 VanDerWaalsContact O-N 3.15Å
627N53.4Low80.2Confident116 Ų11651.1 Ų51.162%0.6227%0.274SS*.THydrogen-bonded Turntrans-67.7-11.2-173.2-89-16.1000116.9Q622Q622-N627 PolarHBondContact NE2-OD1 3.34Å
628N57.4Low80.2Confident158 Ų15851.2 Ų51.285%0.84527%0.274SS*.THydrogen-bonded Turntrans-122.114.7-171.3-772.5000115.3K626K626-N628 VanDerWaalsContact C-N 3.28Å; K626-N628 PolarHBondContact O-N 2.97Å; K626-N628 VanDerWaalsContact O-N 3.15Å
629S76.6Confident79.9Confident52 Ų5253.9 Ų53.936%0.36429%0.288SS..SBendtrans-116.512.917964.40000114.2P374P374-S629 VanDerWaalsContact CG-C 3.44Å; P374-S629 WeakPolarHBondContact CG-O 3.23Å
630A90.1Very high79.6Confident6 Ų656.6 Ų56.65%0.0532%0.315CS..  trans-96.2143.4-174.300000112.5P374 Q622 I639P374-A630 WeakPolarHBondContact CD-O 3.48Å; Q622-A630 VanDerWaalsContact CA-CB 3.41Å; Q622-A630 HydrophobicContact CB-CB 3.49Å; Q622-A630 VanDerWaalsContact CB-CB 3.49Å; Q622-A630 HydrophobicContact CG-CB 3.94Å; A630-I639 HydrophobicContact CB-CD1 3.67Å
631V93.8Very high79.5Confident1 Ų156.8 Ų56.81%0.00632%0.316CS..SBendtrans-103.1-36.7168.6176.20000110.5L350 L373 P374 V375 C619 S620 I639L350-V631 HydrophobicContact CD1-CG1 4.21Å; L373-V631 HydrophobicContact CD1-CG1 4.31Å; P374-V631 HydrophobicContact CG-CG2 4.1Å; V375-V631 HydrophobicContact CG2-CG1 3.76Å; V375-V631 HydrophobicContact CG2-CG2 3.89Å; C619-V631 HydrophobicContact CB-CB 4.19Å; C619-V631 HydrophobicContact CB-CG1 3.95Å; S620-V631 PolarHBondContact O-N 2.97Å; V631-I639 PolarHBondContact O-N 2.84Å
632V93.9Very high79.5Confident0 Ų058.8 Ų58.80%033%0.331CS..BIsolated β-bridgetrans-119.6151.1178.1-56.40000112.9S620 M621 Q622 L636 K637 I638 V646 V651S620-V632 PolarHBondContact O-N 3.05Å; M621-V632 WeakPolarHBondContact CA-O 3.47Å; M621-V632 HydrophobicContact CB-CG2 3.81Å; M621-V632 HydrophobicContact CG-CG2 4.15Å; Q622-V632 PolarHBondContact N-O 2.98Å; V632-L636 HydrophobicContact CG2-CD2 4.16Å; V632-K637 CarbonylContact C-O 3.39Å; V632-K637 WeakPolarHBondContact CA-O 3.45Å; V632-K637 WeakPolarHBondContact CB-O 3.2Å; V632-I638 HydrophobicContact CG1-CG1 4.18Å; V632-V646 HydrophobicContact CG1-CB 4.1Å; V632-V646 HydrophobicContact CG1-CG2 4.01Å; V632-V651 HydrophobicContact CG2-CB 4.09Å; V632-V651 HydrophobicContact CG2-CG1 4.04Å
633D90.5Very high80.6Confident40 Ų4057 Ų5721%0.21432%0.324CS..  trans-78.3177.5172.180.6-5.3000112M621 N635 L636 K637 I639M621-D633 WeakPolarHBondContact CG-O 3.21Å; D633-N635 PolarHBondContact O-N 2.87Å; D633-N635 VanDerWaalsContact O-N 3.09Å; D633-N635 VanDerWaalsContact OD1-CA 3.25Å; D633-N635 WeakPolarHBondContact OD1-CA 3.2Å; D633-N635 WeakPolarHBondContact OD1-CB 3.28Å; D633-N635 PolarHBondContact OD1-N 3.17Å; D633-N635 PolarHBondContact OD2-ND2 3.45Å; D633-L636 WeakPolarHBondContact O-CA 3.28Å; D633-L636 PolarHBondContact O-N 3.04Å; D633-L636 PolarHBondContact OD1-N 2.81Å; D633-K637 PolarHBondContact N-O 3.23Å; D633-K637 WeakPolarHBondContact OD1-CB 3.31Å; D633-K637 PolarHBondContact OD1-N 2.89Å; D633-I639 HydrophobicContact CB-CG1 4.44Å
634K87.8Confident82.2Confident152 Ų15256 Ų5666%0.66132%0.318SS*.THydrogen-bonded Turntrans-60.2-17.1177.269178.5-177.2177.70115L636 Y674K634-L636 VanDerWaalsContact C-N 3.34Å; K634-Y674 VanDerWaalsContact O-CE2 3.27Å; K634-Y674 WeakPolarHBondContact O-CE2 3.35Å; K634-Y674 PolarHBondContact O-OH 3.03Å
635N90.6Very high84.5Confident42 Ų4250.4 Ų50.423%0.22528%0.282CS..THydrogen-bonded Turntrans-98.410.9176.5-51.4-59000111.7D633 K637 R645 Y674D633-N635 PolarHBondContact O-N 2.87Å; D633-N635 VanDerWaalsContact O-N 3.09Å; D633-N635 VanDerWaalsContact OD1-CA 3.25Å; D633-N635 WeakPolarHBondContact OD1-CA 3.2Å; D633-N635 WeakPolarHBondContact OD1-CB 3.28Å; D633-N635 PolarHBondContact OD1-N 3.17Å; D633-N635 PolarHBondContact OD2-ND2 3.45Å; N635-K637 HydrophobicContact CB-CG 4.47Å; N635-K637 PolarHBondContact O-N 3.38Å; N635-R645 PolarHBondContact O-NH1 3.19Å; N635-Y674 HydrophobicContact CB-CD2 4.35Å
636L94.3Very high86.8Confident0 Ų045.9 Ų45.90%025%0.251CS..SBendtrans65.120.1179.8-57176.1000114.3F190 M621 V632 D633 K634 R645 V646 V651 I667 L671 Y674F190-L636 HydrophobicContact CE1-CD1 4.43Å; F190-L636 HydrophobicContact CE1-CD2 4.49Å; F190-L636 HydrophobicContact CZ-CD1 4.5Å; F190-L636 HydrophobicContact CZ-CD2 4.09Å; M621-L636 HydrophobicContact SD-CD2 3.84Å; V632-L636 HydrophobicContact CG2-CD2 4.16Å; D633-L636 WeakPolarHBondContact O-CA 3.28Å; D633-L636 PolarHBondContact O-N 3.04Å; D633-L636 PolarHBondContact OD1-N 2.81Å; K634-L636 VanDerWaalsContact C-N 3.34Å; L636-R645 CarbonylContact O-C 3.56Å; L636-R645 WeakPolarHBondContact O-CA 3.29Å; L636-R645 WeakPolarHBondContact O-CB 3.39Å; L636-V646 WeakPolarHBondContact CB-O 3.41Å; L636-V646 PolarHBondContact O-N 3.22Å; L636-V651 HydrophobicContact CD2-CB 4.11Å; L636-V651 HydrophobicContact CD2-CG1 4.28Å; L636-V651 HydrophobicContact CD2-CG2 3.87Å; L636-I667 HydrophobicContact CD1-CG2 4.12Å; L636-L671 HydrophobicContact CB-CD1 4.18Å; L636-L671 HydrophobicContact CD1-CB 3.73Å; L636-L671 HydrophobicContact CD1-CD1 4.21Å; L636-L671 HydrophobicContact CD1-CG 4.4Å; L636-Y674 HydrophobicContact CG-CE2 4.4Å
637K94.5Very high88.7Confident58 Ų5839.6 Ų39.625%0.25222%0.223SC..BIsolated β-bridgetrans-83.7140.2173.2-65.6174.3178.6170.50110.1V632 D633 N635 I639 R645 E678V632-K637 CarbonylContact C-O 3.39Å; V632-K637 WeakPolarHBondContact CA-O 3.45Å; V632-K637 WeakPolarHBondContact CB-O 3.2Å; D633-K637 PolarHBondContact N-O 3.23Å; D633-K637 WeakPolarHBondContact OD1-CB 3.31Å; D633-K637 PolarHBondContact OD1-N 2.89Å; N635-K637 HydrophobicContact CB-CG 4.47Å; N635-K637 PolarHBondContact O-N 3.38Å; K637-I639 PolarHBondContact O-N 2.87Å; K637-R645 VanDerWaalsContact CE-NH1 3.31Å; K637-R645 HydrophobicContact CG-CG 3.91Å; K637-E678 VanDerWaalsContact CE-OE1 3.26Å; K637-E678 WeakPolarHBondContact CE-OE1 3.16Å; K637-E678 VanDerWaalsContact CE-OE2 3.28Å; K637-E678 WeakPolarHBondContact CE-OE2 3.46Å; K637-E678 IonicContact NZ-OE1 2.65Å; K637-E678 PolarHBondContact NZ-OE1 2.76Å; K637-E678 IonicContact NZ-OE2 2.88Å; K637-E678 PolarHBondContact NZ-OE2 2.99Å
638I94.3Very high90.8Very high3 Ų334.2 Ų34.22%0.01520%0.195CC..BIsolated β-bridgetrans-65.9128.7172.8-60.8-178.3000109.1L350 V355 L373 V632 G640 V641 V644 V646L350-I638 HydrophobicContact CD1-CD1 3.96Å; L350-I638 HydrophobicContact CD2-CD1 3.41Å; L350-I638 VanDerWaalsContact CD2-CD1 3.41Å; L350-I638 HydrophobicContact CG-CD1 4.34Å; V355-I638 HydrophobicContact CG1-CG2 4.19Å; L373-I638 HydrophobicContact CD1-CG2 3.69Å; V632-I638 HydrophobicContact CG1-CG1 4.18Å; I638-G640 PolarHBondContact O-N 2.81Å; I638-V641 HydrophobicContact CB-CB 4.03Å; I638-V641 HydrophobicContact CB-CG2 4.48Å; I638-V641 HydrophobicContact CG2-CB 3.9Å; I638-V641 HydrophobicContact CG2-CG2 3.78Å; I638-V641 PolarHBondContact O-N 3.17Å; I638-V641 VanDerWaalsContact O-N 3.1Å; I638-V641 VanDerWaalsContact O-O 3.08Å; I638-V644 HydrophobicContact CD1-CB 4.04Å; I638-V644 HydrophobicContact CD1-CG1 3.48Å; I638-V644 VanDerWaalsContact CD1-CG1 3.48Å; I638-V644 HydrophobicContact CG1-CB 4.47Å; I638-V644 HydrophobicContact CG1-CG1 4.22Å; I638-V644 PolarHBondContact N-O 2.88Å; I638-V646 HydrophobicContact CD1-CG2 4.06Å; I638-V646 HydrophobicContact CG1-CG2 3.97Å
639I91.4Very high92.7Very high56 Ų5627.1 Ų27.129%0.28716%0.158SC..THydrogen-bonded Turntrans-65128.1-175.9-63.8169.9000109.8L373 A630 V631 D633 K637 V641L373-I639 HydrophobicContact CD2-CB 4.15Å; L373-I639 HydrophobicContact CD2-CG2 4.43Å; A630-I639 HydrophobicContact CB-CD1 3.67Å; V631-I639 PolarHBondContact O-N 2.84Å; D633-I639 HydrophobicContact CB-CG1 4.44Å; K637-I639 PolarHBondContact O-N 2.87Å; I639-V641 VanDerWaalsContact C-N 3.25Å; I639-V641 PolarHBondContact O-N 3.14Å
640G88.5Confident93.7Very high56 Ų5624.6 Ų24.658%0.57714%0.141SC*.THydrogen-bonded Turntrans75.48.2-178.100000114.8I638I638-G640 PolarHBondContact O-N 2.81Å
641V91Very high94Very high9 Ų924.3 Ų24.36%0.05514%0.138CC..EExtended strand (participates in β ladder)trans-129.3124.8179.5-177.70000110.6F295 L303 T371 I638 I639 V644F295-V641 HydrophobicContact CD1-CG1 4.12Å; F295-V641 HydrophobicContact CE1-CG1 3.38Å; F295-V641 HydrophobicContact CZ-CG1 4.05Å; L303-V641 HydrophobicContact CB-CG2 4.24Å; L303-V641 HydrophobicContact CD2-CG1 4.4Å; L303-V641 HydrophobicContact CD2-CG2 3.93Å; L303-V641 CarbonylContact O-C 3.55Å; L303-V641 WeakPolarHBondContact O-CA 3.38Å; T371-V641 HydrophobicContact CG2-CG2 4.49Å; I638-V641 HydrophobicContact CB-CB 4.03Å; I638-V641 HydrophobicContact CB-CG2 4.48Å; I638-V641 HydrophobicContact CG2-CB 3.9Å; I638-V641 HydrophobicContact CG2-CG2 3.78Å; I638-V641 PolarHBondContact O-N 3.17Å; I638-V641 VanDerWaalsContact O-N 3.1Å; I638-V641 VanDerWaalsContact O-O 3.08Å; I639-V641 VanDerWaalsContact C-N 3.25Å; I639-V641 PolarHBondContact O-N 3.14Å; V641-V644 HydrophobicContact CG1-CB 4.29Å; V641-V644 HydrophobicContact CG1-CG2 3.93Å
642S91.8Very high94Very high50 Ų5024.3 Ų24.335%0.3514%0.138SC..EExtended strand (participates in β ladder)trans-87.5148.7175.2-710000112.1L303 A305 V644L303-S642 PolarHBondContact O-N 3.09Å; A305-S642 PolarHBondContact N-O 3.02Å; S642-V644 VanDerWaalsContact C-N 3.27Å; S642-V644 PolarHBondContact O-N 2.84Å
643N93.9Very high93.8Very high30 Ų3024.5 Ų24.516%0.1614%0.139CC..SBendtrans66.922.1174.2-57.139.3000114.5A305 L321 K334 P335 I337A305-N643 HydrophobicContact CB-CB 4.49Å; L321-N643 HydrophobicContact CD1-CB 4.3Å; K334-N643 WeakPolarHBondContact CE-OD1 3.38Å; P335-N643 WeakPolarHBondContact O-CB 3.49Å; P335-N643 PolarHBondContact O-ND2 2.74Å; I337-N643 PolarHBondContact N-O 2.63Å
644V96.7Very high93.9Very high2 Ų224.7 Ų24.71%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-132.7133.4171.6-169.10000110.6I293 F295 A305 I337 I638 V641 S642I293-V644 HydrophobicContact CD1-CG1 3.72Å; I293-V644 HydrophobicContact CD1-CG2 4.26Å; I293-V644 HydrophobicContact CG2-CG2 4.22Å; F295-V644 HydrophobicContact CE1-CG2 4.09Å; A305-V644 HydrophobicContact CB-CG2 3.26Å; I337-V644 VanDerWaalsContact O-CA 3.31Å; I337-V644 WeakPolarHBondContact O-CA 3.43Å; I638-V644 HydrophobicContact CD1-CB 4.04Å; I638-V644 HydrophobicContact CD1-CG1 3.48Å; I638-V644 VanDerWaalsContact CD1-CG1 3.48Å; I638-V644 HydrophobicContact CG1-CB 4.47Å; I638-V644 HydrophobicContact CG1-CG1 4.22Å; I638-V644 PolarHBondContact N-O 2.88Å; V641-V644 HydrophobicContact CG1-CB 4.29Å; V641-V644 HydrophobicContact CG1-CG2 3.93Å; S642-V644 VanDerWaalsContact C-N 3.27Å; S642-V644 PolarHBondContact O-N 2.84Å
645R97.9Very high94.1Very high0 Ų017.6 Ų17.60%011%0.108CC..EExtended strand (participates in β ladder)trans-131.2160169.3-60.3-165.7-158.8-131.81112E336 I337 L338 L339 N635 L636 K637 L671 E678E336-R645 IonicContact OE1-CZ 3.91Å; E336-R645 IonicContact OE1-NE 2.97Å; E336-R645 IonicContact OE1-NH2 3.96Å; E336-R645 PolarHBondContact OE1-NH2 3.01Å; E336-R645 VanDerWaalsContact OE1-NH2 3.11Å; E336-R645 WeakPolarHBondContact OE2-CD 3.43Å; E336-R645 WeakPolarHBondContact OE2-CG 3.42Å; E336-R645 IonicContact OE2-CZ 3.06Å; E336-R645 IonicContact OE2-NE 2.77Å; E336-R645 PolarHBondContact OE2-NE 3.03Å; E336-R645 IonicContact OE2-NH2 2.73Å; I337-R645 PolarHBondContact O-N 2.85Å; L338-R645 HydrophobicContact CD2-CB 4Å; L338-R645 HydrophobicContact CD2-CG 4.41Å; L339-R645 PolarHBondContact N-O 2.82Å; N635-R645 PolarHBondContact O-NH1 3.19Å; L636-R645 CarbonylContact O-C 3.56Å; L636-R645 WeakPolarHBondContact O-CA 3.29Å; L636-R645 WeakPolarHBondContact O-CB 3.39Å; K637-R645 VanDerWaalsContact CE-NH1 3.31Å; K637-R645 HydrophobicContact CG-CG 3.91Å; R645-L671 HydrophobicContact CB-CD1 3.73Å; R645-E678 IonicContact CZ-OE1 3.25Å; R645-E678 IonicContact CZ-OE2 2.84Å; R645-E678 IonicContact NH1-OE1 2.77Å; R645-E678 PolarHBondContact NH1-OE1 3.09Å; R645-E678 IonicContact NH1-OE2 2.98Å; R645-E678 IonicContact NH2-OE1 3.32Å; R645-E678 PolarHBondContact NH2-OE1 3.36Å; R645-E678 IonicContact NH2-OE2 3.09Å; R645-E678 PolarHBondContact NH2-OE2 3.1Å
646V98.2Very high94.3Very high0 Ų015.6 Ų15.60%010%0.097CC..EExtended strand (participates in β ladder)trans-121.7125.8176.2-174.30000109.5L339 T346 V632 L636 I638 S650 V651L339-V646 HydrophobicContact CB-CG2 4.32Å; L339-V646 HydrophobicContact CD1-CG2 4.37Å; L339-V646 CarbonylContact O-C 3.45Å; L339-V646 WeakPolarHBondContact O-CA 3.12Å; T346-V646 HydrophobicContact CG2-CG1 3.58Å; T346-V646 HydrophobicContact CG2-CG2 4.21Å; V632-V646 HydrophobicContact CG1-CB 4.1Å; V632-V646 HydrophobicContact CG1-CG2 4.01Å; L636-V646 WeakPolarHBondContact CB-O 3.41Å; L636-V646 PolarHBondContact O-N 3.22Å; I638-V646 HydrophobicContact CD1-CG2 4.06Å; I638-V646 HydrophobicContact CG1-CG2 3.97Å; V646-S650 WeakPolarHBondContact CG1-OG 3.28Å; V646-V651 HydrophobicContact CB-CG1 3.81Å; V646-V651 HydrophobicContact CG1-CG1 3.55Å; V646-V651 WeakPolarHBondContact O-CG1 3.42Å
647G97.1Very high94.4Very high0 Ų015.6 Ų15.60%010%0.097CC..  trans-135.268.6-18000000111.6A48 L339A48-G647 WeakPolarHBondContact CB-O 3.37Å; L339-G647 PolarHBondContact O-N 2.97Å
648D97.5Very high94.4Very high3 Ų312.9 Ų12.92%0.0169%0.085CC..SBendtrans-150.9-170.117462.441000111.3S340 V341 G342 T346 S650 V651S340-D648 VanDerWaalsContact CA-OD2 3.29Å; S340-D648 WeakPolarHBondContact CA-OD2 3.33Å; V341-D648 PolarHBondContact N-OD2 2.8Å; V341-D648 VanDerWaalsContact N-OD2 3.1Å; G342-D648 WeakPolarHBondContact CA-OD2 3.42Å; G342-D648 PolarHBondContact N-OD2 3.34Å; T346-D648 PolarHBondContact OG1-OD2 3.12Å; D648-S650 PolarHBondContact O-N 3.48Å; D648-S650 VanDerWaalsContact O-N 3.11Å; D648-S650 WeakPolarHBondContact OD1-CB 3.25Å; D648-S650 PolarHBondContact OD1-N 2.72Å; D648-S650 PolarHBondContact OD1-OG 3.05Å; D648-V651 WeakPolarHBondContact O-CG2 3.45Å; D648-V651 PolarHBondContact O-N 3.25Å
649A96.9Very high94.4Very high9 Ų913.5 Ų13.57%0.0749%0.088CC..G310 helixtrans-55.9-23.7-179.900000115T343 V616 G617 V651 I652 I664T343-A649 WeakPolarHBondContact OG1-CB 3.02Å; V616-A649 WeakPolarHBondContact CA-O 3.34Å; V616-A649 VanDerWaalsContact CB-O 3.31Å; V616-A649 WeakPolarHBondContact CB-O 3.49Å; V616-A649 HydrophobicContact CG1-CB 4.18Å; G617-A649 PolarHBondContact N-O 2.97Å; A649-V651 PolarHBondContact O-N 3.39Å; A649-I652 PolarHBondContact O-N 2.89Å; A649-I664 HydrophobicContact CB-CD1 3.7Å; A649-I664 HydrophobicContact CB-CG1 3.84Å
650S97.1Very high94.6Very high0 Ų011 Ų110%08%0.076CC..G310 helixtrans-64.9-24-178.865.30000113.1G617 T618 C619 S620 V646 D648G617-S650 CarbonylContact C-O 3.56Å; G617-S650 WeakPolarHBondContact CA-O 3.48Å; G617-S650 PolarHBondContact N-O 3.39Å; T618-S650 PolarHBondContact N-O 3.41Å; T618-S650 WeakPolarHBondContact OG1-CB 3.49Å; C619-S650 CarbonylContact C-O 3.55Å; C619-S650 WeakPolarHBondContact CA-O 3.48Å; C619-S650 WeakPolarHBondContact CB-OG 3.04Å; C619-S650 PolarHBondContact N-O 2.73Å; S620-S650 PolarHBondContact N-O 3.43Å; V646-S650 WeakPolarHBondContact CG1-OG 3.28Å; D648-S650 PolarHBondContact O-N 3.48Å; D648-S650 VanDerWaalsContact O-N 3.11Å; D648-S650 WeakPolarHBondContact OD1-CB 3.25Å; D648-S650 PolarHBondContact OD1-N 2.72Å; D648-S650 PolarHBondContact OD1-OG 3.05Å
651V95.6Very high94.9Very high0 Ų09.1 Ų9.10%06%0.055CC..G310 helixtrans-82-13.7-176-48.30000114.1C619 M621 V632 L636 V646 D648 A649 S653 I667C619-V651 WeakPolarHBondContact O-CA 3.3Å; M621-V651 WeakPolarHBondContact CB-O 3.13Å; M621-V651 PolarHBondContact N-O 2.6Å; V632-V651 HydrophobicContact CG2-CB 4.09Å; V632-V651 HydrophobicContact CG2-CG1 4.04Å; L636-V651 HydrophobicContact CD2-CB 4.11Å; L636-V651 HydrophobicContact CD2-CG1 4.28Å; L636-V651 HydrophobicContact CD2-CG2 3.87Å; V646-V651 HydrophobicContact CB-CG1 3.81Å; V646-V651 HydrophobicContact CG1-CG1 3.55Å; V646-V651 WeakPolarHBondContact O-CG1 3.42Å; D648-V651 WeakPolarHBondContact O-CG2 3.45Å; D648-V651 PolarHBondContact O-N 3.25Å; A649-V651 PolarHBondContact O-N 3.39Å; V651-S653 PolarHBondContact O-N 3.43Å; V651-S653 VanDerWaalsContact O-N 3.11Å; V651-I667 HydrophobicContact CG2-CD1 4.04Å; V651-I667 HydrophobicContact CG2-CG2 3.86Å
652I93.6Very high95.1Very high0 Ų08.8 Ų8.80%05%0.053CC..  trans-70.5105.9-177.1-63.7169.1000109.3L186 V616 G617 A649 K654 I664 I667L186-I652 HydrophobicContact CD1-CB 4.21Å; L186-I652 HydrophobicContact CD1-CG1 3.93Å; L186-I652 HydrophobicContact CD1-CG2 4.12Å; L186-I652 HydrophobicContact CD2-CD1 4.32Å; L186-I652 HydrophobicContact CD2-CG1 4.05Å; L186-I652 HydrophobicContact CD2-CG2 4.2Å; V616-I652 HydrophobicContact CB-CB 3.96Å; V616-I652 HydrophobicContact CB-CD1 4.42Å; V616-I652 HydrophobicContact CB-CG2 4.16Å; V616-I652 HydrophobicContact CG1-CB 4.29Å; V616-I652 HydrophobicContact CG1-CD1 3.81Å; V616-I652 HydrophobicContact CG1-CG2 4.4Å; V616-I652 HydrophobicContact CG2-CB 4.3Å; V616-I652 HydrophobicContact CG2-CG2 3.98Å; G617-I652 WeakPolarHBondContact CA-O 3.12Å; G617-I652 PolarHBondContact N-O 3.02Å; A649-I652 PolarHBondContact O-N 2.89Å; I652-K654 VanDerWaalsContact C-N 3.34Å; I652-K654 WeakPolarHBondContact CG2-O 3.07Å; I652-K654 PolarHBondContact O-N 3.47Å; I652-I664 HydrophobicContact CD1-CG1 4.06Å; I652-I667 HydrophobicContact CD1-CD1 3.76Å; I652-I667 HydrophobicContact CG1-CD1 3.41Å; I652-I667 VanDerWaalsContact CG1-CD1 3.41Å
653S90.7Very high95.2Very high4 Ų46.4 Ų6.43%0.0284%0.036CC..SBendtrans-63.9-36-175.364.10000113.4E189 N378 H380 V651E189-S653 WeakPolarHBondContact OE1-CB 3.18Å; E189-S653 PolarHBondContact OE1-OG 3.2Å; N378-S653 PolarHBondContact ND2-O 2.68Å; H380-S653 PolarHBondContact NE2-O 3.11Å; H380-S653 VanDerWaalsContact NE2-O 3.1Å; V651-S653 PolarHBondContact O-N 3.43Å; V651-S653 VanDerWaalsContact O-N 3.11Å
654K91.5Very high95.2Very high45 Ų456.1 Ų6.120%0.1964%0.035CC..SBendtrans-136129.2174.8-171.7171.6179.1174.30109.5E185 R442 I652E185-K654 VanDerWaalsContact CD-CD 3.42Å; E185-K654 HydrophobicContact CG-CD 4.23Å; E185-K654 WeakPolarHBondContact OE1-CD 3.37Å; E185-K654 WeakPolarHBondContact OE1-CE 3.13Å; E185-K654 IonicContact OE1-NZ 3.11Å; E185-K654 PolarHBondContact OE1-NZ 3.22Å; R442-K654 VanDerWaalsContact NH2-NZ 3.1Å; I652-K654 VanDerWaalsContact C-N 3.34Å; I652-K654 WeakPolarHBondContact CG2-O 3.07Å; I652-K654 PolarHBondContact O-N 3.47Å
655I93.8Very high95.2Very high2 Ų26.1 Ų6.11%0.014%0.035CC..  trans-58.2134.3-179.5-162.3168.5000110.5H380 H382 H614 V616H380-I655 HydrophobicContact CB-CB 3.88Å; H380-I655 HydrophobicContact CB-CD1 4.38Å; H380-I655 HydrophobicContact CB-CG2 4.16Å; H382-I655 VanDerWaalsContact CE1-CD1 3.47Å; H382-I655 WeakPolarHBondContact CE1-CD1 3.47Å; H382-I655 WeakPolarHBondContact NE2-CD1 3.26Å; H614-I655 HydrophobicContact CB-CD1 4.02Å; H614-I655 VanDerWaalsContact O-CD1 3.23Å; H614-I655 WeakPolarHBondContact O-CD1 3.39Å; V616-I655 HydrophobicContact CG2-CB 3.65Å; V616-I655 HydrophobicContact CG2-CD1 4.13Å; V616-I655 HydrophobicContact CG2-CG1 3.76Å
656P94.1Very high95Very high1 Ų16.1 Ų6.11%0.0064%0.035CC..  trans-72.8156.6-179.430-37.5000111.7D184 H382 G658 P660 L663D184-P656 WeakPolarHBondContact OD2-CA 3.45Å; H382-P656 PolarHBondContact CE1-O 3.37Å; H382-P656 PolarHBondContact NE2-O 2.89Å; P656-G658 VanDerWaalsContact C-N 3.29Å; P656-G658 PolarHBondContact O-N 3.41Å; P656-P660 HydrophobicContact CG-CB 3.91Å; P656-L663 HydrophobicContact CB-CD1 3.33Å; P656-L663 HydrophobicContact CG-CD1 3.46Å; P656-L663 VanDerWaalsContact CG-CD1 3.46Å
657T95.7Very high94.8Very high0 Ų06.1 Ų6.10%04%0.035CC..SBendtrans-73.280176.9-57.20000110.7G180 H181 D184 S247 R442 P443 L494G180-T657 CarbonylContact C-O 3.53Å; G180-T657 VanDerWaalsContact CA-O 3.24Å; G180-T657 WeakPolarHBondContact CA-O 3.44Å; H181-T657 HydrophobicContact CB-CG2 4.02Å; D184-T657 VanDerWaalsContact CG-N 3.32Å; D184-T657 WeakPolarHBondContact OD1-CB 3.09Å; D184-T657 PolarHBondContact OD1-N 2.8Å; D184-T657 PolarHBondContact OD1-OG1 3.25Å; D184-T657 PolarHBondContact OD2-N 3.46Å; S247-T657 WeakPolarHBondContact CB-O 3.31Å; S247-T657 PolarHBondContact OG-O 2.88Å; R442-T657 HydrophobicContact CB-CG2 4.31Å; R442-T657 WeakPolarHBondContact CD-OG1 3.35Å; P443-T657 HydrophobicContact CG-CG2 3.64Å; P443-T657 WeakPolarHBondContact O-CG2 3.23Å; L494-T657 HydrophobicContact CB-CG2 4.43Å; L494-T657 HydrophobicContact CD1-CG2 3.66Å
658G94.4Very high94.8Very high0 Ų06.1 Ų6.10%04%0.035CC..SBendtrans138.2-168.8179.700000113H382 P656H382-G658 PolarHBondContact CE1-O 3.19Å; P656-G658 VanDerWaalsContact C-N 3.29Å; P656-G658 PolarHBondContact O-N 3.41Å
659N95.1Very high94.6Very high16 Ų166 Ų69%0.0863%0.034CC..  trans-70.7126.5-179.4-64.569.3000111.2I176 Q446 H614 A661I176-N659 HydrophobicContact CB-CB 4.31Å; I176-N659 HydrophobicContact CG2-CB 4.09Å; I176-N659 WeakPolarHBondContact CG2-OD1 3.37Å; Q446-N659 PolarHBondContact NE2-OD1 2.78Å; H614-N659 PolarHBondContact CE1-ND2 3.46Å; H614-N659 PolarHBondContact NE2-ND2 3.34Å; N659-A661 VanDerWaalsContact C-N 3.34Å; N659-A661 PolarHBondContact O-N 3.18Å
660P95.5Very high94.5Very high5 Ų55.8 Ų5.83%0.0323%0.031CC..THydrogen-bonded Turntrans-83.1-2.3-168.533.7-37.7000114.8H614 P656 S662 L663 I664H614-P660 HydrophobicContact CB-CG 3.92Å; H614-P660 WeakPolarHBondContact CD2-CD 3.41Å; H614-P660 VanDerWaalsContact CG-CD 3.47Å; P656-P660 HydrophobicContact CG-CB 3.91Å; P660-S662 VanDerWaalsContact C-N 3.35Å; P660-S662 PolarHBondContact O-N 3.42Å; P660-L663 PolarHBondContact O-N 2.86Å; P660-I664 HydrophobicContact CB-CD1 4.06Å; P660-I664 HydrophobicContact CB-CG1 4.44Å; P660-I664 HydrophobicContact CG-CD1 4.13Å; P660-I664 VanDerWaalsContact O-CG1 3.31Å; P660-I664 WeakPolarHBondContact O-CG1 3.28Å; P660-I664 PolarHBondContact O-N 2.9Å
661A95Very high94.4Very high16 Ų165.8 Ų5.813%0.1323%0.031CC..Hα-helixtrans-57.4-43.6-168.300000113.6F257 N659 I664 M665F257-A661 HydrophobicContact CE2-CB 4.45Å; N659-A661 VanDerWaalsContact C-N 3.34Å; N659-A661 PolarHBondContact O-N 3.18Å; A661-I664 PolarHBondContact O-N 2.7Å; A661-M665 VanDerWaalsContact O-CG 3.28Å; A661-M665 WeakPolarHBondContact O-CG 3.41Å; A661-M665 PolarHBondContact O-N 2.96Å; A661-M665 VanDerWaalsContact O-N 3.08Å
662S94.3Very high94.3Very high1 Ų15.8 Ų5.81%0.0073%0.031CC..Hα-helixtrans-62.7-40.8175.652.30000112.7S178 P660 M665 A666S178-S662 WeakPolarHBondContact O-CB 3.46Å; S178-S662 PolarHBondContact O-OG 3.15Å; P660-S662 VanDerWaalsContact C-N 3.35Å; P660-S662 PolarHBondContact O-N 3.42Å; S662-M665 WeakPolarHBondContact O-CB 3.5Å; S662-M665 PolarHBondContact O-N 3.45Å; S662-A666 PolarHBondContact O-N 3.01Å
663L93.9Very high94.3Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-71.7-37.4-179.8-69166.1000110.8L186 L187 F197 L198 P656 P660 M665 A666 I667L186-L663 HydrophobicContact CD2-CB 3.99Å; L186-L663 HydrophobicContact CD2-CD1 4Å; L186-L663 HydrophobicContact CD2-CD2 4.24Å; L186-L663 HydrophobicContact CD2-CG 4.3Å; L187-L663 HydrophobicContact CD2-CD2 3.77Å; F197-L663 HydrophobicContact CE1-CD2 4.1Å; L198-L663 HydrophobicContact CD2-CD2 3.82Å; P656-L663 HydrophobicContact CB-CD1 3.33Å; P656-L663 HydrophobicContact CG-CD1 3.46Å; P656-L663 VanDerWaalsContact CG-CD1 3.46Å; P660-L663 PolarHBondContact O-N 2.86Å; L663-M665 VanDerWaalsContact C-N 3.3Å; L663-M665 PolarHBondContact O-N 3.05Å; L663-A666 PolarHBondContact O-N 3.17Å; L663-A666 VanDerWaalsContact O-N 3.14Å; L663-I667 VanDerWaalsContact O-CG1 3.27Å; L663-I667 WeakPolarHBondContact O-CG1 3.49Å; L663-I667 PolarHBondContact O-N 2.83Å
664I95.7Very high94.4Very high25 Ų259.3 Ų9.313%0.1285%0.046CC..Hα-helixtrans-60.5-42.2170.9-64.8161.3000110.6T47 A48 A649 I652 P660 A661 I667 G668T47-I664 HydrophobicContact CG2-CG2 4.17Å; A48-I664 HydrophobicContact CB-CG2 4Å; A649-I664 HydrophobicContact CB-CD1 3.7Å; A649-I664 HydrophobicContact CB-CG1 3.84Å; I652-I664 HydrophobicContact CD1-CG1 4.06Å; P660-I664 HydrophobicContact CB-CD1 4.06Å; P660-I664 HydrophobicContact CB-CG1 4.44Å; P660-I664 HydrophobicContact CG-CD1 4.13Å; P660-I664 VanDerWaalsContact O-CG1 3.31Å; P660-I664 WeakPolarHBondContact O-CG1 3.28Å; P660-I664 PolarHBondContact O-N 2.9Å; A661-I664 PolarHBondContact O-N 2.7Å; I664-I667 PolarHBondContact O-N 3.14Å; I664-G668 PolarHBondContact O-N 2.94Å
665M96Very high94.6Very high2 Ų27.2 Ų7.21%0.014%0.036CC..Hα-helixtrans-61.7-44173.6-69.9176.5-164.900111.6T47 I51 L201 F202 L210 F257 A661 S662 L663 G668 N669T47-M665 HydrophobicContact CG2-CE 3.82Å; T47-M665 HydrophobicContact CG2-CG 3.48Å; T47-M665 VanDerWaalsContact CG2-CG 3.48Å; I51-M665 VanDerWaalsContact CD1-CA 3.48Å; I51-M665 HydrophobicContact CD1-CB 3.27Å; I51-M665 HydrophobicContact CD1-CG 3.53Å; I51-M665 WeakPolarHBondContact CD1-O 3.49Å; I51-M665 HydrophobicContact CD1-SD 4.43Å; L201-M665 VanDerWaalsContact CD2-C 3.46Å; L201-M665 HydrophobicContact CD2-CB 3.61Å; F202-M665 HydrophobicContact CE1-SD 4.5Å; L210-M665 HydrophobicContact CD1-SD 4Å; L210-M665 HydrophobicContact CD2-SD 4.45Å; F257-M665 HydrophobicContact CD2-CE 4.44Å; F257-M665 HydrophobicContact CE1-CE 4.47Å; F257-M665 HydrophobicContact CE1-SD 4.18Å; F257-M665 HydrophobicContact CE2-CE 3.96Å; F257-M665 HydrophobicContact CE2-SD 4.37Å; F257-M665 HydrophobicContact CZ-CE 3.94Å; F257-M665 HydrophobicContact CZ-SD 3.77Å; A661-M665 VanDerWaalsContact O-CG 3.28Å; A661-M665 WeakPolarHBondContact O-CG 3.41Å; A661-M665 PolarHBondContact O-N 2.96Å; A661-M665 VanDerWaalsContact O-N 3.08Å; S662-M665 WeakPolarHBondContact O-CB 3.5Å; S662-M665 PolarHBondContact O-N 3.45Å; L663-M665 VanDerWaalsContact C-N 3.3Å; L663-M665 PolarHBondContact O-N 3.05Å; M665-G668 PolarHBondContact O-N 3.44Å; M665-N669 PolarHBondContact O-N 3.11Å; M665-N669 VanDerWaalsContact O-N 3.1Å
666A94.1Very high94.5Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-64.6-39179.300000112.4F197 L198 L201 S662 L663 G668 N669 Q670F197-A666 HydrophobicContact CD1-CB 4.42Å; F197-A666 HydrophobicContact CD2-CB 4.33Å; F197-A666 HydrophobicContact CE1-CB 3.79Å; F197-A666 HydrophobicContact CE2-CB 3.69Å; F197-A666 WeakPolarHBondContact CE2-O 3.43Å; F197-A666 HydrophobicContact CZ-CB 3.39Å; L198-A666 HydrophobicContact CD2-CB 4.36Å; L201-A666 HydrophobicContact CD2-CB 4.05Å; S662-A666 PolarHBondContact O-N 3.01Å; L663-A666 PolarHBondContact O-N 3.17Å; L663-A666 VanDerWaalsContact O-N 3.14Å; A666-G668 VanDerWaalsContact C-N 3.34Å; A666-G668 PolarHBondContact O-N 3.28Å; A666-N669 WeakPolarHBondContact O-CB 3.18Å; A666-N669 PolarHBondContact O-N 2.87Å; A666-Q670 WeakPolarHBondContact O-CB 3.44Å; A666-Q670 PolarHBondContact O-N 3.09Å
667I94.3Very high94.3Very high0 Ų013.2 Ų13.20%07%0.065CC..Hα-helixtrans-58.5-45.3172.5-71.5163.6000110.8L186 F190 F197 L636 V651 I652 L663 I664 N669 Q670 L671L186-I667 HydrophobicContact CD1-CD1 4.49Å; F190-I667 HydrophobicContact CE2-CD1 4.38Å; F190-I667 HydrophobicContact CE2-CG1 3.89Å; F190-I667 HydrophobicContact CZ-CG1 4Å; F197-I667 HydrophobicContact CZ-CG1 4.35Å; L636-I667 HydrophobicContact CD1-CG2 4.12Å; V651-I667 HydrophobicContact CG2-CD1 4.04Å; V651-I667 HydrophobicContact CG2-CG2 3.86Å; I652-I667 HydrophobicContact CD1-CD1 3.76Å; I652-I667 HydrophobicContact CG1-CD1 3.41Å; I652-I667 VanDerWaalsContact CG1-CD1 3.41Å; L663-I667 VanDerWaalsContact O-CG1 3.27Å; L663-I667 WeakPolarHBondContact O-CG1 3.49Å; L663-I667 PolarHBondContact O-N 2.83Å; I664-I667 PolarHBondContact O-N 3.14Å; I667-N669 VanDerWaalsContact C-N 3.34Å; I667-N669 PolarHBondContact O-N 3.48Å; I667-Q670 PolarHBondContact O-N 3.22Å; I667-L671 WeakPolarHBondContact O-CB 3.34Å; I667-L671 PolarHBondContact O-N 2.85Å
668G95.6Very high94.1Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-59.8-42.1175.500000112.9I52 I664 M665 A666 A672I52-G668 VanDerWaalsContact CG1-O 3.31Å; I52-G668 WeakPolarHBondContact CG1-O 3.22Å; I664-G668 PolarHBondContact O-N 2.94Å; M665-G668 PolarHBondContact O-N 3.44Å; A666-G668 VanDerWaalsContact C-N 3.34Å; A666-G668 PolarHBondContact O-N 3.28Å; G668-A672 PolarHBondContact O-N 3.11Å
669N94.7Very high93.9Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-63.8-43.9174.9178.258000111.6I51 K55 L201 M665 A666 I667 A672 K673I51-N669 HydrophobicContact CG2-CB 3.79Å; K55-N669 VanDerWaalsContact CD-OD1 3.27Å; K55-N669 WeakPolarHBondContact CD-OD1 3.25Å; K55-N669 WeakPolarHBondContact CE-OD1 3.47Å; K55-N669 PolarHBondContact NZ-OD1 3.43Å; K55-N669 VanDerWaalsContact NZ-OD1 3.15Å; L201-N669 HydrophobicContact CD1-CB 4.19Å; M665-N669 PolarHBondContact O-N 3.11Å; M665-N669 VanDerWaalsContact O-N 3.1Å; A666-N669 WeakPolarHBondContact O-CB 3.18Å; A666-N669 PolarHBondContact O-N 2.87Å; I667-N669 VanDerWaalsContact C-N 3.34Å; I667-N669 PolarHBondContact O-N 3.48Å; N669-A672 PolarHBondContact O-N 2.82Å; N669-K673 WeakPolarHBondContact O-CG 3.45Å; N669-K673 PolarHBondContact O-N 2.73Å
670Q93Very high93.5Very high4 Ų419.3 Ų19.32%0.0199%0.088CC..Hα-helixtrans-67.6-41-178.7-171.2716.900112.4F190 N194 F197 A666 I667 A672 K673 Y674F190-Q670 HydrophobicContact CD1-CG 3.83Å; F190-Q670 HydrophobicContact CE1-CB 4.48Å; F190-Q670 HydrophobicContact CE1-CG 3.97Å; N194-Q670 PolarHBondContact ND2-OE1 3.33Å; F197-Q670 HydrophobicContact CD2-CB 4.13Å; F197-Q670 HydrophobicContact CD2-CG 4.35Å; F197-Q670 HydrophobicContact CE2-CB 3.81Å; F197-Q670 HydrophobicContact CE2-CG 4.28Å; A666-Q670 WeakPolarHBondContact O-CB 3.44Å; A666-Q670 PolarHBondContact O-N 3.09Å; I667-Q670 PolarHBondContact O-N 3.22Å; Q670-A672 VanDerWaalsContact C-N 3.32Å; Q670-A672 PolarHBondContact O-N 2.8Å; Q670-K673 WeakPolarHBondContact O-CB 3.22Å; Q670-K673 PolarHBondContact O-N 3.41Å; Q670-K673 VanDerWaalsContact O-N 3.14Å; Q670-Y674 HydrophobicContact CG-CD2 4.29Å; Q670-Y674 HydrophobicContact CG-CE1 4.19Å; Q670-Y674 HydrophobicContact CG-CE2 3.68Å; Q670-Y674 PolarHBondContact NE2-OH 2.73Å; Q670-Y674 PolarHBondContact O-N 3.04Å
671L95.3Very high92.9Very high0 Ų023.4 Ų23.40%011%0.107CC..Hα-helixtrans-55.5-49173.4178.5140.1000111I52 L338 L636 R645 I667 K673 Y674 I675I52-L671 HydrophobicContact CD1-CD2 4Å; I52-L671 HydrophobicContact CG1-CD2 4.01Å; I52-L671 HydrophobicContact CG2-CD2 3.9Å; L338-L671 HydrophobicContact CD1-CD2 4Å; L338-L671 HydrophobicContact CD2-CD2 4.27Å; L636-L671 HydrophobicContact CB-CD1 4.18Å; L636-L671 HydrophobicContact CD1-CB 3.73Å; L636-L671 HydrophobicContact CD1-CD1 4.21Å; L636-L671 HydrophobicContact CD1-CG 4.4Å; R645-L671 HydrophobicContact CB-CD1 3.73Å; I667-L671 WeakPolarHBondContact O-CB 3.34Å; I667-L671 PolarHBondContact O-N 2.85Å; L671-K673 VanDerWaalsContact C-N 3.29Å; L671-K673 PolarHBondContact O-N 2.88Å; L671-Y674 PolarHBondContact O-N 3.45Å; L671-I675 HydrophobicContact CD2-CD1 3.52Å; L671-I675 HydrophobicContact CG-CD1 4.18Å; L671-I675 WeakPolarHBondContact O-CG1 3.44Å; L671-I675 PolarHBondContact O-N 2.89Å; L671-I675 VanDerWaalsContact O-N 3.12Å
672A95.2Very high92.2Very high0 Ų024.9 Ų24.90%011%0.111CC..Hα-helixtrans-62.6-38178.800000111.7K55 L56 G668 N669 Q670 I675 I676K55-A672 HydrophobicContact CB-CB 3.57Å; K55-A672 HydrophobicContact CG-CB 3.57Å; L56-A672 HydrophobicContact CD2-CB 3.98Å; L56-A672 HydrophobicContact CG-CB 4.01Å; G668-A672 PolarHBondContact O-N 3.11Å; N669-A672 PolarHBondContact O-N 2.82Å; Q670-A672 VanDerWaalsContact C-N 3.32Å; Q670-A672 PolarHBondContact O-N 2.8Å; A672-I675 PolarHBondContact O-N 2.97Å; A672-I676 WeakPolarHBondContact O-CB 3.38Å; A672-I676 VanDerWaalsContact O-CD1 3.28Å; A672-I676 WeakPolarHBondContact O-CD1 3.39Å; A672-I676 WeakPolarHBondContact O-CG1 3.37Å; A672-I676 PolarHBondContact O-N 2.62Å
673K92.4Very high91.5Very high51 Ų5125.8 Ų25.822%0.22212%0.116CC..Hα-helixtrans-60.9-45.6173.9-75-177.771.8-179.10112.6N194 E200 N669 Q670 L671 I675 I676 H677N194-K673 PolarHBondContact ND2-NZ 3.13Å; E200-K673 WeakPolarHBondContact OE1-CD 3.18Å; E200-K673 IonicContact OE1-NZ 3.58Å; E200-K673 VanDerWaalsContact OE2-CD 3.23Å; E200-K673 WeakPolarHBondContact OE2-CD 3.12Å; E200-K673 WeakPolarHBondContact OE2-CE 3.27Å; E200-K673 IonicContact OE2-NZ 3.39Å; E200-K673 PolarHBondContact OE2-NZ 3.16Å; N669-K673 WeakPolarHBondContact O-CG 3.45Å; N669-K673 PolarHBondContact O-N 2.73Å; Q670-K673 WeakPolarHBondContact O-CB 3.22Å; Q670-K673 PolarHBondContact O-N 3.41Å; Q670-K673 VanDerWaalsContact O-N 3.14Å; L671-K673 VanDerWaalsContact C-N 3.29Å; L671-K673 PolarHBondContact O-N 2.88Å; K673-I675 VanDerWaalsContact C-N 3.29Å; K673-I675 PolarHBondContact O-N 3.47Å; K673-I676 PolarHBondContact O-N 3.22Å; K673-H677 VanDerWaalsContact O-CB 3.3Å; K673-H677 WeakPolarHBondContact O-CB 3.17Å; K673-H677 PolarHBondContact O-N 2.77Å
674Y93.3Very high90.5Very high28 Ų2827.4 Ų27.411%0.1113%0.127CC..Hα-helixtrans-58.9-44.8177.9-66.5-34.3000111.2S193 K634 N635 L636 Q670 L671 H677 E678S193-Y674 PolarHBondContact OG-OH 3.4Å; S193-Y674 VanDerWaalsContact OG-OH 3.13Å; K634-Y674 VanDerWaalsContact O-CE2 3.27Å; K634-Y674 WeakPolarHBondContact O-CE2 3.35Å; K634-Y674 PolarHBondContact O-OH 3.03Å; N635-Y674 HydrophobicContact CB-CD2 4.35Å; L636-Y674 HydrophobicContact CG-CE2 4.4Å; Q670-Y674 HydrophobicContact CG-CD2 4.29Å; Q670-Y674 HydrophobicContact CG-CE1 4.19Å; Q670-Y674 HydrophobicContact CG-CE2 3.68Å; Q670-Y674 PolarHBondContact NE2-OH 2.73Å; Q670-Y674 PolarHBondContact O-N 3.04Å; L671-Y674 PolarHBondContact O-N 3.45Å; Y674-H677 PolarHBondContact O-N 2.9Å; Y674-E678 WeakPolarHBondContact O-CB 3.42Å; Y674-E678 WeakPolarHBondContact O-CG 3.36Å; Y674-E678 PolarHBondContact O-N 3.23Å
675I95Very high89.4Confident0 Ų032.1 Ų32.10%015%0.152CC..Hα-helixtrans-61.8-47.9177.1-65.7167.6000111.2F40 L56 F60 L338 L671 A672 K673 H677 N679F40-I675 HydrophobicContact CE1-CG2 3.62Å; F40-I675 HydrophobicContact CZ-CG2 3.77Å; L56-I675 HydrophobicContact CD2-CB 4Å; L56-I675 HydrophobicContact CD2-CD1 4.34Å; L56-I675 HydrophobicContact CD2-CG2 3.78Å; F60-I675 HydrophobicContact CE2-CG2 4.45Å; L338-I675 HydrophobicContact CD1-CD1 3.56Å; L338-I675 HydrophobicContact CD2-CD1 3.44Å; L338-I675 VanDerWaalsContact CD2-CD1 3.44Å; L338-I675 HydrophobicContact CG-CD1 4.18Å; L671-I675 HydrophobicContact CD2-CD1 3.52Å; L671-I675 HydrophobicContact CG-CD1 4.18Å; L671-I675 WeakPolarHBondContact O-CG1 3.44Å; L671-I675 PolarHBondContact O-N 2.89Å; L671-I675 VanDerWaalsContact O-N 3.12Å; A672-I675 PolarHBondContact O-N 2.97Å; K673-I675 VanDerWaalsContact C-N 3.29Å; K673-I675 PolarHBondContact O-N 3.47Å; I675-H677 PolarHBondContact O-N 3.07Å; I675-N679 VanDerWaalsContact O-CB 3.29Å; I675-N679 WeakPolarHBondContact O-CB 3.48Å; I675-N679 PolarHBondContact O-N 3.45Å; I675-N679 PolarHBondContact O-ND2 2.98Å
676I92.3Very high88.2Confident27 Ų2734.2 Ų34.214%0.13816%0.162CC..Hα-helixtrans-59.6-47.7178.1-69.6159.3000109.9K55 L56 F60 M63 A672 K673 N679 W680K55-I676 HydrophobicContact CG-CD1 4.17Å; L56-I676 HydrophobicContact CD2-CG1 4.18Å; F60-I676 HydrophobicContact CD2-CG1 4.5Å; F60-I676 HydrophobicContact CE2-CG1 4.34Å; M63-I676 HydrophobicContact CE-CB 4.11Å; M63-I676 HydrophobicContact CE-CG2 3.48Å; M63-I676 VanDerWaalsContact CE-CG2 3.48Å; M63-I676 WeakPolarHBondContact CE-O 3.48Å; A672-I676 WeakPolarHBondContact O-CB 3.38Å; A672-I676 VanDerWaalsContact O-CD1 3.28Å; A672-I676 WeakPolarHBondContact O-CD1 3.39Å; A672-I676 WeakPolarHBondContact O-CG1 3.37Å; A672-I676 PolarHBondContact O-N 2.62Å; K673-I676 PolarHBondContact O-N 3.22Å; I676-N679 PolarHBondContact O-N 3.25Å; I676-W680 WeakPolarHBondContact O-CB 3.01Å; I676-W680 PolarHBondContact O-N 2.95Å
677H90.5Very high86.9Confident102 Ų10237.8 Ų37.847%0.47218%0.18SC..Hα-helixtrans-64.1-48.3-178-173.869.6000112.1K673 Y674 I675 N679 W680 Q681K673-H677 VanDerWaalsContact O-CB 3.3Å; K673-H677 WeakPolarHBondContact O-CB 3.17Å; K673-H677 PolarHBondContact O-N 2.77Å; Y674-H677 PolarHBondContact O-N 2.9Å; I675-H677 PolarHBondContact O-N 3.07Å; H677-N679 VanDerWaalsContact C-N 3.3Å; H677-N679 PolarHBondContact O-N 3.4Å; H677-W680 WeakPolarHBondContact O-CB 3.31Å; H677-W680 PolarHBondContact O-N 3.43Å; H677-W680 VanDerWaalsContact O-N 3.13Å; H677-Q681 PolarHBondContact NE2-NE2 3.15Å; H677-Q681 WeakPolarHBondContact O-CG 3.45Å; H677-Q681 PolarHBondContact O-N 3.46Å
678E91Very high85.5Confident38 Ų3846.3 Ų46.318%0.17823%0.225CC..Hα-helixtrans-61.1-39.1177-73.5-177.6-147.200111.8K637 R645 Y674 W680 Q681 H682K637-E678 VanDerWaalsContact CE-OE1 3.26Å; K637-E678 WeakPolarHBondContact CE-OE1 3.16Å; K637-E678 VanDerWaalsContact CE-OE2 3.28Å; K637-E678 WeakPolarHBondContact CE-OE2 3.46Å; K637-E678 IonicContact NZ-OE1 2.65Å; K637-E678 PolarHBondContact NZ-OE1 2.76Å; K637-E678 IonicContact NZ-OE2 2.88Å; K637-E678 PolarHBondContact NZ-OE2 2.99Å; R645-E678 IonicContact CZ-OE1 3.25Å; R645-E678 IonicContact CZ-OE2 2.84Å; R645-E678 IonicContact NH1-OE1 2.77Å; R645-E678 PolarHBondContact NH1-OE1 3.09Å; R645-E678 IonicContact NH1-OE2 2.98Å; R645-E678 IonicContact NH2-OE1 3.32Å; R645-E678 PolarHBondContact NH2-OE1 3.36Å; R645-E678 IonicContact NH2-OE2 3.09Å; R645-E678 PolarHBondContact NH2-OE2 3.1Å; Y674-E678 WeakPolarHBondContact O-CB 3.42Å; Y674-E678 WeakPolarHBondContact O-CG 3.36Å; Y674-E678 PolarHBondContact O-N 3.23Å; E678-W680 VanDerWaalsContact C-N 3.32Å; E678-W680 PolarHBondContact O-N 3.16Å; E678-Q681 PolarHBondContact O-N 3.19Å; E678-H682 WeakPolarHBondContact O-CB 3.28Å; E678-H682 PolarHBondContact O-N 2.91Å
679N90.2Very high85Confident2 Ų248.7 Ų48.71%0.01124%0.237CC..Hα-helixtrans-70.3-28.2176.3-85.1-81.7000113.3F60 M63 W332 P333 K334 I675 I676 H677 L683F60-N679 HydrophobicContact CE1-CB 3.89Å; F60-N679 HydrophobicContact CZ-CB 3.8Å; M63-N679 HydrophobicContact CE-CB 4.19Å; W332-N679 PolarHBondContact NE1-O 3.05Å; P333-N679 WeakPolarHBondContact CA-OD1 3.49Å; P333-N679 WeakPolarHBondContact CB-OD1 3.05Å; K334-N679 PolarHBondContact N-OD1 3.38Å; I675-N679 VanDerWaalsContact O-CB 3.29Å; I675-N679 WeakPolarHBondContact O-CB 3.48Å; I675-N679 PolarHBondContact O-N 3.45Å; I675-N679 PolarHBondContact O-ND2 2.98Å; I676-N679 PolarHBondContact O-N 3.25Å; H677-N679 VanDerWaalsContact C-N 3.3Å; H677-N679 PolarHBondContact O-N 3.4Å; N679-L683 WeakPolarHBondContact O-CB 3.42Å; N679-L683 PolarHBondContact O-N 3.44Å
680W85.4Confident84.5Confident105 Ų10551.2 Ų51.240%0.39825%0.249SC..Hα-helixtrans-72.2-41.5173.3-170.879.3000111.4M63 I676 H677 E678 L683 S684M63-W680 HydrophobicContact CE-CB 3.99Å; M63-W680 HydrophobicContact SD-CB 4.25Å; I676-W680 WeakPolarHBondContact O-CB 3.01Å; I676-W680 PolarHBondContact O-N 2.95Å; H677-W680 WeakPolarHBondContact O-CB 3.31Å; H677-W680 PolarHBondContact O-N 3.43Å; H677-W680 VanDerWaalsContact O-N 3.13Å; E678-W680 VanDerWaalsContact C-N 3.32Å; E678-W680 PolarHBondContact O-N 3.16Å; W680-L683 PolarHBondContact O-N 3.35Å; W680-S684 PolarHBondContact O-N 2.92Å; W680-S684 PolarHBondContact O-OG 2.9Å
681Q84.3Confident84Confident90 Ų9053.8 Ų53.842%0.42126%0.262SS..Hα-helixtrans-61.5-45.6172.4-69.8179.3-21.200111.2H677 E678 L683 S684 L685H677-Q681 PolarHBondContact NE2-NE2 3.15Å; H677-Q681 WeakPolarHBondContact O-CG 3.45Å; H677-Q681 PolarHBondContact O-N 3.46Å; E678-Q681 PolarHBondContact O-N 3.19Å; Q681-L683 PolarHBondContact O-N 3.4Å; Q681-S684 PolarHBondContact O-N 3.04Å; Q681-L685 WeakPolarHBondContact O-CG 3.34Å; Q681-L685 PolarHBondContact O-N 2.81Å
682H80.7Confident83.4Confident47 Ų4757 Ų5722%0.21828%0.277CS..Hα-helixtrans-61-44.1177.2-174.644.4000112Q329 E678 S684 L685 M686Q329-H682 PolarHBondContact O-CE1 3.11Å; Q329-H682 PolarHBondContact O-NE2 3.35Å; E678-H682 WeakPolarHBondContact O-CB 3.28Å; E678-H682 PolarHBondContact O-N 2.91Å; H682-S684 VanDerWaalsContact C-N 3.33Å; H682-S684 PolarHBondContact O-N 2.77Å; H682-L685 PolarHBondContact O-N 3.35Å; H682-M686 WeakPolarHBondContact O-CG 3.24Å; H682-M686 PolarHBondContact O-N 2.88Å
683L78.3Confident82.6Confident21 Ų2160.6 Ų60.611%0.1130%0.295CS..Hα-helixtrans-61-43175.8-174.265.1000111.7W332 N679 W680 Q681 M686 M687W332-L683 HydrophobicContact CD2-CD1 4.12Å; W332-L683 HydrophobicContact CG-CD1 4.12Å; W332-L683 HydrophobicContact CZ2-CD2 4.03Å; N679-L683 WeakPolarHBondContact O-CB 3.42Å; N679-L683 PolarHBondContact O-N 3.44Å; W680-L683 PolarHBondContact O-N 3.35Å; Q681-L683 PolarHBondContact O-N 3.4Å; L683-M686 PolarHBondContact O-N 2.03Å; L683-M687 HydrophobicContact CG-SD 4.02Å; L683-M687 VanDerWaalsContact O-CG 3.25Å; L683-M687 WeakPolarHBondContact O-CG 3.38Å; L683-M687 PolarHBondContact O-N 3.47Å; L683-M687 VanDerWaalsContact O-N 3.1Å
684S73.6Confident82Confident33 Ų3361.2 Ų61.223%0.23130%0.3CS..Hα-helixtrans-62.1-45.5178.8-54.60000110.9W680 Q681 H682 M686 M687 D688W680-S684 PolarHBondContact O-N 2.92Å; W680-S684 PolarHBondContact O-OG 2.9Å; Q681-S684 PolarHBondContact O-N 3.04Å; H682-S684 VanDerWaalsContact C-N 3.33Å; H682-S684 PolarHBondContact O-N 2.77Å; S684-M686 VanDerWaalsContact C-N 3.27Å; S684-M686 PolarHBondContact O-N 2.7Å; S684-M687 WeakPolarHBondContact O-CB 2.95Å; S684-M687 PolarHBondContact O-N 2.64Å; S684-D688 PolarHBondContact O-N 3.19Å
685L73Confident81.2Confident124 Ų12463.6 Ų63.665%0.64931%0.313SS*.Hα-helixtrans-64.9-25.5175.6-72.3167.9000114.3Q681 H682Q681-L685 WeakPolarHBondContact O-CG 3.34Å; Q681-L685 PolarHBondContact O-N 2.81Å; H682-L685 PolarHBondContact O-N 3.35Å
686M69.8Low80.1Confident47 Ų4768.5 Ų68.523%0.23234%0.337CS..Hα-helixtrans-81.2-20.1173.8-73.3-177.968.600112.7V81 Q330 W332 H682 L683 S684V81-M686 HydrophobicContact CG1-CE 3.43Å; V81-M686 VanDerWaalsContact CG1-CE 3.43Å; Q330-M686 HydrophobicContact CB-CE 4.16Å; Q330-M686 HydrophobicContact CG-CE 4.47Å; Q330-M686 WeakPolarHBondContact O-CE 2.99Å; W332-M686 HydrophobicContact CB-SD 4.31Å; H682-M686 WeakPolarHBondContact O-CG 3.24Å; H682-M686 PolarHBondContact O-N 2.88Å; L683-M686 PolarHBondContact O-N 2.03Å; S684-M686 VanDerWaalsContact C-N 3.27Å; S684-M686 PolarHBondContact O-N 2.7Å
687M67.8Low79.1Confident75 Ų7571.9 Ų71.937%0.36935%0.354SS..Hα-helixtrans-88.8-32.8179.2-71.5173.358.800112.1I97 L683 S684I97-M687 HydrophobicContact CB-CE 4.31Å; I97-M687 HydrophobicContact CD1-CE 3.36Å; I97-M687 HydrophobicContact CG1-CE 4.4Å; I97-M687 HydrophobicContact CG2-CE 3.89Å; L683-M687 HydrophobicContact CG-SD 4.02Å; L683-M687 VanDerWaalsContact O-CG 3.25Å; L683-M687 WeakPolarHBondContact O-CG 3.38Å; L683-M687 PolarHBondContact O-N 3.47Å; L683-M687 VanDerWaalsContact O-N 3.1Å; S684-M687 WeakPolarHBondContact O-CB 2.95Å; S684-M687 PolarHBondContact O-N 2.64Å
688D64.4Low78Confident179 Ų17969.2 Ų69.296%0.95734%0.343SS*.  trans-720167.9-65.2-23.7000111S684S684-D688 PolarHBondContact O-N 3.19Å

Retrieved 688 of 688 residues in 1016.4 ms (Link to these results)

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