A0A3B3TIH6_9TELE Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A3B3TIH6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 1,174 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
1M35.8Very low35.9Very low235 Ų235171.5 Ų171.5100%1.15882%0.821SS**  01120-96.2166.415800105.2
2Y37.9Very low36.9Very low235 Ų235170.8 Ų170.892%0.92282%0.816SS**  trans-77.6111.7176.1-75.8-96.1000106.6
3D34.5Very low37.6Very low157 Ų157167.4 Ų167.484%0.8481%0.805SS**  trans-89.7123.4162-82.4-27.2000107.3D5D3-D5 PolarHBondContact O-N 3.45Å
4Q34.3Very low38.7Very low175 Ų175165.6 Ų165.682%0.81880%0.802SS**  trans-67.2122.8-177-71.1166.2-48.400109E6Q4-E6 VanDerWaalsContact C-N 3.35Å; Q4-E6 PolarHBondContact O-N 3.21Å
5D35.4Very low40.5Very low152 Ų152157.3 Ų157.381%0.81376%0.763SS**  trans-60.1100.5156.7-68.9-49.3000107.3D3 D7D3-D5 PolarHBondContact O-N 3.45Å; D5-D7 PolarHBondContact O-N 3.34Å
6E35.2Very low42.4Very low169 Ų169152.8 Ų152.879%0.7974%0.741SS**  trans-68.789.5162.3-79.3-174.2162.700107.6Q4 N8Q4-E6 VanDerWaalsContact C-N 3.35Å; Q4-E6 PolarHBondContact O-N 3.21Å; E6-N8 PolarHBondContact O-N 3.14Å
7D35.5Very low44.3Very low146 Ų146145.2 Ų145.278%0.78170%0.704SS**  trans-57.588.7158.2-85.4-29.9000108.4D5 Q9D5-D7 PolarHBondContact O-N 3.34Å; D7-Q9 PolarHBondContact O-N 3.37Å
8N34.3Very low45.8Very low108 Ų108140.9 Ų140.958%0.57869%0.688SS**  trans-66.389.3158.4-84-36.7000107.6E6 Y10E6-N8 PolarHBondContact O-N 3.14Å; N8-Y10 HydrophobicContact CB-CD2 3.79Å; N8-Y10 HydrophobicContact CB-CE2 3.46Å; N8-Y10 VanDerWaalsContact CB-CE2 3.46Å; N8-Y10 WeakPolarHBondContact O-CD2 3.43Å; N8-Y10 PolarHBondContact O-N 3.31Å
9Q34.3Very low46.9Very low187 Ų187136.6 Ų136.687%0.87467%0.672SS**  trans-61.286.2159-83-178.6-14.900108.3D7D7-Q9 PolarHBondContact O-N 3.37Å
10Y40.5Very low47.8Very low187 Ų187137.6 Ų137.673%0.73368%0.68SS**  trans-75.2122.7158.7-70.3-77.1000107.1N8 E12N8-Y10 HydrophobicContact CB-CD2 3.79Å; N8-Y10 HydrophobicContact CB-CE2 3.46Å; N8-Y10 VanDerWaalsContact CB-CE2 3.46Å; N8-Y10 WeakPolarHBondContact O-CD2 3.43Å; N8-Y10 PolarHBondContact O-N 3.31Å; Y10-E12 PolarHBondContact O-N 3.48Å
11D37.1Very low49.3Very low136 Ų136135.3 Ų135.373%0.72767%0.67SS**  trans-50.7120.7174.1-103.1-36.5000109.8D13 D14D11-D13 PolarHBondContact O-N 3.24Å; D11-D14 HydrophobicContact CB-CB 4.45Å; D11-D14 PolarHBondContact O-N 3.26Å; D11-D14 VanDerWaalsContact O-N 3.13Å
12E48.5Very low51.7Low162 Ų162125.6 Ų125.676%0.75762%0.621SS**THydrogen-bonded Turntrans-62-16.3-178.8-72.3-169.1148.500113.4Y10Y10-E12 PolarHBondContact O-N 3.48Å
13D45.3Very low53.9Low127 Ų127117.1 Ų117.168%0.67959%0.589SS**THydrogen-bonded Turntrans-88.4-9179.4-81.9-27.1000114D11D11-D13 PolarHBondContact O-N 3.24Å
14D53.1Low56.4Low142 Ų142114.4 Ų114.476%0.75957%0.572SS**SBendtrans-94.41.2-179.4-147.225.5000113.5D11D11-D14 HydrophobicContact CB-CB 4.45Å; D11-D14 PolarHBondContact O-N 3.26Å; D11-D14 VanDerWaalsContact O-N 3.13Å
15D66.1Low59.1Low41 Ų41106.4 Ų106.422%0.21954%0.535CS..  trans-102.36.8-176.6-156.219.1000113.1K636 R637 R638D15-K636 HydrophobicContact CB-CD 4.42Å; D15-K636 WeakPolarHBondContact OD2-CD 3.45Å; D15-R637 PolarHBondContact O-N 3.31Å; D15-R637 VanDerWaalsContact O-N 3.08Å; D15-R637 WeakPolarHBondContact OD1-CB 3.44Å; D15-R637 PolarHBondContact OD1-N 2.82Å; D15-R638 PolarHBondContact OD1-N 2.86Å
16E70.8Confident61.8Low86 Ų8699.2 Ų99.240%0.40250%0.497SS..  trans-78.7133.6179.9-161.8163.7-170.600111.4T18 K632E16-T18 PolarHBondContact O-N 2.83Å; E16-K632 IonicContact OE2-NZ 2.75Å
17I75.4Confident64.6Low23 Ų2391.7 Ų91.712%0.11846%0.461CS..  trans-78.6114.9-177.1-58.7173.6000109L21 W22 L635 R637 I640I17-L21 HydrophobicContact CG2-CB 4.1Å; I17-W22 HydrophobicContact CG2-CE3 4.3Å; I17-L635 HydrophobicContact CD1-CD2 4.42Å; I17-L635 HydrophobicContact CD1-CG 4.33Å; I17-R637 HydrophobicContact CG1-CB 4.29Å; I17-I640 HydrophobicContact CD1-CG1 3.96Å
18T70.6Confident67.4Low69 Ų6986.9 Ų86.942%0.42344%0.435SS..  trans-65.7150173.5590000111.6E16 D20 L21 W22E16-T18 PolarHBondContact O-N 2.83Å; T18-D20 PolarHBondContact O-N 2.9Å; T18-D20 VanDerWaalsContact O-N 3.14Å; T18-L21 PolarHBondContact O-N 2.85Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.42Å; T18-L21 WeakPolarHBondContact OG1-CG 3.31Å; T18-W22 PolarHBondContact O-N 2.87Å; T18-W22 VanDerWaalsContact O-N 3.17Å
19P66.1Low70.3Confident59 Ų5981.8 Ų81.838%0.38341%0.408SS..Hα-helixtrans-52.4-37178.1-27.834.6000114.5L21 W22P19-L21 VanDerWaalsContact C-N 3.31Å; P19-L21 PolarHBondContact O-N 2.91Å; P19-W22 VanDerWaalsContact O-CB 3.22Å; P19-W22 WeakPolarHBondContact O-CB 3.13Å; P19-W22 PolarHBondContact O-N 2.87Å; P19-W22 VanDerWaalsContact O-N 3.16Å
20D65.6Low73.2Confident156 Ų15672.9 Ų72.983%0.83437%0.366SS*.Hα-helixtrans-66.1-32.7178.7-73.7-17.9000113.1T18T18-D20 PolarHBondContact O-N 2.9Å; T18-D20 VanDerWaalsContact O-N 3.14Å
21L79.9Confident75.8Confident89 Ų8965.7 Ų65.747%0.46634%0.343SS..Hα-helixtrans-81.7-18.5176.6-69.1171.8000112.2I17 T18 P19 Q23 E24 A25I17-L21 HydrophobicContact CG2-CB 4.1Å; T18-L21 PolarHBondContact O-N 2.85Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.42Å; T18-L21 WeakPolarHBondContact OG1-CG 3.31Å; P19-L21 VanDerWaalsContact C-N 3.31Å; P19-L21 PolarHBondContact O-N 2.91Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.44Å; L21-E24 PolarHBondContact O-N 3.01Å; L21-A25 WeakPolarHBondContact O-CB 3.38Å; L21-A25 PolarHBondContact O-N 2.9Å
22W84.9Confident78.5Confident32 Ų3259.4 Ų59.412%0.12131%0.31CS..Hα-helixtrans-59.7-43.6-176.9178-113.3000112.7I17 T18 P19 E24 A25 C26 L626 L633 L635 P679I17-W22 HydrophobicContact CG2-CE3 4.3Å; T18-W22 PolarHBondContact O-N 2.87Å; T18-W22 VanDerWaalsContact O-N 3.17Å; P19-W22 VanDerWaalsContact O-CB 3.22Å; P19-W22 WeakPolarHBondContact O-CB 3.13Å; P19-W22 PolarHBondContact O-N 2.87Å; P19-W22 VanDerWaalsContact O-N 3.16Å; W22-E24 VanDerWaalsContact C-N 3.29Å; W22-E24 PolarHBondContact O-N 2.97Å; W22-A25 PolarHBondContact O-N 3Å; W22-C26 HydrophobicContact CD2-CB 4.41Å; W22-C26 HydrophobicContact CH2-CB 4.24Å; W22-C26 HydrophobicContact CZ2-CB 3.79Å; W22-C26 PolarHBondContact O-N 3.14Å; W22-C26 PolarHBondContact O-SG 3.39Å; W22-C26 VanDerWaalsContact O-SG 3.4Å; W22-L626 HydrophobicContact CH2-CD1 3.42Å; W22-L626 VanDerWaalsContact CH2-CD1 3.42Å; W22-L626 HydrophobicContact CZ2-CD1 4.06Å; W22-L626 HydrophobicContact CZ3-CD1 4.46Å; W22-L633 HydrophobicContact CH2-CD1 4.47Å; W22-L633 HydrophobicContact CZ3-CD2 4.34Å; W22-L635 HydrophobicContact CZ3-CD2 4.22Å; W22-P679 HydrophobicContact CD2-CG 3.54Å; W22-P679 VanDerWaalsContact CE2-CD 3.48Å; W22-P679 HydrophobicContact CE3-CG 3.91Å; W22-P679 HydrophobicContact CG-CG 4.08Å; W22-P679 HydrophobicContact CH2-CG 3.9Å; W22-P679 HydrophobicContact CZ2-CG 3.5Å; W22-P679 HydrophobicContact CZ3-CG 4.08Å; W22-P679 VanDerWaalsContact NE1-CD 3.29Å
23Q84.3Confident80.8Confident56 Ų5652.1 Ų52.126%0.26228%0.276SS..Hα-helixtrans-57.7-42.2-178.1-79.9-129.8-7.300111.9L21 C26 N1003L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.44Å; Q23-C26 PolarHBondContact O-SG 3.12Å; Q23-N1003 PolarHBondContact NE2-OD1 3Å; Q23-N1003 PolarHBondContact OE1-OD1 2.86Å
24E87.4Confident83.2Confident101 Ų10146.7 Ų46.747%0.47225%0.246SC..Hα-helixtrans-78.7-38.5177.4-63.3-54.3146.800112.3L21 W22 C26 W27 I28 R762L21-E24 PolarHBondContact O-N 3.01Å; W22-E24 VanDerWaalsContact C-N 3.29Å; W22-E24 PolarHBondContact O-N 2.97Å; E24-C26 PolarHBondContact O-N 2.72Å; E24-W27 PolarHBondContact O-N 2.94Å; E24-I28 WeakPolarHBondContact O-CG1 3.29Å; E24-I28 PolarHBondContact O-N 2.95Å; E24-R762 IonicContact OE1-CZ 2.78Å; E24-R762 IonicContact OE1-NH1 2.75Å; E24-R762 PolarHBondContact OE1-NH1 2.8Å; E24-R762 IonicContact OE1-NH2 2.84Å; E24-R762 PolarHBondContact OE1-NH2 3.04Å; E24-R762 IonicContact OE2-CZ 2.86Å; E24-R762 IonicContact OE2-NH1 2.61Å; E24-R762 PolarHBondContact OE2-NH1 3.39Å; E24-R762 IonicContact OE2-NH2 2.92Å
25A90.5Very high85Confident6 Ų643.3 Ų43.35%0.0523%0.228CC..Hα-helixtrans-59.7-43.7-179.400000112.7L21 W22 W27 I28 V29 I640L21-A25 WeakPolarHBondContact O-CB 3.38Å; L21-A25 PolarHBondContact O-N 2.9Å; W22-A25 PolarHBondContact O-N 3Å; A25-W27 VanDerWaalsContact C-N 3.32Å; A25-W27 PolarHBondContact O-N 3.39Å; A25-I28 PolarHBondContact O-N 2.92Å; A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.16Å; A25-I640 HydrophobicContact CB-CD1 3.97Å; A25-I640 HydrophobicContact CB-CG1 4.05Å; A25-I640 HydrophobicContact CB-CG2 4.3Å
26C92.4Very high86.2Confident1 Ų143.8 Ų43.81%0.00723%0.229CC..Hα-helixtrans-64.8-35.5-178.169.30000112.4W22 Q23 E24 V29 I30 I698W22-C26 HydrophobicContact CD2-CB 4.41Å; W22-C26 HydrophobicContact CH2-CB 4.24Å; W22-C26 HydrophobicContact CZ2-CB 3.79Å; W22-C26 PolarHBondContact O-N 3.14Å; W22-C26 PolarHBondContact O-SG 3.39Å; W22-C26 VanDerWaalsContact O-SG 3.4Å; Q23-C26 PolarHBondContact O-SG 3.12Å; E24-C26 PolarHBondContact O-N 2.72Å; C26-V29 PolarHBondContact O-N 2.65Å; C26-I30 VanDerWaalsContact O-CG1 3.25Å; C26-I30 WeakPolarHBondContact O-CG1 3.23Å; C26-I30 PolarHBondContact O-N 2.88Å; C26-I698 HydrophobicContact CB-CG2 4.35Å; C26-I698 WeakPolarHBondContact CB-O 3.33Å
27W93.9Very high87.1Confident12 Ų1241.8 Ų41.85%0.04522%0.219CC..Hα-helixtrans-71.5-32.6176.3-70.8109000113E24 A25 V29 I30 S31 H699 S701 M702 R762 Y766 T1000E24-W27 PolarHBondContact O-N 2.94Å; A25-W27 VanDerWaalsContact C-N 3.32Å; A25-W27 PolarHBondContact O-N 3.39Å; W27-V29 VanDerWaalsContact C-N 3.33Å; W27-I30 HydrophobicContact CD2-CD1 4.25Å; W27-I30 HydrophobicContact CE3-CB 4.38Å; W27-I30 HydrophobicContact CE3-CD1 3.82Å; W27-I30 HydrophobicContact CE3-CG2 4.35Å; W27-I30 HydrophobicContact CZ3-CD1 4.04Å; W27-I30 HydrophobicContact CZ3-CG2 4.47Å; W27-I30 PolarHBondContact O-N 2.86Å; W27-S31 PolarHBondContact O-N 3.34Å; W27-H699 AromaticContact CE2-CD2 3.46Å; W27-H699 VanDerWaalsContact CE2-CD2 3.46Å; W27-H699 AromaticContact CE2-NE2 3.75Å; W27-H699 AromaticContact CZ2-CD2 3.31Å; W27-H699 WeakPolarHBondContact CZ2-CD2 3.38Å; W27-H699 AromaticContact CZ2-CG 3.98Å; W27-H699 AromaticContact CZ2-NE2 3.35Å; W27-H699 VanDerWaalsContact CZ2-NE2 3.35Å; W27-H699 WeakPolarHBondContact CZ2-NE2 3.46Å; W27-H699 AromaticContact NE1-CD2 3.5Å; W27-H699 PolarHBondContact NE1-CD2 2.97Å; W27-H699 AromaticContact NE1-NE2 3.7Å; W27-S701 VanDerWaalsContact CH2-OG 3.3Å; W27-S701 WeakPolarHBondContact CH2-OG 3.49Å; W27-M702 HydrophobicContact CH2-CE 3.65Å; W27-M702 HydrophobicContact CZ3-CE 3.59Å; W27-R762 HydrophobicContact CD2-CB 3.88Å; W27-R762 HydrophobicContact CD2-CG 4.45Å; W27-R762 HydrophobicContact CE3-CB 3.86Å; W27-R762 HydrophobicContact CH2-CB 3.79Å; W27-R762 HydrophobicContact CZ2-CB 3.84Å; W27-R762 HydrophobicContact CZ2-CG 4.5Å; W27-R762 HydrophobicContact CZ3-CB 3.8Å; W27-Y766 AromaticContact CE3-CE2 3.83Å; W27-Y766 HydrophobicContact CE3-CE2 3.83Å; W27-Y766 AromaticContact CZ3-CE2 3.86Å; W27-Y766 HydrophobicContact CZ3-CE2 3.86Å; W27-Y766 PolarHBondContact O-OH 3.47Å; W27-T1000 HydrophobicContact CH2-CG2 4.19Å; W27-T1000 HydrophobicContact CZ2-CG2 3.56Å
28I94.3Very high88Confident45 Ų4542.1 Ų42.123%0.23123%0.228CC..Hα-helixtrans-61.6-44.9172.7-65.8165.2000110.2E24 A25 S31 S32 I640 L643 K644E24-I28 WeakPolarHBondContact O-CG1 3.29Å; E24-I28 PolarHBondContact O-N 2.95Å; A25-I28 PolarHBondContact O-N 2.92Å; I28-S31 WeakPolarHBondContact O-CB 3.5Å; I28-S31 PolarHBondContact O-N 3.32Å; I28-S32 PolarHBondContact O-N 3.16Å; I28-I640 HydrophobicContact CD1-CG2 3.93Å; I28-L643 HydrophobicContact CG2-CB 3.83Å; I28-K644 HydrophobicContact CD1-CD 4.28Å; I28-K644 VanDerWaalsContact CD1-CE 3.47Å; I28-K644 HydrophobicContact CD1-CG 3.91Å; I28-K644 HydrophobicContact CG2-CG 4.46Å
29V94.6Very high89Confident1 Ų139.9 Ų39.91%0.00621%0.213CC..Hα-helixtrans-60.5-46.5175.2175.50000110.9A25 C26 W27 S31 S32 Y33 L635 I640 L643 W653 L656 I698A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.16Å; C26-V29 PolarHBondContact O-N 2.65Å; W27-V29 VanDerWaalsContact C-N 3.33Å; V29-S31 VanDerWaalsContact C-N 3.31Å; V29-S31 PolarHBondContact O-N 2.9Å; V29-S32 PolarHBondContact O-N 3.11Å; V29-S32 PolarHBondContact O-OG 2.9Å; V29-Y33 PolarHBondContact O-N 2.94Å; V29-Y33 VanDerWaalsContact O-N 3.17Å; V29-L635 HydrophobicContact CG2-CD2 4Å; V29-I640 HydrophobicContact CG2-CD1 3.62Å; V29-L643 HydrophobicContact CG2-CD1 3.98Å; V29-W653 HydrophobicContact CG1-CE3 4.49Å; V29-W653 HydrophobicContact CG1-CZ3 3.73Å; V29-L656 HydrophobicContact CG1-CD2 3.95Å; V29-I698 HydrophobicContact CG1-CG2 4.41Å
30I96Very high90.4Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-62.3-37.7177.4-66.3165.2000111.7C26 W27 Y33 F34 M529 I698 H699 M702 Y766C26-I30 VanDerWaalsContact O-CG1 3.25Å; C26-I30 WeakPolarHBondContact O-CG1 3.23Å; C26-I30 PolarHBondContact O-N 2.88Å; W27-I30 HydrophobicContact CD2-CD1 4.25Å; W27-I30 HydrophobicContact CE3-CB 4.38Å; W27-I30 HydrophobicContact CE3-CD1 3.82Å; W27-I30 HydrophobicContact CE3-CG2 4.35Å; W27-I30 HydrophobicContact CZ3-CD1 4.04Å; W27-I30 HydrophobicContact CZ3-CG2 4.47Å; W27-I30 PolarHBondContact O-N 2.86Å; I30-Y33 WeakPolarHBondContact O-CB 3.42Å; I30-Y33 PolarHBondContact O-N 3.07Å; I30-F34 HydrophobicContact CG2-CD2 3.63Å; I30-F34 HydrophobicContact CG2-CE2 3.48Å; I30-F34 VanDerWaalsContact CG2-CE2 3.48Å; I30-F34 WeakPolarHBondContact O-CD2 3.46Å; I30-F34 PolarHBondContact O-N 2.83Å; I30-F34 VanDerWaalsContact O-N 3.12Å; I30-M529 HydrophobicContact CG1-SD 4.34Å; I30-I698 HydrophobicContact CD1-CG2 3.94Å; I30-I698 HydrophobicContact CG1-CG2 3.64Å; I30-H699 HydrophobicContact CD1-CB 3.84Å; I30-M702 HydrophobicContact CD1-CE 4.26Å; I30-M702 HydrophobicContact CD1-CG 4.16Å; I30-M702 HydrophobicContact CD1-SD 4.25Å; I30-M702 HydrophobicContact CG2-SD 4.05Å; I30-Y766 HydrophobicContact CB-CE2 4.39Å; I30-Y766 HydrophobicContact CG2-CD2 4.1Å; I30-Y766 HydrophobicContact CG2-CE2 3.44Å; I30-Y766 VanDerWaalsContact CG2-CE2 3.44Å
31S95.2Very high91.7Very high35 Ų3534.2 Ų34.225%0.24517%0.173CC..Hα-helixtrans-61.9-45.9176.4-165.50000111.2W27 I28 V29 Y33 F34 D35 Y766W27-S31 PolarHBondContact O-N 3.34Å; I28-S31 WeakPolarHBondContact O-CB 3.5Å; I28-S31 PolarHBondContact O-N 3.32Å; V29-S31 VanDerWaalsContact C-N 3.31Å; V29-S31 PolarHBondContact O-N 2.9Å; S31-Y33 VanDerWaalsContact C-N 3.25Å; S31-Y33 PolarHBondContact O-N 3.47Å; S31-F34 PolarHBondContact O-N 2.75Å; S31-D35 WeakPolarHBondContact O-CB 3.49Å; S31-D35 PolarHBondContact O-N 3.05Å; S31-Y766 PolarHBondContact N-OH 3.03Å
32S94.1Very high92.3Very high5 Ų530.4 Ų30.44%0.03515%0.153CC..Hα-helixtrans-58.5-38.4177.275.80000112.4I28 V29 E36I28-S32 PolarHBondContact O-N 3.16Å; V29-S32 PolarHBondContact O-N 3.11Å; V29-S32 PolarHBondContact O-OG 2.9Å; S32-E36 PolarHBondContact O-N 2.95Å
33Y95.7Very high92.8Very high8 Ų829 Ų293%0.03115%0.148CC..Hα-helixtrans-61.5-51175175.3-94.6000112.1V29 I30 S31 E36 K37 M529 P624 W653V29-Y33 PolarHBondContact O-N 2.94Å; V29-Y33 VanDerWaalsContact O-N 3.17Å; I30-Y33 WeakPolarHBondContact O-CB 3.42Å; I30-Y33 PolarHBondContact O-N 3.07Å; S31-Y33 VanDerWaalsContact C-N 3.25Å; S31-Y33 PolarHBondContact O-N 3.47Å; Y33-E36 PolarHBondContact O-N 2.81Å; Y33-K37 HydrophobicContact CD2-CG 4.11Å; Y33-K37 HydrophobicContact CE2-CB 4.43Å; Y33-K37 HydrophobicContact CE2-CG 3.87Å; Y33-K37 WeakPolarHBondContact O-CB 3.49Å; Y33-K37 PolarHBondContact O-N 2.85Å; Y33-M529 HydrophobicContact CD1-CE 3.8Å; Y33-M529 HydrophobicContact CD1-CG 4.32Å; Y33-M529 HydrophobicContact CD2-CE 3.96Å; Y33-M529 HydrophobicContact CE1-CB 4.37Å; Y33-M529 HydrophobicContact CE1-CE 4.24Å; Y33-M529 HydrophobicContact CE1-CG 4.18Å; Y33-M529 HydrophobicContact CE2-CE 4.37Å; Y33-M529 HydrophobicContact CG-CE 3.65Å; Y33-M529 PolarHBondContact OH-O 3.12Å; Y33-P624 HydrophobicContact CD2-CG 4.46Å; Y33-P624 HydrophobicContact CE2-CG 4.14Å; Y33-W653 AromaticContact CD2-CD2 3.92Å; Y33-W653 HydrophobicContact CD2-CD2 3.92Å; Y33-W653 AromaticContact CD2-CE2 3.55Å; Y33-W653 HydrophobicContact CD2-CE3 4.37Å; Y33-W653 HydrophobicContact CD2-CG 4.4Å; Y33-W653 HydrophobicContact CD2-CH2 4.1Å; Y33-W653 AromaticContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ3 4.46Å; Y33-W653 AromaticContact CD2-NE1 3.84Å; Y33-W653 HydrophobicContact CE2-CZ2 4.28Å
34F95.6Very high93.3Very high13 Ų1327.2 Ų27.26%0.05714%0.14CC..Hα-helixtrans-73.6-27.4-176.8-75.8-61.2000113.6I30 S31 G38 L39 L528 M529 M702 Y766I30-F34 HydrophobicContact CG2-CD2 3.63Å; I30-F34 HydrophobicContact CG2-CE2 3.48Å; I30-F34 VanDerWaalsContact CG2-CE2 3.48Å; I30-F34 WeakPolarHBondContact O-CD2 3.46Å; I30-F34 PolarHBondContact O-N 2.83Å; I30-F34 VanDerWaalsContact O-N 3.12Å; S31-F34 PolarHBondContact O-N 2.75Å; F34-G38 WeakPolarHBondContact O-CA 3.28Å; F34-G38 PolarHBondContact O-N 3.01Å; F34-L39 HydrophobicContact CD1-CD2 3.79Å; F34-L39 HydrophobicContact CE1-CD2 3.62Å; F34-L528 HydrophobicContact CZ-CB 4.1Å; F34-M529 HydrophobicContact CE2-CG 4.44Å; F34-M529 HydrophobicContact CZ-CG 4.08Å; F34-M702 HydrophobicContact CE2-SD 4.22Å; F34-Y766 HydrophobicContact CB-CD1 4.03Å; F34-Y766 HydrophobicContact CB-CG 4.16Å; F34-Y766 AromaticContact CD2-CD1 3.94Å; F34-Y766 HydrophobicContact CD2-CD1 3.94Å; F34-Y766 AromaticContact CD2-CD2 3.52Å; F34-Y766 HydrophobicContact CD2-CD2 3.52Å; F34-Y766 HydrophobicContact CD2-CE1 4.46Å; F34-Y766 HydrophobicContact CD2-CE2 4.07Å; F34-Y766 AromaticContact CD2-CG 3.44Å; F34-Y766 HydrophobicContact CD2-CG 3.44Å; F34-Y766 VanDerWaalsContact CD2-CG 3.44Å; F34-Y766 AromaticContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CE2 4.36Å; F34-Y766 HydrophobicContact CE2-CG 4.1Å; F34-Y766 HydrophobicContact CG-CD1 4.32Å; F34-Y766 HydrophobicContact CG-CD2 4.46Å; F34-Y766 AromaticContact CG-CG 3.97Å; F34-Y766 HydrophobicContact CG-CG 3.97Å
35D91.7Very high93.7Very high72 Ų7223.7 Ų23.739%0.38512%0.124SC..Hα-helixtrans-69.4-37.1175.2-70.3-22.9000112.1S31 R646S31-D35 WeakPolarHBondContact O-CB 3.49Å; S31-D35 PolarHBondContact O-N 3.05Å; D35-R646 VanDerWaalsContact CB-NH1 3.32Å; D35-R646 IonicContact OD2-CZ 2.74Å; D35-R646 IonicContact OD2-NH1 3.09Å; D35-R646 PolarHBondContact OD2-NH1 3Å
36E91Very high93.9Very high50 Ų5023.6 Ų23.623%0.23412%0.124CC..Hα-helixtrans-83.7-49.7178.2-167.3-167.411700112.2S32 Y33 W653 Q654S32-E36 PolarHBondContact O-N 2.95Å; Y33-E36 PolarHBondContact O-N 2.81Å; E36-W653 HydrophobicContact CB-CB 4.28Å; E36-W653 WeakPolarHBondContact OE2-CA 3.3Å; E36-W653 VanDerWaalsContact OE2-CB 3.26Å; E36-W653 WeakPolarHBondContact OE2-CB 3.5Å; E36-W653 PolarHBondContact OE2-N 2.72Å; E36-Q654 PolarHBondContact OE2-N 2.85Å
37K90.9Very high94.1Very high45 Ų4523.6 Ų23.620%0.19612%0.123CC..Hα-helixtrans-84.5-32.2-173.9-59-57.4-176.8-154.10112.5Y33 R41Y33-K37 HydrophobicContact CD2-CG 4.11Å; Y33-K37 HydrophobicContact CE2-CB 4.43Å; Y33-K37 HydrophobicContact CE2-CG 3.87Å; Y33-K37 WeakPolarHBondContact O-CB 3.49Å; Y33-K37 PolarHBondContact O-N 2.85Å; K37-R41 VanDerWaalsContact O-CB 3.31Å; K37-R41 WeakPolarHBondContact O-CB 3.46Å; K37-R41 WeakPolarHBondContact O-CD 3.46Å
38G93Very high94.2Very high30 Ų3023.5 Ų23.531%0.30912%0.124SC..  trans65.6-162.4-169.800000113.1F34F34-G38 WeakPolarHBondContact O-CA 3.28Å; F34-G38 PolarHBondContact O-N 3.01Å
39L92.4Very high94.2Very high21 Ų2122.8 Ų22.811%0.1112%0.119CC..SBendtrans-106-11.6-172.4-69.8172000115.3F34 L479 R483 L767F34-L39 HydrophobicContact CD1-CD2 3.79Å; F34-L39 HydrophobicContact CE1-CD2 3.62Å; L39-L479 HydrophobicContact CB-CD2 4.21Å; L39-L479 HydrophobicContact CD1-CD1 3.81Å; L39-L479 HydrophobicContact CD1-CD2 3.99Å; L39-R483 VanDerWaalsContact O-CD 3.23Å; L39-R483 WeakPolarHBondContact O-CD 3.44Å; L39-R483 PolarHBondContact O-NE 2.95Å; L39-L767 HydrophobicContact CD1-CD2 3.83Å; L39-L767 HydrophobicContact CD2-CD2 4.25Å
40V94.9Very high94.2Very high7 Ų722.8 Ų22.84%0.04212%0.12CC..  trans-126.418.7-173.2-600000113.2Q42 Q43 L44 P181 L479 L482V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 VanDerWaalsContact C-OE1 3.31Å; V40-Q42 PolarHBondContact O-N 3.14Å; V40-Q43 PolarHBondContact O-N 3.28Å; V40-L44 HydrophobicContact CG2-CD1 4.19Å; V40-P181 HydrophobicContact CG1-CB 3.91Å; V40-P181 HydrophobicContact CG2-CB 3.85Å; V40-P181 VanDerWaalsContact CG2-O 3.31Å; V40-P181 WeakPolarHBondContact CG2-O 3.46Å; V40-L479 HydrophobicContact CG1-CD2 4.46Å; V40-L482 HydrophobicContact CG1-CB 3.91Å; V40-L482 HydrophobicContact CG1-CD1 3.81Å; V40-L482 HydrophobicContact CG1-CG 4.46Å
41R92.4Very high94.2Very high89 Ų8923.1 Ų23.134%0.33612%0.121SC..Hα-helixtrans-53.4-42.2-172.5-16268.7-155.3176.95.4113.3K37 Q43 L44 D45K37-R41 VanDerWaalsContact O-CB 3.31Å; K37-R41 WeakPolarHBondContact O-CB 3.46Å; K37-R41 WeakPolarHBondContact O-CD 3.46Å; R41-Q43 PolarHBondContact O-N 3.39Å; R41-Q43 VanDerWaalsContact O-N 3.12Å; R41-L44 PolarHBondContact O-N 3.44Å; R41-D45 WeakPolarHBondContact CG-OD2 3.22Å; R41-D45 IonicContact CZ-OD1 3.81Å; R41-D45 IonicContact CZ-OD2 3.24Å; R41-D45 IonicContact NE-OD1 3.92Å; R41-D45 PolarHBondContact NE-OD1 2.97Å; R41-D45 IonicContact NE-OD2 2.72Å; R41-D45 PolarHBondContact NE-OD2 3.08Å; R41-D45 IonicContact NH2-OD1 2.69Å; R41-D45 PolarHBondContact NH2-OD1 3.38Å; R41-D45 WeakPolarHBondContact O-CB 3.48Å; R41-D45 PolarHBondContact O-N 3.05Å
42Q93Very high94Very high9 Ų926.5 Ų26.54%0.04213%0.133CC..Hα-helixtrans-56.1-32.9179.672.3-71.9-7.100113.6V40 S46 L395 L526 I532V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 VanDerWaalsContact C-OE1 3.31Å; V40-Q42 PolarHBondContact O-N 3.14Å; Q42-S46 WeakPolarHBondContact O-CB 3.42Å; Q42-S46 PolarHBondContact O-N 3.31Å; Q42-L395 HydrophobicContact CB-CD1 4.08Å; Q42-L395 HydrophobicContact CG-CD2 4.48Å; Q42-L395 WeakPolarHBondContact O-CD1 3.4Å; Q42-L526 HydrophobicContact CG-CD1 4.31Å; Q42-I532 HydrophobicContact CB-CB 4.23Å; Q42-I532 HydrophobicContact CB-CD1 4.22Å; Q42-I532 HydrophobicContact CB-CG1 4.42Å; Q42-I532 HydrophobicContact CG-CD1 4.2Å
43Q94.8Very high93.8Very high4 Ų430.3 Ų30.32%0.01915%0.152CC..Hα-helixtrans-76.5-41.8178.3-65.9-73.15.100111.2V40 R41 F47 M155 L194 L482V40-Q43 PolarHBondContact O-N 3.28Å; R41-Q43 PolarHBondContact O-N 3.39Å; R41-Q43 VanDerWaalsContact O-N 3.12Å; Q43-F47 WeakPolarHBondContact O-CB 3.36Å; Q43-F47 PolarHBondContact O-N 3.42Å; Q43-M155 HydrophobicContact CB-SD 4.27Å; Q43-L194 PolarHBondContact NE2-O 2.88Å; Q43-L482 PolarHBondContact NE2-O 3.38Å; Q43-L482 VanDerWaalsContact NE2-O 3.11Å
44L96.1Very high93.6Very high18 Ų1830.6 Ų30.69%0.09415%0.154CC..Hα-helixtrans-68.8-52.8-178.9-63.5174.4000110.6V40 R41 S46 F47 D48 M155V40-L44 HydrophobicContact CG2-CD1 4.19Å; R41-L44 PolarHBondContact O-N 3.44Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 3.49Å; L44-F47 PolarHBondContact O-N 3.44Å; L44-D48 WeakPolarHBondContact O-CB 3.45Å; L44-D48 PolarHBondContact O-N 3.33Å; L44-M155 HydrophobicContact CD2-CG 4.41Å; L44-M155 HydrophobicContact CD2-SD 3.99Å
45D94.9Very high93.4Very high26 Ų2630 Ų3014%0.13915%0.152CC..Hα-helixtrans-60.2-42.6-179.3-74.9-15.2000111.8R41 F47 D48 E49 V534R41-D45 WeakPolarHBondContact CG-OD2 3.22Å; R41-D45 IonicContact CZ-OD1 3.81Å; R41-D45 IonicContact CZ-OD2 3.24Å; R41-D45 IonicContact NE-OD1 3.92Å; R41-D45 PolarHBondContact NE-OD1 2.97Å; R41-D45 IonicContact NE-OD2 2.72Å; R41-D45 PolarHBondContact NE-OD2 3.08Å; R41-D45 IonicContact NH2-OD1 2.69Å; R41-D45 PolarHBondContact NH2-OD1 3.38Å; R41-D45 WeakPolarHBondContact O-CB 3.48Å; R41-D45 PolarHBondContact O-N 3.05Å; D45-F47 VanDerWaalsContact C-N 3.29Å; D45-F47 PolarHBondContact O-N 3.43Å; D45-D48 PolarHBondContact O-N 2.94Å; D45-E49 WeakPolarHBondContact O-CB 3.38Å; D45-E49 PolarHBondContact O-N 3.22Å; D45-V534 HydrophobicContact CB-CG1 3.65Å
46S95.5Very high93.5Very high5 Ų527.4 Ų27.44%0.03514%0.137CC..Hα-helixtrans-64.1-34.2176.8-176.20000112.6Q42 L44 F50 L395 G397 P398Q42-S46 WeakPolarHBondContact O-CB 3.42Å; Q42-S46 PolarHBondContact O-N 3.31Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 3.49Å; S46-F50 WeakPolarHBondContact O-CB 3.4Å; S46-F50 PolarHBondContact O-N 2.86Å; S46-L395 VanDerWaalsContact OG-CB 3.29Å; S46-L395 WeakPolarHBondContact OG-CB 3.46Å; S46-G397 WeakPolarHBondContact O-CA 3.36Å; S46-G397 WeakPolarHBondContact OG-CA 3.36Å; S46-G397 PolarHBondContact OG-N 3.39Å; S46-P398 WeakPolarHBondContact OG-CD 3.39Å
47F96.8Very high93.4Very high0 Ų027.4 Ų27.40%014%0.135CC..Hα-helixtrans-77.5-38.3176.5-178.4-99000112.3Q43 L44 D45 F50 I51 I154 M155 F185 L400Q43-F47 WeakPolarHBondContact O-CB 3.36Å; Q43-F47 PolarHBondContact O-N 3.42Å; L44-F47 PolarHBondContact O-N 3.44Å; D45-F47 VanDerWaalsContact C-N 3.29Å; D45-F47 PolarHBondContact O-N 3.43Å; F47-F50 HydrophobicContact CD2-CD1 4.24Å; F47-F50 HydrophobicContact CE2-CD1 4.2Å; F47-F50 HydrophobicContact CE2-CE1 4.5Å; F47-F50 WeakPolarHBondContact O-CB 3.49Å; F47-F50 PolarHBondContact O-N 3.49Å; F47-I51 HydrophobicContact CD1-CG1 4.4Å; F47-I51 HydrophobicContact CE1-CG1 3.89Å; F47-I51 HydrophobicContact CE2-CD1 4.37Å; F47-I51 HydrophobicContact CE2-CG1 4.29Å; F47-I51 HydrophobicContact CZ-CD1 4.04Å; F47-I51 HydrophobicContact CZ-CG1 3.82Å; F47-I51 PolarHBondContact O-N 3.25Å; F47-I51 VanDerWaalsContact O-N 3.13Å; F47-I154 HydrophobicContact CZ-CD1 4.17Å; F47-M155 HydrophobicContact CB-CB 4.44Å; F47-M155 HydrophobicContact CB-CE 3.73Å; F47-M155 HydrophobicContact CB-SD 3.88Å; F47-M155 HydrophobicContact CD1-CB 3.61Å; F47-M155 HydrophobicContact CD2-CB 4.22Å; F47-M155 HydrophobicContact CD2-CE 4.22Å; F47-M155 HydrophobicContact CE1-CB 3.83Å; F47-M155 HydrophobicContact CE2-CB 4.42Å; F47-M155 HydrophobicContact CG-CB 3.81Å; F47-M155 HydrophobicContact CG-CE 4.05Å; F47-M155 HydrophobicContact CG-SD 4.27Å; F47-M155 HydrophobicContact CZ-CB 4.24Å; F47-F185 HydrophobicContact CD2-CE1 4.09Å; F47-F185 AromaticContact CD2-CZ 3.81Å; F47-F185 HydrophobicContact CD2-CZ 3.81Å; F47-F185 AromaticContact CE2-CE1 3.65Å; F47-F185 HydrophobicContact CE2-CE1 3.65Å; F47-F185 AromaticContact CE2-CZ 3.82Å; F47-F185 HydrophobicContact CE2-CZ 3.82Å; F47-F185 HydrophobicContact CZ-CE1 4.16Å; F47-L400 HydrophobicContact CD2-CD1 3.77Å; F47-L400 HydrophobicContact CE2-CD1 3.82Å
48D95.8Very high93.3Very high11 Ų1125.8 Ų25.86%0.05913%0.129CC..Hα-helixtrans-65.8-45178.5-71.5-34.5000110.8L44 D45 F50 I51 Q52 S158 T159L44-D48 WeakPolarHBondContact O-CB 3.45Å; L44-D48 PolarHBondContact O-N 3.33Å; D45-D48 PolarHBondContact O-N 2.94Å; D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 2.82Å; D48-I51 PolarHBondContact O-N 3.06Å; D48-Q52 WeakPolarHBondContact O-CB 3.48Å; D48-Q52 VanDerWaalsContact O-CG 3.31Å; D48-Q52 WeakPolarHBondContact O-CG 3.38Å; D48-Q52 PolarHBondContact O-N 3.37Å; D48-S158 VanDerWaalsContact OD1-CB 3.3Å; D48-S158 WeakPolarHBondContact OD1-CB 3.35Å; D48-T159 HydrophobicContact CB-CG2 4.38Å; D48-T159 VanDerWaalsContact CG-OG1 3.26Å; D48-T159 WeakPolarHBondContact OD1-CB 3.4Å; D48-T159 PolarHBondContact OD1-N 3.26Å; D48-T159 PolarHBondContact OD1-OG1 2.92Å; D48-T159 WeakPolarHBondContact OD2-CG2 3.41Å; D48-T159 PolarHBondContact OD2-N 2.97Å
49E94.5Very high93.3Very high29 Ų2924.4 Ų24.414%0.13611%0.114CC..Hα-helixtrans-57.3-42.4171.3-173.8-74.8151.800111.2D45 I51 Q52 M53 S54 V534D45-E49 WeakPolarHBondContact O-CB 3.38Å; D45-E49 PolarHBondContact O-N 3.22Å; E49-I51 VanDerWaalsContact C-N 3.34Å; E49-I51 PolarHBondContact O-N 3.47Å; E49-Q52 PolarHBondContact O-N 2.82Å; E49-M53 PolarHBondContact O-N 2.85Å; E49-S54 PolarHBondContact O-N 3.16Å; E49-S54 PolarHBondContact OE1-OG 3.31Å; E49-S54 PolarHBondContact OE2-OG 3.44Å; E49-S54 VanDerWaalsContact OE2-OG 3.07Å; E49-V534 HydrophobicContact CB-CB 4.47Å
50F94.7Very high93.1Very high2 Ų228.9 Ų28.91%0.00914%0.135CC..Iπ-helixtrans-59.9-46.5-178.1160-107.3000111.7S46 F47 D48 S54 V55 L400 A401 F404S46-F50 WeakPolarHBondContact O-CB 3.4Å; S46-F50 PolarHBondContact O-N 2.86Å; F47-F50 HydrophobicContact CD2-CD1 4.24Å; F47-F50 HydrophobicContact CE2-CD1 4.2Å; F47-F50 HydrophobicContact CE2-CE1 4.5Å; F47-F50 WeakPolarHBondContact O-CB 3.49Å; F47-F50 PolarHBondContact O-N 3.49Å; D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 2.82Å; F50-S54 WeakPolarHBondContact O-CB 3.49Å; F50-S54 PolarHBondContact O-N 3.07Å; F50-V55 HydrophobicContact CD1-CG2 4.39Å; F50-V55 HydrophobicContact CD2-CG2 4.04Å; F50-V55 HydrophobicContact CE1-CG2 3.89Å; F50-V55 HydrophobicContact CE2-CG2 3.47Å; F50-V55 VanDerWaalsContact CE2-CG2 3.47Å; F50-V55 HydrophobicContact CG-CG2 4.47Å; F50-V55 HydrophobicContact CZ-CG2 3.39Å; F50-V55 WeakPolarHBondContact O-CG2 3.38Å; F50-V55 PolarHBondContact O-N 3.21Å; F50-L400 HydrophobicContact CD1-CB 4.19Å; F50-L400 HydrophobicContact CD1-CD1 4.19Å; F50-L400 HydrophobicContact CD2-CB 4.3Å; F50-L400 HydrophobicContact CE1-CB 3.88Å; F50-L400 HydrophobicContact CE1-CD1 4.11Å; F50-L400 HydrophobicContact CE2-CB 4.02Å; F50-L400 HydrophobicContact CG-CB 4.4Å; F50-L400 HydrophobicContact CZ-CB 3.8Å; F50-A401 HydrophobicContact CD2-CB 4Å; F50-A401 HydrophobicContact CE2-CB 4.12Å; F50-F404 HydrophobicContact CE2-CB 4.43Å; F50-F404 HydrophobicContact CZ-CB 4.3Å
51I94.8Very high92.6Very high7 Ų732.3 Ų32.34%0.03615%0.153CC..Iπ-helixtrans-71.6-41.9179.9-63.3-61.6000111.5F47 D48 E49 V55 L93 I152 Y160F47-I51 HydrophobicContact CD1-CG1 4.4Å; F47-I51 HydrophobicContact CE1-CG1 3.89Å; F47-I51 HydrophobicContact CE2-CD1 4.37Å; F47-I51 HydrophobicContact CE2-CG1 4.29Å; F47-I51 HydrophobicContact CZ-CD1 4.04Å; F47-I51 HydrophobicContact CZ-CG1 3.82Å; F47-I51 PolarHBondContact O-N 3.25Å; F47-I51 VanDerWaalsContact O-N 3.13Å; D48-I51 PolarHBondContact O-N 3.06Å; E49-I51 VanDerWaalsContact C-N 3.34Å; E49-I51 PolarHBondContact O-N 3.47Å; I51-V55 HydrophobicContact CD1-CG2 4.43Å; I51-L93 HydrophobicContact CD1-CD2 4.31Å; I51-L93 HydrophobicContact CG2-CD2 3.43Å; I51-L93 VanDerWaalsContact CG2-CD2 3.43Å; I51-I152 HydrophobicContact CD1-CD1 4.38Å; I51-I152 HydrophobicContact CD1-CG2 4.06Å; I51-Y160 HydrophobicContact CB-CD2 4Å; I51-Y160 HydrophobicContact CB-CE2 3.67Å; I51-Y160 HydrophobicContact CG1-CD2 4.42Å; I51-Y160 HydrophobicContact CG2-CD1 4.47Å; I51-Y160 HydrophobicContact CG2-CD2 3.61Å; I51-Y160 HydrophobicContact CG2-CE1 4.15Å; I51-Y160 HydrophobicContact CG2-CE2 3.23Å; I51-Y160 HydrophobicContact CG2-CG 4.22Å
52Q92.1Very high92.2Very high106 Ų10628.9 Ų28.950%0.49514%0.144SC..Iπ-helixtrans-71.2-43.4-175.3-74.5176.53.600112.8D48 E49 Y160D48-Q52 WeakPolarHBondContact O-CB 3.48Å; D48-Q52 VanDerWaalsContact O-CG 3.31Å; D48-Q52 WeakPolarHBondContact O-CG 3.38Å; D48-Q52 PolarHBondContact O-N 3.37Å; E49-Q52 PolarHBondContact O-N 2.82Å; Q52-Y160 HydrophobicContact CG-CE2 3.99Å; Q52-Y160 WeakPolarHBondContact CG-OH 3.38Å
53M89.8Confident91.7Very high85 Ų8533 Ų3342%0.41917%0.171SC..Iπ-helixtrans-115.8-54.8-172.4-55.5-158.290.800112.4E49 V55 Q56 R57E49-M53 PolarHBondContact O-N 2.85Å; M53-V55 PolarHBondContact O-N 2.91Å; M53-Q56 PolarHBondContact O-N 3.05Å; M53-R57 WeakPolarHBondContact O-CG 3.31Å; M53-R57 PolarHBondContact O-N 3.34Å
54S90.3Very high91.5Very high13 Ų1336.1 Ų36.19%0.09119%0.192CC..Iπ-helixtrans-62.7-42.1-168.4-730000113.3E49 F50 I58E49-S54 PolarHBondContact O-N 3.16Å; E49-S54 PolarHBondContact OE1-OG 3.31Å; E49-S54 PolarHBondContact OE2-OG 3.44Å; E49-S54 VanDerWaalsContact OE2-OG 3.07Å; F50-S54 WeakPolarHBondContact O-CB 3.49Å; F50-S54 PolarHBondContact O-N 3.07Å; S54-I58 WeakPolarHBondContact O-CB 3.3Å; S54-I58 WeakPolarHBondContact O-CD1 3.23Å; S54-I58 WeakPolarHBondContact O-CG1 3.45Å; S54-I58 PolarHBondContact O-N 3.41Å
55V92.4Very high91.2Very high1 Ų136 Ų361%0.00619%0.191CC..Hα-helixtrans-64-45178.8178.40000111F50 I51 M53 I58 V59 I91 F404F50-V55 HydrophobicContact CD1-CG2 4.39Å; F50-V55 HydrophobicContact CD2-CG2 4.04Å; F50-V55 HydrophobicContact CE1-CG2 3.89Å; F50-V55 HydrophobicContact CE2-CG2 3.47Å; F50-V55 VanDerWaalsContact CE2-CG2 3.47Å; F50-V55 HydrophobicContact CG-CG2 4.47Å; F50-V55 HydrophobicContact CZ-CG2 3.39Å; F50-V55 WeakPolarHBondContact O-CG2 3.38Å; F50-V55 PolarHBondContact O-N 3.21Å; I51-V55 HydrophobicContact CD1-CG2 4.43Å; M53-V55 PolarHBondContact O-N 2.91Å; V55-I58 PolarHBondContact O-N 2.92Å; V55-V59 WeakPolarHBondContact O-CG2 3.5Å; V55-V59 PolarHBondContact O-N 3.46Å; V55-I91 HydrophobicContact CB-CD1 3.71Å; V55-I91 HydrophobicContact CG1-CD1 3.4Å; V55-F404 HydrophobicContact CG1-CD1 4.4Å; V55-F404 HydrophobicContact CG1-CE1 3.74Å; V55-F404 HydrophobicContact CG1-CZ 3.82Å
56Q92.8Very high90.9Very high17 Ų1738.2 Ų38.28%0.07920%0.203CC..Hα-helixtrans-60.3-50.4179-177.759.637.100110.4M53 I58 V59 E60 E89 I91M53-Q56 PolarHBondContact O-N 3.05Å; Q56-I58 VanDerWaalsContact C-N 3.31Å; Q56-I58 PolarHBondContact O-N 3.21Å; Q56-V59 PolarHBondContact O-N 3.07Å; Q56-V59 VanDerWaalsContact O-N 3.08Å; Q56-E60 PolarHBondContact NE2-OE1 3.45Å; Q56-E60 PolarHBondContact O-N 3.44Å; Q56-E89 PolarHBondContact NE2-O 3.22Å; Q56-I91 HydrophobicContact CB-CD1 4.15Å; Q56-I91 VanDerWaalsContact OE1-CG1 3.24Å
57R88.6Confident90.5Very high51 Ų5138.2 Ų38.219%0.19220%0.203CC..Hα-helixtrans-60-37.9178.2-71.5-179.1-177.7155.43.5113M53 V59 E60 D61M53-R57 WeakPolarHBondContact O-CG 3.31Å; M53-R57 PolarHBondContact O-N 3.34Å; R57-V59 VanDerWaalsContact C-N 3.29Å; R57-V59 PolarHBondContact O-N 3.17Å; R57-E60 PolarHBondContact O-N 3.35Å; R57-D61 VanDerWaalsContact O-CB 3.24Å; R57-D61 WeakPolarHBondContact O-CB 3.44Å; R57-D61 PolarHBondContact O-N 3.15Å
58I90.5Very high89.9Confident10 Ų1042.7 Ų42.75%0.05122%0.223CC..Hα-helixtrans-65.2-35.6178-73163.7000111.4S54 V55 Q56 A62 A401 F404 R405S54-I58 WeakPolarHBondContact O-CB 3.3Å; S54-I58 WeakPolarHBondContact O-CD1 3.23Å; S54-I58 WeakPolarHBondContact O-CG1 3.45Å; S54-I58 PolarHBondContact O-N 3.41Å; V55-I58 PolarHBondContact O-N 2.92Å; Q56-I58 VanDerWaalsContact C-N 3.31Å; Q56-I58 PolarHBondContact O-N 3.21Å; I58-A62 PolarHBondContact O-N 3.43Å; I58-A401 HydrophobicContact CD1-CB 4.05Å; I58-F404 HydrophobicContact CB-CD1 4.43Å; I58-F404 HydrophobicContact CD1-CD1 4.2Å; I58-F404 HydrophobicContact CG2-CD1 3.95Å; I58-F404 HydrophobicContact CG2-CE1 4.09Å; I58-R405 HydrophobicContact CD1-CB 4.26Å; I58-R405 HydrophobicContact CG2-CB 4.05Å; I58-R405 HydrophobicContact CG2-CG 4.2Å
59V91.3Very high89.1Confident2 Ų243.3 Ų43.31%0.01223%0.23CC..Hα-helixtrans-71.5-41.6177.6173.90000110.5V55 Q56 R57 A62 F88 I91 V126 F404 F408V55-V59 WeakPolarHBondContact O-CG2 3.5Å; V55-V59 PolarHBondContact O-N 3.46Å; Q56-V59 PolarHBondContact O-N 3.07Å; Q56-V59 VanDerWaalsContact O-N 3.08Å; R57-V59 VanDerWaalsContact C-N 3.29Å; R57-V59 PolarHBondContact O-N 3.17Å; V59-A62 WeakPolarHBondContact O-CB 3.48Å; V59-A62 PolarHBondContact O-N 3.39Å; V59-F88 HydrophobicContact CG1-CB 3.59Å; V59-I91 HydrophobicContact CB-CG2 4.28Å; V59-I91 HydrophobicContact CG1-CG2 4.44Å; V59-I91 HydrophobicContact CG2-CG2 3.9Å; V59-V126 HydrophobicContact CG1-CG2 4.09Å; V59-F404 HydrophobicContact CG2-CE1 4.37Å; V59-F408 HydrophobicContact CB-CE1 4.41Å; V59-F408 HydrophobicContact CB-CZ 4.39Å; V59-F408 HydrophobicContact CG1-CE1 4.45Å; V59-F408 HydrophobicContact CG1-CZ 4.1Å; V59-F408 HydrophobicContact CG2-CE1 4.15Å; V59-F408 HydrophobicContact CG2-CE2 4.3Å; V59-F408 HydrophobicContact CG2-CZ 3.97Å
60E88.5Confident88.1Confident114 Ų11447.6 Ų47.653%0.53325%0.25SS..Hα-helixtrans-70.5-37.2177.7-68.9172.6175.300113.8Q56 R57 A62Q56-E60 PolarHBondContact NE2-OE1 3.45Å; Q56-E60 PolarHBondContact O-N 3.44Å; R57-E60 PolarHBondContact O-N 3.35Å; E60-A62 PolarHBondContact O-N 3.09Å
61D85Confident86.5Confident79 Ų7952.2 Ų52.242%0.42229%0.289SS..SBendtrans-68.8-16.9176.3-177.959.6000112.3R57R57-D61 VanDerWaalsContact O-CB 3.24Å; R57-D61 WeakPolarHBondContact O-CB 3.44Å; R57-D61 PolarHBondContact O-N 3.15Å
62A83.2Confident84.6Confident18 Ų1858.3 Ų58.315%0.14932%0.317CS..SBendtrans-69.4128178.600000110.5I58 V59 E60 F408 L412I58-A62 PolarHBondContact O-N 3.43Å; V59-A62 WeakPolarHBondContact O-CB 3.48Å; V59-A62 PolarHBondContact O-N 3.39Å; E60-A62 PolarHBondContact O-N 3.09Å; A62-F408 HydrophobicContact CB-CD1 4.32Å; A62-F408 HydrophobicContact CB-CE1 3.81Å; A62-L412 HydrophobicContact CB-CD1 3.69Å
63P84.1Confident82.6Confident94 Ų9462.8 Ų62.861%0.6134%0.337SS*.PPolyproline II helixtrans-63141.6-179.826.2-33.9000110.3I65P63-I65 PolarHBondContact O-N 3.3Å
64P89.5Confident80.6Confident70 Ų7064.8 Ų64.846%0.45536%0.355SS..PPolyproline II helixtrans-53.6140.1171.9-25.434.2000111D66 L85 L86P64-D66 PolarHBondContact O-N 2.97Å; P64-L85 HydrophobicContact CB-CD1 3.61Å; P64-L85 HydrophobicContact CB-CG 4.4Å; P64-L86 WeakPolarHBondContact CA-O 3.05Å
65I89.2Confident78.8Confident15 Ų1570.7 Ų70.78%0.07740%0.396CS..EExtended strand (participates in β ladder)trans-82.1114.4175.7-54.4175000107.1P63 L67 L85 L86 F88 L412 I415 R416P63-I65 PolarHBondContact O-N 3.3Å; I65-L67 HydrophobicContact CG2-CD1 4.14Å; I65-L67 HydrophobicContact CG2-CD2 4.39Å; I65-L67 HydrophobicContact CG2-CG 3.97Å; I65-L85 WeakPolarHBondContact O-CA 3.2Å; I65-L86 HydrophobicContact CB-CB 4.26Å; I65-L86 PolarHBondContact N-O 3.37Å; I65-L86 PolarHBondContact O-N 3Å; I65-F88 HydrophobicContact CD1-CE2 4.26Å; I65-L412 HydrophobicContact CD1-CB 4.14Å; I65-L412 HydrophobicContact CD1-CD2 3.79Å; I65-L412 HydrophobicContact CG1-CD2 4.31Å; I65-I415 HydrophobicContact CD1-CB 4.28Å; I65-I415 HydrophobicContact CD1-CG2 4.01Å; I65-R416 HydrophobicContact CG2-CB 4.12Å; I65-R416 HydrophobicContact CG2-CG 4.05Å
66D89.6Confident76.9Confident74 Ų7472.7 Ų72.740%0.39642%0.417SS..EExtended strand (participates in β ladder)trans-103.2131.1170.574.2-26.6000111.4P64 R83 Y84 L85P64-D66 PolarHBondContact O-N 2.97Å; D66-R83 IonicContact OD2-CZ 3.31Å; D66-R83 IonicContact OD2-NH2 3.9Å; D66-R83 PolarHBondContact OD2-NH2 2.86Å; D66-Y84 WeakPolarHBondContact CA-O 3.47Å; D66-L85 HydrophobicContact CB-CD1 4.27Å
67L86.9Confident74.9Confident5 Ų581.5 Ų81.53%0.02646%0.458CS..EExtended strand (participates in β ladder)trans-134139.1-178.2-66.6171.6000110I65 R83 Y84 R416 A419 Q420 I423I65-L67 HydrophobicContact CG2-CD1 4.14Å; I65-L67 HydrophobicContact CG2-CD2 4.39Å; I65-L67 HydrophobicContact CG2-CG 3.97Å; L67-R83 WeakPolarHBondContact O-CA 3.5Å; L67-Y84 PolarHBondContact N-O 2.95Å; L67-Y84 PolarHBondContact O-N 3.34Å; L67-R416 HydrophobicContact CD2-CG 3.46Å; L67-R416 VanDerWaalsContact CD2-CG 3.46Å; L67-R416 HydrophobicContact CG-CG 4.41Å; L67-A419 HydrophobicContact CD1-CB 3.32Å; L67-Q420 VanDerWaalsContact CD2-OE1 3.32Å; L67-I423 HydrophobicContact CB-CD1 3.64Å; L67-I423 HydrophobicContact CD1-CD1 3.92Å; L67-I423 HydrophobicContact CG-CD1 4.41Å
68Q84.8Confident73.3Confident94 Ų9484.3 Ų84.344%0.43948%0.48SS..EExtended strand (participates in β ladder)trans-137.2145.8174-169.2173.124.700107.6P81 Q420Q68-P81 HydrophobicContact CG-CB 4.07Å; Q68-P81 HydrophobicContact CG-CG 3.71Å; Q68-P81 PolarHBondContact NE2-O 3.12Å; Q68-P81 VanDerWaalsContact NE2-O 3.14Å; Q68-Q420 PolarHBondContact O-NE2 3.03Å
69A78.3Confident71.6Confident24 Ų2493.3 Ų93.320%0.19852%0.522CS..  trans-63.2142.4177.600000110.5A71 P81 I423A69-A71 PolarHBondContact O-N 3.25Å; A69-P81 HydrophobicContact CB-CB 3.87Å; A69-I423 HydrophobicContact CB-CG2 3.65Å
70E73.8Confident70.3Confident119 Ų11998.2 Ų98.256%0.55655%0.545SS*.  trans-65.7128.1171.1-69.4-163.4170.900110.1Q72 D424E70-Q72 HydrophobicContact CB-CG 4.23Å; E70-Q72 PolarHBondContact O-N 3.46Å; E70-Q72 PolarHBondContact OE2-NE2 2.67Å; E70-D424 PolarHBondContact N-OD1 2.78Å
71A61.1Low69.6Low99 Ų9994.3 Ų94.382%0.81853%0.529SS*.  trans-71.576.9174.400000110.3A69A69-A71 PolarHBondContact O-N 3.25Å
72Q54Low69.4Low135 Ų13592.4 Ų92.463%0.63152%0.521SS*.  trans-98.4106.8172.4-66.2-171.910.400109.5E70 T74E70-Q72 HydrophobicContact CB-CG 4.23Å; E70-Q72 PolarHBondContact O-N 3.46Å; E70-Q72 PolarHBondContact OE2-NE2 2.67Å; Q72-T74 PolarHBondContact O-N 3.45Å; Q72-T74 VanDerWaalsContact O-N 3.11Å
73H49.9Very low69.5Low200 Ų20097 Ų9793%0.92654%0.535SS*.  trans24.472159.3-61-66.8000117
74T49.1Very low69.7Low127 Ų12793.6 Ų93.678%0.77951%0.51SS*.  trans-114.4113.3154.8-33.10000107Q72 G76Q72-T74 PolarHBondContact O-N 3.45Å; Q72-T74 VanDerWaalsContact O-N 3.11Å; T74-G76 PolarHBondContact O-N 3.25Å
75S52.5Low69.8Low137 Ų13792.8 Ų92.896%0.95850%0.502SS*.  trans-72.743.6-177.549.90000112.9
76G52.9Low69.9Low43 Ų4392.1 Ų92.144%0.44350%0.498SS..SBendtrans-164.5111.4-17800000112.4T74 V78T74-G76 PolarHBondContact O-N 3.25Å; G76-V78 PolarHBondContact O-N 2.98Å; G76-V78 VanDerWaalsContact O-N 3.12Å
77E50.5Low70Confident202 Ų20293.8 Ų93.894%0.94450%0.502SS*.SBendtrans40.649.7146.2-60.3-175169.600119.7
78V53.8Low70.3Confident109 Ų10994.2 Ų94.266%0.66150%0.504SS*.  trans-128.590.5149.8-170.80000107.2G76 E80G76-V78 PolarHBondContact O-N 2.98Å; G76-V78 VanDerWaalsContact O-N 3.12Å; V78-E80 WeakPolarHBondContact CG1-O 3.44Å; V78-E80 PolarHBondContact O-N 3.05Å
79E55.7Low70.6Confident199 Ų19992.3 Ų92.393%0.9350%0.495SS*.SBendtrans-66.4-27-175.7-136.1171.1-177.900111.5
80E64.6Low71.3Confident105 Ų10595.5 Ų95.549%0.49151%0.505SS..SBendtrans-135.4118.3173.3-64.3-148.7160.700113.4V78 E135V78-E80 WeakPolarHBondContact CG1-O 3.44Å; V78-E80 PolarHBondContact O-N 3.05Å; E80-E135 HydrophobicContact CB-CG 4.22Å; E80-E135 HydrophobicContact CG-CG 4.42Å; E80-E135 VanDerWaalsContact OE2-CG 3.31Å; E80-E135 WeakPolarHBondContact OE2-CG 3.4Å
81P74Confident72.3Confident32 Ų3290.6 Ų90.621%0.20848%0.483CS..PPolyproline II helixtrans-70.7145.9175.417-19.6000112.2Q68 A69 R83Q68-P81 HydrophobicContact CG-CB 4.07Å; Q68-P81 HydrophobicContact CG-CG 3.71Å; Q68-P81 PolarHBondContact NE2-O 3.12Å; Q68-P81 VanDerWaalsContact NE2-O 3.14Å; A69-P81 HydrophobicContact CB-CB 3.87Å; P81-R83 PolarHBondContact O-N 3.05Å
82P79.3Confident73.9Confident39 Ų3989.8 Ų89.825%0.25346%0.459SS..PPolyproline II helixtrans-57.9134.8-177.523.4-34000111.8Y84 K134P82-Y84 HydrophobicContact CB-CE2 3.99Å; P82-Y84 HydrophobicContact CG-CE2 4.04Å; P82-K134 HydrophobicContact CB-CG 3.96Å
83R86.1Confident75.8Confident114 Ų11485.1 Ų85.143%0.4344%0.438SS..EExtended strand (participates in β ladder)trans-100129.7178.7-170.4178.5-176.9-172.12.6110.3D66 L67 P81 I133D66-R83 IonicContact OD2-CZ 3.31Å; D66-R83 IonicContact OD2-NH2 3.9Å; D66-R83 PolarHBondContact OD2-NH2 2.86Å; L67-R83 WeakPolarHBondContact O-CA 3.5Å; P81-R83 PolarHBondContact O-N 3.05Å; R83-I133 HydrophobicContact CB-CB 4.41Å; R83-I133 PolarHBondContact N-O 2.63Å; R83-I133 PolarHBondContact O-N 2.8Å
84Y87.9Confident77.9Confident24 Ų2477.9 Ų77.99%0.09441%0.41CS..EExtended strand (participates in β ladder)trans-110.5128.6177.8-61.5-98.6000109.4D66 L67 P82 I132 I423 F429D66-Y84 WeakPolarHBondContact CA-O 3.47Å; L67-Y84 PolarHBondContact N-O 2.95Å; L67-Y84 PolarHBondContact O-N 3.34Å; P82-Y84 HydrophobicContact CB-CE2 3.99Å; P82-Y84 HydrophobicContact CG-CE2 4.04Å; Y84-I132 HydrophobicContact CD1-CD1 4.3Å; Y84-I132 HydrophobicContact CD1-CG1 3.84Å; Y84-I132 HydrophobicContact CD1-CG2 4.3Å; Y84-I132 HydrophobicContact CE1-CD1 3.93Å; Y84-I132 HydrophobicContact CE1-CG1 3.92Å; Y84-I132 HydrophobicContact CE1-CG2 3.99Å; Y84-I423 HydrophobicContact CD2-CD1 3.56Å; Y84-I423 HydrophobicContact CD2-CG1 3.93Å; Y84-I423 HydrophobicContact CD2-CG2 4.4Å; Y84-I423 HydrophobicContact CE2-CD1 4.04Å; Y84-I423 HydrophobicContact CE2-CG1 3.86Å; Y84-I423 HydrophobicContact CE2-CG2 4.1Å; Y84-I423 HydrophobicContact CG-CD1 3.99Å; Y84-F429 AromaticContact CD1-CE1 3.98Å; Y84-F429 HydrophobicContact CD1-CE1 3.98Å; Y84-F429 HydrophobicContact CE1-CE1 4.49Å; Y84-F429 HydrophobicContact CG-CE1 4.33Å
85L91Very high80.1Confident53 Ų5378.2 Ų78.228%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-117.5126.8175.5-173.769.6000109.5P64 I65 D66 K130 T131P64-L85 HydrophobicContact CB-CD1 3.61Å; P64-L85 HydrophobicContact CB-CG 4.4Å; I65-L85 WeakPolarHBondContact O-CA 3.2Å; D66-L85 HydrophobicContact CB-CD1 4.27Å; L85-K130 WeakPolarHBondContact O-CA 3.46Å; L85-T131 PolarHBondContact N-O 3.33Å; L85-T131 PolarHBondContact O-N 3.4Å
86L91.4Very high82.2Confident1 Ų171.8 Ų71.81%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-114.3125.2172.8-61.9172.3000109.8P64 I65 T129 K130 I415 F429 L431P64-L86 WeakPolarHBondContact CA-O 3.05Å; I65-L86 HydrophobicContact CB-CB 4.26Å; I65-L86 PolarHBondContact N-O 3.37Å; I65-L86 PolarHBondContact O-N 3Å; L86-T129 WeakPolarHBondContact CA-O 3.49Å; L86-K130 HydrophobicContact CD2-CB 3.76Å; L86-K130 HydrophobicContact CD2-CD 4.41Å; L86-K130 HydrophobicContact CD2-CG 3.78Å; L86-I415 HydrophobicContact CD1-CG2 3.99Å; L86-F429 HydrophobicContact CD1-CE2 4.2Å; L86-F429 HydrophobicContact CD1-CZ 4.09Å; L86-F429 HydrophobicContact CD2-CZ 4.25Å; L86-F429 HydrophobicContact CG-CZ 4.47Å; L86-L431 HydrophobicContact CD1-CD1 4.32Å; L86-L431 HydrophobicContact CD2-CD1 4.23Å
87K92.5Very high84.1Confident109 Ų10970.9 Ų70.947%0.47434%0.342SS..EExtended strand (participates in β ladder)trans-122.7139.9175.4-176.8-175.8-178.8-167.80109.9I128 T129K87-I128 WeakPolarHBondContact O-CA 3.41Å; K87-T129 WeakPolarHBondContact CB-OG1 3.27Å; K87-T129 PolarHBondContact N-O 3.28Å; K87-T129 PolarHBondContact O-N 3.1Å; K87-T129 PolarHBondContact O-OG1 3.38Å
88F92.3Very high86.1Confident14 Ų1462.2 Ų62.26%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-107.5136.7177.3-61.5-96.6000108.3V59 I65 V126 I128 F408 L412 I415V59-F88 HydrophobicContact CG1-CB 3.59Å; I65-F88 HydrophobicContact CD1-CE2 4.26Å; F88-V126 HydrophobicContact CB-CG2 4.33Å; F88-V126 HydrophobicContact CD1-CG1 4.09Å; F88-V126 HydrophobicContact CD1-CG2 4.39Å; F88-I128 HydrophobicContact CD1-CD1 4.04Å; F88-I128 HydrophobicContact CD1-CG1 3.74Å; F88-I128 HydrophobicContact CD1-CG2 4.38Å; F88-I128 HydrophobicContact CE1-CD1 3.61Å; F88-I128 HydrophobicContact CE1-CG1 3.82Å; F88-I128 HydrophobicContact CE1-CG2 4.23Å; F88-F408 HydrophobicContact CD1-CZ 4.4Å; F88-F408 HydrophobicContact CG-CZ 4.35Å; F88-L412 HydrophobicContact CD2-CD2 3.9Å; F88-L412 HydrophobicContact CE2-CD2 3.25Å; F88-L412 HydrophobicContact CZ-CD2 3.63Å; F88-I415 HydrophobicContact CZ-CD1 4.04Å
89E91.6Very high87.7Confident54 Ų5461.3 Ų61.325%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-121.6-121.3-171.6-64.3175.4177.100110.7Q56 D127 T129 Q143Q56-E89 PolarHBondContact NE2-O 3.22Å; E89-D127 HydrophobicContact CB-CB 4.34Å; E89-D127 PolarHBondContact N-O 3.09Å; E89-T129 VanDerWaalsContact OE1-CG2 3.29Å; E89-T129 WeakPolarHBondContact OE1-CG2 3.31Å; E89-T129 PolarHBondContact OE1-OG1 3.19Å; E89-Q143 PolarHBondContact OE2-NE2 2.89Å
90Q93.9Very high89Confident90 Ų9054.9 Ų54.942%0.42126%0.256SS..EExtended strand (participates in β ladder)trans-71.2136.5-174.8-173.562.432.400111.8Y92 V126 D127Q90-Y92 HydrophobicContact CB-CE2 4.39Å; Q90-Y92 HydrophobicContact CG-CE1 4.06Å; Q90-Y92 HydrophobicContact CG-CE2 4.28Å; Q90-V126 WeakPolarHBondContact O-CA 3.42Å; Q90-D127 PolarHBondContact O-N 3.37Å
91I94.4Very high89.8Confident17 Ų1758.9 Ų58.99%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-90.7149.6168.878.3-174.5000111.2V55 Q56 V59 L124 Y125 V126V55-I91 HydrophobicContact CB-CD1 3.71Å; V55-I91 HydrophobicContact CG1-CD1 3.4Å; Q56-I91 HydrophobicContact CB-CD1 4.15Å; Q56-I91 VanDerWaalsContact OE1-CG1 3.24Å; V59-I91 HydrophobicContact CB-CG2 4.28Å; V59-I91 HydrophobicContact CG1-CG2 4.44Å; V59-I91 HydrophobicContact CG2-CG2 3.9Å; I91-L124 HydrophobicContact CB-CD1 4.27Å; I91-L124 HydrophobicContact CD1-CD1 4.5Å; I91-Y125 CarbonylContact C-O 3.47Å; I91-Y125 WeakPolarHBondContact CA-O 3.33Å; I91-V126 HydrophobicContact CG2-CG2 4.26Å
92Y95Very high90.1Very high82 Ų8264.8 Ų64.832%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-128.5127.9168.4-49.8-88.9000109.8Q90 Y125 D127 K146Q90-Y92 HydrophobicContact CB-CE2 4.39Å; Q90-Y92 HydrophobicContact CG-CE1 4.06Å; Q90-Y92 HydrophobicContact CG-CE2 4.28Å; Y92-Y125 PolarHBondContact N-O 3.08Å; Y92-Y125 PolarHBondContact O-N 3.13Å; Y92-D127 WeakPolarHBondContact CE2-OD1 3.21Å; Y92-D127 VanDerWaalsContact CE2-OD2 3.23Å; Y92-D127 WeakPolarHBondContact CE2-OD2 3.35Å; Y92-D127 PolarHBondContact OH-OD2 3.3Å; Y92-K146 HydrophobicContact CD2-CG 4.06Å; Y92-K146 HydrophobicContact CE2-CG 4.19Å
93L94.2Very high90.2Very high36 Ų3665.2 Ų65.219%0.18831%0.308CS..EExtended strand (participates in β ladder)trans-107.8125.5173.5-173.269.6000109I51 A122 L124 I154 Y160I51-L93 HydrophobicContact CD1-CD2 4.31Å; I51-L93 HydrophobicContact CG2-CD2 3.43Å; I51-L93 VanDerWaalsContact CG2-CD2 3.43Å; L93-A122 HydrophobicContact CD1-CB 3.99Å; L93-A122 HydrophobicContact CG-CB 4.36Å; L93-L124 HydrophobicContact CB-CD1 4.41Å; L93-L124 HydrophobicContact CD1-CB 4.35Å; L93-L124 HydrophobicContact CD1-CD1 4.08Å; L93-I154 HydrophobicContact CD2-CD1 4.01Å; L93-Y160 HydrophobicContact CD2-CD1 3.94Å; L93-Y160 HydrophobicContact CD2-CE1 4.4Å; L93-Y160 HydrophobicContact CD2-CG 3.99Å
94S94.4Very high90.4Very high48 Ų4862.5 Ų62.534%0.33631%0.31SS..PPolyproline II helixtrans-80.2172.9173-1660000111.4A122 P123S94-A122 WeakPolarHBondContact O-CB 3.44Å; S94-P123 PolarHBondContact N-O 3.3Å; S94-P123 VanDerWaalsContact N-O 3.08Å
95K94.1Very high90.5Very high135 Ų13565.6 Ų65.659%0.58733%0.333SS*.PPolyproline II helixtrans-70.4159.4163.3-75.4177.7165.6-1680110.4T97 L162K95-T97 PolarHBondContact O-N 3Å; K95-L162 HydrophobicContact CB-CD2 4.05Å; K95-L162 HydrophobicContact CD-CD2 3.7Å; K95-L162 HydrophobicContact CG-CD2 4.19Å
96P96.3Very high90.6Very high1 Ų164.9 Ų64.91%0.00633%0.332CS..PPolyproline II helixtrans-56119.4177.2-29.738.5000112.9M108 Y120 A122 I154P96-M108 PolarHBondContact O-N 3.02Å; P96-M108 VanDerWaalsContact O-N 3.09Å; P96-Y120 HydrophobicContact CB-CD2 4.26Å; P96-Y120 HydrophobicContact CB-CE1 4.22Å; P96-Y120 HydrophobicContact CB-CE2 3.71Å; P96-Y120 HydrophobicContact CG-CE1 3.76Å; P96-Y120 HydrophobicContact CG-CE2 4.09Å; P96-A122 HydrophobicContact CG-CB 4.42Å; P96-I154 HydrophobicContact CG-CB 4.24Å; P96-I154 HydrophobicContact CG-CG1 4.09Å; P96-I154 HydrophobicContact CG-CG2 4.34Å
97T93.4Very high90.7Very high25 Ų2568.7 Ų68.715%0.15336%0.357CS..EExtended strand (participates in β ladder)trans-125.2141.6-178.6500000111.5K95 W99 S106 P123K95-T97 PolarHBondContact O-N 3Å; T97-W99 VanDerWaalsContact O-CZ3 3.3Å; T97-W99 WeakPolarHBondContact O-CZ3 2.78Å; T97-W99 WeakPolarHBondContact OG1-CH2 3.16Å; T97-W99 VanDerWaalsContact OG1-CZ3 3.3Å; T97-W99 WeakPolarHBondContact OG1-CZ3 3.44Å; T97-S106 WeakPolarHBondContact CA-O 3.38Å; T97-P123 WeakPolarHBondContact OG1-CD 3.34Å
98H92Very high90.8Very high20 Ų2063.7 Ų63.79%0.09334%0.336CS..EExtended strand (participates in β ladder)trans-104.6147.3167.9-169.442.8000109.4E100 P105 S106 M108 R116H98-E100 IonicContact CD2-OE1 3.68Å; H98-E100 PolarHBondContact CD2-OE1 3.08Å; H98-E100 VanDerWaalsContact CD2-OE1 3.32Å; H98-E100 IonicContact NE2-OE1 3.7Å; H98-E100 IonicContact NE2-OE2 3.44Å; H98-P105 CarbonylContact O-C 3.54Å; H98-P105 VanDerWaalsContact O-CA 3.27Å; H98-P105 WeakPolarHBondContact O-CA 3.36Å; H98-S106 PolarHBondContact N-O 2.88Å; H98-S106 PolarHBondContact O-N 2.85Å; H98-M108 HydrophobicContact CB-CB 4.24Å; H98-M108 HydrophobicContact CB-CE 3.55Å; H98-M108 HydrophobicContact CB-CG 4.49Å; H98-R116 PolarHBondContact NE2-NH2 3.27Å
99W87.9Confident91Very high89 Ų8966 Ų6634%0.33735%0.347SS..EExtended strand (participates in β ladder)trans-115117.8170.4-70.5-99.5000106.3T97 P123 K151T97-W99 VanDerWaalsContact O-CZ3 3.3Å; T97-W99 WeakPolarHBondContact O-CZ3 2.78Å; T97-W99 WeakPolarHBondContact OG1-CH2 3.16Å; T97-W99 VanDerWaalsContact OG1-CZ3 3.3Å; T97-W99 WeakPolarHBondContact OG1-CZ3 3.44Å; W99-P123 HydrophobicContact CH2-CB 3.85Å; W99-P123 HydrophobicContact CH2-CG 3.74Å; W99-P123 HydrophobicContact CZ2-CG 4.42Å; W99-K151 HydrophobicContact CZ3-CD 4.34Å
100E83.3Confident91.2Very high64 Ų6463.5 Ų63.530%0.29934%0.336SS..  trans-73.7168.2172.9-69.5-65.4173.700110.5H98 D102 G103 A104 R116H98-E100 IonicContact CD2-OE1 3.68Å; H98-E100 PolarHBondContact CD2-OE1 3.08Å; H98-E100 VanDerWaalsContact CD2-OE1 3.32Å; H98-E100 IonicContact NE2-OE1 3.7Å; H98-E100 IonicContact NE2-OE2 3.44Å; E100-D102 PolarHBondContact O-N 2.85Å; E100-G103 WeakPolarHBondContact O-CA 3.24Å; E100-G103 PolarHBondContact O-N 3.4Å; E100-A104 PolarHBondContact N-O 3.41Å; E100-R116 IonicContact OE1-CZ 2.72Å; E100-R116 IonicContact OE1-NH1 3.99Å; E100-R116 PolarHBondContact OE1-NH1 3.1Å; E100-R116 IonicContact OE1-NH2 3.76Å; E100-R116 PolarHBondContact OE1-NH2 3.5Å; E100-R116 IonicContact OE2-NH1 2.75Å; E100-R116 IonicContact OE2-NH2 2.7Å; E100-R116 PolarHBondContact OE2-NH2 3.38Å; E100-R116 VanDerWaalsContact OE2-NH2 3.09Å
101R80.5Confident91.3Very high190 Ų19060 Ų6072%0.71732%0.32SS*.THydrogen-bonded Turntrans-58.1-29.8178.9-114.3-171-173.2-177.17.2113.3G103 E914R101-G103 PolarHBondContact O-N 3.45Å; R101-E914 PolarHBondContact NH2-O 3.18Å
102D80.6Confident91.3Very high155 Ų15562 Ų6283%0.82933%0.329SS*.THydrogen-bonded Turntrans-71.6-3.6177.4-54.2-29.3000112.4E100 A104E100-D102 PolarHBondContact O-N 2.85Å; D102-A104 PolarHBondContact O-N 3.16Å
103G82.2Confident91.4Very high48 Ų4858 Ų5850%0.49531%0.313SS..SBendtrans84.3-8.4179.800000114E100 R101E100-G103 WeakPolarHBondContact O-CA 3.24Å; E100-G103 PolarHBondContact O-N 3.4Å; R101-G103 PolarHBondContact O-N 3.45Å
104A88.8Confident91.4Very high57 Ų5756.9 Ų56.947%0.47131%0.307SS..  trans-69.8128.5178.700000111.5E100 D102E100-A104 PolarHBondContact N-O 3.41Å; D102-A104 PolarHBondContact O-N 3.16Å
105P91.7Very high91.5Very high90 Ų9056.2 Ų56.258%0.58430%0.299SS*.EExtended strand (participates in β ladder)trans-80.8137.6173.231.9-32.6000111.1H98H98-P105 CarbonylContact O-C 3.54Å; H98-P105 VanDerWaalsContact O-CA 3.27Å; H98-P105 WeakPolarHBondContact O-CA 3.36Å
106S92.2Very high91.5Very high37 Ų3750.8 Ų50.826%0.25928%0.275SS..EExtended strand (participates in β ladder)trans-128.7151.1172.261.10000110.9T97 H98 M108T97-S106 WeakPolarHBondContact CA-O 3.38Å; H98-S106 PolarHBondContact N-O 2.88Å; H98-S106 PolarHBondContact O-N 2.85Å; S106-M108 PolarHBondContact O-N 2.81Å
107P94.2Very high91.4Very high81 Ų8152 Ų5253%0.52628%0.281SS..EExtended strand (participates in β ladder)trans-65.1127.6171.227.8-33000109.1L162P107-L162 HydrophobicContact CB-CD1 4.14Å
108M94.8Very high91.5Very high5 Ų550.9 Ų50.93%0.02527%0.274CS..PPolyproline II helixtrans-84.3123.1-178.3-173.4-178.9-66.700109.7P96 H98 S106 A113 L118 Y120 L162P96-M108 PolarHBondContact O-N 3.02Å; P96-M108 VanDerWaalsContact O-N 3.09Å; H98-M108 HydrophobicContact CB-CB 4.24Å; H98-M108 HydrophobicContact CB-CE 3.55Å; H98-M108 HydrophobicContact CB-CG 4.49Å; S106-M108 PolarHBondContact O-N 2.81Å; M108-A113 HydrophobicContact CG-CB 4.25Å; M108-A113 HydrophobicContact SD-CB 3.88Å; M108-L118 HydrophobicContact CE-CB 4.32Å; M108-L118 HydrophobicContact CE-CD1 4.07Å; M108-L118 HydrophobicContact SD-CB 4.32Å; M108-L118 HydrophobicContact SD-CD1 4.49Å; M108-Y120 HydrophobicContact CB-CD2 4.49Å; M108-Y120 HydrophobicContact CG-CD2 4.08Å; M108-Y120 HydrophobicContact CG-CE2 4.49Å; M108-Y120 VanDerWaalsContact O-CE2 3.31Å; M108-Y120 WeakPolarHBondContact O-CE2 3.45Å; M108-Y120 HydrophobicContact SD-CD2 3.93Å; M108-L162 WeakPolarHBondContact O-CD1 3.35Å
109M95.4Very high91.7Very high61 Ų6150.7 Ų50.730%0.327%0.274SS..PPolyproline II helixtrans-85.3141.1172.3-64.8-59.6172.100111.2N111 E112 A113 L162 L174M109-N111 PolarHBondContact O-N 3.47Å; M109-E112 HydrophobicContact CB-CB 4.18Å; M109-E112 WeakPolarHBondContact O-CB 3.3Å; M109-E112 PolarHBondContact O-N 2.66Å; M109-A113 PolarHBondContact O-N 3.17Å; M109-L162 HydrophobicContact SD-CD1 4.34Å; M109-L174 HydrophobicContact CE-CD2 3.96Å; M109-L174 HydrophobicContact SD-CD1 4.38Å; M109-L174 HydrophobicContact SD-CD2 3.99Å
110P96.5Very high92.2Very high2 Ų246.4 Ų46.41%0.01326%0.258CS..Hα-helixtrans-61.6-40.7-179-2534.8000113.9E112 A113 R114 Y120 L156 L163 I186P110-E112 VanDerWaalsContact C-N 3.33Å; P110-E112 PolarHBondContact O-N 3.17Å; P110-A113 PolarHBondContact O-N 2.9Å; P110-R114 PolarHBondContact O-N 3.41Å; P110-R114 VanDerWaalsContact O-N 3.11Å; P110-Y120 HydrophobicContact CB-CE2 4.36Å; P110-Y120 HydrophobicContact CG-CD2 4.35Å; P110-Y120 HydrophobicContact CG-CE2 3.7Å; P110-L156 HydrophobicContact CB-CD2 3.93Å; P110-L156 HydrophobicContact CB-CG 4.45Å; P110-L163 HydrophobicContact CG-CD1 3.88Å; P110-L163 HydrophobicContact CG-CD2 4.3Å; P110-L163 HydrophobicContact CG-CG 3.99Å; P110-I186 HydrophobicContact CB-CD1 3.89Å
111N96.1Very high92.8Very high17 Ų1744 Ų449%0.09125%0.248CC..Hα-helixtrans-59.6-44175-167.434.4000112M109 A113 R114 L115 E176M109-N111 PolarHBondContact O-N 3.47Å; N111-A113 VanDerWaalsContact C-N 3.35Å; N111-A113 PolarHBondContact O-N 3.17Å; N111-R114 WeakPolarHBondContact O-CB 3.35Å; N111-R114 PolarHBondContact O-N 3.31Å; N111-L115 WeakPolarHBondContact O-CG 3.09Å; N111-L115 PolarHBondContact O-N 3.39Å; N111-E176 WeakPolarHBondContact CB-OE1 3.27Å; N111-E176 PolarHBondContact N-OE1 3.21Å
112E94.7Very high93.6Very high58 Ų5834.9 Ų34.927%0.27121%0.214SC..Hα-helixtrans-61.4-43.5176.1-171.4-169.6168.200111.5M109 P110 R114 L115 R116M109-E112 HydrophobicContact CB-CB 4.18Å; M109-E112 WeakPolarHBondContact O-CB 3.3Å; M109-E112 PolarHBondContact O-N 2.66Å; P110-E112 VanDerWaalsContact C-N 3.33Å; P110-E112 PolarHBondContact O-N 3.17Å; E112-R114 PolarHBondContact O-N 3.16Å; E112-L115 PolarHBondContact O-N 3.04Å; E112-L115 VanDerWaalsContact O-N 3.12Å; E112-R116 HydrophobicContact CG-CG 4.25Å; E112-R116 WeakPolarHBondContact O-CB 3.37Å; E112-R116 PolarHBondContact O-N 3.48Å; E112-R116 WeakPolarHBondContact OE1-CD 3.06Å; E112-R116 IonicContact OE1-CZ 3.72Å; E112-R116 IonicContact OE1-NE 3.54Å; E112-R116 IonicContact OE1-NH1 2.64Å; E112-R116 PolarHBondContact OE1-NH1 2.91Å
113A95.8Very high94.3Very high0 Ų027.6 Ų27.60%018%0.175CC..Hα-helixtrans-59-36.717700000112.3M108 M109 P110 N111 N117 L118 Y120 I186M108-A113 HydrophobicContact CG-CB 4.25Å; M108-A113 HydrophobicContact SD-CB 3.88Å; M109-A113 PolarHBondContact O-N 3.17Å; P110-A113 PolarHBondContact O-N 2.9Å; N111-A113 VanDerWaalsContact C-N 3.35Å; N111-A113 PolarHBondContact O-N 3.17Å; A113-N117 CarbonylContact O-C 3.6Å; A113-N117 PolarHBondContact O-N 3.25Å; A113-L118 HydrophobicContact CB-CB 4.19Å; A113-L118 PolarHBondContact O-N 2.87Å; A113-Y120 HydrophobicContact CB-CD2 4.35Å; A113-I186 HydrophobicContact CB-CG2 4.17Å
114R95.4Very high94.9Very high12 Ų1225.4 Ų25.45%0.04515%0.152CC..Hα-helixtrans-66.6-46.9173.3-70.1-177.3-81.9-139-0.2112.1P110 N111 E112 E176 Y184 I186 E191 K920P110-R114 PolarHBondContact O-N 3.41Å; P110-R114 VanDerWaalsContact O-N 3.11Å; N111-R114 WeakPolarHBondContact O-CB 3.35Å; N111-R114 PolarHBondContact O-N 3.31Å; E112-R114 PolarHBondContact O-N 3.16Å; R114-E176 IonicContact CZ-OE1 2.79Å; R114-E176 IonicContact CZ-OE2 3.7Å; R114-E176 IonicContact NH2-OE1 3.18Å; R114-E176 PolarHBondContact NH2-OE1 3.5Å; R114-E176 IonicContact NH2-OE2 2.72Å; R114-E176 PolarHBondContact NH2-OE2 2.92Å; R114-Y184 PolarHBondContact NH1-OH 3.32Å; R114-I186 HydrophobicContact CG-CD1 3.71Å; R114-I186 HydrophobicContact CG-CG1 4.09Å; R114-I186 HydrophobicContact CG-CG2 4.04Å; R114-E191 WeakPolarHBondContact CD-OE1 3.34Å; R114-E191 IonicContact CZ-OE1 3.85Å; R114-E191 IonicContact NE-OE1 2.78Å; R114-E191 IonicContact NH1-OE1 3.93Å; R114-E191 PolarHBondContact NH1-OE1 3.43Å; R114-K920 PolarHBondContact O-NZ 2.92Å
115L95.3Very high95.3Very high34 Ų3425.6 Ų25.618%0.17814%0.141CC..Hα-helixtrans-66-48.4-177.2-68.9177.9000111.9N111 E112 N117 M744 M908 K920N111-L115 WeakPolarHBondContact O-CG 3.09Å; N111-L115 PolarHBondContact O-N 3.39Å; E112-L115 PolarHBondContact O-N 3.04Å; E112-L115 VanDerWaalsContact O-N 3.12Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 3.45Å; L115-M744 HydrophobicContact CD2-CB 3.92Å; L115-M744 HydrophobicContact CD2-CG 3.66Å; L115-M908 HydrophobicContact CB-SD 3.83Å; L115-M908 HydrophobicContact CD1-SD 4.43Å; L115-M908 HydrophobicContact CD2-SD 4.01Å; L115-M908 HydrophobicContact CG-SD 4.3Å; L115-K920 WeakPolarHBondContact O-CE 3.41Å; L115-K920 PolarHBondContact O-NZ 3.33Å
116R94.3Very high95.4Very high20 Ų2021.3 Ų21.38%0.07511%0.113CC..THydrogen-bonded Turntrans-81.92.2-177.9-66.9-178.567.2-175.73.2115.1H98 E100 E112 L118 T910 L911H98-R116 PolarHBondContact NE2-NH2 3.27Å; E100-R116 IonicContact OE1-CZ 2.72Å; E100-R116 IonicContact OE1-NH1 3.99Å; E100-R116 PolarHBondContact OE1-NH1 3.1Å; E100-R116 IonicContact OE1-NH2 3.76Å; E100-R116 PolarHBondContact OE1-NH2 3.5Å; E100-R116 IonicContact OE2-NH1 2.75Å; E100-R116 IonicContact OE2-NH2 2.7Å; E100-R116 PolarHBondContact OE2-NH2 3.38Å; E100-R116 VanDerWaalsContact OE2-NH2 3.09Å; E112-R116 HydrophobicContact CG-CG 4.25Å; E112-R116 WeakPolarHBondContact O-CB 3.37Å; E112-R116 PolarHBondContact O-N 3.48Å; E112-R116 WeakPolarHBondContact OE1-CD 3.06Å; E112-R116 IonicContact OE1-CZ 3.72Å; E112-R116 IonicContact OE1-NE 3.54Å; E112-R116 IonicContact OE1-NH1 2.64Å; E112-R116 PolarHBondContact OE1-NH1 2.91Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 HydrophobicContact CB-CD1 4.08Å; R116-L118 HydrophobicContact CB-CD2 4.41Å; R116-L118 HydrophobicContact CB-CG 3.78Å; R116-L118 PolarHBondContact O-N 2.92Å; R116-T910 HydrophobicContact CG-CG2 4.14Å; R116-T910 WeakPolarHBondContact CG-OG1 3.37Å; R116-L911 PolarHBondContact NE-O 3.02Å
117N95Very high95.5Very high26 Ų2619.8 Ų19.814%0.13910%0.102CC..THydrogen-bonded Turntrans55.336.8-171.9-63.6-15.7000114A113 L115 N188 F918 K920A113-N117 CarbonylContact O-C 3.6Å; A113-N117 PolarHBondContact O-N 3.25Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 3.45Å; N117-N188 CarbonylContact O-C 3.55Å; N117-N188 WeakPolarHBondContact O-CA 3.38Å; N117-F918 WeakPolarHBondContact ND2-CZ 3.27Å; N117-K920 WeakPolarHBondContact OD1-CE 3.2Å; N117-K920 PolarHBondContact OD1-NZ 3.12Å
118L95Very high95.5Very high3 Ų316 Ų162%0.0168%0.077CC..  trans-81.2166.2174.5-55.1175.7000110.9M108 A113 R116 N188 G189 Q913M108-L118 HydrophobicContact CE-CB 4.32Å; M108-L118 HydrophobicContact CE-CD1 4.07Å; M108-L118 HydrophobicContact SD-CB 4.32Å; M108-L118 HydrophobicContact SD-CD1 4.49Å; A113-L118 HydrophobicContact CB-CB 4.19Å; A113-L118 PolarHBondContact O-N 2.87Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 HydrophobicContact CB-CD1 4.08Å; R116-L118 HydrophobicContact CB-CD2 4.41Å; R116-L118 HydrophobicContact CB-CG 3.78Å; R116-L118 PolarHBondContact O-N 2.92Å; L118-N188 PolarHBondContact O-N 3.33Å; L118-G189 PolarHBondContact O-N 3.21Å; L118-Q913 HydrophobicContact CD2-CB 3.7Å
119T96.7Very high95.4Very high15 Ų1515.9 Ų15.99%0.0928%0.077CC..  trans-99.8118.7167.8-67.40000108.9S121 I186 I187 N188T119-S121 PolarHBondContact O-N 3.19Å; T119-S121 PolarHBondContact O-OG 3.02Å; T119-I186 WeakPolarHBondContact CA-O 3.41Å; T119-I187 HydrophobicContact CG2-CD1 3.73Å; T119-I187 HydrophobicContact CG2-CG2 4.46Å; T119-N188 PolarHBondContact OG1-N 3.07Å; T119-N188 PolarHBondContact OG1-OD1 3.49Å
120Y97.6Very high95.2Very high0 Ų013.5 Ų13.50%07%0.065CC..  trans-73.399.4177.6-170.5-103.2000109.6P96 M108 P110 A113 I154 L156 C161 L162 I186P96-Y120 HydrophobicContact CB-CD2 4.26Å; P96-Y120 HydrophobicContact CB-CE1 4.22Å; P96-Y120 HydrophobicContact CB-CE2 3.71Å; P96-Y120 HydrophobicContact CG-CE1 3.76Å; P96-Y120 HydrophobicContact CG-CE2 4.09Å; M108-Y120 HydrophobicContact CB-CD2 4.49Å; M108-Y120 HydrophobicContact CG-CD2 4.08Å; M108-Y120 HydrophobicContact CG-CE2 4.49Å; M108-Y120 VanDerWaalsContact O-CE2 3.31Å; M108-Y120 WeakPolarHBondContact O-CE2 3.45Å; M108-Y120 HydrophobicContact SD-CD2 3.93Å; P110-Y120 HydrophobicContact CB-CE2 4.36Å; P110-Y120 HydrophobicContact CG-CD2 4.35Å; P110-Y120 HydrophobicContact CG-CE2 3.7Å; A113-Y120 HydrophobicContact CB-CD2 4.35Å; Y120-I154 HydrophobicContact CD1-CB 4.09Å; Y120-I154 HydrophobicContact CE1-CB 4.01Å; Y120-I154 HydrophobicContact CE1-CG2 4.04Å; Y120-I154 PolarHBondContact O-N 2.86Å; Y120-L156 HydrophobicContact CD1-CD1 4.27Å; Y120-C161 PolarHBondContact OH-SG 2.95Å; Y120-L162 PolarHBondContact OH-N 3.12Å; Y120-I186 PolarHBondContact N-O 3.37Å
121S96.5Very high94.9Very high12 Ų1214.1 Ų14.18%0.0847%0.068CC..EExtended strand (participates in β ladder)trans-146.2154.1-172.255.30000111T119 I152T119-S121 PolarHBondContact O-N 3.19Å; T119-S121 PolarHBondContact O-OG 3.02Å; S121-I152 CarbonylContact C-O 3.5Å; S121-I152 VanDerWaalsContact CA-O 3.22Å; S121-I152 WeakPolarHBondContact CA-O 3.45Å; S121-I152 VanDerWaalsContact CB-O 3.26Å; S121-I152 WeakPolarHBondContact CB-O 3.39Å
122A96.4Very high94.5Very high0 Ų014.5 Ų14.50%07%0.07CC..EExtended strand (participates in β ladder)trans-113.8145.717700000111.1L93 S94 P96 K151 I152 I154L93-A122 HydrophobicContact CD1-CB 3.99Å; L93-A122 HydrophobicContact CG-CB 4.36Å; S94-A122 WeakPolarHBondContact O-CB 3.44Å; P96-A122 HydrophobicContact CG-CB 4.42Å; A122-K151 CarbonylContact O-C 3.38Å; A122-K151 VanDerWaalsContact O-CA 3.28Å; A122-K151 WeakPolarHBondContact O-CA 3.36Å; A122-I152 PolarHBondContact N-O 3.37Å; A122-I152 PolarHBondContact O-N 2.98Å; A122-I154 HydrophobicContact CB-CD1 3.98Å; A122-I154 HydrophobicContact CB-CG1 3.65Å
123P96.1Very high94.1Very high1 Ų114.2 Ų14.21%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-71.8137.717431-35.5000111.6S94 T97 W99 Y125 F148S94-P123 PolarHBondContact N-O 3.3Å; S94-P123 VanDerWaalsContact N-O 3.08Å; T97-P123 WeakPolarHBondContact OG1-CD 3.34Å; W99-P123 HydrophobicContact CH2-CB 3.85Å; W99-P123 HydrophobicContact CH2-CG 3.74Å; W99-P123 HydrophobicContact CZ2-CG 4.42Å; P123-Y125 HydrophobicContact CB-CE2 3.71Å; P123-Y125 HydrophobicContact CG-CE2 3.8Å; P123-F148 HydrophobicContact CB-CD2 4.01Å; P123-F148 HydrophobicContact CB-CE2 3.56Å
124L95.8Very high93.4Very high2 Ų218.5 Ų18.51%0.019%0.089CC..EExtended strand (participates in β ladder)trans-107.3132.4175.6-176.872.5000109.6I91 L93 I149 G150 I152 F404I91-L124 HydrophobicContact CB-CD1 4.27Å; I91-L124 HydrophobicContact CD1-CD1 4.5Å; L93-L124 HydrophobicContact CB-CD1 4.41Å; L93-L124 HydrophobicContact CD1-CB 4.35Å; L93-L124 HydrophobicContact CD1-CD1 4.08Å; L124-I149 HydrophobicContact CB-CG1 4.22Å; L124-I149 HydrophobicContact CD2-CD1 3.44Å; L124-I149 VanDerWaalsContact CD2-CD1 3.44Å; L124-I149 HydrophobicContact CD2-CG1 3.88Å; L124-I149 HydrophobicContact CG-CD1 3.83Å; L124-I149 HydrophobicContact CG-CG1 3.92Å; L124-I149 WeakPolarHBondContact O-CG1 3.5Å; L124-I149 PolarHBondContact O-N 3.29Å; L124-G150 PolarHBondContact N-O 2.89Å; L124-I152 HydrophobicContact CB-CG1 4.46Å; L124-I152 HydrophobicContact CD1-CD1 4.35Å; L124-I152 HydrophobicContact CD2-CD1 3.78Å; L124-I152 HydrophobicContact CD2-CG1 4.29Å; L124-I152 HydrophobicContact CG-CD1 4.46Å; L124-F404 HydrophobicContact CD2-CE2 4.03Å; L124-F404 HydrophobicContact CD2-CZ 4.07Å
125Y95.6Very high92.1Very high62 Ų6224.9 Ų24.924%0.24312%0.119CC..EExtended strand (participates in β ladder)trans-122155.7178.1-55.8-90.2000110.3I91 Y92 P123 K146 T147 F148I91-Y125 CarbonylContact C-O 3.47Å; I91-Y125 WeakPolarHBondContact CA-O 3.33Å; Y92-Y125 PolarHBondContact N-O 3.08Å; Y92-Y125 PolarHBondContact O-N 3.13Å; P123-Y125 HydrophobicContact CB-CE2 3.71Å; P123-Y125 HydrophobicContact CG-CE2 3.8Å; Y125-K146 VanDerWaalsContact CD1-O 3.27Å; Y125-K146 WeakPolarHBondContact CD1-O 3.15Å; Y125-T147 CarbonylContact C-O 3.38Å; Y125-T147 VanDerWaalsContact CA-O 3.22Å; Y125-T147 WeakPolarHBondContact CA-O 3.49Å; Y125-F148 HydrophobicContact CD1-CB 3.85Å; Y125-F148 HydrophobicContact CD1-CD2 4.24Å; Y125-F148 HydrophobicContact CE1-CB 3.73Å; Y125-F148 AromaticContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CG 4.22Å
126V94.8Very high90.8Very high0 Ų027.6 Ų27.60%016%0.155CC..EExtended strand (participates in β ladder)trans-144147.1176.669.90000110.7V59 F88 Q90 I91 I128 T147 I149V59-V126 HydrophobicContact CG1-CG2 4.09Å; F88-V126 HydrophobicContact CB-CG2 4.33Å; F88-V126 HydrophobicContact CD1-CG1 4.09Å; F88-V126 HydrophobicContact CD1-CG2 4.39Å; Q90-V126 WeakPolarHBondContact O-CA 3.42Å; I91-V126 HydrophobicContact CG2-CG2 4.26Å; V126-I128 HydrophobicContact CG1-CD1 4.04Å; V126-I128 HydrophobicContact CG1-CG1 3.83Å; V126-T147 PolarHBondContact N-O 3.36Å; V126-T147 WeakPolarHBondContact O-CB 3.26Å; V126-T147 PolarHBondContact O-N 3.04Å; V126-I149 HydrophobicContact CB-CD1 4.16Å; V126-I149 HydrophobicContact CG1-CD1 4.09Å; V126-I149 HydrophobicContact CG1-CG1 4.42Å; V126-I149 HydrophobicContact CG1-CG2 3.49Å; V126-I149 VanDerWaalsContact CG1-CG2 3.49Å
127D94.6Very high89.8Confident5 Ų532 Ų323%0.02718%0.177CC..EExtended strand (participates in β ladder)trans-83.7132169.7-67.7-19.6000110.3E89 Q90 Y92 H144 Q145 K146E89-D127 HydrophobicContact CB-CB 4.34Å; E89-D127 PolarHBondContact N-O 3.09Å; Q90-D127 PolarHBondContact O-N 3.37Å; Y92-D127 WeakPolarHBondContact CE2-OD1 3.21Å; Y92-D127 VanDerWaalsContact CE2-OD2 3.23Å; Y92-D127 WeakPolarHBondContact CE2-OD2 3.35Å; Y92-D127 PolarHBondContact OH-OD2 3.3Å; D127-H144 WeakPolarHBondContact CA-O 3.21Å; D127-Q145 WeakPolarHBondContact OD1-CA 3.38Å; D127-Q145 PolarHBondContact OD1-OE1 3.25Å; D127-Q145 PolarHBondContact OD2-OE1 2.98Å; D127-K146 PolarHBondContact OD1-N 3.18Å
128I93.1Very high88.8Confident0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-124.9122.3-177.5-48.5175000109.1K87 F88 V126 H144 T147 L431 I435K87-I128 WeakPolarHBondContact O-CA 3.41Å; F88-I128 HydrophobicContact CD1-CD1 4.04Å; F88-I128 HydrophobicContact CD1-CG1 3.74Å; F88-I128 HydrophobicContact CD1-CG2 4.38Å; F88-I128 HydrophobicContact CE1-CD1 3.61Å; F88-I128 HydrophobicContact CE1-CG1 3.82Å; F88-I128 HydrophobicContact CE1-CG2 4.23Å; V126-I128 HydrophobicContact CG1-CD1 4.04Å; V126-I128 HydrophobicContact CG1-CG1 3.83Å; I128-H144 PolarHBondContact N-O 3.48Å; I128-H144 PolarHBondContact O-N 3.15Å; I128-T147 HydrophobicContact CD1-CG2 4.04Å; I128-L431 HydrophobicContact CB-CD2 3.84Å; I128-L431 HydrophobicContact CD1-CD2 3.87Å; I128-L431 HydrophobicContact CD1-CG 4.31Å; I128-L431 HydrophobicContact CG1-CD2 4.44Å; I128-L431 HydrophobicContact CG2-CD1 4.46Å; I128-L431 HydrophobicContact CG2-CD2 3.7Å; I128-I435 HydrophobicContact CD1-CD1 3.62Å
129T92.7Very high88.2Confident4 Ų445.5 Ų45.53%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-98.9122172.841.60000109.8L86 K87 E89 Q143L86-T129 WeakPolarHBondContact CA-O 3.49Å; K87-T129 WeakPolarHBondContact CB-OG1 3.27Å; K87-T129 PolarHBondContact N-O 3.28Å; K87-T129 PolarHBondContact O-N 3.1Å; K87-T129 PolarHBondContact O-OG1 3.38Å; E89-T129 VanDerWaalsContact OE1-CG2 3.29Å; E89-T129 WeakPolarHBondContact OE1-CG2 3.31Å; E89-T129 PolarHBondContact OE1-OG1 3.19Å; T129-Q143 HydrophobicContact CG2-CB 4.13Å; T129-Q143 HydrophobicContact CG2-CG 3.71Å
130K90.8Very high87.6Confident10 Ų1049.5 Ų49.54%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-106.6116.3174.9178.5-178178.7-173.50108.4L85 L86 Q141 T142 D428 F429L85-K130 WeakPolarHBondContact O-CA 3.46Å; L86-K130 HydrophobicContact CD2-CB 3.76Å; L86-K130 HydrophobicContact CD2-CD 4.41Å; L86-K130 HydrophobicContact CD2-CG 3.78Å; K130-Q141 WeakPolarHBondContact O-CA 3.45Å; K130-T142 PolarHBondContact N-O 3.33Å; K130-T142 PolarHBondContact O-N 3.38Å; K130-D428 VanDerWaalsContact NZ-CG 3.3Å; K130-D428 IonicContact NZ-OD1 3.16Å; K130-D428 PolarHBondContact NZ-OD1 3.18Å; K130-D428 IonicContact NZ-OD2 2.95Å; K130-D428 PolarHBondContact NZ-OD2 2.8Å; K130-D428 VanDerWaalsContact NZ-OD2 3.16Å; K130-F429 HydrophobicContact CD-CZ 4.5Å
131T90.4Very high87Confident15 Ų1555.7 Ų55.79%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-111.6125.6175.8-51.20000109.4L85 I133 Q139L85-T131 PolarHBondContact N-O 3.33Å; L85-T131 PolarHBondContact O-N 3.4Å; T131-I133 HydrophobicContact CG2-CG1 4.11Å; T131-Q139 HydrophobicContact CG2-CB 4.28Å
132I87.8Confident86.6Confident25 Ų2558.5 Ų58.513%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-106.1120.7175.6-52.2177.1000107.6Y84 K134 L140Y84-I132 HydrophobicContact CD1-CD1 4.3Å; Y84-I132 HydrophobicContact CD1-CG1 3.84Å; Y84-I132 HydrophobicContact CD1-CG2 4.3Å; Y84-I132 HydrophobicContact CE1-CD1 3.93Å; Y84-I132 HydrophobicContact CE1-CG1 3.92Å; Y84-I132 HydrophobicContact CE1-CG2 3.99Å; I132-K134 HydrophobicContact CG2-CG 4.45Å; I132-L140 HydrophobicContact CB-CB 4.47Å; I132-L140 PolarHBondContact N-O 2.89Å; I132-L140 PolarHBondContact O-N 3.49Å
133I86.3Confident86.3Confident53 Ų5363.1 Ų63.127%0.27233%0.327SS..EExtended strand (participates in β ladder)trans-112116179.2-52.8174.4000107.3R83 T131 Q139R83-I133 HydrophobicContact CB-CB 4.41Å; R83-I133 PolarHBondContact N-O 2.63Å; R83-I133 PolarHBondContact O-N 2.8Å; T131-I133 HydrophobicContact CG2-CG1 4.11Å; I133-Q139 HydrophobicContact CG1-CG 4.22Å
134K80.6Confident86Confident90 Ų9065.8 Ų65.839%0.39134%0.339SS..  trans-118.5136.4170.8-72.5171.3176.9-178.20107.6P82 I132 G136 E137P82-K134 HydrophobicContact CB-CG 3.96Å; I132-K134 HydrophobicContact CG2-CG 4.45Å; K134-G136 PolarHBondContact O-N 3.34Å; K134-E137 HydrophobicContact CB-CB 4.4Å; K134-E137 WeakPolarHBondContact CD-OE2 3.46Å; K134-E137 IonicContact NZ-OE2 3.79Å; K134-E137 PolarHBondContact NZ-OE2 3.43Å; K134-E137 PolarHBondContact O-N 3.22Å
135E68.5Low85.8Confident146 Ų14670.4 Ų70.468%0.68236%0.36SS*.THydrogen-bonded Turntrans-63.7129.7174.8-73.7-147.5128.200110.6E80E80-E135 HydrophobicContact CB-CG 4.22Å; E80-E135 HydrophobicContact CG-CG 4.42Å; E80-E135 VanDerWaalsContact OE2-CG 3.31Å; E80-E135 WeakPolarHBondContact OE2-CG 3.4Å
136G69.1Low85.6Confident91 Ų9173.7 Ų73.794%0.93838%0.376SS*.THydrogen-bonded Turntrans89-7.6178.300000116.7K134K134-G136 PolarHBondContact O-N 3.34Å
137E72.8Confident85.5Confident113 Ų11374.2 Ų74.253%0.52838%0.379SS..SBendtrans-114.3154.9173.9-74.8-174.8159.300111.6K134K134-E137 HydrophobicContact CB-CB 4.4Å; K134-E137 WeakPolarHBondContact CD-OE2 3.46Å; K134-E137 IonicContact NZ-OE2 3.79Å; K134-E137 PolarHBondContact NZ-OE2 3.43Å; K134-E137 PolarHBondContact O-N 3.22Å
138E74.2Confident85.6Confident181 Ų18177.1 Ų77.185%0.84639%0.392SS*.  trans-61.7144.4170.9-79.5-172.8160.800111.2L140E138-L140 PolarHBondContact O-N 3.24Å; E138-L140 VanDerWaalsContact O-N 3.14Å
139Q82.3Confident85.6Confident130 Ų13077.1 Ų77.161%0.60739%0.392SS*.  trans-64.8115.4178.9-63.4-176.50.100110.2T131 I133 Q141T131-Q139 HydrophobicContact CG2-CB 4.28Å; I133-Q139 HydrophobicContact CG1-CG 4.22Å; Q139-Q141 PolarHBondContact O-N 3.48Å
140L83.5Confident85.7Confident100 Ų10077 Ų7752%0.52439%0.39SS..EExtended strand (participates in β ladder)trans-84.3106.5176.3-71.4163000108.9I132 E138I132-L140 HydrophobicContact CB-CB 4.47Å; I132-L140 PolarHBondContact N-O 2.89Å; I132-L140 PolarHBondContact O-N 3.49Å; E138-L140 PolarHBondContact O-N 3.24Å; E138-L140 VanDerWaalsContact O-N 3.14Å
141Q86.3Confident86Confident130 Ų13079.5 Ų79.561%0.60740%0.401SS*.EExtended strand (participates in β ladder)trans-103.8118.7175.6-172.1175.72.200110.7K130 Q139K130-Q141 WeakPolarHBondContact O-CA 3.45Å; Q139-Q141 PolarHBondContact O-N 3.48Å
142T88.1Confident86.3Confident70 Ų7079 Ų7943%0.42940%0.398SS..EExtended strand (participates in β ladder)trans-112.1126.3174.7-50.60000109.2K130K130-T142 PolarHBondContact N-O 3.33Å; K130-T142 PolarHBondContact O-N 3.38Å
143Q90Very high86.7Confident98 Ų9878 Ų7846%0.45839%0.393SS..EExtended strand (participates in β ladder)trans-102.3122.3175.7-166.9176.740.400110.2E89 T129E89-Q143 PolarHBondContact OE2-NE2 2.89Å; T129-Q143 HydrophobicContact CG2-CB 4.13Å; T129-Q143 HydrophobicContact CG2-CG 3.71Å
144H89.2Confident87.3Confident56 Ų5675.5 Ų75.526%0.25938%0.38SS..EExtended strand (participates in β ladder)trans-97.9108.6172.8-68.6-93.7000109.1D127 I128 L431D127-H144 WeakPolarHBondContact CA-O 3.21Å; I128-H144 PolarHBondContact N-O 3.48Å; I128-H144 PolarHBondContact O-N 3.15Å; H144-L431 HydrophobicContact CB-CD2 4.18Å
145Q90.3Very high88.1Confident99 Ų9971.2 Ų71.246%0.46336%0.362SS..EExtended strand (participates in β ladder)trans-83.5136.8-178.3-70.8-74.3-31.900111.1D127 T147D127-Q145 WeakPolarHBondContact OD1-CA 3.38Å; D127-Q145 PolarHBondContact OD1-OE1 3.25Å; D127-Q145 PolarHBondContact OD2-OE1 2.98Å; Q145-T147 PolarHBondContact O-N 3.47Å
146K91.4Very high89.4Confident132 Ų13264.3 Ų64.357%0.57433%0.33SS*.EExtended strand (participates in β ladder)trans51.551173.8-59.6-177.6179.8179.20114Y92 Y125 D127Y92-K146 HydrophobicContact CD2-CG 4.06Å; Y92-K146 HydrophobicContact CE2-CG 4.19Å; Y125-K146 VanDerWaalsContact CD1-O 3.27Å; Y125-K146 WeakPolarHBondContact CD1-O 3.15Å; D127-K146 PolarHBondContact OD1-N 3.18Å
147T94.6Very high90.7Very high10 Ų1063 Ų636%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-75.1128.1176.5-52.80000110.4Y125 V126 I128 Q145 I149 I435Y125-T147 CarbonylContact C-O 3.38Å; Y125-T147 VanDerWaalsContact CA-O 3.22Å; Y125-T147 WeakPolarHBondContact CA-O 3.49Å; V126-T147 PolarHBondContact N-O 3.36Å; V126-T147 WeakPolarHBondContact O-CB 3.26Å; V126-T147 PolarHBondContact O-N 3.04Å; I128-T147 HydrophobicContact CD1-CG2 4.04Å; Q145-T147 PolarHBondContact O-N 3.47Å; T147-I149 PolarHBondContact O-N 3.33Å; T147-I435 HydrophobicContact CG2-CD1 3.44Å; T147-I435 VanDerWaalsContact CG2-CD1 3.44Å
148F95.1Very high91.8Very high67 Ų6757.6 Ų57.629%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-74.1122.4-179177.6-113.3000111.9P123 Y125 G150 K151 T437P123-F148 HydrophobicContact CB-CD2 4.01Å; P123-F148 HydrophobicContact CB-CE2 3.56Å; Y125-F148 HydrophobicContact CD1-CB 3.85Å; Y125-F148 HydrophobicContact CD1-CD2 4.24Å; Y125-F148 HydrophobicContact CE1-CB 3.73Å; Y125-F148 AromaticContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CG 4.22Å; F148-G150 WeakPolarHBondContact CE2-O 3.33Å; F148-K151 HydrophobicContact CE2-CG 4.27Å; F148-K151 HydrophobicContact CZ-CG 3.97Å; F148-T437 HydrophobicContact CD1-CG2 3.63Å; F148-T437 HydrophobicContact CE1-CG2 3.73Å
149I94.6Very high92.8Very high0 Ų052.1 Ų52.10%025%0.25CS..EExtended strand (participates in β ladder)trans-112-18.2-177.354.2167.5000114.2L124 V126 T147 I435 T437L124-I149 HydrophobicContact CB-CG1 4.22Å; L124-I149 HydrophobicContact CD2-CD1 3.44Å; L124-I149 VanDerWaalsContact CD2-CD1 3.44Å; L124-I149 HydrophobicContact CD2-CG1 3.88Å; L124-I149 HydrophobicContact CG-CD1 3.83Å; L124-I149 HydrophobicContact CG-CG1 3.92Å; L124-I149 WeakPolarHBondContact O-CG1 3.5Å; L124-I149 PolarHBondContact O-N 3.29Å; V126-I149 HydrophobicContact CB-CD1 4.16Å; V126-I149 HydrophobicContact CG1-CD1 4.09Å; V126-I149 HydrophobicContact CG1-CG1 4.42Å; V126-I149 HydrophobicContact CG1-CG2 3.49Å; V126-I149 VanDerWaalsContact CG1-CG2 3.49Å; T147-I149 PolarHBondContact O-N 3.33Å; I149-I435 HydrophobicContact CB-CG2 4.46Å; I149-I435 HydrophobicContact CG2-CD1 4.41Å; I149-I435 HydrophobicContact CG2-CG2 4.06Å; I149-T437 WeakPolarHBondContact O-CA 3.46Å
150G94.9Very high93.4Very high0 Ų049 Ų490%023%0.233CC..EExtended strand (participates in β ladder)trans158.3-173.2176.800000113.3L124 F148 S441L124-G150 PolarHBondContact N-O 2.89Å; F148-G150 WeakPolarHBondContact CE2-O 3.33Å; G150-S441 VanDerWaalsContact CA-OG 3.27Å; G150-S441 WeakPolarHBondContact CA-OG 3.41Å
151K95.5Very high94Very high63 Ų6344.4 Ų44.427%0.27421%0.209SC..EExtended strand (participates in β ladder)trans-113.3135.6176.7-58.1-175.7-178.7-177.40111W99 A122 F148 S441W99-K151 HydrophobicContact CZ3-CD 4.34Å; A122-K151 CarbonylContact O-C 3.38Å; A122-K151 VanDerWaalsContact O-CA 3.28Å; A122-K151 WeakPolarHBondContact O-CA 3.36Å; F148-K151 HydrophobicContact CE2-CG 4.27Å; F148-K151 HydrophobicContact CZ-CG 3.97Å; K151-S441 PolarHBondContact N-OG 3.14Å
152I96.4Very high94.4Very high4 Ų439.9 Ų39.92%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-104.2127.2172.5-66.7-174.8000109.1I51 S121 A122 L124 I154 F404 L444I51-I152 HydrophobicContact CD1-CD1 4.38Å; I51-I152 HydrophobicContact CD1-CG2 4.06Å; S121-I152 CarbonylContact C-O 3.5Å; S121-I152 VanDerWaalsContact CA-O 3.22Å; S121-I152 WeakPolarHBondContact CA-O 3.45Å; S121-I152 VanDerWaalsContact CB-O 3.26Å; S121-I152 WeakPolarHBondContact CB-O 3.39Å; A122-I152 PolarHBondContact N-O 3.37Å; A122-I152 PolarHBondContact O-N 2.98Å; L124-I152 HydrophobicContact CB-CG1 4.46Å; L124-I152 HydrophobicContact CD1-CD1 4.35Å; L124-I152 HydrophobicContact CD2-CD1 3.78Å; L124-I152 HydrophobicContact CD2-CG1 4.29Å; L124-I152 HydrophobicContact CG-CD1 4.46Å; I152-I154 HydrophobicContact CG2-CD1 4.44Å; I152-I154 PolarHBondContact O-N 2.94Å; I152-F404 HydrophobicContact CD1-CE2 4.28Å; I152-L444 HydrophobicContact CG1-CD1 4.19Å
153P97.2Very high94.7Very high5 Ų537 Ų373%0.03217%0.171CC..EExtended strand (participates in β ladder)trans-61.4129.6170.4-25.738.4000111.8F185 I187 L444 L448P153-F185 HydrophobicContact CB-CD1 4.11Å; P153-F185 WeakPolarHBondContact O-CE1 3.38Å; P153-I187 HydrophobicContact CB-CD1 3.71Å; P153-I187 HydrophobicContact CG-CD1 4.02Å; P153-L444 HydrophobicContact CG-CB 4.37Å; P153-L448 HydrophobicContact CB-CD1 3.86Å; P153-L448 HydrophobicContact CG-CD1 3.77Å
154I97.8Very high94.8Very high0 Ų035 Ų350%017%0.168CC..PPolyproline II helixtrans-99.4136-175.8-60.8-56.3000110.2F47 L93 P96 Y120 A122 I152 C161F47-I154 HydrophobicContact CZ-CD1 4.17Å; L93-I154 HydrophobicContact CD2-CD1 4.01Å; P96-I154 HydrophobicContact CG-CB 4.24Å; P96-I154 HydrophobicContact CG-CG1 4.09Å; P96-I154 HydrophobicContact CG-CG2 4.34Å; Y120-I154 HydrophobicContact CD1-CB 4.09Å; Y120-I154 HydrophobicContact CE1-CB 4.01Å; Y120-I154 HydrophobicContact CE1-CG2 4.04Å; Y120-I154 PolarHBondContact O-N 2.86Å; A122-I154 HydrophobicContact CB-CD1 3.98Å; A122-I154 HydrophobicContact CB-CG1 3.65Å; I152-I154 HydrophobicContact CG2-CD1 4.44Å; I152-I154 PolarHBondContact O-N 2.94Å; I154-C161 HydrophobicContact CG2-CB 4.29Å
155M97.9Very high94.9Very high1 Ų136.3 Ų36.31%0.00520%0.196CC..BIsolated β-bridgetrans-75.5139.6175.5-171.9177.9-72.100110.3Q43 L44 F47 S158 G183 F185 A396Q43-M155 HydrophobicContact CB-SD 4.27Å; L44-M155 HydrophobicContact CD2-CG 4.41Å; L44-M155 HydrophobicContact CD2-SD 3.99Å; F47-M155 HydrophobicContact CB-CB 4.44Å; F47-M155 HydrophobicContact CB-CE 3.73Å; F47-M155 HydrophobicContact CB-SD 3.88Å; F47-M155 HydrophobicContact CD1-CB 3.61Å; F47-M155 HydrophobicContact CD2-CB 4.22Å; F47-M155 HydrophobicContact CD2-CE 4.22Å; F47-M155 HydrophobicContact CE1-CB 3.83Å; F47-M155 HydrophobicContact CE2-CB 4.42Å; F47-M155 HydrophobicContact CG-CB 3.81Å; F47-M155 HydrophobicContact CG-CE 4.05Å; F47-M155 HydrophobicContact CG-SD 4.27Å; F47-M155 HydrophobicContact CZ-CB 4.24Å; M155-S158 PolarHBondContact O-N 3.48Å; M155-S158 PolarHBondContact O-OG 3.24Å; M155-G183 VanDerWaalsContact SD-CA 3.57Å; M155-F185 HydrophobicContact CB-CD1 4.31Å; M155-F185 HydrophobicContact CB-CE1 3.79Å; M155-F185 HydrophobicContact CB-CZ 4Å; M155-F185 HydrophobicContact CE-CE1 4.48Å; M155-F185 HydrophobicContact CE-CE2 3.58Å; M155-F185 HydrophobicContact CE-CZ 3.53Å; M155-F185 HydrophobicContact CG-CZ 4.46Å; M155-A396 HydrophobicContact CE-CB 3.75Å
156L97.3Very high95.1Very high1 Ų134.5 Ų34.51%0.00519%0.19CC..THydrogen-bonded Turntrans-70.4138.7-179.8-84.677.4000111.2P110 Y120 S158 G182 G183 Y184 I186P110-L156 HydrophobicContact CB-CD2 3.93Å; P110-L156 HydrophobicContact CB-CG 4.45Å; Y120-L156 HydrophobicContact CD1-CD1 4.27Å; L156-S158 PolarHBondContact O-N 3.47Å; L156-G182 WeakPolarHBondContact O-CA 3.49Å; L156-G183 PolarHBondContact O-N 3.19Å; L156-Y184 HydrophobicContact CD1-CD2 4.41Å; L156-Y184 HydrophobicContact CD1-CE2 4.21Å; L156-Y184 VanDerWaalsContact CD1-O 3.3Å; L156-Y184 WeakPolarHBondContact CD1-O 3.47Å; L156-Y184 HydrophobicContact CD2-CE2 3.81Å; L156-Y184 WeakPolarHBondContact CD2-OH 3.16Å; L156-Y184 HydrophobicContact CG-CE2 4.46Å; L156-Y184 PolarHBondContact N-O 3.35Å; L156-I186 HydrophobicContact CD1-CD1 3.71Å; L156-I186 HydrophobicContact CD1-CG1 3.75Å; L156-I186 HydrophobicContact CD2-CD1 3.81Å; L156-I186 HydrophobicContact CD2-CG1 4.45Å; L156-I186 HydrophobicContact CG-CD1 4.32Å
157R95.4Very high95.3Very high62 Ų6231.8 Ų31.823%0.23418%0.184CC..THydrogen-bonded Turntrans60.313.7-175.2-60.5-162.7174.2-1675.9115.8C161 L163 C177 P178 D180R157-C161 PolarHBondContact N-SG 2.99Å; R157-L163 HydrophobicContact CG-CB 4.28Å; R157-C177 PolarHBondContact NH2-O 2.98Å; R157-P178 PolarHBondContact NH1-O 3.47Å; R157-P178 VanDerWaalsContact NH1-O 3.09Å; R157-P178 VanDerWaalsContact NH2-C 3.32Å; R157-P178 PolarHBondContact NH2-O 3.22Å; R157-D180 PolarHBondContact NE-O 3.48Å; R157-D180 VanDerWaalsContact NE-O 3.11Å; R157-D180 PolarHBondContact NH1-O 2.81Å; R157-D180 PolarHBondContact NH2-O 3.39Å
158S96.3Very high95.3Very high0 Ų036.3 Ų36.30%021%0.208CC..SBendtrans-73.9167.316785.20000110.7D48 M155 L156 Y160 C161 S164D48-S158 VanDerWaalsContact OD1-CB 3.3Å; D48-S158 WeakPolarHBondContact OD1-CB 3.35Å; M155-S158 PolarHBondContact O-N 3.48Å; M155-S158 PolarHBondContact O-OG 3.24Å; L156-S158 PolarHBondContact O-N 3.47Å; S158-Y160 PolarHBondContact O-N 3.43Å; S158-Y160 VanDerWaalsContact O-N 3.13Å; S158-C161 WeakPolarHBondContact O-CB 3.45Å; S158-C161 PolarHBondContact O-N 2.9Å; S158-S164 WeakPolarHBondContact O-CB 3.2Å
159T95.1Very high95.4Very high66 Ų6641.4 Ų41.441%0.40523%0.225SC..THydrogen-bonded Turntrans-53.8-36.2-177.353.90000114D48D48-T159 HydrophobicContact CB-CG2 4.38Å; D48-T159 VanDerWaalsContact CG-OG1 3.26Å; D48-T159 WeakPolarHBondContact OD1-CB 3.4Å; D48-T159 PolarHBondContact OD1-N 3.26Å; D48-T159 PolarHBondContact OD1-OG1 2.92Å; D48-T159 WeakPolarHBondContact OD2-CG2 3.41Å; D48-T159 PolarHBondContact OD2-N 2.97Å
160Y94.1Very high95.5Very high65 Ų6543.5 Ų43.526%0.25524%0.236SC..THydrogen-bonded Turntrans-85.6-0.8179.1-62.8-81.6000114.8I51 Q52 L93 S158I51-Y160 HydrophobicContact CB-CD2 4Å; I51-Y160 HydrophobicContact CB-CE2 3.67Å; I51-Y160 HydrophobicContact CG1-CD2 4.42Å; I51-Y160 HydrophobicContact CG2-CD1 4.47Å; I51-Y160 HydrophobicContact CG2-CD2 3.61Å; I51-Y160 HydrophobicContact CG2-CE1 4.15Å; I51-Y160 HydrophobicContact CG2-CE2 3.23Å; I51-Y160 HydrophobicContact CG2-CG 4.22Å; Q52-Y160 HydrophobicContact CG-CE2 3.99Å; Q52-Y160 WeakPolarHBondContact CG-OH 3.38Å; L93-Y160 HydrophobicContact CD2-CD1 3.94Å; L93-Y160 HydrophobicContact CD2-CE1 4.4Å; L93-Y160 HydrophobicContact CD2-CG 3.99Å; S158-Y160 PolarHBondContact O-N 3.43Å; S158-Y160 VanDerWaalsContact O-N 3.13Å
161C95.9Very high95.6Very high3 Ų343.7 Ų43.72%0.0224%0.237CC..SBendtrans-81.9146.3176.4-167.50000111Y120 I154 R157 S158 L163 S164Y120-C161 PolarHBondContact OH-SG 2.95Å; I154-C161 HydrophobicContact CG2-CB 4.29Å; R157-C161 PolarHBondContact N-SG 2.99Å; S158-C161 WeakPolarHBondContact O-CB 3.45Å; S158-C161 PolarHBondContact O-N 2.9Å; C161-L163 PolarHBondContact O-N 2.69Å; C161-S164 PolarHBondContact O-N 2.97Å
162L94.6Very high95.6Very high35 Ų3544 Ų4418%0.18325%0.247CC..THydrogen-bonded Turntrans-62-24.7174.8-65.6177.8000113.8K95 P107 M108 M109 Y120 S164K95-L162 HydrophobicContact CB-CD2 4.05Å; K95-L162 HydrophobicContact CD-CD2 3.7Å; K95-L162 HydrophobicContact CG-CD2 4.19Å; P107-L162 HydrophobicContact CB-CD1 4.14Å; M108-L162 WeakPolarHBondContact O-CD1 3.35Å; M109-L162 HydrophobicContact SD-CD1 4.34Å; Y120-L162 PolarHBondContact OH-N 3.12Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 2.95Å
163L94.9Very high95.6Very high9 Ų950.1 Ų50.15%0.04728%0.275CS..THydrogen-bonded Turntrans-79-11.1-178.7-56.9-175.5000113.4P110 R157 C161 L166 L171 L174 E176P110-L163 HydrophobicContact CG-CD1 3.88Å; P110-L163 HydrophobicContact CG-CD2 4.3Å; P110-L163 HydrophobicContact CG-CG 3.99Å; R157-L163 HydrophobicContact CG-CB 4.28Å; C161-L163 PolarHBondContact O-N 2.69Å; L163-L166 HydrophobicContact CD2-CD1 4.31Å; L163-L171 HydrophobicContact CB-CD2 4.21Å; L163-L171 HydrophobicContact CD2-CD2 3.95Å; L163-L174 HydrophobicContact CD2-CD1 4.24Å; L163-E176 HydrophobicContact CD1-CG 4.19Å; L163-E176 HydrophobicContact CD2-CG 4.09Å
164S93.1Very high95.5Very high58 Ų5852.5 Ų52.541%0.40629%0.288SS..THydrogen-bonded Turntrans-71.7130.9179.8-171.90000110.5S158 C161 L162 L166S158-S164 WeakPolarHBondContact O-CB 3.2Å; C161-S164 PolarHBondContact O-N 2.97Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 2.95Å; S164-L166 VanDerWaalsContact C-N 3.29Å; S164-L166 PolarHBondContact O-N 2.92Å
165G89.6Confident95.4Very high82 Ų8256.2 Ų56.285%0.84531%0.307SS*.THydrogen-bonded Turntrans78.43.1178.700000115.7
166L94.6Very high95.3Very high62 Ų6256.5 Ų56.533%0.32531%0.309SS..  trans-77.5146.5171.6-64.6-174.8000111L163 S164 D170 L171 L174L163-L166 HydrophobicContact CD2-CD1 4.31Å; S164-L166 VanDerWaalsContact C-N 3.29Å; S164-L166 PolarHBondContact O-N 2.92Å; L166-D170 HydrophobicContact CB-CB 4.32Å; L166-D170 HydrophobicContact CD2-CB 4.5Å; L166-L171 HydrophobicContact CB-CD2 4.11Å; L166-L171 HydrophobicContact CB-CG 4.15Å; L166-L171 HydrophobicContact CD1-CD2 4.24Å; L166-L174 HydrophobicContact CD1-CD1 3.54Å
167T96.5Very high95.3Very high74 Ų7456.5 Ų56.545%0.45431%0.309SS..  trans-76.7162.1174.671.50000111.2R169 D170 L171T167-R169 PolarHBondContact O-N 3.03Å; T167-R169 VanDerWaalsContact O-N 3.16Å; T167-D170 WeakPolarHBondContact CB-OD2 3.47Å; T167-D170 PolarHBondContact N-OD2 3.16Å; T167-D170 PolarHBondContact O-N 3.42Å; T167-D170 VanDerWaalsContact O-N 3.1Å; T167-D170 PolarHBondContact OG1-N 3.1Å; T167-D170 PolarHBondContact OG1-OD1 3.04Å; T167-D170 PolarHBondContact OG1-OD2 3.42Å; T167-L171 WeakPolarHBondContact O-CG 3.46Å; T167-L171 PolarHBondContact O-N 2.64Å
168D95.3Very high95.3Very high105 Ų10554.8 Ų54.856%0.56131%0.306SS*.Hα-helixtrans-56.3-33177.4-72.3-12.8000112.9C172 P178D168-C172 PolarHBondContact O-N 3.06Å; D168-C172 PolarHBondContact O-SG 3.09Å; D168-P178 HydrophobicContact CB-CB 4.16Å; D168-P178 HydrophobicContact CB-CG 4.21Å
169R96.4Very high95.3Very high174 Ų17456.9 Ų56.966%0.65732%0.317SS*.Hα-helixtrans-67.1-49.4175.8-174.6-177.365.6-158.8-4111.3T167 L171 C172 E173T167-R169 PolarHBondContact O-N 3.03Å; T167-R169 VanDerWaalsContact O-N 3.16Å; R169-L171 VanDerWaalsContact C-N 3.26Å; R169-L171 PolarHBondContact O-N 3.49Å; R169-C172 WeakPolarHBondContact O-CB 3.37Å; R169-C172 PolarHBondContact O-N 3.37Å; R169-E173 PolarHBondContact O-N 2.97Å
170D96.7Very high95.4Very high44 Ų4454 Ų5424%0.23530%0.299CS..Hα-helixtrans-65.5-34.4-178.1-47.7-36.7000110.8L166 T167 C172 E173 L174L166-D170 HydrophobicContact CB-CB 4.32Å; L166-D170 HydrophobicContact CD2-CB 4.5Å; T167-D170 WeakPolarHBondContact CB-OD2 3.47Å; T167-D170 PolarHBondContact N-OD2 3.16Å; T167-D170 PolarHBondContact O-N 3.42Å; T167-D170 VanDerWaalsContact O-N 3.1Å; T167-D170 PolarHBondContact OG1-N 3.1Å; T167-D170 PolarHBondContact OG1-OD1 3.04Å; T167-D170 PolarHBondContact OG1-OD2 3.42Å; D170-C172 VanDerWaalsContact C-N 3.33Å; D170-C172 PolarHBondContact O-N 3.5Å; D170-E173 PolarHBondContact O-N 3.05Å; D170-L174 WeakPolarHBondContact O-CG 3.44Å; D170-L174 PolarHBondContact O-N 3.25Å; D170-L174 VanDerWaalsContact O-N 3.12Å
171L96.1Very high95.4Very high4 Ų451.9 Ų51.92%0.02129%0.293CS..Hα-helixtrans-60.7-42.5171.7-71.3174.3000111.8L163 L166 T167 R169 L174 N175 E176L163-L171 HydrophobicContact CB-CD2 4.21Å; L163-L171 HydrophobicContact CD2-CD2 3.95Å; L166-L171 HydrophobicContact CB-CD2 4.11Å; L166-L171 HydrophobicContact CB-CG 4.15Å; L166-L171 HydrophobicContact CD1-CD2 4.24Å; T167-L171 WeakPolarHBondContact O-CG 3.46Å; T167-L171 PolarHBondContact O-N 2.64Å; R169-L171 VanDerWaalsContact C-N 3.26Å; R169-L171 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 3.12Å; L171-N175 PolarHBondContact O-N 3.39Å; L171-E176 HydrophobicContact CB-CB 4.49Å; L171-E176 HydrophobicContact CD2-CB 4.39Å; L171-E176 WeakPolarHBondContact O-CA 3.18Å; L171-E176 WeakPolarHBondContact O-CB 3.3Å; L171-E176 PolarHBondContact O-N 3.21Å
172C95.8Very high95.3Very high69 Ų6951.8 Ų51.847%0.46629%0.292SS..Hα-helixtrans-66.1-38.2177.3-67.50000112D168 R169 D170 L174 N175 P178D168-C172 PolarHBondContact O-N 3.06Å; D168-C172 PolarHBondContact O-SG 3.09Å; R169-C172 WeakPolarHBondContact O-CB 3.37Å; R169-C172 PolarHBondContact O-N 3.37Å; D170-C172 VanDerWaalsContact C-N 3.33Å; D170-C172 PolarHBondContact O-N 3.5Å; C172-L174 VanDerWaalsContact C-N 3.27Å; C172-L174 PolarHBondContact O-N 3.28Å; C172-N175 WeakPolarHBondContact O-CA 3.5Å; C172-N175 PolarHBondContact O-N 3.32Å; C172-P178 VanDerWaalsContact SG-CG 3.56Å
173E96.3Very high95.4Very high133 Ų13350.1 Ų50.162%0.62128%0.284SS*.Hα-helixtrans-61.4-35.8174.7-70.2-179.6-174.100112.1R169 D170 N175R169-E173 PolarHBondContact O-N 2.97Å; D170-E173 PolarHBondContact O-N 3.05Å; E173-N175 PolarHBondContact O-N 3.02Å
174L95Very high95.5Very high56 Ų5649.7 Ų49.729%0.29328%0.282SS..THydrogen-bonded Turntrans-77.75.9173.5-65.6176.3000113.8M109 L163 L166 D170 L171 C172 E176M109-L174 HydrophobicContact CE-CD2 3.96Å; M109-L174 HydrophobicContact SD-CD1 4.38Å; M109-L174 HydrophobicContact SD-CD2 3.99Å; L163-L174 HydrophobicContact CD2-CD1 4.24Å; L166-L174 HydrophobicContact CD1-CD1 3.54Å; D170-L174 WeakPolarHBondContact O-CG 3.44Å; D170-L174 PolarHBondContact O-N 3.25Å; D170-L174 VanDerWaalsContact O-N 3.12Å; L171-L174 PolarHBondContact O-N 3.12Å; C172-L174 VanDerWaalsContact C-N 3.27Å; C172-L174 PolarHBondContact O-N 3.28Å; L174-E176 PolarHBondContact O-N 3.49Å
175N96.4Very high95.8Very high78 Ų7847 Ų4742%0.41726%0.263SS..THydrogen-bonded Turntrans57.430.7-173.6-59.4-79.1000113.4L171 C172 E173 N739 V742L171-N175 PolarHBondContact O-N 3.39Å; C172-N175 WeakPolarHBondContact O-CA 3.5Å; C172-N175 PolarHBondContact O-N 3.32Å; E173-N175 PolarHBondContact O-N 3.02Å; N175-N739 PolarHBondContact O-ND2 3.22Å; N175-V742 HydrophobicContact CB-CG2 4.24Å
176E96.8Very high96.2Very high6 Ų643.1 Ų43.13%0.02822%0.223CC..  trans-98.4154.7171.5-69.4-64163.300110.9N111 R114 L163 L171 L174N111-E176 WeakPolarHBondContact CB-OE1 3.27Å; N111-E176 PolarHBondContact N-OE1 3.21Å; R114-E176 IonicContact CZ-OE1 2.79Å; R114-E176 IonicContact CZ-OE2 3.7Å; R114-E176 IonicContact NH2-OE1 3.18Å; R114-E176 PolarHBondContact NH2-OE1 3.5Å; R114-E176 IonicContact NH2-OE2 2.72Å; R114-E176 PolarHBondContact NH2-OE2 2.92Å; L163-E176 HydrophobicContact CD1-CG 4.19Å; L163-E176 HydrophobicContact CD2-CG 4.09Å; L171-E176 HydrophobicContact CB-CB 4.49Å; L171-E176 HydrophobicContact CD2-CB 4.39Å; L171-E176 WeakPolarHBondContact O-CA 3.18Å; L171-E176 WeakPolarHBondContact O-CB 3.3Å; L171-E176 PolarHBondContact O-N 3.21Å; L174-E176 PolarHBondContact O-N 3.49Å
177C96.1Very high96.3Very high1 Ų140.2 Ų40.21%0.00721%0.207CC..  trans-88.8128177.9176.50000110.2R157 L179 D180 I737 T738R157-C177 PolarHBondContact NH2-O 2.98Å; C177-L179 PolarHBondContact O-N 2.92Å; C177-L179 PolarHBondContact SG-N 3.13Å; C177-L179 VanDerWaalsContact SG-N 3.36Å; C177-D180 HydrophobicContact CB-CB 4.24Å; C177-D180 PolarHBondContact O-N 2.66Å; C177-I737 HydrophobicContact CB-CD1 3.59Å; C177-I737 HydrophobicContact CB-CG1 3.46Å; C177-I737 VanDerWaalsContact CB-CG1 3.46Å; C177-I737 WeakPolarHBondContact SG-CD1 3.45Å; C177-T738 WeakPolarHBondContact CB-OG1 3.45Å; C177-T738 PolarHBondContact SG-OG1 3.42Å
178P96.3Very high96.2Very high27 Ų2739.4 Ų39.418%0.17520%0.2CC..THydrogen-bonded Turntrans-56.7-35.9173.8-28.737.2000113.4R157 D168 C172 D180R157-P178 PolarHBondContact NH1-O 3.47Å; R157-P178 VanDerWaalsContact NH1-O 3.09Å; R157-P178 VanDerWaalsContact NH2-C 3.32Å; R157-P178 PolarHBondContact NH2-O 3.22Å; D168-P178 HydrophobicContact CB-CB 4.16Å; D168-P178 HydrophobicContact CB-CG 4.21Å; C172-P178 VanDerWaalsContact SG-CG 3.56Å; P178-D180 PolarHBondContact O-N 2.9Å
179L95.9Very high96.1Very high44 Ų4435.1 Ų35.123%0.2318%0.181CC..THydrogen-bonded Turntrans-81.7-7.9-177.7-51.5177.1000114.1C177 P181 F475 E771 L772C177-L179 PolarHBondContact O-N 2.92Å; C177-L179 PolarHBondContact SG-N 3.13Å; C177-L179 VanDerWaalsContact SG-N 3.36Å; L179-P181 VanDerWaalsContact O-CD 3.31Å; L179-P181 WeakPolarHBondContact O-CD 3.4Å; L179-F475 HydrophobicContact CB-CE2 4.37Å; L179-F475 HydrophobicContact CB-CZ 4.43Å; L179-F475 WeakPolarHBondContact O-CE2 3.34Å; L179-F475 WeakPolarHBondContact O-CZ 3.44Å; L179-E771 HydrophobicContact CD1-CB 4.17Å; L179-E771 WeakPolarHBondContact CD1-OE2 3.39Å; L179-E771 WeakPolarHBondContact CD2-OE2 3.31Å; L179-L772 HydrophobicContact CD1-CD1 3.85Å; L179-L772 HydrophobicContact CD1-CG 4Å
180D96.3Very high96.1Very high4 Ų428.8 Ų28.82%0.02116%0.163CC..  trans-65.8119.4178.2-167.532.4000109.6R157 C177 P178 G182 Y184 R472 I737R157-D180 PolarHBondContact NE-O 3.48Å; R157-D180 VanDerWaalsContact NE-O 3.11Å; R157-D180 PolarHBondContact NH1-O 2.81Å; R157-D180 PolarHBondContact NH2-O 3.39Å; C177-D180 HydrophobicContact CB-CB 4.24Å; C177-D180 PolarHBondContact O-N 2.66Å; P178-D180 PolarHBondContact O-N 2.9Å; D180-G182 PolarHBondContact O-N 3.17Å; D180-G182 VanDerWaalsContact O-N 3.15Å; D180-Y184 WeakPolarHBondContact OD2-CE1 3.39Å; D180-Y184 PolarHBondContact OD2-OH 3.45Å; D180-R472 IonicContact OD1-CZ 3.85Å; D180-R472 VanDerWaalsContact OD1-CZ 3.32Å; D180-R472 IonicContact OD1-NH1 2.7Å; D180-R472 PolarHBondContact OD1-NH1 2.98Å; D180-R472 IonicContact OD1-NH2 3.18Å; D180-R472 PolarHBondContact OD1-NH2 3.04Å; D180-R472 IonicContact OD2-NH2 3.32Å; D180-R472 PolarHBondContact OD2-NH2 3.2Å; D180-I737 HydrophobicContact CB-CD1 3.96Å
181P94.3Very high96.1Very high22 Ų2227.3 Ų27.314%0.14316%0.155CC..  trans-68.6-17.4-172.526.9-37.9000114V40 L179 T478 L479 L482V40-P181 HydrophobicContact CG1-CB 3.91Å; V40-P181 HydrophobicContact CG2-CB 3.85Å; V40-P181 VanDerWaalsContact CG2-O 3.31Å; V40-P181 WeakPolarHBondContact CG2-O 3.46Å; L179-P181 VanDerWaalsContact O-CD 3.31Å; L179-P181 WeakPolarHBondContact O-CD 3.4Å; P181-T478 HydrophobicContact CG-CG2 4.37Å; P181-L479 HydrophobicContact CB-CD2 4.08Å; P181-L479 HydrophobicContact CG-CD2 3.93Å; P181-L482 HydrophobicContact CB-CD1 4.4Å; P181-L482 HydrophobicContact CG-CD1 3.67Å
182G95.4Very high96.1Very high0 Ų028.1 Ų28.10%016%0.158CC..  trans69.3-155.5-167.600000111.9L156 D180 Y184L156-G182 WeakPolarHBondContact O-CA 3.49Å; D180-G182 PolarHBondContact O-N 3.17Å; D180-G182 VanDerWaalsContact O-N 3.15Å; G182-Y184 WeakPolarHBondContact O-CD1 3.38Å
183G95.8Very high96.2Very high1 Ų124.9 Ų24.91%0.0114%0.136CC..  trans82.319.6177.800000115.1M155 L156 L482M155-G183 VanDerWaalsContact SD-CA 3.57Å; L156-G183 PolarHBondContact O-N 3.19Å; G183-L482 WeakPolarHBondContact O-CD2 2.95Å
184Y97.9Very high96.2Very high0 Ų018.7 Ų18.70%011%0.107CC..  trans-140.4167.4178.363.7-88.1000111R114 L156 D180 G182 I186 E191 K192 L470 R472R114-Y184 PolarHBondContact NH1-OH 3.32Å; L156-Y184 HydrophobicContact CD1-CD2 4.41Å; L156-Y184 HydrophobicContact CD1-CE2 4.21Å; L156-Y184 VanDerWaalsContact CD1-O 3.3Å; L156-Y184 WeakPolarHBondContact CD1-O 3.47Å; L156-Y184 HydrophobicContact CD2-CE2 3.81Å; L156-Y184 WeakPolarHBondContact CD2-OH 3.16Å; L156-Y184 HydrophobicContact CG-CE2 4.46Å; L156-Y184 PolarHBondContact N-O 3.35Å; D180-Y184 WeakPolarHBondContact OD2-CE1 3.39Å; D180-Y184 PolarHBondContact OD2-OH 3.45Å; G182-Y184 WeakPolarHBondContact O-CD1 3.38Å; Y184-I186 HydrophobicContact CE2-CG1 4.32Å; Y184-E191 HydrophobicContact CD2-CB 3.92Å; Y184-E191 HydrophobicContact CD2-CG 4.09Å; Y184-E191 HydrophobicContact CE2-CB 4.09Å; Y184-E191 HydrophobicContact CE2-CG 3.74Å; Y184-K192 WeakPolarHBondContact CB-O 3.35Å; Y184-L470 HydrophobicContact CD1-CD2 3.76Å; Y184-L470 HydrophobicContact CD2-CD2 4.19Å; Y184-L470 HydrophobicContact CE1-CD2 4.18Å; Y184-L470 HydrophobicContact CG-CD2 3.79Å; Y184-R472 PolarHBondContact OH-NH2 3.36Å
185F98.3Very high96.2Very high2 Ų216 Ų161%0.0099%0.094CC..EExtended strand (participates in β ladder)trans-107.5150.2-179.2-60-86.3000111.5F47 P153 M155 I187 E191 K192 L194 L400F47-F185 HydrophobicContact CD2-CE1 4.09Å; F47-F185 AromaticContact CD2-CZ 3.81Å; F47-F185 HydrophobicContact CD2-CZ 3.81Å; F47-F185 AromaticContact CE2-CE1 3.65Å; F47-F185 HydrophobicContact CE2-CE1 3.65Å; F47-F185 AromaticContact CE2-CZ 3.82Å; F47-F185 HydrophobicContact CE2-CZ 3.82Å; F47-F185 HydrophobicContact CZ-CE1 4.16Å; P153-F185 HydrophobicContact CB-CD1 4.11Å; P153-F185 WeakPolarHBondContact O-CE1 3.38Å; M155-F185 HydrophobicContact CB-CD1 4.31Å; M155-F185 HydrophobicContact CB-CE1 3.79Å; M155-F185 HydrophobicContact CB-CZ 4Å; M155-F185 HydrophobicContact CE-CE1 4.48Å; M155-F185 HydrophobicContact CE-CE2 3.58Å; M155-F185 HydrophobicContact CE-CZ 3.53Å; M155-F185 HydrophobicContact CG-CZ 4.46Å; F185-I187 HydrophobicContact CB-CD1 4.21Å; F185-I187 HydrophobicContact CB-CG1 4.24Å; F185-E191 CarbonylContact O-C 3.54Å; F185-E191 WeakPolarHBondContact O-CA 3.46Å; F185-K192 HydrophobicContact CB-CB 4.46Å; F185-K192 PolarHBondContact N-O 3.13Å; F185-K192 PolarHBondContact O-N 3.26Å; F185-L194 HydrophobicContact CD2-CG 4.44Å; F185-L194 HydrophobicContact CE2-CD1 3.85Å; F185-L194 HydrophobicContact CE2-CG 4Å; F185-L400 HydrophobicContact CZ-CD1 3.95Å
186I97.9Very high96.2Very high0 Ų012.5 Ų12.50%08%0.075CC..EExtended strand (participates in β ladder)trans-106.3110.4168.2-62.5163.4000108.7P110 A113 R114 T119 Y120 L156 Y184P110-I186 HydrophobicContact CB-CD1 3.89Å; A113-I186 HydrophobicContact CB-CG2 4.17Å; R114-I186 HydrophobicContact CG-CD1 3.71Å; R114-I186 HydrophobicContact CG-CG1 4.09Å; R114-I186 HydrophobicContact CG-CG2 4.04Å; T119-I186 WeakPolarHBondContact CA-O 3.41Å; Y120-I186 PolarHBondContact N-O 3.37Å; L156-I186 HydrophobicContact CD1-CD1 3.71Å; L156-I186 HydrophobicContact CD1-CG1 3.75Å; L156-I186 HydrophobicContact CD2-CD1 3.81Å; L156-I186 HydrophobicContact CD2-CG1 4.45Å; L156-I186 HydrophobicContact CG-CD1 4.32Å; Y184-I186 HydrophobicContact CE2-CG1 4.32Å
187I96.8Very high96.1Very high0 Ų012.5 Ų12.50%08%0.075CC..EExtended strand (participates in β ladder)trans-121.8122.2179.2-48.8-62.5000109.1T119 P153 F185 G189 S190 K192 K445 L448 A449T119-I187 HydrophobicContact CG2-CD1 3.73Å; T119-I187 HydrophobicContact CG2-CG2 4.46Å; P153-I187 HydrophobicContact CB-CD1 3.71Å; P153-I187 HydrophobicContact CG-CD1 4.02Å; F185-I187 HydrophobicContact CB-CD1 4.21Å; F185-I187 HydrophobicContact CB-CG1 4.24Å; I187-G189 PolarHBondContact O-N 3.37Å; I187-S190 PolarHBondContact N-O 3.38Å; I187-S190 PolarHBondContact O-N 3.3Å; I187-S190 PolarHBondContact O-OG 3.36Å; I187-K192 HydrophobicContact CB-CG 4.24Å; I187-K192 HydrophobicContact CG1-CB 4.46Å; I187-K192 HydrophobicContact CG1-CG 4.11Å; I187-K445 HydrophobicContact CG2-CG 3.98Å; I187-L448 HydrophobicContact CD1-CB 4.36Å; I187-L448 HydrophobicContact CD1-CD1 4.11Å; I187-L448 HydrophobicContact CG1-CB 4.1Å; I187-A449 HydrophobicContact CG2-CB 3.98Å
188N94.9Very high96Very high57 Ų5713 Ų1331%0.3058%0.078SC..THydrogen-bonded Turntrans50.139.9-175.6-60.3-33.9000113N117 L118 T119 S190 K445N117-N188 CarbonylContact O-C 3.55Å; N117-N188 WeakPolarHBondContact O-CA 3.38Å; L118-N188 PolarHBondContact O-N 3.33Å; T119-N188 PolarHBondContact OG1-N 3.07Å; T119-N188 PolarHBondContact OG1-OD1 3.49Å; N188-S190 PolarHBondContact O-N 3.27Å; N188-K445 WeakPolarHBondContact OD1-CE 3.49Å; N188-K445 PolarHBondContact OD1-NZ 3.42Å
189G93.3Very high95.7Very high16 Ų1615.2 Ų15.217%0.1658%0.084CC..THydrogen-bonded Turntrans70.4-2.2-174.200000116.5L118 I187L118-G189 PolarHBondContact O-N 3.21Å; I187-G189 PolarHBondContact O-N 3.37Å
190S95.1Very high95.6Very high40 Ų4014.8 Ų14.828%0.288%0.082SC..EExtended strand (participates in β ladder)trans-95.9137.517767.70000111.4I187 N188 K192I187-S190 PolarHBondContact N-O 3.38Å; I187-S190 PolarHBondContact O-N 3.3Å; I187-S190 PolarHBondContact O-OG 3.36Å; N188-S190 PolarHBondContact O-N 3.27Å; S190-K192 WeakPolarHBondContact OG-CE 2.86Å
191E97.1Very high95.4Very high13 Ų1314.7 Ų14.76%0.0618%0.081CC..EExtended strand (participates in β ladder)trans-81125.1177.4-60.5-178.816100110.2R114 Y184 F185 V469 L470 R472 R743R114-E191 WeakPolarHBondContact CD-OE1 3.34Å; R114-E191 IonicContact CZ-OE1 3.85Å; R114-E191 IonicContact NE-OE1 2.78Å; R114-E191 IonicContact NH1-OE1 3.93Å; R114-E191 PolarHBondContact NH1-OE1 3.43Å; Y184-E191 HydrophobicContact CD2-CB 3.92Å; Y184-E191 HydrophobicContact CD2-CG 4.09Å; Y184-E191 HydrophobicContact CE2-CB 4.09Å; Y184-E191 HydrophobicContact CE2-CG 3.74Å; F185-E191 CarbonylContact O-C 3.54Å; F185-E191 WeakPolarHBondContact O-CA 3.46Å; E191-V469 WeakPolarHBondContact O-CA 3.42Å; E191-L470 HydrophobicContact CB-CB 3.94Å; E191-L470 HydrophobicContact CB-CD2 4.39Å; E191-L470 PolarHBondContact O-N 2.93Å; E191-R472 IonicContact OE1-NH2 3.19Å; E191-R472 WeakPolarHBondContact OE2-CG 3.22Å; E191-R472 IonicContact OE2-CZ 3.53Å; E191-R472 IonicContact OE2-NE 3.67Å; E191-R472 PolarHBondContact OE2-NE 2.85Å; E191-R472 IonicContact OE2-NH2 3.82Å; E191-R743 IonicContact OE1-CZ 3.16Å; E191-R743 IonicContact OE1-NH1 3.17Å; E191-R743 PolarHBondContact OE1-NH1 2.82Å; E191-R743 IonicContact OE1-NH2 3.02Å; E191-R743 PolarHBondContact OE1-NH2 2.99Å; E191-R743 IonicContact OE2-NH2 3.03Å
192K97.2Very high95.4Very high22 Ų2214.8 Ų14.810%0.0968%0.081CC..EExtended strand (participates in β ladder)trans-123.8129-174-63.4-69176.3164.70110.3Y184 F185 I187 S190 A449 Q468 V469Y184-K192 WeakPolarHBondContact CB-O 3.35Å; F185-K192 HydrophobicContact CB-CB 4.46Å; F185-K192 PolarHBondContact N-O 3.13Å; F185-K192 PolarHBondContact O-N 3.26Å; I187-K192 HydrophobicContact CB-CG 4.24Å; I187-K192 HydrophobicContact CG1-CB 4.46Å; I187-K192 HydrophobicContact CG1-CG 4.11Å; S190-K192 WeakPolarHBondContact OG-CE 2.86Å; K192-A449 PolarHBondContact NZ-O 2.75Å; K192-Q468 CarbonylContact C-O 3.56Å; K192-Q468 WeakPolarHBondContact CA-O 3.45Å; K192-V469 HydrophobicContact CD-CG2 4.25Å
193V97.3Very high95.3Very high0 Ų015 Ų150%08%0.083CC..EExtended strand (participates in β ladder)trans-115139.8176.855.40000109.8I195 S467 Q468 L470 L482V193-I195 HydrophobicContact CG1-CD1 4.14Å; V193-I195 HydrophobicContact CG2-CD1 4.31Å; V193-S467 WeakPolarHBondContact O-CA 3.36Å; V193-Q468 HydrophobicContact CG1-CB 4.43Å; V193-Q468 PolarHBondContact N-O 3.16Å; V193-Q468 PolarHBondContact O-N 3.26Å; V193-L470 HydrophobicContact CB-CD1 4.27Å; V193-L470 HydrophobicContact CG1-CB 4.45Å; V193-L470 HydrophobicContact CG1-CD1 4.12Å; V193-L482 HydrophobicContact CB-CD2 4.31Å; V193-L482 HydrophobicContact CG2-CD2 3.7Å
194L96.3Very high95.2Very high3 Ų315.8 Ų15.82%0.0169%0.087CC..EExtended strand (participates in β ladder)trans-91.3124.5171.7-59.9-173.9000110.1Q43 F185 A396 L400 L448 W453Q43-L194 PolarHBondContact NE2-O 2.88Å; F185-L194 HydrophobicContact CD2-CG 4.44Å; F185-L194 HydrophobicContact CE2-CD1 3.85Å; F185-L194 HydrophobicContact CE2-CG 4Å; L194-A396 HydrophobicContact CD1-CB 3.99Å; L194-L400 HydrophobicContact CD1-CG 4.29Å; L194-L448 HydrophobicContact CD1-CD2 4.13Å; L194-L448 HydrophobicContact CD2-CD2 3.69Å; L194-L448 HydrophobicContact CG-CD2 4.28Å; L194-W453 HydrophobicContact CD1-CH2 3.82Å; L194-W453 HydrophobicContact CD1-CZ2 4.17Å; L194-W453 HydrophobicContact CD2-CH2 3.33Å; L194-W453 HydrophobicContact CD2-CZ2 4.32Å; L194-W453 HydrophobicContact CD2-CZ3 3.72Å; L194-W453 HydrophobicContact CG-CH2 4.23Å
195I95.8Very high95.1Very high1 Ų116.1 Ų16.11%0.0059%0.089CC..PPolyproline II helixtrans-88129.2178.1-50.6-54.4000108.4V193 Q197 V466 Q468 R484 N486V193-I195 HydrophobicContact CG1-CD1 4.14Å; V193-I195 HydrophobicContact CG2-CD1 4.31Å; I195-Q197 PolarHBondContact O-N 3.21Å; I195-Q197 PolarHBondContact O-NE2 3.05Å; I195-V466 PolarHBondContact N-O 3.3Å; I195-Q468 HydrophobicContact CG1-CG 4.04Å; I195-R484 HydrophobicContact CD1-CB 4.31Å; I195-R484 HydrophobicContact CG2-CB 4.24Å; I195-R484 HydrophobicContact CG2-CG 3.99Å; I195-R484 WeakPolarHBondContact CG2-O 3.34Å; I195-N486 HydrophobicContact CG2-CB 3.76Å
196A95.9Very high95Very high3 Ų316.1 Ų16.13%0.0259%0.089CC..EExtended strand (participates in β ladder)trans-57.6132.917700000110.4D394 L395 R484 V485 N486A196-D394 WeakPolarHBondContact CA-O 3.12Å; A196-L395 HydrophobicContact CB-CD2 3.66Å; A196-R484 PolarHBondContact N-O 2.86Å; A196-V485 HydrophobicContact CB-CG2 4.12Å; A196-N486 PolarHBondContact O-N 3.46Å
197Q94.1Very high94.9Very high6 Ų616.3 Ų16.33%0.0289%0.09CC..EExtended strand (participates in β ladder)trans-104.9122-179.6-58.9-58.7-5400110.6I195 D394 L399 V466 N486I195-Q197 PolarHBondContact O-N 3.21Å; I195-Q197 PolarHBondContact O-NE2 3.05Å; Q197-D394 HydrophobicContact CB-CB 4.34Å; Q197-D394 PolarHBondContact N-O 3.25Å; Q197-D394 PolarHBondContact O-N 3.25Å; Q197-L399 HydrophobicContact CG-CD1 4.37Å; Q197-L399 HydrophobicContact CG-CD2 4.3Å; Q197-V466 HydrophobicContact CG-CG1 4.39Å; Q197-V466 HydrophobicContact CG-CG2 4.34Å; Q197-N486 PolarHBondContact OE1-ND2 3.44Å
198E93.6Very high94.9Very high13 Ų1316.9 Ų16.96%0.0619%0.093CC..EExtended strand (participates in β ladder)trans-74.7130.3174.5-174.4-174.2134.400110Y388 K391 L393 V485 N486 S487 P488 K524E198-Y388 HydrophobicContact CG-CE2 4.35Å; E198-Y388 WeakPolarHBondContact OE2-CE2 3.33Å; E198-Y388 PolarHBondContact OE2-OH 3.1Å; E198-K391 HydrophobicContact CG-CB 4.33Å; E198-K391 HydrophobicContact CG-CD 4.07Å; E198-K391 HydrophobicContact CG-CG 4.48Å; E198-K391 WeakPolarHBondContact OE1-CD 3.43Å; E198-K391 WeakPolarHBondContact OE1-CE 3.44Å; E198-K391 IonicContact OE1-NZ 2.7Å; E198-K391 PolarHBondContact OE1-NZ 3.38Å; E198-L393 HydrophobicContact CB-CD2 4.11Å; E198-L393 HydrophobicContact CG-CD2 4.42Å; E198-V485 HydrophobicContact CB-CG1 4.37Å; E198-N486 PolarHBondContact N-O 2.87Å; E198-S487 PolarHBondContact OE2-OG 3.44Å; E198-P488 WeakPolarHBondContact O-CD 3.26Å; E198-P488 WeakPolarHBondContact O-CG 3.3Å; E198-K524 IonicContact OE1-NZ 3.32Å; E198-K524 IonicContact OE2-NZ 3.36Å; E198-K524 PolarHBondContact OE2-NZ 2.75Å
199K91Very high94.8Very high73 Ų7316.7 Ų16.732%0.31710%0.099SC..EExtended strand (participates in β ladder)trans-133.6162.8170.167.4174.1-178.6-156.90110.5K391 R392 D394K199-K391 CarbonylContact O-C 3.59Å; K199-K391 VanDerWaalsContact O-CA 3.25Å; K199-K391 WeakPolarHBondContact O-CA 3.45Å; K199-R392 HydrophobicContact CG-CB 4.2Å; K199-R392 PolarHBondContact N-O 2.97Å; K199-R392 PolarHBondContact O-N 2.86Å; K199-D394 WeakPolarHBondContact CD-OD2 3.28Å; K199-D394 WeakPolarHBondContact CE-OD1 3.48Å; K199-D394 IonicContact NZ-OD1 3.19Å; K199-D394 PolarHBondContact NZ-OD1 3.37Å; K199-D394 IonicContact NZ-OD2 3.4Å; K199-D394 PolarHBondContact NZ-OD2 2.7Å
200M92.2Very high94.5Very high35 Ų3519.4 Ų19.417%0.17211%0.106CC..EExtended strand (participates in β ladder)trans-65.8139.5168.1-16565.369.800109.3Y206 N390M200-Y206 HydrophobicContact CG-CD2 4.34Å; M200-Y206 HydrophobicContact CG-CE2 3.65Å; M200-Y206 HydrophobicContact SD-CE2 4.1Å; M200-N390 HydrophobicContact SD-CB 4.25Å
201A93.6Very high93.8Very high1 Ų126.2 Ų26.21%0.00813%0.131CC..PPolyproline II helixtrans-62.4141.5175.700000110.5Y206 N390 R392A201-Y206 WeakPolarHBondContact CB-OH 3.38Å; A201-Y206 PolarHBondContact O-OH 2.96Å; A201-N390 WeakPolarHBondContact CB-O 3.26Å; A201-N390 PolarHBondContact N-O 3.18Å; A201-R392 HydrophobicContact CB-CG 3.79Å
202T93Very high92.3Very high24 Ų2433.2 Ų33.215%0.14717%0.168CC..SBendtrans-85.7168.7178.542.60000110.9T204 R222 C224 T232T202-T204 PolarHBondContact O-N 3.24Å; T202-T204 PolarHBondContact O-OG1 2.88Å; T202-R222 CarbonylContact C-O 3.55Å; T202-R222 WeakPolarHBondContact CA-O 3.27Å; T202-R222 WeakPolarHBondContact CB-O 3.47Å; T202-C224 HydrophobicContact CG2-CB 3.92Å; T202-T232 HydrophobicContact CG2-CG2 4.13Å
203N94.4Very high91.5Very high6 Ų634.8 Ų34.83%0.03218%0.182CC..SBendtrans58.416.3174.1-59.4-18.6000114.8R222 S223 C224 H350 N570 G571N203-R222 PolarHBondContact N-O 2.8Å; N203-S223 VanDerWaalsContact OD1-CA 3.3Å; N203-S223 WeakPolarHBondContact OD1-CA 3.29Å; N203-C224 PolarHBondContact ND2-O 3.06Å; N203-C224 PolarHBondContact OD1-N 3.06Å; N203-C224 PolarHBondContact OD1-O 2.86Å; N203-C224 VanDerWaalsContact OD1-O 3.11Å; N203-H350 VanDerWaalsContact CG-CD2 3.47Å; N203-H350 VanDerWaalsContact OD1-CB 3.32Å; N203-H350 WeakPolarHBondContact OD1-CB 3.48Å; N203-N570 WeakPolarHBondContact CB-O 3.44Å; N203-G571 VanDerWaalsContact O-CA 3.25Å; N203-G571 WeakPolarHBondContact O-CA 3.37Å
204T93.9Very high91Very high16 Ų1639.7 Ų39.710%0.09820%0.204CC..  trans-116.3140.7178.9-52.90000109.2T202 Y206T202-T204 PolarHBondContact O-N 3.24Å; T202-T204 PolarHBondContact O-OG1 2.88Å; T204-Y206 HydrophobicContact CG2-CD1 4.42Å; T204-Y206 HydrophobicContact CG2-CE1 3.76Å; T204-Y206 HydrophobicContact CG2-CE2 4.47Å
205V95.6Very high90.6Very high8 Ų841.5 Ų41.55%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-87.3127.2177.3-176.60000108.2C221 F364 Y367 M368 R371V205-C221 HydrophobicContact CG2-CB 4.37Å; V205-F364 HydrophobicContact CG2-CE1 4.06Å; V205-F364 HydrophobicContact CG2-CZ 3.81Å; V205-Y367 HydrophobicContact CG2-CD1 4.41Å; V205-Y367 HydrophobicContact CG2-CE1 4.22Å; V205-M368 HydrophobicContact CB-CG 4.49Å; V205-M368 HydrophobicContact CG1-CE 4.24Å; V205-M368 HydrophobicContact CG1-CG 4.05Å; V205-M368 HydrophobicContact CG2-CG 3.57Å; V205-M368 HydrophobicContact CG2-SD 4.35Å; V205-R371 PolarHBondContact O-NH1 2.87Å
206Y96.4Very high90.3Very high2 Ų242.6 Ų42.61%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-120136.2174.4-55.5-69.8000111.5M200 A201 T204 F208 G219 E220 D383 N390M200-Y206 HydrophobicContact CG-CD2 4.34Å; M200-Y206 HydrophobicContact CG-CE2 3.65Å; M200-Y206 HydrophobicContact SD-CE2 4.1Å; A201-Y206 WeakPolarHBondContact CB-OH 3.38Å; A201-Y206 PolarHBondContact O-OH 2.96Å; T204-Y206 HydrophobicContact CG2-CD1 4.42Å; T204-Y206 HydrophobicContact CG2-CE1 3.76Å; T204-Y206 HydrophobicContact CG2-CE2 4.47Å; Y206-F208 HydrophobicContact CD1-CZ 4.48Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 AromaticContact CG-CZ 3.95Å; Y206-F208 HydrophobicContact CG-CZ 3.95Å; Y206-G219 CarbonylContact O-C 3.55Å; Y206-G219 WeakPolarHBondContact O-CA 3.47Å; Y206-E220 PolarHBondContact N-O 2.85Å; Y206-E220 PolarHBondContact O-N 2.89Å; Y206-D383 VanDerWaalsContact CA-OD2 3.22Å; Y206-D383 WeakPolarHBondContact CA-OD2 3.48Å; Y206-D383 HydrophobicContact CD1-CB 4.32Å; Y206-N390 HydrophobicContact CE1-CB 3.7Å; Y206-N390 PolarHBondContact OH-O 3.09Å
207V96.4Very high90.1Very high3 Ų345.4 Ų45.42%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-113.8118.4176.8-174.10000109.8R371 L372 A375 L382 D383V207-R371 HydrophobicContact CG2-CB 4.5Å; V207-R371 HydrophobicContact CG2-CG 4.28Å; V207-L372 HydrophobicContact CG1-CD1 3.86Å; V207-A375 HydrophobicContact CB-CB 4.27Å; V207-A375 HydrophobicContact CG1-CB 3.57Å; V207-L382 HydrophobicContact CG1-CD2 4.21Å; V207-D383 PolarHBondContact N-OD2 3.23Å; V207-D383 PolarHBondContact O-N 3.18Å; V207-D383 VanDerWaalsContact O-N 3.14Å
208F94.9Very high90.2Very high13 Ų1345.2 Ų45.26%0.05723%0.23CC..EExtended strand (participates in β ladder)trans-121.5143.1179.1-53.3-58.6000111.1Y206 T218 D383 R385Y206-F208 HydrophobicContact CD1-CZ 4.48Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 AromaticContact CG-CZ 3.95Å; Y206-F208 HydrophobicContact CG-CZ 3.95Å; F208-T218 PolarHBondContact N-O 2.78Å; F208-T218 PolarHBondContact O-N 3.21Å; F208-D383 WeakPolarHBondContact CD1-O 3.4Å; F208-D383 HydrophobicContact CE1-CB 3.96Å; F208-D383 VanDerWaalsContact CE1-O 3.32Å; F208-D383 WeakPolarHBondContact CE1-O 3.46Å; F208-R385 HydrophobicContact CD1-CG 3.77Å; F208-R385 HydrophobicContact CE1-CB 4.4Å; F208-R385 HydrophobicContact CE1-CG 3.24Å; F208-R385 HydrophobicContact CE2-CG 4.25Å; F208-R385 HydrophobicContact CG-CG 4.46Å; F208-R385 HydrophobicContact CZ-CG 3.51Å
209A92.7Very high90.3Very high52 Ų5244.6 Ų44.643%0.4323%0.227SC..EExtended strand (participates in β ladder)trans-79139.2162.200000110.2A216 Y217 L382A209-A216 WeakPolarHBondContact CA-O 3.36Å; A209-Y217 HydrophobicContact CB-CD1 4.14Å; A209-Y217 HydrophobicContact CB-CE1 4.15Å; A209-L382 HydrophobicContact CB-CD1 3.57Å
210K87.2Confident90.5Very high73 Ų7342.1 Ų42.132%0.31722%0.216SC..  trans-108.8121.4173.9-72.9-177.3179.6163.70109.7A216 T218K210-A216 PolarHBondContact N-O 3.49Å; K210-T218 WeakPolarHBondContact CE-OG1 3.46Å; K210-T218 PolarHBondContact NZ-OG1 3.2Å
211K80.8Confident90.6Very high184 Ų18440.5 Ų40.580%0.821%0.208SC*.THydrogen-bonded Turntrans-78.7137.3171.3-162.7174.4178.9178.20109.4S213K211-S213 PolarHBondContact O-N 3.32Å
212D67.1Low90.6Very high159 Ų15944.4 Ų44.485%0.8522%0.223SC*.THydrogen-bonded Turntrans57.241.3175.3-52.3-30.6000115
213S79.4Confident90.5Very high56 Ų5643.3 Ų43.339%0.39222%0.216SC..SBendtrans-124.7166.2176.5-162.10000112.2K211 Y215K211-S213 PolarHBondContact O-N 3.32Å; S213-Y215 PolarHBondContact O-N 2.83Å
214K86.1Confident90.1Very high102 Ų10244.5 Ų44.544%0.44323%0.225SC..SBendtrans-60.2-23.8169.8-177.9-175.1171.8-162.10112.2M240 A241 E266K214-M240 VanDerWaalsContact CE-CE 3.42Å; K214-A241 PolarHBondContact O-N 2.91Å; K214-E266 IonicContact NZ-OE1 3.6Å; K214-E266 PolarHBondContact NZ-OE1 3.35Å; K214-E266 IonicContact NZ-OE2 3.31Å; K214-E266 PolarHBondContact NZ-OE2 2.99Å
215Y88.5Confident89.5Confident41 Ų4146.6 Ų46.616%0.16124%0.235CC..EExtended strand (participates in β ladder)trans-106.2135.3-177.6-45.7-63.1000110.3S213 M239 M240 V257 E266S213-Y215 PolarHBondContact O-N 2.83Å; Y215-M239 CarbonylContact C-O 3.54Å; Y215-M239 VanDerWaalsContact CA-O 3.31Å; Y215-M239 WeakPolarHBondContact CA-O 3.44Å; Y215-M240 HydrophobicContact CD1-CG 4.43Å; Y215-V257 HydrophobicContact CE1-CG2 4.14Å; Y215-E266 PolarHBondContact OH-OE2 2.97Å
216A89.3Confident88.2Confident25 Ų2549.4 Ų49.421%0.20725%0.247CC..EExtended strand (participates in β ladder)trans-77.4-51.9172.600000110.4A209 K210 M239 A241A209-A216 WeakPolarHBondContact CA-O 3.36Å; K210-A216 PolarHBondContact N-O 3.49Å; A216-M239 PolarHBondContact N-O 3.46Å; A216-A241 HydrophobicContact CB-CB 4.21Å
217Y92.6Very high86.7Confident62 Ų6253.2 Ų53.224%0.24327%0.268CS..EExtended strand (participates in β ladder)trans-123.6148.9179.7-58.3-75.9000110.5A209 S238 M239 A376 L382A209-Y217 HydrophobicContact CB-CD1 4.14Å; A209-Y217 HydrophobicContact CB-CE1 4.15Å; Y217-S238 WeakPolarHBondContact O-CA 3.5Å; Y217-M239 HydrophobicContact CD2-SD 4.07Å; Y217-M239 PolarHBondContact O-N 3.27Å; Y217-A376 HydrophobicContact CD2-CB 3.83Å; Y217-A376 HydrophobicContact CE2-CB 3.89Å; Y217-L382 HydrophobicContact CD1-CD2 4.04Å; Y217-L382 HydrophobicContact CE1-CD2 4.09Å
218T94.9Very high85.5Confident2 Ų253.8 Ų53.81%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-139.1119.5173.6-56.80000109.4F208 K210 W236 V237F208-T218 PolarHBondContact N-O 2.78Å; F208-T218 PolarHBondContact O-N 3.21Å; K210-T218 WeakPolarHBondContact CE-OG1 3.46Å; K210-T218 PolarHBondContact NZ-OG1 3.2Å; T218-W236 HydrophobicContact CG2-CB 4.03Å; T218-W236 HydrophobicContact CG2-CG 4.26Å; T218-V237 CarbonylContact C-O 3.52Å; T218-V237 WeakPolarHBondContact CA-O 3.44Å
219G95.8Very high84.1Confident0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-80.2125.5160.600000109.8Y206 W236 V237Y206-G219 CarbonylContact O-C 3.55Å; Y206-G219 WeakPolarHBondContact O-CA 3.47Å; G219-W236 CarbonylContact O-C 3.54Å; G219-W236 VanDerWaalsContact O-CA 3.29Å; G219-W236 WeakPolarHBondContact O-CA 3.43Å; G219-V237 PolarHBondContact N-O 3.37Å; G219-V237 PolarHBondContact O-N 3Å
220E95.6Very high83Confident21 Ų2156.2 Ų56.210%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-118.5129.5177179175.3169.900109Y206 R222 T234Y206-E220 PolarHBondContact N-O 2.85Å; Y206-E220 PolarHBondContact O-N 2.89Å; E220-R222 HydrophobicContact CG-CG 4.47Å; E220-R222 IonicContact OE1-CZ 3.48Å; E220-R222 IonicContact OE1-NE 3.32Å; E220-R222 PolarHBondContact OE1-NE 3.39Å; E220-R222 IonicContact OE1-NH2 3.32Å; E220-R222 PolarHBondContact OE1-NH2 3.39Å; E220-T234 HydrophobicContact CG-CG2 3.98Å
221C95.5Very high82.4Confident0 Ų056.9 Ų56.90%029%0.288CS..EExtended strand (participates in β ladder)trans-127.1125.3167178.90000109.2V205 I235 M368V205-C221 HydrophobicContact CG2-CB 4.37Å; C221-I235 HydrophobicContact CB-CG2 3.87Å; C221-I235 PolarHBondContact N-O 3.08Å; C221-I235 WeakPolarHBondContact O-CG2 3.49Å; C221-I235 PolarHBondContact O-N 3.3Å; C221-M368 HydrophobicContact CB-CE 3.39Å; C221-M368 HydrophobicContact CB-SD 3.77Å
222R93.7Very high82.5Confident83 Ų8351.7 Ų51.731%0.31327%0.272SS..EExtended strand (participates in β ladder)trans-101.197.8175.1-65.8-177.7-173.2174.27.6108.4T202 N203 E220 S233 T234T202-R222 CarbonylContact C-O 3.55Å; T202-R222 WeakPolarHBondContact CA-O 3.27Å; T202-R222 WeakPolarHBondContact CB-O 3.47Å; N203-R222 PolarHBondContact N-O 2.8Å; E220-R222 HydrophobicContact CG-CG 4.47Å; E220-R222 IonicContact OE1-CZ 3.48Å; E220-R222 IonicContact OE1-NE 3.32Å; E220-R222 PolarHBondContact OE1-NE 3.39Å; E220-R222 IonicContact OE1-NH2 3.32Å; E220-R222 PolarHBondContact OE1-NH2 3.39Å; R222-S233 CarbonylContact C-O 3.58Å; R222-T234 HydrophobicContact CG-CG2 3.96Å
223S89.9Confident83.6Confident1 Ų144.7 Ų44.71%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-84.4133.1-179.6-175.90000111.2N203 T232 S233 P349 H350N203-S223 VanDerWaalsContact OD1-CA 3.3Å; N203-S223 WeakPolarHBondContact OD1-CA 3.29Å; S223-T232 CarbonylContact O-C 3.58Å; S223-T232 WeakPolarHBondContact O-CA 3.33Å; S223-S233 PolarHBondContact N-O 3.42Å; S223-S233 PolarHBondContact O-N 3.08Å; S223-P349 VanDerWaalsContact OG-CD 3.26Å; S223-P349 WeakPolarHBondContact OG-CD 3.47Å; S223-H350 WeakPolarHBondContact OG-CB 3.34Å; S223-H350 VanDerWaalsContact OG-CG 3.23Å; S223-H350 PolarHBondContact OG-N 3.12Å; S223-H350 PolarHBondContact OG-ND1 2.8Å
224C85.9Confident84.3Confident32 Ų3243.3 Ų43.322%0.21622%0.224CC..  trans-136.4123.8168.5-163.50000107.3T202 N203 E226 T232T202-C224 HydrophobicContact CG2-CB 3.92Å; N203-C224 PolarHBondContact ND2-O 3.06Å; N203-C224 PolarHBondContact OD1-N 3.06Å; N203-C224 PolarHBondContact OD1-O 2.86Å; N203-C224 VanDerWaalsContact OD1-O 3.11Å; C224-E226 PolarHBondContact O-N 3.21Å; C224-T232 HydrophobicContact CB-CG2 4.08Å
225L81.5Confident84.7Confident60 Ų6038.6 Ų38.631%0.31420%0.204SC..  trans-70.4127.5167.1-175.268.1000107.5S228 P349L225-S228 WeakPolarHBondContact O-CB 3.5Å; L225-S228 PolarHBondContact O-N 3.08Å; L225-P349 HydrophobicContact CB-CB 4.39Å
226E68.6Low85Confident66 Ų6640.7 Ų40.731%0.30821%0.212SC..THydrogen-bonded Turntrans-59.1139.5178.4-68.8177.6176.900109.6C224 S228 N570C224-E226 PolarHBondContact O-N 3.21Å; E226-S228 PolarHBondContact O-N 3.5Å; E226-N570 WeakPolarHBondContact OE1-CB 3.31Å; E226-N570 PolarHBondContact OE1-ND2 2.88Å; E226-N570 PolarHBondContact OE2-ND2 3.47Å; E226-N570 VanDerWaalsContact OE2-ND2 3.16Å
227N64.8Low85.3Confident82 Ų8239.5 Ų39.544%0.43920%0.202SC..THydrogen-bonded Turntrans61.8-1.4-179.5-53.6-44.2000116.2R405N227-R405 PolarHBondContact O-NH2 3.32Å
228S72.1Confident85.3Confident16 Ų1636.6 Ų36.611%0.11219%0.191CC..  trans-76.9155.2-177.1-169.30000113.4L225 E226 R230L225-S228 WeakPolarHBondContact O-CB 3.5Å; L225-S228 PolarHBondContact O-N 3.08Å; E226-S228 PolarHBondContact O-N 3.5Å; S228-R230 PolarHBondContact O-N 3.04Å
229S64.5Low85.2Confident40 Ų4036.5 Ų36.528%0.2819%0.19SC..SBendtrans-81.31.6176.477.80000115.7K409S229-K409 PolarHBondContact OG-NZ 3.23Å
230R68.8Low84.8Confident75 Ų7537.4 Ų37.428%0.28320%0.195SC..SBendtrans-83.5141.7179.9-69.9172.9171-96-14.4111.5S228 K345 E346S228-R230 PolarHBondContact O-N 3.04Å; R230-K345 PolarHBondContact NH1-O 3.29Å; R230-E346 IonicContact CZ-OE1 2.8Å; R230-E346 IonicContact NH1-OE1 3.6Å; R230-E346 PolarHBondContact NH1-OE1 2.69Å; R230-E346 IonicContact NH1-OE2 2.69Å
231P75.6Confident84.2Confident87 Ų8738.2 Ų38.257%0.56521%0.205SC*.PPolyproline II helixtrans-66.2163.3169.331.6-34.9000110.4S233P231-S233 PolarHBondContact O-N 3.01Å; P231-S233 VanDerWaalsContact O-N 3.16Å
232T83.4Confident83.1Confident76 Ų7648.5 Ų48.547%0.46624%0.244SC..PPolyproline II helixtrans-60.2117.3172.9550000110T202 S223 C224T202-T232 HydrophobicContact CG2-CG2 4.13Å; S223-T232 CarbonylContact O-C 3.58Å; S223-T232 WeakPolarHBondContact O-CA 3.33Å; C224-T232 HydrophobicContact CB-CG2 4.08Å
233S90.1Very high81.4Confident11 Ų1148 Ų488%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-88.8131.6172720000109.2R222 S223 P231 E346 P349R222-S233 CarbonylContact C-O 3.58Å; S223-S233 PolarHBondContact N-O 3.42Å; S223-S233 PolarHBondContact O-N 3.08Å; P231-S233 PolarHBondContact O-N 3.01Å; P231-S233 VanDerWaalsContact O-N 3.16Å; S233-E346 WeakPolarHBondContact CB-O 3.33Å; S233-E346 PolarHBondContact OG-O 3.13Å; S233-P349 WeakPolarHBondContact OG-CD 3.49Å; S233-P349 WeakPolarHBondContact OG-CG 3.44Å
234T92.6Very high79.4Confident27 Ų2749.7 Ų49.717%0.16628%0.282CS..EExtended strand (participates in β ladder)trans-110.5130.5-179.5-50.10000109.3E220 R222 W236E220-T234 HydrophobicContact CG-CG2 3.98Å; R222-T234 HydrophobicContact CG-CG2 3.96Å; T234-W236 HydrophobicContact CG2-CD2 4.09Å; T234-W236 HydrophobicContact CG2-CE3 4.47Å; T234-W236 HydrophobicContact CG2-CH2 3.89Å; T234-W236 HydrophobicContact CG2-CZ2 3.42Å; T234-W236 VanDerWaalsContact CG2-CZ2 3.42Å; T234-W236 HydrophobicContact CG2-CZ3 4.39Å
235I94.6Very high77.3Confident4 Ų458.2 Ų58.22%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-114.7138.7171.1-177169.8000108.8C221 L260 M347 L348 L365 M368C221-I235 HydrophobicContact CB-CG2 3.87Å; C221-I235 PolarHBondContact N-O 3.08Å; C221-I235 WeakPolarHBondContact O-CG2 3.49Å; C221-I235 PolarHBondContact O-N 3.3Å; I235-L260 HydrophobicContact CD1-CD2 3.8Å; I235-L260 HydrophobicContact CG1-CD2 4.38Å; I235-M347 HydrophobicContact CD1-CE 3.91Å; I235-M347 HydrophobicContact CD1-CG 4.37Å; I235-L348 HydrophobicContact CG2-CD2 3.84Å; I235-L365 HydrophobicContact CD1-CD1 4.14Å; I235-M368 HydrophobicContact CG2-CE 4.02Å; I235-M368 HydrophobicContact CG2-SD 4.18Å
236W95.3Very high75.8Confident84 Ų8457.2 Ų57.232%0.31832%0.323SS..EExtended strand (participates in β ladder)trans-119.1129.4172-61-79.9000110.2T218 G219 T234 S258 T259T218-W236 HydrophobicContact CG2-CB 4.03Å; T218-W236 HydrophobicContact CG2-CG 4.26Å; G219-W236 CarbonylContact O-C 3.54Å; G219-W236 VanDerWaalsContact O-CA 3.29Å; G219-W236 WeakPolarHBondContact O-CA 3.43Å; T234-W236 HydrophobicContact CG2-CD2 4.09Å; T234-W236 HydrophobicContact CG2-CE3 4.47Å; T234-W236 HydrophobicContact CG2-CH2 3.89Å; T234-W236 HydrophobicContact CG2-CZ2 3.42Å; T234-W236 VanDerWaalsContact CG2-CZ2 3.42Å; T234-W236 HydrophobicContact CG2-CZ3 4.39Å; W236-S258 CarbonylContact O-C 3.56Å; W236-S258 VanDerWaalsContact O-CA 3.29Å; W236-S258 WeakPolarHBondContact O-CA 3.5Å; W236-T259 HydrophobicContact CE3-CG2 3.8Å; W236-T259 HydrophobicContact CZ3-CG2 4.2Å; W236-T259 PolarHBondContact N-O 3.06Å; W236-T259 PolarHBondContact O-N 2.99Å
237V95.6Very high74.8Confident0 Ų060.9 Ų60.90%035%0.35CS..EExtended strand (participates in β ladder)trans-108114.3168.2-173.90000106.8T218 G219 I256 L365 M368 V369 L372T218-V237 CarbonylContact C-O 3.52Å; T218-V237 WeakPolarHBondContact CA-O 3.44Å; G219-V237 PolarHBondContact N-O 3.37Å; G219-V237 PolarHBondContact O-N 3Å; V237-I256 HydrophobicContact CG1-CG2 3.63Å; V237-L365 HydrophobicContact CG2-CD1 4.45Å; V237-M368 HydrophobicContact CG2-CE 4.06Å; V237-V369 HydrophobicContact CG1-CG2 4.14Å; V237-L372 HydrophobicContact CB-CD2 4.41Å; V237-L372 HydrophobicContact CG1-CD2 3.78Å
238S93.6Very high74Confident2 Ų266.2 Ų66.21%0.01437%0.369CS..EExtended strand (participates in β ladder)trans-119.7134-170.2-58.30000111.1Y217 I256 V257Y217-S238 WeakPolarHBondContact O-CA 3.5Å; S238-I256 WeakPolarHBondContact O-CA 3.39Å; S238-V257 PolarHBondContact N-O 2.97Å; S238-V257 PolarHBondContact O-N 3.44Å
239M91.1Very high72.9Confident0 Ų071.6 Ų71.60%039%0.39CS..EExtended strand (participates in β ladder)trans-93.4124.6170-174.5178.7-72.800109.1Y215 A216 Y217 Q254 I256 M300 L372 L373 A376Y215-M239 CarbonylContact C-O 3.54Å; Y215-M239 VanDerWaalsContact CA-O 3.31Å; Y215-M239 WeakPolarHBondContact CA-O 3.44Å; A216-M239 PolarHBondContact N-O 3.46Å; Y217-M239 HydrophobicContact CD2-SD 4.07Å; Y217-M239 PolarHBondContact O-N 3.27Å; M239-Q254 HydrophobicContact CG-CB 4.21Å; M239-Q254 HydrophobicContact SD-CB 4.36Å; M239-I256 HydrophobicContact CE-CD1 4.41Å; M239-I256 HydrophobicContact CE-CG1 4.42Å; M239-M300 HydrophobicContact CE-CE 3.83Å; M239-M300 HydrophobicContact CE-CG 4.43Å; M239-M300 HydrophobicContact CE-SD 3.89Å; M239-M300 HydrophobicContact SD-CE 3.91Å; M239-L372 HydrophobicContact CB-CD2 4.3Å; M239-L373 HydrophobicContact CE-CD2 4.03Å; M239-A376 HydrophobicContact CE-CB 3.51Å; M239-A376 HydrophobicContact SD-CB 3.74Å
240M87.9Confident72.1Confident19 Ų1974.3 Ų74.39%0.09441%0.409CS..EExtended strand (participates in β ladder)trans-66.5141.1177.8-68.3-146.2-17700111.6K214 Y215 R255 V257 E266K214-M240 VanDerWaalsContact CE-CE 3.42Å; Y215-M240 HydrophobicContact CD1-CG 4.43Å; M240-R255 PolarHBondContact N-O 2.93Å; M240-V257 HydrophobicContact CE-CG1 3.98Å; M240-V257 HydrophobicContact CE-CG2 4.01Å; M240-E266 WeakPolarHBondContact CE-OE1 3.49Å
241A82.7Confident71.1Confident38 Ų3875 Ų7531%0.31443%0.431SS..PPolyproline II helixtrans-68.4153.2172.900000110.8K214 A216 G243K214-A241 PolarHBondContact O-N 2.91Å; A216-A241 HydrophobicContact CB-CB 4.21Å; A241-G243 VanDerWaalsContact C-N 3.26Å; A241-G243 PolarHBondContact O-N 3.08Å
242R73.1Confident70.3Confident216 Ų21674.9 Ų74.982%0.81543%0.425SS*.SBendtrans-72.282.3173.5-64.5-177.3-174.7-1740.3108.8Q254R242-Q254 HydrophobicContact CG-CG 3.7Å; R242-Q254 VanDerWaalsContact NE-CD 3.34Å; R242-Q254 VanDerWaalsContact NE-OE1 3.09Å
243G57Low69.3Low73 Ų7373.6 Ų73.675%0.75343%0.427SS*.  trans176.594.2-177.800000113.3A241A241-G243 VanDerWaalsContact C-N 3.26Å; A241-G243 PolarHBondContact O-N 3.08Å
244G49.7Very low68.6Low36 Ų3674.5 Ų74.537%0.37143%0.429SS..  trans-136.6124.7163.400000109.5G246G244-G246 PolarHBondContact O-N 2.86Å
245Q42Very low68.4Low211 Ų21175.3 Ų75.399%0.98643%0.43SS*.SBendtrans-53.7106.5173.1-82.6175.8-27.600110
246G49.4Very low68.3Low39 Ų3975.2 Ų75.240%0.40243%0.429SS..SBendtrans148.3125.1172.700000113.2G244 K248 K249 S250G244-G246 PolarHBondContact O-N 2.86Å; G246-K248 PolarHBondContact O-N 3.23Å; G246-K248 VanDerWaalsContact O-N 3.09Å; G246-K249 PolarHBondContact O-N 3.42Å; G246-S250 PolarHBondContact O-N 3.04Å
247V46.5Very low68.2Low143 Ų14371.4 Ų71.487%0.86742%0.415SS*.THydrogen-bonded Turntrans-55.7-28.6179.7-175.80000112.7
248K49.4Very low68.1Low194 Ų19471.4 Ų71.484%0.84342%0.415SS*.THydrogen-bonded Turntrans-78.1-20176.9-120.9-178.5-178.4-178.40114.8G246G246-K248 PolarHBondContact O-N 3.23Å; G246-K248 VanDerWaalsContact O-N 3.09Å
249K47.7Very low68.2Low129 Ų12973 Ų7356%0.56143%0.425SS*.THydrogen-bonded Turntrans-96.3-22.8179.9-89.3-177.9176.5174.70113.1G246 A251 I252G246-K249 PolarHBondContact O-N 3.42Å; K249-A251 VanDerWaalsContact C-N 3.26Å; K249-A251 PolarHBondContact O-N 3.37Å; K249-I252 PolarHBondContact O-N 3Å
250S48.5Very low68.2Low97 Ų9773.2 Ų73.268%0.67843%0.426SS*.G310 helixtrans-69.4-21.3175.2-60.90000113.7G246G246-S250 PolarHBondContact O-N 3.04Å
251A48.2Very low68.3Low90 Ų9073 Ų7374%0.74443%0.426SS*.G310 helixtrans-79.7-13.9179.100000114.3K249K249-A251 VanDerWaalsContact C-N 3.26Å; K249-A251 PolarHBondContact O-N 3.37Å
252I57Low68.5Low84 Ų8477.8 Ų77.843%0.43144%0.437SS..G310 helixtrans-96.113.9-167.5-92.9172000113.9K249 R255 P303K249-I252 PolarHBondContact O-N 3Å; I252-R255 VanDerWaalsContact CG2-CD 3.42Å; I252-R255 HydrophobicContact CG2-CG 3.91Å; I252-P303 WeakPolarHBondContact O-CB 3.38Å
253G62.8Low69.3Low49 Ų4968.1 Ų68.151%0.50540%0.401SS..  trans60.5-167174.500000114.6
254Q76.1Confident70.7Confident29 Ų2974 Ų7414%0.13640%0.4CS..  trans-87.1117.2177.4-72.4179.8-77.600110M239 R242M239-Q254 HydrophobicContact CG-CB 4.21Å; M239-Q254 HydrophobicContact SD-CB 4.36Å; R242-Q254 HydrophobicContact CG-CG 3.7Å; R242-Q254 VanDerWaalsContact NE-CD 3.34Å; R242-Q254 VanDerWaalsContact NE-OE1 3.09Å
255R87.3Confident72.7Confident45 Ų4577.6 Ų77.617%0.1741%0.408CS..  trans-96.3145.6-178.7-69.5177.9-75.3158.15.8112.1M240 I252 E307M240-R255 PolarHBondContact N-O 2.93Å; I252-R255 VanDerWaalsContact CG2-CD 3.42Å; I252-R255 HydrophobicContact CG2-CG 3.91Å; R255-E307 VanDerWaalsContact CD-OE2 3.29Å; R255-E307 WeakPolarHBondContact CD-OE2 3.42Å; R255-E307 IonicContact CZ-OE1 3.46Å; R255-E307 IonicContact NH1-OE1 2.85Å; R255-E307 PolarHBondContact NH1-OE1 3.39Å
256I92.7Very high75Confident1 Ų170.2 Ų70.21%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-107.1120.6177.7-54.7175.8000109.7V237 S238 M239 I269 S304 V369 L372 L373V237-I256 HydrophobicContact CG1-CG2 3.63Å; S238-I256 WeakPolarHBondContact O-CA 3.39Å; M239-I256 HydrophobicContact CE-CD1 4.41Å; M239-I256 HydrophobicContact CE-CG1 4.42Å; I256-I269 HydrophobicContact CB-CG2 4.03Å; I256-I269 HydrophobicContact CG2-CB 4.21Å; I256-I269 HydrophobicContact CG2-CG2 3.96Å; I256-I269 PolarHBondContact O-N 3Å; I256-S304 PolarHBondContact N-OG 3.18Å; I256-V369 HydrophobicContact CD1-CG1 4.17Å; I256-L372 HydrophobicContact CG2-CD2 4.26Å; I256-L373 HydrophobicContact CD1-CD2 3.96Å
257V93.4Very high77.2Confident4 Ų468.3 Ų68.32%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-123148.8179.2-63.30000110.8Y215 S238 M240 E266Y215-V257 HydrophobicContact CE1-CG2 4.14Å; S238-V257 PolarHBondContact N-O 2.97Å; S238-V257 PolarHBondContact O-N 3.44Å; M240-V257 HydrophobicContact CE-CG1 3.98Å; M240-V257 HydrophobicContact CE-CG2 4.01Å; V257-E266 HydrophobicContact CB-CB 4.24Å; V257-E266 HydrophobicContact CG2-CB 4.25Å
258S94.7Very high79.5Confident0 Ų062 Ų620%032%0.316CS..EExtended strand (participates in β ladder)trans-108141.8175.368.90000110.7W236 E266 V267 V272W236-S258 CarbonylContact O-C 3.56Å; W236-S258 VanDerWaalsContact O-CA 3.29Å; W236-S258 WeakPolarHBondContact O-CA 3.5Å; S258-E266 CarbonylContact O-C 3.42Å; S258-E266 WeakPolarHBondContact O-CA 3.11Å; S258-V267 PolarHBondContact N-O 3.34Å; S258-V267 PolarHBondContact O-N 3.22Å; S258-V267 PolarHBondContact OG-O 3.21Å; S258-V272 WeakPolarHBondContact OG-CG2 3.26Å
259T94.8Very high81.6Confident36 Ų3652.9 Ų52.922%0.22128%0.276CS..EExtended strand (participates in β ladder)trans-109.6105.9167.8-570000107.5W236W236-T259 HydrophobicContact CE3-CG2 3.8Å; W236-T259 HydrophobicContact CZ3-CG2 4.2Å; W236-T259 PolarHBondContact N-O 3.06Å; W236-T259 PolarHBondContact O-N 2.99Å
260L92.2Very high83.9Confident4 Ų446.8 Ų46.82%0.02125%0.25CC..  trans-85.1148.5179.6-63.1174.7000110.7I235 I263 V272 L343 M347I235-L260 HydrophobicContact CD1-CD2 3.8Å; I235-L260 HydrophobicContact CG1-CD2 4.38Å; L260-I263 HydrophobicContact CB-CB 4.21Å; L260-I263 HydrophobicContact CB-CG1 3.8Å; L260-I263 HydrophobicContact CD1-CG1 4.48Å; L260-I263 PolarHBondContact O-N 3.37Å; L260-V272 HydrophobicContact CD1-CG2 4.32Å; L260-L343 HydrophobicContact CD1-CD2 4.08Å; L260-M347 HydrophobicContact CD2-CE 4.4Å; L260-M347 HydrophobicContact CD2-CG 4.35Å; L260-M347 HydrophobicContact CD2-SD 3.95Å
261P88.9Confident86.1Confident15 Ų1542.3 Ų42.310%0.09722%0.218CC..THydrogen-bonded Turntrans-59.8141.9174.826.3-34.2000110.5I263 E346P261-I263 PolarHBondContact O-N 3.4Å; P261-I263 VanDerWaalsContact O-N 3.09Å; P261-E346 HydrophobicContact CG-CB 3.94Å
262Y86.7Confident88.3Confident139 Ų13938 Ų3855%0.54518%0.183SC..THydrogen-bonded Turntrans63.25.5-178.9-51.8-78000116.6E346Y262-E346 HydrophobicContact CD2-CB 4.23Å; Y262-E346 HydrophobicContact CD2-CG 3.93Å; Y262-E346 HydrophobicContact CE2-CB 4.41Å; Y262-E346 HydrophobicContact CE2-CG 4.02Å; Y262-E346 VanDerWaalsContact CE2-OE2 3.3Å; Y262-E346 WeakPolarHBondContact CE2-OE2 3.45Å
263I90.5Very high90.2Very high13 Ų1334 Ų347%0.06716%0.162CC..  trans-100.9132.5172.4-54.2-57.8000109.5L260 P261 Q265 V267 I321 R324 V342L260-I263 HydrophobicContact CB-CB 4.21Å; L260-I263 HydrophobicContact CB-CG1 3.8Å; L260-I263 HydrophobicContact CD1-CG1 4.48Å; L260-I263 PolarHBondContact O-N 3.37Å; P261-I263 PolarHBondContact O-N 3.4Å; P261-I263 VanDerWaalsContact O-N 3.09Å; I263-Q265 VanDerWaalsContact CG2-O 3.3Å; I263-Q265 WeakPolarHBondContact CG2-O 3.15Å; I263-V267 HydrophobicContact CG2-CG2 4.3Å; I263-I321 HydrophobicContact CD1-CG2 3.95Å; I263-I321 HydrophobicContact CG1-CG2 4.32Å; I263-R324 HydrophobicContact CG2-CB 3.99Å; I263-V342 HydrophobicContact CD1-CG1 4.45Å
264R87.1Confident91.7Very high195 Ų19531.9 Ų31.974%0.73614%0.139SC*.SBendtrans-80.9-27-173.6-64.1179.9179.1-171-3.8113.7R324R264-R324 PolarHBondContact N-O 3.29Å
265Q90.8Very high92.5Very high113 Ų11330.7 Ų30.753%0.52813%0.134SC..SBendtrans-115.4146.5-178.1-62.4-176.21.400110.6I263 R324I263-Q265 VanDerWaalsContact CG2-O 3.3Å; I263-Q265 WeakPolarHBondContact CG2-O 3.15Å; Q265-R324 HydrophobicContact CB-CB 4.19Å; Q265-R324 HydrophobicContact CB-CG 4.19Å
266E91.1Very high92.8Very high55 Ų5528.8 Ų28.826%0.25713%0.127SC..  trans-60.6143.2171.764.3-160.5-178.100111.3K214 Y215 M240 V257 S258 R324K214-E266 IonicContact NZ-OE1 3.6Å; K214-E266 PolarHBondContact NZ-OE1 3.35Å; K214-E266 IonicContact NZ-OE2 3.31Å; K214-E266 PolarHBondContact NZ-OE2 2.99Å; Y215-E266 PolarHBondContact OH-OE2 2.97Å; M240-E266 WeakPolarHBondContact CE-OE1 3.49Å; V257-E266 HydrophobicContact CB-CB 4.24Å; V257-E266 HydrophobicContact CG2-CB 4.25Å; S258-E266 CarbonylContact O-C 3.42Å; S258-E266 WeakPolarHBondContact O-CA 3.11Å; E266-R324 PolarHBondContact O-NH1 3.45Å
267V94.5Very high92.7Very high0 Ų030.5 Ų30.50%015%0.145CC..EExtended strand (participates in β ladder)trans-122127.6-178-178.40000109.1S258 I263 I269 I271 V272 F320 I321S258-V267 PolarHBondContact N-O 3.34Å; S258-V267 PolarHBondContact O-N 3.22Å; S258-V267 PolarHBondContact OG-O 3.21Å; I263-V267 HydrophobicContact CG2-CG2 4.3Å; V267-I269 PolarHBondContact O-N 2.66Å; V267-I271 HydrophobicContact CG1-CB 4.05Å; V267-I271 HydrophobicContact CG1-CG2 4Å; V267-V272 HydrophobicContact CB-CG2 4.35Å; V267-V272 HydrophobicContact CG1-CG2 3.85Å; V267-F320 HydrophobicContact CG1-CE1 4.42Å; V267-I321 HydrophobicContact CG1-CG1 4.16Å
268P94.6Very high92.6Very high11 Ų1131.9 Ų31.97%0.07115%0.15CC..EExtended strand (participates in β ladder)trans-55.7139175.4-22.732.4000111.4I270 I271P268-I270 VanDerWaalsContact C-N 3.3Å; P268-I270 PolarHBondContact O-N 3.46Å; P268-I271 HydrophobicContact CB-CG1 3.98Å; P268-I271 HydrophobicContact CG-CG1 4.19Å; P268-I271 WeakPolarHBondContact O-CB 3.34Å; P268-I271 PolarHBondContact O-N 2.79Å; P268-I271 VanDerWaalsContact O-N 3.13Å
269I94.4Very high92.4Very high1 Ų135.2 Ų35.21%0.00517%0.171CC..Hα-helixtrans-62-37.2-169.4-169.365.3000113.1I256 V267 I271 V272 F273 L365 V369I256-I269 HydrophobicContact CB-CG2 4.03Å; I256-I269 HydrophobicContact CG2-CB 4.21Å; I256-I269 HydrophobicContact CG2-CG2 3.96Å; I256-I269 PolarHBondContact O-N 3Å; V267-I269 PolarHBondContact O-N 2.66Å; I269-I271 VanDerWaalsContact C-N 3.28Å; I269-I271 PolarHBondContact O-N 3.01Å; I269-V272 WeakPolarHBondContact O-CA 3.06Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.41Å; I269-V272 PolarHBondContact O-N 3.27Å; I269-F273 HydrophobicContact CG1-CD2 4.25Å; I269-F273 HydrophobicContact CG1-CE2 3.94Å; I269-F273 WeakPolarHBondContact O-CD2 3.28Å; I269-F273 PolarHBondContact O-N 3.48Å; I269-L365 HydrophobicContact CD1-CD1 3.84Å; I269-L365 HydrophobicContact CD1-CD2 3.84Å; I269-L365 HydrophobicContact CD1-CG 3.92Å; I269-V369 HydrophobicContact CD1-CG2 4.01Å; I269-V369 HydrophobicContact CG1-CG2 3.66Å
270I95.1Very high92.3Very high1 Ų135.8 Ų35.81%0.00518%0.176CC..Hα-helixtrans-64.6-33.5179.6-53.4-57.4000111.6P268 V272 F273 R274 I284 I288 S304 L305 A308P268-I270 VanDerWaalsContact C-N 3.3Å; P268-I270 PolarHBondContact O-N 3.46Å; I270-V272 PolarHBondContact O-N 3.17Å; I270-F273 PolarHBondContact O-N 3.36Å; I270-R274 WeakPolarHBondContact O-CG 3.31Å; I270-R274 PolarHBondContact O-N 3.05Å; I270-I284 HydrophobicContact CD1-CG2 3.83Å; I270-I284 HydrophobicContact CG2-CD1 3.92Å; I270-I288 HydrophobicContact CD1-CD1 4.43Å; I270-S304 WeakPolarHBondContact CG1-O 3.44Å; I270-L305 HydrophobicContact CD1-CD2 3.64Å; I270-L305 HydrophobicContact CD1-CG 4.17Å; I270-L305 HydrophobicContact CG1-CD2 3.91Å; I270-L305 HydrophobicContact CG1-CG 4.34Å; I270-L305 HydrophobicContact CG2-CD2 3.98Å; I270-A308 HydrophobicContact CB-CB 3.54Å; I270-A308 HydrophobicContact CG1-CB 4.38Å; I270-A308 HydrophobicContact CG2-CB 3.51Å
271I95.1Very high92.3Very high3 Ų338.5 Ų38.52%0.01519%0.191CC..Hα-helixtrans-64.5-33.9175-57.3-104.9000110.2V267 P268 I269 A275 A308 I311 A317 F320V267-I271 HydrophobicContact CG1-CB 4.05Å; V267-I271 HydrophobicContact CG1-CG2 4Å; P268-I271 HydrophobicContact CB-CG1 3.98Å; P268-I271 HydrophobicContact CG-CG1 4.19Å; P268-I271 WeakPolarHBondContact O-CB 3.34Å; P268-I271 PolarHBondContact O-N 2.79Å; P268-I271 VanDerWaalsContact O-N 3.13Å; I269-I271 VanDerWaalsContact C-N 3.28Å; I269-I271 PolarHBondContact O-N 3.01Å; I271-A275 WeakPolarHBondContact O-CB 3.48Å; I271-A275 PolarHBondContact O-N 3.27Å; I271-A308 HydrophobicContact CG1-CB 4.22Å; I271-I311 HydrophobicContact CD1-CB 4.07Å; I271-I311 HydrophobicContact CD1-CD1 3.4Å; I271-I311 VanDerWaalsContact CD1-CD1 3.4Å; I271-I311 HydrophobicContact CD1-CG1 4.25Å; I271-A317 HydrophobicContact CG2-CB 4.11Å; I271-F320 HydrophobicContact CD1-CD1 4.44Å; I271-F320 HydrophobicContact CD1-CE1 4.19Å; I271-F320 HydrophobicContact CD1-CZ 4.44Å; I271-F320 HydrophobicContact CG2-CD1 3.81Å; I271-F320 HydrophobicContact CG2-CE1 4.18Å
272V95.4Very high92.4Very high0 Ų045.5 Ų45.50%022%0.215CC..Hα-helixtrans-68.4-43.5177-174.40000110.6S258 L260 V267 I269 I270 R274 A275 L276 L343 M347 L365S258-V272 WeakPolarHBondContact OG-CG2 3.26Å; L260-V272 HydrophobicContact CD1-CG2 4.32Å; V267-V272 HydrophobicContact CB-CG2 4.35Å; V267-V272 HydrophobicContact CG1-CG2 3.85Å; I269-V272 WeakPolarHBondContact O-CA 3.06Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.41Å; I269-V272 PolarHBondContact O-N 3.27Å; I270-V272 PolarHBondContact O-N 3.17Å; V272-R274 PolarHBondContact O-N 3.42Å; V272-A275 WeakPolarHBondContact O-CB 3.46Å; V272-A275 PolarHBondContact O-N 2.98Å; V272-A275 VanDerWaalsContact O-N 3.16Å; V272-L276 WeakPolarHBondContact O-CG 3.18Å; V272-L276 PolarHBondContact O-N 3.1Å; V272-L343 HydrophobicContact CG1-CD2 4.23Å; V272-M347 HydrophobicContact CG1-CE 3.94Å; V272-M347 HydrophobicContact CG1-SD 4.06Å; V272-L365 HydrophobicContact CB-CD2 4.38Å; V272-L365 HydrophobicContact CG1-CD2 3.91Å
273F95.8Very high92.6Very high0 Ų041.8 Ų41.80%021%0.205CC..Hα-helixtrans-59.9-44.2173.3-80.5-78.3000112.6I269 I270 A275 L276 G277 F278 I284 H287 I288 A362 L365I269-F273 HydrophobicContact CG1-CD2 4.25Å; I269-F273 HydrophobicContact CG1-CE2 3.94Å; I269-F273 WeakPolarHBondContact O-CD2 3.28Å; I269-F273 PolarHBondContact O-N 3.48Å; I270-F273 PolarHBondContact O-N 3.36Å; F273-A275 VanDerWaalsContact C-N 3.28Å; F273-A275 PolarHBondContact O-N 3.4Å; F273-L276 WeakPolarHBondContact O-CB 3.31Å; F273-L276 PolarHBondContact O-N 3.28Å; F273-L276 VanDerWaalsContact O-N 3.1Å; F273-G277 PolarHBondContact O-N 3.33Å; F273-F278 PolarHBondContact O-N 3.22Å; F273-F278 VanDerWaalsContact O-N 3.17Å; F273-I284 HydrophobicContact CB-CD1 3.9Å; F273-I284 HydrophobicContact CB-CG1 3.88Å; F273-I284 HydrophobicContact CB-CG2 4Å; F273-I284 HydrophobicContact CD1-CG2 4.31Å; F273-I284 HydrophobicContact CD2-CG2 3.81Å; F273-I284 HydrophobicContact CE2-CG2 4.34Å; F273-I284 HydrophobicContact CG-CG1 4.41Å; F273-I284 HydrophobicContact CG-CG2 3.79Å; F273-H287 HydrophobicContact CE1-CB 4.1Å; F273-I288 HydrophobicContact CE2-CD1 3.86Å; F273-I288 HydrophobicContact CE2-CG1 4.05Å; F273-I288 HydrophobicContact CZ-CD1 4.26Å; F273-I288 HydrophobicContact CZ-CG1 3.93Å; F273-A362 HydrophobicContact CD1-CB 4.26Å; F273-A362 HydrophobicContact CE1-CB 4.13Å; F273-A362 WeakPolarHBondContact CE1-O 3.44Å; F273-L365 HydrophobicContact CD2-CD2 4.26Å; F273-L365 HydrophobicContact CE1-CD2 4.36Å; F273-L365 HydrophobicContact CE2-CD2 3.92Å; F273-L365 HydrophobicContact CE2-CG 4.23Å; F273-L365 HydrophobicContact CZ-CB 4.23Å; F273-L365 HydrophobicContact CZ-CD2 3.97Å; F273-L365 HydrophobicContact CZ-CG 4.07Å
274R94.6Very high92.7Very high5 Ų541.2 Ų41.22%0.01920%0.202CC..Hα-helixtrans-62.2-35.8174.4-69-175.4-179.9-89.90.9112.6I270 V272 L276 G277 F278 V279 D281 I284 I311 Q312 Q314 A317I270-R274 WeakPolarHBondContact O-CG 3.31Å; I270-R274 PolarHBondContact O-N 3.05Å; V272-R274 PolarHBondContact O-N 3.42Å; R274-L276 VanDerWaalsContact C-N 3.33Å; R274-G277 PolarHBondContact O-N 2.8Å; R274-F278 VanDerWaalsContact CA-O 3.3Å; R274-F278 WeakPolarHBondContact CA-O 3.37Å; R274-F278 WeakPolarHBondContact CG-O 3.5Å; R274-V279 VanDerWaalsContact CZ-O 3.31Å; R274-V279 PolarHBondContact NH1-O 2.9Å; R274-V279 PolarHBondContact NH2-O 2.91Å; R274-D281 IonicContact CZ-OD1 3.9Å; R274-D281 IonicContact NH2-OD1 3.13Å; R274-D281 PolarHBondContact NH2-OD1 3.28Å; R274-D281 IonicContact NH2-OD2 2.8Å; R274-I284 HydrophobicContact CG-CD1 4.11Å; R274-I311 WeakPolarHBondContact CD-O 3.39Å; R274-I311 PolarHBondContact NE-O 3.26Å; R274-Q312 PolarHBondContact NH1-O 3.45Å; R274-Q314 WeakPolarHBondContact O-CA 3.35Å; R274-Q314 WeakPolarHBondContact O-CB 3.4Å; R274-Q314 WeakPolarHBondContact O-CG 3.43Å; R274-A317 HydrophobicContact CB-CB 4.2Å
275A93.9Very high92.9Very high3 Ų333.1 Ų33.13%0.02517%0.173CC..Hα-helixtrans-69.8-28.7174.900000113.2I271 V272 F273 G277 Q314 A317 L318 I321 L343I271-A275 WeakPolarHBondContact O-CB 3.48Å; I271-A275 PolarHBondContact O-N 3.27Å; V272-A275 WeakPolarHBondContact O-CB 3.46Å; V272-A275 PolarHBondContact O-N 2.98Å; V272-A275 VanDerWaalsContact O-N 3.16Å; F273-A275 VanDerWaalsContact C-N 3.28Å; F273-A275 PolarHBondContact O-N 3.4Å; A275-G277 PolarHBondContact O-N 3.47Å; A275-Q314 WeakPolarHBondContact O-CG 3.35Å; A275-Q314 PolarHBondContact O-NE2 3.35Å; A275-A317 HydrophobicContact CB-CB 3.99Å; A275-L318 HydrophobicContact CB-CD2 4.04Å; A275-L318 HydrophobicContact CB-CG 4.32Å; A275-I321 HydrophobicContact CB-CD1 3.64Å; A275-L343 HydrophobicContact CB-CD1 3.66Å
276L92.2Very high92.9Very high6 Ų629.7 Ų29.73%0.03116%0.157CC..THydrogen-bonded Turntrans-75.4-8.6172.6-69.8170.3000113.4V272 F273 R274 F278 A362 L365V272-L276 WeakPolarHBondContact O-CG 3.18Å; V272-L276 PolarHBondContact O-N 3.1Å; F273-L276 WeakPolarHBondContact O-CB 3.31Å; F273-L276 PolarHBondContact O-N 3.28Å; F273-L276 VanDerWaalsContact O-N 3.1Å; R274-L276 VanDerWaalsContact C-N 3.33Å; L276-F278 HydrophobicContact CB-CD2 4.24Å; L276-F278 HydrophobicContact CB-CE2 4.5Å; L276-A362 HydrophobicContact CD1-CB 4.09Å; L276-L365 HydrophobicContact CD1-CD2 4.28Å
277G91.1Very high92.9Very high36 Ų3627.6 Ų27.637%0.37115%0.147SC..THydrogen-bonded Turntrans113.9-7.3175.600000115F273 R274 A275 V279F273-G277 PolarHBondContact O-N 3.33Å; R274-G277 PolarHBondContact O-N 2.8Å; A275-G277 PolarHBondContact O-N 3.47Å; G277-V279 PolarHBondContact O-N 2.6Å
278F92.1Very high92.8Very high33 Ų3327.6 Ų27.615%0.14515%0.147CC..  trans-88.7103.2-178.5-60.9-82.4000111.1F273 R274 L276 D283 I284 H287 T359 A362F273-F278 PolarHBondContact O-N 3.22Å; F273-F278 VanDerWaalsContact O-N 3.17Å; R274-F278 VanDerWaalsContact CA-O 3.3Å; R274-F278 WeakPolarHBondContact CA-O 3.37Å; R274-F278 WeakPolarHBondContact CG-O 3.5Å; L276-F278 HydrophobicContact CB-CD2 4.24Å; L276-F278 HydrophobicContact CB-CE2 4.5Å; F278-D283 HydrophobicContact CD1-CB 4.4Å; F278-I284 HydrophobicContact CB-CG1 4.03Å; F278-H287 AromaticContact CD1-CE1 3.79Å; F278-H287 AromaticContact CE1-CE1 3.45Å; F278-H287 VanDerWaalsContact CE1-CE1 3.45Å; F278-H287 WeakPolarHBondContact CE1-CE1 3.49Å; F278-H287 AromaticContact CE1-NE2 3.62Å; F278-H287 AromaticContact CZ-CE1 3.94Å; F278-H287 AromaticContact CZ-NE2 3.64Å; F278-T359 HydrophobicContact CZ-CG2 4.18Å; F278-A362 HydrophobicContact CD2-CB 3.86Å; F278-A362 HydrophobicContact CE2-CB 3.27Å; F278-A362 HydrophobicContact CZ-CB 3.99Å
279V90.6Very high92.6Very high70 Ų7027.2 Ų27.242%0.42415%0.145SC..  trans-94.3-30.6-175.3173.40000112.8R274 G277 Q312R274-V279 VanDerWaalsContact CZ-O 3.31Å; R274-V279 PolarHBondContact NH1-O 2.9Å; R274-V279 PolarHBondContact NH2-O 2.91Å; G277-V279 PolarHBondContact O-N 2.6Å; V279-Q312 WeakPolarHBondContact CG1-O 3.3Å
280S92.6Very high92.1Very high48 Ų4828.1 Ų28.134%0.33615%0.148SC..  trans-74.9126.3178.7164.80000110.1R282 D283 I284S280-R282 PolarHBondContact O-N 3.46Å; S280-R282 PolarHBondContact OG-N 3.16Å; S280-D283 VanDerWaalsContact CB-OD1 3.26Å; S280-D283 WeakPolarHBondContact CB-OD1 3.26Å; S280-D283 WeakPolarHBondContact CB-OD2 3.4Å; S280-D283 PolarHBondContact O-N 3.34Å; S280-D283 PolarHBondContact OG-N 2.97Å; S280-D283 PolarHBondContact OG-OD1 2.82Å; S280-I284 WeakPolarHBondContact O-CG1 3.33Å; S280-I284 PolarHBondContact O-N 2.74Å; S280-I284 VanDerWaalsContact O-N 3.14Å
281D91.3Very high91.7Very high62 Ų6232 Ų3233%0.33217%0.169SC..Hα-helixtrans-64.6-30.1178.2-65.7-40.1000111.8R274 I284 L285 L305R274-D281 IonicContact CZ-OD1 3.9Å; R274-D281 IonicContact NH2-OD1 3.13Å; R274-D281 PolarHBondContact NH2-OD1 3.28Å; R274-D281 IonicContact NH2-OD2 2.8Å; D281-I284 PolarHBondContact O-N 2.89Å; D281-L285 WeakPolarHBondContact O-CB 3.5Å; D281-L285 WeakPolarHBondContact O-CG 3.49Å; D281-L285 PolarHBondContact O-N 2.82Å; D281-L305 HydrophobicContact CB-CD2 4.41Å
282R91.1Very high91.2Very high161 Ų16135.2 Ų35.261%0.60818%0.183SC*.Hα-helixtrans-61.1-49.1173.6-178.3-177.6175.5119.23.4110.4S280 I284 L285 E286S280-R282 PolarHBondContact O-N 3.46Å; S280-R282 PolarHBondContact OG-N 3.16Å; R282-I284 VanDerWaalsContact C-N 3.31Å; R282-I284 PolarHBondContact O-N 3.1Å; R282-L285 WeakPolarHBondContact O-CB 3.09Å; R282-L285 PolarHBondContact O-N 2.88Å; R282-L285 VanDerWaalsContact O-N 3.12Å; R282-E286 HydrophobicContact CG-CG 4.48Å; R282-E286 IonicContact CZ-OE1 3.1Å; R282-E286 IonicContact NE-OE1 3.84Å; R282-E286 PolarHBondContact NE-OE1 3.47Å; R282-E286 IonicContact NH2-OE1 3.43Å; R282-E286 WeakPolarHBondContact O-CG 3.49Å; R282-E286 PolarHBondContact O-N 3.48Å
283D90.1Very high90.9Very high62 Ų6242.2 Ų42.233%0.33222%0.22SC..Hα-helixtrans-62.9-42.5-178.4-52.711.5000109.7F278 S280 L285 E286 H287F278-D283 HydrophobicContact CD1-CB 4.4Å; S280-D283 VanDerWaalsContact CB-OD1 3.26Å; S280-D283 WeakPolarHBondContact CB-OD1 3.26Å; S280-D283 WeakPolarHBondContact CB-OD2 3.4Å; S280-D283 PolarHBondContact O-N 3.34Å; S280-D283 PolarHBondContact OG-N 2.97Å; S280-D283 PolarHBondContact OG-OD1 2.82Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 2.91Å; D283-E286 PolarHBondContact O-N 3.14Å; D283-H287 PolarHBondContact O-N 3.46Å; D283-H287 PolarHBondContact O-ND1 3.15Å
284I92.5Very high90.6Very high0 Ų043.3 Ų43.30%023%0.226CC..Hα-helixtrans-59.6-42.9176.3-61.2174.5000111I270 F273 R274 F278 S280 D281 R282 H287 I288I270-I284 HydrophobicContact CD1-CG2 3.83Å; I270-I284 HydrophobicContact CG2-CD1 3.92Å; F273-I284 HydrophobicContact CB-CD1 3.9Å; F273-I284 HydrophobicContact CB-CG1 3.88Å; F273-I284 HydrophobicContact CB-CG2 4Å; F273-I284 HydrophobicContact CD1-CG2 4.31Å; F273-I284 HydrophobicContact CD2-CG2 3.81Å; F273-I284 HydrophobicContact CE2-CG2 4.34Å; F273-I284 HydrophobicContact CG-CG1 4.41Å; F273-I284 HydrophobicContact CG-CG2 3.79Å; R274-I284 HydrophobicContact CG-CD1 4.11Å; F278-I284 HydrophobicContact CB-CG1 4.03Å; S280-I284 WeakPolarHBondContact O-CG1 3.33Å; S280-I284 PolarHBondContact O-N 2.74Å; S280-I284 VanDerWaalsContact O-N 3.14Å; D281-I284 PolarHBondContact O-N 2.89Å; R282-I284 VanDerWaalsContact C-N 3.31Å; R282-I284 PolarHBondContact O-N 3.1Å; I284-H287 PolarHBondContact O-N 3.32Å; I284-I288 HydrophobicContact CG2-CD1 3.97Å; I284-I288 WeakPolarHBondContact O-CG1 3.48Å; I284-I288 PolarHBondContact O-N 3.17Å
285L91.9Very high90.4Very high25 Ų2547.6 Ų47.613%0.13126%0.255CS..Hα-helixtrans-64.6-40.1176.3-76169.7000111.8D281 R282 D283 H287 I288 I289 F292 V301 L305D281-L285 WeakPolarHBondContact O-CB 3.5Å; D281-L285 WeakPolarHBondContact O-CG 3.49Å; D281-L285 PolarHBondContact O-N 2.82Å; R282-L285 WeakPolarHBondContact O-CB 3.09Å; R282-L285 PolarHBondContact O-N 2.88Å; R282-L285 VanDerWaalsContact O-N 3.12Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 2.91Å; L285-H287 PolarHBondContact O-N 3Å; L285-I288 PolarHBondContact O-N 3.48Å; L285-I289 HydrophobicContact CD2-CD1 4.27Å; L285-I289 PolarHBondContact O-N 3.1Å; L285-F292 HydrophobicContact CB-CE1 3.8Å; L285-F292 HydrophobicContact CB-CZ 3.94Å; L285-V301 HydrophobicContact CD2-CG1 3.62Å; L285-L305 HydrophobicContact CD1-CD1 4.15Å; L285-L305 HydrophobicContact CD2-CD1 4.03Å; L285-L305 HydrophobicContact CG-CD1 4.21Å
286E90.4Very high90.4Very high41 Ų4152.5 Ų52.519%0.19228%0.277CS..Hα-helixtrans-61-29177.6-72.4-179.6-17600112.2R282 D283 F292 P558R282-E286 HydrophobicContact CG-CG 4.48Å; R282-E286 IonicContact CZ-OE1 3.1Å; R282-E286 IonicContact NE-OE1 3.84Å; R282-E286 PolarHBondContact NE-OE1 3.47Å; R282-E286 IonicContact NH2-OE1 3.43Å; R282-E286 WeakPolarHBondContact O-CG 3.49Å; R282-E286 PolarHBondContact O-N 3.48Å; D283-E286 PolarHBondContact O-N 3.14Å; E286-F292 HydrophobicContact CB-CZ 4.1Å; E286-F292 HydrophobicContact CG-CE1 4.48Å; E286-F292 HydrophobicContact CG-CE2 3.49Å; E286-F292 VanDerWaalsContact CG-CE2 3.49Å; E286-F292 HydrophobicContact CG-CZ 3.3Å; E286-P558 HydrophobicContact CB-CB 3.87Å; E286-P558 HydrophobicContact CB-CG 4.08Å
287H90.6Very high90.3Very high11 Ų1152.3 Ų52.35%0.05128%0.276CS..Hα-helixtrans-79.6-25.3175.1-68.476.2000113.3F273 F278 D283 I284 L285 Y363 G366F273-H287 HydrophobicContact CE1-CB 4.1Å; F278-H287 AromaticContact CD1-CE1 3.79Å; F278-H287 AromaticContact CE1-CE1 3.45Å; F278-H287 VanDerWaalsContact CE1-CE1 3.45Å; F278-H287 WeakPolarHBondContact CE1-CE1 3.49Å; F278-H287 AromaticContact CE1-NE2 3.62Å; F278-H287 AromaticContact CZ-CE1 3.94Å; F278-H287 AromaticContact CZ-NE2 3.64Å; D283-H287 PolarHBondContact O-N 3.46Å; D283-H287 PolarHBondContact O-ND1 3.15Å; I284-H287 PolarHBondContact O-N 3.32Å; L285-H287 PolarHBondContact O-N 3Å; H287-Y363 AromaticContact CD2-CD1 3.69Å; H287-Y363 AromaticContact CD2-CD2 3.96Å; H287-Y363 AromaticContact CD2-CE1 3.8Å; H287-Y363 AromaticContact CD2-CG 3.77Å; H287-Y363 AromaticContact NE2-CE2 3.87Å; H287-Y363 AromaticContact NE2-CZ 3.9Å; H287-G366 CarbonylContact O-C 3.53Å; H287-G366 WeakPolarHBondContact O-CA 3.26Å
288I92.3Very high90.2Very high0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-96-44.2-176.9-61.4168000111.4I270 F273 I284 L285 V369 H370 L373I270-I288 HydrophobicContact CD1-CD1 4.43Å; F273-I288 HydrophobicContact CE2-CD1 3.86Å; F273-I288 HydrophobicContact CE2-CG1 4.05Å; F273-I288 HydrophobicContact CZ-CD1 4.26Å; F273-I288 HydrophobicContact CZ-CG1 3.93Å; I284-I288 HydrophobicContact CG2-CD1 3.97Å; I284-I288 WeakPolarHBondContact O-CG1 3.48Å; I284-I288 PolarHBondContact O-N 3.17Å; L285-I288 PolarHBondContact O-N 3.48Å; I288-V369 HydrophobicContact CD1-CG1 4.37Å; I288-V369 HydrophobicContact CG1-CB 4.44Å; I288-V369 HydrophobicContact CG1-CG1 4.45Å; I288-V369 HydrophobicContact CG2-CB 4.04Å; I288-V369 HydrophobicContact CG2-CG1 3.63Å; I288-H370 WeakPolarHBondContact O-CB 3.43Å; I288-H370 PolarHBondContact O-ND1 2.97Å; I288-L373 HydrophobicContact CG2-CD1 3.97Å
289I90.9Very high90.1Very high3 Ų357.9 Ų57.92%0.01529%0.294CS..  trans-121.8107.7-173.4-50.4-179.3000107L285 D291 F292 M297 M298 V301L285-I289 HydrophobicContact CD2-CD1 4.27Å; L285-I289 PolarHBondContact O-N 3.1Å; I289-D291 VanDerWaalsContact C-N 3.31Å; I289-D291 WeakPolarHBondContact CG2-O 3.42Å; I289-F292 HydrophobicContact CB-CD1 4.44Å; I289-F292 HydrophobicContact CB-CE1 4.35Å; I289-F292 HydrophobicContact CG2-CD1 4.43Å; I289-F292 WeakPolarHBondContact O-CE1 3.41Å; I289-M297 HydrophobicContact CB-SD 4.43Å; I289-M297 HydrophobicContact CD1-CB 4.12Å; I289-M297 HydrophobicContact CD1-CG 3.73Å; I289-M297 HydrophobicContact CD1-SD 4.22Å; I289-M297 HydrophobicContact CG1-CG 4.02Å; I289-M297 HydrophobicContact CG1-SD 3.84Å; I289-M297 HydrophobicContact CG2-SD 4.06Å; I289-M298 HydrophobicContact CD1-CG 4.02Å; I289-V301 HydrophobicContact CD1-CG1 4.1Å
290Y85.4Confident90Very high21 Ų2155.9 Ų55.98%0.08228%0.28CS..SBendtrans-78-18.7-178.5-47.7-54.7000113I561 W573Y290-I561 HydrophobicContact CD1-CB 4.29Å; Y290-I561 HydrophobicContact CD1-CG2 3.89Å; Y290-I561 HydrophobicContact CD2-CG2 4.13Å; Y290-I561 HydrophobicContact CE1-CG2 4.15Å; Y290-I561 HydrophobicContact CE2-CG2 4.37Å; Y290-I561 HydrophobicContact CG-CB 4.39Å; Y290-I561 HydrophobicContact CG-CG2 3.88Å; Y290-W573 HydrophobicContact CE1-CH2 4.24Å
291D85Confident89.9Confident81 Ų8153.7 Ų53.743%0.43327%0.265SS..  trans-120.7104.8179.3-176.54.6000110.4I289 D293I289-D291 VanDerWaalsContact C-N 3.31Å; I289-D291 WeakPolarHBondContact CG2-O 3.42Å; D291-D293 PolarHBondContact O-N 2.78Å; D291-D293 WeakPolarHBondContact OD1-CB 3.2Å; D291-D293 PolarHBondContact OD1-N 2.83Å
292F85.9Confident89.9Confident71 Ų7155.4 Ų55.431%0.31127%0.269SS..THydrogen-bonded Turntrans-78.4-4.2-179.7-69.8-27.4000114.4L285 E286 I289 D294L285-F292 HydrophobicContact CB-CE1 3.8Å; L285-F292 HydrophobicContact CB-CZ 3.94Å; E286-F292 HydrophobicContact CB-CZ 4.1Å; E286-F292 HydrophobicContact CG-CE1 4.48Å; E286-F292 HydrophobicContact CG-CE2 3.49Å; E286-F292 VanDerWaalsContact CG-CE2 3.49Å; E286-F292 HydrophobicContact CG-CZ 3.3Å; I289-F292 HydrophobicContact CB-CD1 4.44Å; I289-F292 HydrophobicContact CB-CE1 4.35Å; I289-F292 HydrophobicContact CG2-CD1 4.43Å; I289-F292 WeakPolarHBondContact O-CE1 3.41Å; F292-D294 PolarHBondContact O-N 3.32Å
293D87.6Confident89.8Confident147 Ų14748.9 Ų48.979%0.78625%0.248SC*.THydrogen-bonded Turntrans-78.8-2.3175.1-65.7-27.6000112.3D291 P295D291-D293 PolarHBondContact O-N 2.78Å; D291-D293 WeakPolarHBondContact OD1-CB 3.2Å; D291-D293 PolarHBondContact OD1-N 2.83Å; D293-P295 WeakPolarHBondContact O-CD 3.29Å
294D90Very high89.8Confident23 Ų2346 Ų4612%0.12323%0.232CC..  trans-9693.9177.5-18015.4000113.4F292 E296 M297 M298 R379F292-D294 PolarHBondContact O-N 3.32Å; D294-E296 VanDerWaalsContact C-N 3.27Å; D294-E296 PolarHBondContact O-N 3.12Å; D294-E296 WeakPolarHBondContact OD1-CB 3.48Å; D294-E296 PolarHBondContact OD1-N 3.09Å; D294-M297 VanDerWaalsContact OD2-CB 3.25Å; D294-M297 WeakPolarHBondContact OD2-CB 3.5Å; D294-M298 WeakPolarHBondContact O-CG 3.42Å; D294-M298 PolarHBondContact O-N 3.3Å; D294-R379 IonicContact OD1-CZ 3.35Å; D294-R379 IonicContact OD1-NH1 2.75Å; D294-R379 IonicContact OD1-NH2 2.78Å; D294-R379 PolarHBondContact OD1-NH2 3.4Å; D294-R379 IonicContact OD2-CZ 2.76Å; D294-R379 IonicContact OD2-NH1 2.9Å; D294-R379 PolarHBondContact OD2-NH1 3Å; D294-R379 IonicContact OD2-NH2 3.41Å; D294-R379 PolarHBondContact OD2-NH2 3.43Å
295P91.2Very high89.7Confident96 Ų9647.3 Ų47.362%0.62324%0.239SC*.Hα-helixtrans-69.6-23.6-177.429.9-37.3000113D293 M298 E299D293-P295 WeakPolarHBondContact O-CD 3.29Å; P295-M298 PolarHBondContact O-N 3.03Å; P295-E299 WeakPolarHBondContact O-CB 3.46Å; P295-E299 PolarHBondContact O-N 2.76Å
296E92.5Very high89.6Confident105 Ų10551.2 Ų51.249%0.49126%0.26SS..Hα-helixtrans-69.4-44.9-175.8-172.9-176.4-150.100110.9D294 M298 E299 M300 L377 R379D294-E296 VanDerWaalsContact C-N 3.27Å; D294-E296 PolarHBondContact O-N 3.12Å; D294-E296 WeakPolarHBondContact OD1-CB 3.48Å; D294-E296 PolarHBondContact OD1-N 3.09Å; E296-M298 VanDerWaalsContact C-N 3.35Å; E296-E299 PolarHBondContact O-N 3.24Å; E296-M300 PolarHBondContact O-N 2.84Å; E296-M300 VanDerWaalsContact O-N 3.16Å; E296-L377 HydrophobicContact CG-CD1 4.27Å; E296-L377 HydrophobicContact CG-CD2 3.85Å; E296-R379 IonicContact OE2-CZ 2.89Å; E296-R379 IonicContact OE2-NE 3.43Å; E296-R379 IonicContact OE2-NH2 3.32Å; E296-R379 PolarHBondContact OE2-NH2 2.89Å
297M91Very high89.5Confident2 Ų252.3 Ų52.31%0.0127%0.265CS..Hα-helixtrans-68.3-36.4176.7-165.4175.6-59.700111.6I289 D294 M300 V301 L373 L374 L377I289-M297 HydrophobicContact CB-SD 4.43Å; I289-M297 HydrophobicContact CD1-CB 4.12Å; I289-M297 HydrophobicContact CD1-CG 3.73Å; I289-M297 HydrophobicContact CD1-SD 4.22Å; I289-M297 HydrophobicContact CG1-CG 4.02Å; I289-M297 HydrophobicContact CG1-SD 3.84Å; I289-M297 HydrophobicContact CG2-SD 4.06Å; D294-M297 VanDerWaalsContact OD2-CB 3.25Å; D294-M297 WeakPolarHBondContact OD2-CB 3.5Å; M297-M300 PolarHBondContact O-N 3.05Å; M297-V301 PolarHBondContact O-N 2.57Å; M297-L373 HydrophobicContact CG-CB 4.18Å; M297-L373 HydrophobicContact CG-CD1 3.72Å; M297-L373 HydrophobicContact CG-CG 4.45Å; M297-L373 HydrophobicContact SD-CB 4.29Å; M297-L373 HydrophobicContact SD-CD1 4.08Å; M297-L374 HydrophobicContact CE-CD2 3.91Å; M297-L377 HydrophobicContact CB-CD1 4.25Å; M297-L377 HydrophobicContact CE-CD1 4.4Å
298M89.5Confident89.4Confident70 Ų7051.9 Ų51.935%0.34526%0.263SS..Hα-helixtrans-64.2-44.6175.2-68.2-177.572.800112.6I289 D294 P295 E296 M300 V301 K302I289-M298 HydrophobicContact CD1-CG 4.02Å; D294-M298 WeakPolarHBondContact O-CG 3.42Å; D294-M298 PolarHBondContact O-N 3.3Å; P295-M298 PolarHBondContact O-N 3.03Å; E296-M298 VanDerWaalsContact C-N 3.35Å; M298-M300 PolarHBondContact O-N 3Å; M298-V301 WeakPolarHBondContact O-CG1 3.46Å; M298-V301 PolarHBondContact O-N 3.12Å; M298-K302 WeakPolarHBondContact O-CB 3.12Å; M298-K302 PolarHBondContact O-N 3.18Å; M298-K302 VanDerWaalsContact O-N 3.09Å
299E89.9Confident89.3Confident117 Ų11758.2 Ų58.255%0.54729%0.291SS..Hα-helixtrans-65.6-31.1177.5-174.263.4-164.900111.3P295 E296 K302 P303P295-E299 WeakPolarHBondContact O-CB 3.46Å; P295-E299 PolarHBondContact O-N 2.76Å; E296-E299 PolarHBondContact O-N 3.24Å; E299-K302 WeakPolarHBondContact OE2-CD 3.1Å; E299-K302 IonicContact OE2-NZ 3Å; E299-K302 PolarHBondContact OE2-NZ 2.76Å; E299-P303 WeakPolarHBondContact O-CD 3.19Å
300M88.5Confident89.3Confident28 Ų2863.9 Ų63.914%0.13833%0.326CS..Hα-helixtrans-70.8-34.6177.4-161.9176.8-139.900113.3M239 E296 M297 M298 P303 L373 A376 L377M239-M300 HydrophobicContact CE-CE 3.83Å; M239-M300 HydrophobicContact CE-CG 4.43Å; M239-M300 HydrophobicContact CE-SD 3.89Å; M239-M300 HydrophobicContact SD-CE 3.91Å; E296-M300 PolarHBondContact O-N 2.84Å; E296-M300 VanDerWaalsContact O-N 3.16Å; M297-M300 PolarHBondContact O-N 3.05Å; M298-M300 PolarHBondContact O-N 3Å; M300-P303 WeakPolarHBondContact O-CD 3.2Å; M300-L373 HydrophobicContact CB-CD2 4.22Å; M300-L373 HydrophobicContact CG-CD2 3.89Å; M300-L373 HydrophobicContact SD-CD2 3.58Å; M300-L373 VanDerWaalsContact SD-CD2 3.58Å; M300-A376 HydrophobicContact CE-CB 3.65Å; M300-A376 HydrophobicContact SD-CB 4.07Å; M300-L377 HydrophobicContact CE-CD2 4.13Å; M300-L377 HydrophobicContact SD-CD2 3.7Å; M300-L377 HydrophobicContact SD-CG 3.91Å
301V91.3Very high89.7Confident1 Ų163.5 Ų63.51%0.00633%0.325CS..Hα-helixtrans-84.7-27-179.7750000113.1L285 I289 M297 M298 P303 S304 L305L285-V301 HydrophobicContact CD2-CG1 3.62Å; I289-V301 HydrophobicContact CD1-CG1 4.1Å; M297-V301 PolarHBondContact O-N 2.57Å; M298-V301 WeakPolarHBondContact O-CG1 3.46Å; M298-V301 PolarHBondContact O-N 3.12Å; V301-P303 VanDerWaalsContact C-CD 3.44Å; V301-S304 WeakPolarHBondContact O-CB 3.19Å; V301-S304 PolarHBondContact O-N 2.85Å; V301-L305 HydrophobicContact CG1-CD1 4.43Å; V301-L305 PolarHBondContact O-N 2.78Å
302K90.1Very high89.9Confident99 Ų9964.4 Ų64.443%0.4333%0.327SS..Hα-helixtrans-47.8-44.3-177.6178.7-177.8175.5-1730115.3M298 E299 S304 L305 D306M298-K302 WeakPolarHBondContact O-CB 3.12Å; M298-K302 PolarHBondContact O-N 3.18Å; M298-K302 VanDerWaalsContact O-N 3.09Å; E299-K302 WeakPolarHBondContact OE2-CD 3.1Å; E299-K302 IonicContact OE2-NZ 3Å; E299-K302 PolarHBondContact OE2-NZ 2.76Å; K302-S304 PolarHBondContact O-N 3.07Å; K302-S304 VanDerWaalsContact O-N 3.14Å; K302-L305 WeakPolarHBondContact O-CB 3.43Å; K302-L305 PolarHBondContact O-N 3.34Å; K302-D306 PolarHBondContact O-N 2.96Å
303P89.9Confident90.3Very high24 Ų2467 Ų6716%0.15634%0.34CS..Hα-helixtrans-63.3-25.1179-19.630.9000114I252 E299 M300 V301 E307I252-P303 WeakPolarHBondContact O-CB 3.38Å; E299-P303 WeakPolarHBondContact O-CD 3.19Å; M300-P303 WeakPolarHBondContact O-CD 3.2Å; V301-P303 VanDerWaalsContact C-CD 3.44Å; P303-E307 PolarHBondContact O-N 2.91Å
304S90.4Very high90.6Very high1 Ų163 Ų631%0.00732%0.316CS..Hα-helixtrans-80.1-27.2175.5-54.50000112.2I256 I270 V301 K302I256-S304 PolarHBondContact N-OG 3.18Å; I270-S304 WeakPolarHBondContact CG1-O 3.44Å; V301-S304 WeakPolarHBondContact O-CB 3.19Å; V301-S304 PolarHBondContact O-N 2.85Å; K302-S304 PolarHBondContact O-N 3.07Å; K302-S304 VanDerWaalsContact O-N 3.14Å
305L90.3Very high90.7Very high28 Ų2866.2 Ų66.215%0.14733%0.333CS..Hα-helixtrans-70.3-47.6170.9-73.9167.1000110.8I270 D281 L285 V301 K302 E307 A308 F309I270-L305 HydrophobicContact CD1-CD2 3.64Å; I270-L305 HydrophobicContact CD1-CG 4.17Å; I270-L305 HydrophobicContact CG1-CD2 3.91Å; I270-L305 HydrophobicContact CG1-CG 4.34Å; I270-L305 HydrophobicContact CG2-CD2 3.98Å; D281-L305 HydrophobicContact CB-CD2 4.41Å; L285-L305 HydrophobicContact CD1-CD1 4.15Å; L285-L305 HydrophobicContact CD2-CD1 4.03Å; L285-L305 HydrophobicContact CG-CD1 4.21Å; V301-L305 HydrophobicContact CG1-CD1 4.43Å; V301-L305 PolarHBondContact O-N 2.78Å; K302-L305 WeakPolarHBondContact O-CB 3.43Å; K302-L305 PolarHBondContact O-N 3.34Å; L305-E307 PolarHBondContact O-N 2.99Å; L305-A308 PolarHBondContact O-N 3Å; L305-F309 PolarHBondContact O-N 3.09Å
306D89.4Confident90.9Very high107 Ų10764.1 Ų64.157%0.57232%0.319SS*.Hα-helixtrans-58.4-36.8178.4-69.1-19.6000112K302 A308K302-D306 PolarHBondContact O-N 2.96Å; D306-A308 VanDerWaalsContact C-N 3.32Å; D306-A308 PolarHBondContact O-N 2.86Å
307E87.1Confident91Very high64 Ų6459.1 Ų59.130%0.29930%0.295SS..Hα-helixtrans-65.7-33.4175.8-176.7173-138.500112.9R255 P303 L305R255-E307 VanDerWaalsContact CD-OE2 3.29Å; R255-E307 WeakPolarHBondContact CD-OE2 3.42Å; R255-E307 IonicContact CZ-OE1 3.46Å; R255-E307 IonicContact NH1-OE1 2.85Å; R255-E307 PolarHBondContact NH1-OE1 3.39Å; P303-E307 PolarHBondContact O-N 2.91Å; L305-E307 PolarHBondContact O-N 2.99Å
308A89.8Confident91.1Very high1 Ų159.2 Ų59.21%0.00830%0.296CS..Hα-helixtrans-88.5-7.9-175.900000114.1I270 I271 L305 D306 V310 I311I270-A308 HydrophobicContact CB-CB 3.54Å; I270-A308 HydrophobicContact CG1-CB 4.38Å; I270-A308 HydrophobicContact CG2-CB 3.51Å; I271-A308 HydrophobicContact CG1-CB 4.22Å; L305-A308 PolarHBondContact O-N 3Å; D306-A308 VanDerWaalsContact C-N 3.32Å; D306-A308 PolarHBondContact O-N 2.86Å; A308-V310 PolarHBondContact O-N 3.49Å; A308-I311 PolarHBondContact O-N 3.34Å
309F89.9Confident91.3Very high134 Ų13457.5 Ų57.559%0.58829%0.288SS*.THydrogen-bonded Turntrans-52.8-27.8-177.9-174.5-98.5000114.1L305 I311L305-F309 PolarHBondContact O-N 3.09Å; F309-I311 PolarHBondContact O-N 3.11Å
310V91.3Very high91.5Very high122 Ų12254.4 Ų54.474%0.73927%0.273SS*.THydrogen-bonded Turntrans-63.8-20.3179.3-66.50000114.6A308A308-V310 PolarHBondContact O-N 3.49Å
311I92.6Very high91.7Very high13 Ų1353.1 Ų53.17%0.06727%0.267CS..  trans-125.9110.8-177.5-68.5161.7000108.3I271 R274 A308 F309 V316 A317 F320I271-I311 HydrophobicContact CD1-CB 4.07Å; I271-I311 HydrophobicContact CD1-CD1 3.4Å; I271-I311 VanDerWaalsContact CD1-CD1 3.4Å; I271-I311 HydrophobicContact CD1-CG1 4.25Å; R274-I311 WeakPolarHBondContact CD-O 3.39Å; R274-I311 PolarHBondContact NE-O 3.26Å; A308-I311 PolarHBondContact O-N 3.34Å; F309-I311 PolarHBondContact O-N 3.11Å; I311-V316 HydrophobicContact CG1-CG1 4.05Å; I311-V316 HydrophobicContact CG2-CB 4.08Å; I311-V316 HydrophobicContact CG2-CG1 3.95Å; I311-A317 HydrophobicContact CG2-CB 3.9Å; I311-F320 HydrophobicContact CD1-CB 4.15Å; I311-F320 HydrophobicContact CD1-CD2 3.66Å; I311-F320 HydrophobicContact CD1-CE2 4.01Å; I311-F320 HydrophobicContact CD1-CG 3.91Å
312Q90.6Very high91.7Very high100 Ų10053 Ų5347%0.46727%0.266SS..  trans-107-16.2-179.4-64.8-176.1-10.900114R274 V279R274-Q312 PolarHBondContact NH1-O 3.45Å; V279-Q312 WeakPolarHBondContact CG1-O 3.3Å
313E93.3Very high91.7Very high126 Ų12651.4 Ų51.459%0.58927%0.267SS*.SBendtrans-105144.1-178.4-65179.8-175.300113.4N315 V316 A317E313-N315 PolarHBondContact O-N 3.2Å; E313-V316 HydrophobicContact CB-CB 4.36Å; E313-V316 HydrophobicContact CB-CG2 4.02Å; E313-V316 PolarHBondContact O-N 3.37Å; E313-A317 PolarHBondContact O-N 3Å
314Q93.7Very high91.7Very high62 Ų6252.9 Ų52.929%0.2927%0.27SS..Hα-helixtrans-58.2-46.5177.6-175.7-177.723.200112.7R274 A275 V316 A317 L318R274-Q314 WeakPolarHBondContact O-CA 3.35Å; R274-Q314 WeakPolarHBondContact O-CB 3.4Å; R274-Q314 WeakPolarHBondContact O-CG 3.43Å; A275-Q314 WeakPolarHBondContact O-CG 3.35Å; A275-Q314 PolarHBondContact O-NE2 3.35Å; Q314-V316 VanDerWaalsContact C-N 3.25Å; Q314-V316 PolarHBondContact O-N 3.34Å; Q314-A317 WeakPolarHBondContact O-CB 3.18Å; Q314-A317 PolarHBondContact O-N 3.03Å; Q314-A317 VanDerWaalsContact O-N 3.13Å; Q314-L318 HydrophobicContact CG-CD1 4.03Å; Q314-L318 HydrophobicContact CG-CG 4.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.32Å; Q314-L318 PolarHBondContact O-N 2.82Å
315N93.6Very high91.4Very high90 Ų9053.3 Ų53.348%0.48127%0.274SS..Hα-helixtrans-62.9-33-178.5-75.6-33.3000112.6E313 N319 I336E313-N315 PolarHBondContact O-N 3.2Å; N315-N319 WeakPolarHBondContact O-CB 3.29Å; N315-N319 PolarHBondContact O-N 3.35Å; N315-N319 VanDerWaalsContact O-N 3.09Å; N315-I336 HydrophobicContact CB-CD1 4.46Å
316V94.8Very high90.8Very high52 Ų5253.2 Ų53.232%0.31528%0.277SS..Hα-helixtrans-72.7-41.7176-178.10000110.1I311 E313 Q314 N319 F320I311-V316 HydrophobicContact CG1-CG1 4.05Å; I311-V316 HydrophobicContact CG2-CB 4.08Å; I311-V316 HydrophobicContact CG2-CG1 3.95Å; E313-V316 HydrophobicContact CB-CB 4.36Å; E313-V316 HydrophobicContact CB-CG2 4.02Å; E313-V316 PolarHBondContact O-N 3.37Å; Q314-V316 VanDerWaalsContact C-N 3.25Å; Q314-V316 PolarHBondContact O-N 3.34Å; V316-N319 PolarHBondContact O-N 3.47Å; V316-F320 WeakPolarHBondContact O-CB 3.29Å; V316-F320 PolarHBondContact O-N 2.88Å
317A94Very high90.2Very high0 Ų055.5 Ų55.50%028%0.282CS..Hα-helixtrans-62.2-43.1174.400000112.5I271 R274 A275 I311 E313 Q314 N319 F320 I321I271-A317 HydrophobicContact CG2-CB 4.11Å; R274-A317 HydrophobicContact CB-CB 4.2Å; A275-A317 HydrophobicContact CB-CB 3.99Å; I311-A317 HydrophobicContact CG2-CB 3.9Å; E313-A317 PolarHBondContact O-N 3Å; Q314-A317 WeakPolarHBondContact O-CB 3.18Å; Q314-A317 PolarHBondContact O-N 3.03Å; Q314-A317 VanDerWaalsContact O-N 3.13Å; A317-N319 PolarHBondContact O-N 3.16Å; A317-F320 WeakPolarHBondContact O-CB 3.45Å; A317-F320 PolarHBondContact O-N 2.86Å; A317-I321 WeakPolarHBondContact O-CG1 3.39Å; A317-I321 PolarHBondContact O-N 2.91Å
318L94Very high89.6Confident5 Ų559 Ų593%0.02631%0.31CS..Hα-helixtrans-62.9-42.8175.1-73.2171000111.9A275 Q314 F320 I321 G322 I336 A339 K340 L343A275-L318 HydrophobicContact CB-CD2 4.04Å; A275-L318 HydrophobicContact CB-CG 4.32Å; Q314-L318 HydrophobicContact CG-CD1 4.03Å; Q314-L318 HydrophobicContact CG-CG 4.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.32Å; Q314-L318 PolarHBondContact O-N 2.82Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.39Å; L318-I321 PolarHBondContact O-N 3.1Å; L318-G322 PolarHBondContact O-N 2.92Å; L318-I336 HydrophobicContact CB-CB 4.41Å; L318-I336 HydrophobicContact CB-CG1 4.24Å; L318-I336 HydrophobicContact CB-CG2 4Å; L318-I336 HydrophobicContact CD1-CG2 3.88Å; L318-A339 HydrophobicContact CB-CB 4.36Å; L318-A339 HydrophobicContact CD2-CB 4.05Å; L318-A339 WeakPolarHBondContact O-CB 3.2Å; L318-K340 HydrophobicContact CD2-CB 4.43Å; L318-L343 HydrophobicContact CD2-CD1 3.71Å
319N93.3Very high88.8Confident34 Ų3462.8 Ų62.818%0.18235%0.35CS..Hα-helixtrans-64.7-35.9174.7177.153.1000112N315 V316 A317 G322 S323 K332 R335 I336N315-N319 WeakPolarHBondContact O-CB 3.29Å; N315-N319 PolarHBondContact O-N 3.35Å; N315-N319 VanDerWaalsContact O-N 3.09Å; V316-N319 PolarHBondContact O-N 3.47Å; A317-N319 PolarHBondContact O-N 3.16Å; N319-G322 PolarHBondContact O-N 2.89Å; N319-S323 WeakPolarHBondContact O-CB 3.4Å; N319-S323 PolarHBondContact O-N 2.91Å; N319-K332 HydrophobicContact CB-CG 4.39Å; N319-R335 PolarHBondContact OD1-NH1 2.7Å; N319-I336 HydrophobicContact CB-CD1 4.4Å; N319-I336 HydrophobicContact CB-CG1 3.99Å
320F93.3Very high88.5Confident52 Ų5258.5 Ų58.523%0.22833%0.334CS..Hα-helixtrans-61.9-48.4175.5-176.4-94.9000111.7V267 I271 I311 V316 A317 L318 S323 R324V267-F320 HydrophobicContact CG1-CE1 4.42Å; I271-F320 HydrophobicContact CD1-CD1 4.44Å; I271-F320 HydrophobicContact CD1-CE1 4.19Å; I271-F320 HydrophobicContact CD1-CZ 4.44Å; I271-F320 HydrophobicContact CG2-CD1 3.81Å; I271-F320 HydrophobicContact CG2-CE1 4.18Å; I311-F320 HydrophobicContact CD1-CB 4.15Å; I311-F320 HydrophobicContact CD1-CD2 3.66Å; I311-F320 HydrophobicContact CD1-CE2 4.01Å; I311-F320 HydrophobicContact CD1-CG 3.91Å; V316-F320 WeakPolarHBondContact O-CB 3.29Å; V316-F320 PolarHBondContact O-N 2.88Å; A317-F320 WeakPolarHBondContact O-CB 3.45Å; A317-F320 PolarHBondContact O-N 2.86Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.39Å; F320-S323 PolarHBondContact O-N 3.11Å; F320-S323 PolarHBondContact O-OG 2.74Å; F320-R324 PolarHBondContact O-N 3.09Å
321I93.3Very high88.4Confident0 Ų057.2 Ų57.20%033%0.327CS..Hα-helixtrans-61.4-47.4173.8-64.5171.8000110.4I263 V267 A275 A317 L318 S323 R324 G325 A339 L343I263-I321 HydrophobicContact CD1-CG2 3.95Å; I263-I321 HydrophobicContact CG1-CG2 4.32Å; V267-I321 HydrophobicContact CG1-CG1 4.16Å; A275-I321 HydrophobicContact CB-CD1 3.64Å; A317-I321 WeakPolarHBondContact O-CG1 3.39Å; A317-I321 PolarHBondContact O-N 2.91Å; L318-I321 PolarHBondContact O-N 3.1Å; I321-S323 VanDerWaalsContact C-N 3.29Å; I321-S323 PolarHBondContact O-N 2.91Å; I321-R324 PolarHBondContact O-N 2.69Å; I321-G325 PolarHBondContact O-N 3.06Å; I321-G325 VanDerWaalsContact O-N 3.11Å; I321-A339 HydrophobicContact CB-CB 4.18Å; I321-A339 HydrophobicContact CG2-CB 4.1Å; I321-L343 HydrophobicContact CD1-CD1 4.15Å
322G91.6Very high88.2Confident0 Ų062 Ų620%035%0.347CS..Hα-helixtrans-59-37.7-179.900000113.1L318 N319 R324 G325 A326L318-G322 PolarHBondContact O-N 2.92Å; N319-G322 PolarHBondContact O-N 2.89Å; G322-R324 VanDerWaalsContact C-N 3.27Å; G322-R324 PolarHBondContact O-N 3.27Å; G322-G325 PolarHBondContact O-N 3.4Å; G322-A326 VanDerWaalsContact O-CB 3.31Å; G322-A326 WeakPolarHBondContact O-CB 3.45Å; G322-A326 PolarHBondContact O-N 3Å
323S90.2Very high88.2Confident64 Ų6464.1 Ų64.145%0.44836%0.357SS..Hα-helixtrans-65.9-26175.776.70000114N319 F320 I321N319-S323 WeakPolarHBondContact O-CB 3.4Å; N319-S323 PolarHBondContact O-N 2.91Å; F320-S323 PolarHBondContact O-N 3.11Å; F320-S323 PolarHBondContact O-OG 2.74Å; I321-S323 VanDerWaalsContact C-N 3.29Å; I321-S323 PolarHBondContact O-N 2.91Å
324R89.8Confident88Confident56 Ų5667 Ų6721%0.21136%0.362CS..Hα-helixtrans-90.4-18.5179.8-70.2177.4170.4-168.2-2.2113.3I263 R264 Q265 E266 F320 I321 G322I263-R324 HydrophobicContact CG2-CB 3.99Å; R264-R324 PolarHBondContact N-O 3.29Å; Q265-R324 HydrophobicContact CB-CB 4.19Å; Q265-R324 HydrophobicContact CB-CG 4.19Å; E266-R324 PolarHBondContact O-NH1 3.45Å; F320-R324 PolarHBondContact O-N 3.09Å; I321-R324 PolarHBondContact O-N 2.69Å; G322-R324 VanDerWaalsContact C-N 3.27Å; G322-R324 PolarHBondContact O-N 3.27Å
325G83.1Confident87.8Confident9 Ų967 Ų679%0.09336%0.36CS..Hα-helixtrans-95.8-52.2175.500000113.7I321 G322I321-G325 PolarHBondContact O-N 3.06Å; I321-G325 VanDerWaalsContact O-N 3.11Å; G322-G325 PolarHBondContact O-N 3.4Å
326A78.1Confident87.7Confident26 Ų2664.1 Ų64.122%0.21534%0.344CS..SBendtrans-78.4156-171.700000113.1G322 R335 Y338G322-A326 VanDerWaalsContact O-CB 3.31Å; G322-A326 WeakPolarHBondContact O-CB 3.45Å; G322-A326 PolarHBondContact O-N 3Å; A326-R335 HydrophobicContact CB-CG 4.35Å; A326-Y338 HydrophobicContact CB-CD1 4.43Å
327K77.1Confident87.5Confident156 Ų15669 Ų6968%0.67836%0.361SS*.PPolyproline II helixtrans-63.9144.7172.5-68.5-178-178.4177.80110.3G329K327-G329 PolarHBondContact O-N 3.04Å
328P73.7Confident87.4Confident136 Ų13672.8 Ų72.888%0.88338%0.376SS*.THydrogen-bonded Turntrans-54.7136.1172.5-2231.9000111
329G73.1Confident87.3Confident82 Ų8272.5 Ų72.585%0.84538%0.375SS*.THydrogen-bonded Turntrans114.5-7.1177.500000116.1K327K327-G329 PolarHBondContact O-N 3.04Å
330V84.8Confident87.2Confident44 Ų4475 Ų7527%0.26738%0.384SS..  trans-81142.7175.2-177.40000111R334 R335V330-R334 HydrophobicContact CG1-CB 3.61Å; V330-R334 HydrophobicContact CG1-CG 3.75Å; V330-R335 HydrophobicContact CB-CG 4.24Å; V330-R335 HydrophobicContact CG1-CG 4.19Å; V330-R335 VanDerWaalsContact O-CZ 3.27Å; V330-R335 PolarHBondContact O-NE 3.04Å; V330-R335 PolarHBondContact O-NH2 2.75Å
331T89.7Confident87.1Confident95 Ų9577 Ų7758%0.58339%0.394SS*.  trans-61.1157.7176.660.60000112.7E333 R334 R335T331-E333 PolarHBondContact O-N 3.02Å; T331-R334 PolarHBondContact O-N 3.2Å; T331-R334 WeakPolarHBondContact OG1-CB 3.41Å; T331-R335 PolarHBondContact O-N 3.28Å; T331-R335 VanDerWaalsContact O-N 3.09Å
332K88.4Confident87Confident114 Ų11477.3 Ų77.350%0.49640%0.396SS..Hα-helixtrans-56.4-47.9179.2-177.7-177.4175.7-173.90111.5N319 R334 R335 I336N319-K332 HydrophobicContact CB-CG 4.39Å; K332-R334 PolarHBondContact O-N 3.43Å; K332-R335 WeakPolarHBondContact O-CB 3.26Å; K332-R335 PolarHBondContact O-N 3.4Å; K332-I336 HydrophobicContact CG-CD1 3.99Å; K332-I336 WeakPolarHBondContact O-CG1 3.45Å; K332-I336 PolarHBondContact O-N 3.41Å
333E89.4Confident87Confident144 Ų14477.6 Ų77.667%0.67340%0.397SS*.Hα-helixtrans-62.7-42.8-178.5-67.7-165.4167.100113.4T331 R335 I336 K337T331-E333 PolarHBondContact O-N 3.02Å; E333-R335 VanDerWaalsContact C-N 3.28Å; E333-R335 PolarHBondContact O-N 2.89Å; E333-I336 PolarHBondContact O-N 3.2Å; E333-K337 PolarHBondContact O-N 3.45Å
334R88.8Confident87Confident185 Ų18575.8 Ų75.870%0.69838%0.382SS*.Hα-helixtrans-69-30.4179.6-169.4170.6-173.3175.44.5111.4V330 T331 K332 Y338V330-R334 HydrophobicContact CG1-CB 3.61Å; V330-R334 HydrophobicContact CG1-CG 3.75Å; T331-R334 PolarHBondContact O-N 3.2Å; T331-R334 WeakPolarHBondContact OG1-CB 3.41Å; K332-R334 PolarHBondContact O-N 3.43Å; R334-Y338 VanDerWaalsContact O-CB 3.27Å; R334-Y338 WeakPolarHBondContact O-CB 3.47Å; R334-Y338 PolarHBondContact O-N 3.46Å
335R89.2Confident86.9Confident64 Ų6476.2 Ų76.224%0.24239%0.385CS..Hα-helixtrans-65.5-43.5169.3-81.7-177.3-102.5152.5-16112.3N319 A326 V330 T331 K332 E333 Y338 A339N319-R335 PolarHBondContact OD1-NH1 2.7Å; A326-R335 HydrophobicContact CB-CG 4.35Å; V330-R335 HydrophobicContact CB-CG 4.24Å; V330-R335 HydrophobicContact CG1-CG 4.19Å; V330-R335 VanDerWaalsContact O-CZ 3.27Å; V330-R335 PolarHBondContact O-NE 3.04Å; V330-R335 PolarHBondContact O-NH2 2.75Å; T331-R335 PolarHBondContact O-N 3.28Å; T331-R335 VanDerWaalsContact O-N 3.09Å; K332-R335 WeakPolarHBondContact O-CB 3.26Å; K332-R335 PolarHBondContact O-N 3.4Å; E333-R335 VanDerWaalsContact C-N 3.28Å; E333-R335 PolarHBondContact O-N 2.89Å; R335-Y338 PolarHBondContact O-N 3.22Å; R335-A339 WeakPolarHBondContact O-CB 3.29Å; R335-A339 PolarHBondContact O-N 3.26Å
336I92Very high87.2Confident28 Ų2877.7 Ų77.714%0.14439%0.39CS..Hα-helixtrans-62.9-49.3177.3-69.2168.8000110.2N315 L318 N319 K332 E333 Y338 A339 K340N315-I336 HydrophobicContact CB-CD1 4.46Å; L318-I336 HydrophobicContact CB-CB 4.41Å; L318-I336 HydrophobicContact CB-CG1 4.24Å; L318-I336 HydrophobicContact CB-CG2 4Å; L318-I336 HydrophobicContact CD1-CG2 3.88Å; N319-I336 HydrophobicContact CB-CD1 4.4Å; N319-I336 HydrophobicContact CB-CG1 3.99Å; K332-I336 HydrophobicContact CG-CD1 3.99Å; K332-I336 WeakPolarHBondContact O-CG1 3.45Å; K332-I336 PolarHBondContact O-N 3.41Å; E333-I336 PolarHBondContact O-N 3.2Å; I336-Y338 VanDerWaalsContact C-N 3.33Å; I336-Y338 PolarHBondContact O-N 3.41Å; I336-A339 PolarHBondContact O-N 2.99Å; I336-K340 WeakPolarHBondContact O-CB 3.37Å; I336-K340 PolarHBondContact O-N 3.45Å
337K90.9Very high87.9Confident155 Ų15576.5 Ų76.567%0.67438%0.38SS*.Hα-helixtrans-57.9-44.6176.4-73.8-175.1177.5-178.80112E333 K340 E341E333-K337 PolarHBondContact O-N 3.45Å; K337-K340 PolarHBondContact O-N 3.11Å; K337-E341 PolarHBondContact O-N 3.44Å
338Y91.3Very high88.6Confident79 Ų7969.1 Ų69.131%0.3135%0.348SS..Hα-helixtrans-61.3-47175.8173.4-104.2000112.4A326 R334 R335 I336 K340 E341 V342A326-Y338 HydrophobicContact CB-CD1 4.43Å; R334-Y338 VanDerWaalsContact O-CB 3.27Å; R334-Y338 WeakPolarHBondContact O-CB 3.47Å; R334-Y338 PolarHBondContact O-N 3.46Å; R335-Y338 PolarHBondContact O-N 3.22Å; I336-Y338 VanDerWaalsContact C-N 3.33Å; I336-Y338 PolarHBondContact O-N 3.41Å; Y338-K340 VanDerWaalsContact C-N 3.35Å; Y338-K340 PolarHBondContact O-N 3.06Å; Y338-E341 PolarHBondContact O-N 2.81Å; Y338-V342 HydrophobicContact CD2-CG2 4.48Å; Y338-V342 HydrophobicContact CE1-CG2 4.09Å; Y338-V342 HydrophobicContact CE2-CG2 4.05Å; Y338-V342 WeakPolarHBondContact O-CG2 3.09Å; Y338-V342 PolarHBondContact O-N 3.1Å
339A91.4Very high89.5Confident0 Ų062.9 Ų62.90%031%0.307CS..Hα-helixtrans-63.3-41.1178.400000111.9L318 I321 R335 I336 V342 L343L318-A339 HydrophobicContact CB-CB 4.36Å; L318-A339 HydrophobicContact CD2-CB 4.05Å; L318-A339 WeakPolarHBondContact O-CB 3.2Å; I321-A339 HydrophobicContact CB-CB 4.18Å; I321-A339 HydrophobicContact CG2-CB 4.1Å; R335-A339 WeakPolarHBondContact O-CB 3.29Å; R335-A339 PolarHBondContact O-N 3.26Å; I336-A339 PolarHBondContact O-N 2.99Å; A339-V342 PolarHBondContact O-N 3.21Å; A339-L343 WeakPolarHBondContact O-CG 3.38Å; A339-L343 PolarHBondContact O-N 2.66Å
340K91.9Very high90.4Very high87 Ų8759.8 Ų59.838%0.37827%0.271SS..Hα-helixtrans-60.2-45.9175.1-171.1173.2-177.2177.70111L318 I336 K337 Y338 V342 L343 Q344L318-K340 HydrophobicContact CD2-CB 4.43Å; I336-K340 WeakPolarHBondContact O-CB 3.37Å; I336-K340 PolarHBondContact O-N 3.45Å; K337-K340 PolarHBondContact O-N 3.11Å; Y338-K340 VanDerWaalsContact C-N 3.35Å; Y338-K340 PolarHBondContact O-N 3.06Å; K340-V342 VanDerWaalsContact C-N 3.33Å; K340-V342 PolarHBondContact O-N 3.06Å; K340-L343 PolarHBondContact O-N 2.98Å; K340-Q344 VanDerWaalsContact O-CB 3.26Å; K340-Q344 WeakPolarHBondContact O-CB 3.44Å; K340-Q344 PolarHBondContact O-N 3.17Å
341E91.1Very high90.8Very high93 Ų9358.4 Ų58.444%0.43526%0.262SS..Hα-helixtrans-62-39.1177.1-175.1169.3-153.900112.6K337 Y338 Q344 K345K337-E341 PolarHBondContact O-N 3.44Å; Y338-E341 PolarHBondContact O-N 2.81Å; E341-Q344 PolarHBondContact O-N 3.39Å; E341-K345 HydrophobicContact CG-CD 3.91Å; E341-K345 HydrophobicContact CG-CG 4.41Å; E341-K345 WeakPolarHBondContact O-CB 3.49Å; E341-K345 PolarHBondContact O-N 3.37Å; E341-K345 IonicContact OE1-NZ 4Å; E341-K345 PolarHBondContact OE1-NZ 3.1Å
342V91.3Very high90.7Very high6 Ų654.6 Ų54.64%0.03624%0.241CC..Iπ-helixtrans-63.4-45.9175.5171.10000111.3I263 Y338 A339 K340 Q344 E346 M347I263-V342 HydrophobicContact CD1-CG1 4.45Å; Y338-V342 HydrophobicContact CD2-CG2 4.48Å; Y338-V342 HydrophobicContact CE1-CG2 4.09Å; Y338-V342 HydrophobicContact CE2-CG2 4.05Å; Y338-V342 WeakPolarHBondContact O-CG2 3.09Å; Y338-V342 PolarHBondContact O-N 3.1Å; A339-V342 PolarHBondContact O-N 3.21Å; K340-V342 VanDerWaalsContact C-N 3.33Å; K340-V342 PolarHBondContact O-N 3.06Å; V342-Q344 VanDerWaalsContact C-N 3.33Å; V342-Q344 PolarHBondContact O-N 3.07Å; V342-E346 HydrophobicContact CG1-CB 4.22Å; V342-E346 WeakPolarHBondContact O-CA 3.42Å; V342-E346 VanDerWaalsContact O-CB 3.31Å; V342-E346 WeakPolarHBondContact O-CB 3.26Å; V342-E346 PolarHBondContact O-N 2.87Å; V342-M347 PolarHBondContact O-N 2.82Å
343L91.4Very high90.7Very high6 Ų651.9 Ų51.93%0.03123%0.234CC..Iπ-helixtrans-66.9-35.8178.4-67175.3000112.2L260 V272 A275 L318 I321 A339 K340 M347 K361L260-L343 HydrophobicContact CD1-CD2 4.08Å; V272-L343 HydrophobicContact CG1-CD2 4.23Å; A275-L343 HydrophobicContact CB-CD1 3.66Å; L318-L343 HydrophobicContact CD2-CD1 3.71Å; I321-L343 HydrophobicContact CD1-CD1 4.15Å; A339-L343 WeakPolarHBondContact O-CG 3.38Å; A339-L343 PolarHBondContact O-N 2.66Å; K340-L343 PolarHBondContact O-N 2.98Å; L343-M347 HydrophobicContact CD2-SD 3.64Å; L343-K361 PolarHBondContact O-NZ 3.26Å
344Q90.1Very high90.6Very high26 Ų2646.8 Ų46.812%0.12122%0.215CC..Iπ-helixtrans-76.7-42.7-178.9-172-177.610.500112.9K340 E341 V342 D355 K361K340-Q344 VanDerWaalsContact O-CB 3.26Å; K340-Q344 WeakPolarHBondContact O-CB 3.44Å; K340-Q344 PolarHBondContact O-N 3.17Å; E341-Q344 PolarHBondContact O-N 3.39Å; V342-Q344 VanDerWaalsContact C-N 3.33Å; V342-Q344 PolarHBondContact O-N 3.07Å; Q344-D355 VanDerWaalsContact CD-OD1 3.28Å; Q344-D355 VanDerWaalsContact NE2-N 3.15Å; Q344-D355 PolarHBondContact NE2-OD1 3.39Å; Q344-D355 PolarHBondContact OE1-OD1 2.87Å; Q344-K361 VanDerWaalsContact C-NZ 3.34Å; Q344-K361 PolarHBondContact O-NZ 3.02Å
345K88.4Confident90.1Very high66 Ų6642.8 Ų42.829%0.28721%0.207SC..Iπ-helixtrans-107.4-31.4-170.4-63.9-175-170.9166.20114.4R230 E341 P349R230-K345 PolarHBondContact NH1-O 3.29Å; E341-K345 HydrophobicContact CG-CD 3.91Å; E341-K345 HydrophobicContact CG-CG 4.41Å; E341-K345 WeakPolarHBondContact O-CB 3.49Å; E341-K345 PolarHBondContact O-N 3.37Å; E341-K345 IonicContact OE1-NZ 4Å; E341-K345 PolarHBondContact OE1-NZ 3.1Å; K345-P349 WeakPolarHBondContact O-CG 3.3Å
346E89.7Confident89.9Confident40 Ų4046.9 Ų46.919%0.18723%0.227CC..Iπ-helixtrans-100.3-34.3-173.4-56.2-54.714100113.1R230 S233 P261 Y262 V342 P349R230-E346 IonicContact CZ-OE1 2.8Å; R230-E346 IonicContact NH1-OE1 3.6Å; R230-E346 PolarHBondContact NH1-OE1 2.69Å; R230-E346 IonicContact NH1-OE2 2.69Å; S233-E346 WeakPolarHBondContact CB-O 3.33Å; S233-E346 PolarHBondContact OG-O 3.13Å; P261-E346 HydrophobicContact CG-CB 3.94Å; Y262-E346 HydrophobicContact CD2-CB 4.23Å; Y262-E346 HydrophobicContact CD2-CG 3.93Å; Y262-E346 HydrophobicContact CE2-CB 4.41Å; Y262-E346 HydrophobicContact CE2-CG 4.02Å; Y262-E346 VanDerWaalsContact CE2-OE2 3.3Å; Y262-E346 WeakPolarHBondContact CE2-OE2 3.45Å; V342-E346 HydrophobicContact CG1-CB 4.22Å; V342-E346 WeakPolarHBondContact O-CA 3.42Å; V342-E346 VanDerWaalsContact O-CB 3.31Å; V342-E346 WeakPolarHBondContact O-CB 3.26Å; V342-E346 PolarHBondContact O-N 2.87Å; E346-P349 WeakPolarHBondContact O-CD 3.5Å
347M91.6Very high89.7Confident1 Ų145.9 Ų45.91%0.00522%0.222CC..SBendtrans-77.9122.4174.7-179.4178-17800110.7I235 L260 V272 V342 L343 K361 L365I235-M347 HydrophobicContact CD1-CE 3.91Å; I235-M347 HydrophobicContact CD1-CG 4.37Å; L260-M347 HydrophobicContact CD2-CE 4.4Å; L260-M347 HydrophobicContact CD2-CG 4.35Å; L260-M347 HydrophobicContact CD2-SD 3.95Å; V272-M347 HydrophobicContact CG1-CE 3.94Å; V272-M347 HydrophobicContact CG1-SD 4.06Å; V342-M347 PolarHBondContact O-N 2.82Å; L343-M347 HydrophobicContact CD2-SD 3.64Å; M347-K361 PolarHBondContact O-NZ 2.98Å; M347-L365 HydrophobicContact CE-CB 4.3Å; M347-L365 HydrophobicContact CE-CD1 3.62Å; M347-L365 HydrophobicContact CE-CD2 3.61Å; M347-L365 HydrophobicContact CE-CG 4.03Å
348L92.6Very high89.5Confident1 Ų140.6 Ų40.61%0.00520%0.2CC..SBendtrans45.654.8176.6-55.5169.5000114.9I235 H350 V351 F364 M368I235-L348 HydrophobicContact CG2-CD2 3.84Å; L348-H350 PolarHBondContact O-N 2.92Å; L348-V351 HydrophobicContact CB-CG2 4.25Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.09Å; L348-F364 HydrophobicContact CD1-CB 4.48Å; L348-F364 HydrophobicContact CD1-CD1 3.77Å; L348-F364 HydrophobicContact CD2-CD1 3.89Å; L348-F364 HydrophobicContact CD2-CE1 3.91Å; L348-F364 HydrophobicContact CG-CD1 4.41Å; L348-M368 HydrophobicContact CD2-SD 4.13Å
349P92.1Very high89.4Confident5 Ų539.4 Ų39.43%0.03220%0.201CC..THydrogen-bonded Turntrans-53.2-32.8-176.9-26.132.2000115.3S223 L225 S233 K345 E346 V351 G352 V353S223-P349 VanDerWaalsContact OG-CD 3.26Å; S223-P349 WeakPolarHBondContact OG-CD 3.47Å; L225-P349 HydrophobicContact CB-CB 4.39Å; S233-P349 WeakPolarHBondContact OG-CD 3.49Å; S233-P349 WeakPolarHBondContact OG-CG 3.44Å; K345-P349 WeakPolarHBondContact O-CG 3.3Å; E346-P349 WeakPolarHBondContact O-CD 3.5Å; P349-V351 VanDerWaalsContact C-N 3.25Å; P349-V351 PolarHBondContact O-N 3.35Å; P349-G352 PolarHBondContact O-N 3.03Å; P349-V353 HydrophobicContact CB-CG1 4.23Å
350H92.3Very high89.3Confident17 Ų1742.7 Ų42.78%0.07922%0.215CC..THydrogen-bonded Turntrans-62.7-23.6179.570.3-47.2000115.3N203 S223 L348 F364N203-H350 VanDerWaalsContact CG-CD2 3.47Å; N203-H350 VanDerWaalsContact OD1-CB 3.32Å; N203-H350 WeakPolarHBondContact OD1-CB 3.48Å; S223-H350 WeakPolarHBondContact OG-CB 3.34Å; S223-H350 VanDerWaalsContact OG-CG 3.23Å; S223-H350 PolarHBondContact OG-N 3.12Å; S223-H350 PolarHBondContact OG-ND1 2.8Å; L348-H350 PolarHBondContact O-N 2.92Å; H350-F364 AromaticContact CE1-CE1 3.83Å; H350-F364 AromaticContact NE2-CE1 3.8Å; H350-F364 AromaticContact NE2-CZ 3.53Å
351V92.3Very high89.4Confident15 Ų1538.7 Ų38.79%0.09120%0.198CC..THydrogen-bonded Turntrans-81.2-30.7177.5-178.40000110.8L348 P349 K360 K361 F364L348-V351 HydrophobicContact CB-CG2 4.25Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.09Å; P349-V351 VanDerWaalsContact C-N 3.25Å; P349-V351 PolarHBondContact O-N 3.35Å; V351-K360 HydrophobicContact CG1-CB 3.63Å; V351-K361 HydrophobicContact CB-CG 4.17Å; V351-K361 HydrophobicContact CG1-CG 4.08Å; V351-F364 HydrophobicContact CG2-CB 4.15Å; V351-F364 HydrophobicContact CG2-CD1 4.4Å; V351-F364 HydrophobicContact CG2-CD2 4.39Å; V351-F364 HydrophobicContact CG2-CG 4.05Å
352G88.7Confident89.5Confident14 Ų1434.2 Ų34.214%0.14418%0.177CC..  trans159.3153.6179.900000112.6P349 K361P349-G352 PolarHBondContact O-N 3.03Å; G352-K361 WeakPolarHBondContact O-CE 3.18Å; G352-K361 PolarHBondContact O-NZ 3.4Å
353V88.4Confident89.6Confident58 Ų5834.8 Ų34.835%0.35218%0.179SC..  trans-123.3-0.2178.9-65.10000113.4P349P349-V353 HydrophobicContact CB-CG1 4.23Å
354S87.8Confident89.7Confident37 Ų3734.7 Ų34.726%0.25918%0.178SC..SBendtrans-84.7164.4177.449.60000112.2F356 C357S354-F356 VanDerWaalsContact C-N 3.29Å; S354-F356 VanDerWaalsContact CB-CE1 3.49Å; S354-F356 PolarHBondContact O-N 2.73Å; S354-F356 WeakPolarHBondContact OG-CZ 3.38Å; S354-C357 PolarHBondContact OG-SG 3.35Å
355D78.4Confident90Very high100 Ų10033.4 Ų33.454%0.53517%0.172SC..G310 helixtrans-63.8-30.9-178.7-72.9-50.9000113.1Q344Q344-D355 VanDerWaalsContact CD-OD1 3.28Å; Q344-D355 VanDerWaalsContact NE2-N 3.15Å; Q344-D355 PolarHBondContact NE2-OD1 3.39Å; Q344-D355 PolarHBondContact OE1-OD1 2.87Å
356F84.5Confident90.3Very high150 Ų15030.3 Ų30.366%0.65816%0.158SC*.G310 helixtrans-87.7-1.1-174.956.6-93.8000114.4S354S354-F356 VanDerWaalsContact C-N 3.29Å; S354-F356 VanDerWaalsContact CB-CE1 3.49Å; S354-F356 PolarHBondContact O-N 2.73Å; S354-F356 WeakPolarHBondContact OG-CZ 3.38Å
357C86.8Confident90.5Very high7 Ų729.1 Ų29.15%0.04715%0.153CC..G310 helixtrans-91.311.8-178.9-70.10000114.4S354 T359 K361S354-C357 PolarHBondContact OG-SG 3.35Å; C357-T359 VanDerWaalsContact C-N 3.32Å; C357-T359 PolarHBondContact O-N 2.91Å; C357-K361 WeakPolarHBondContact O-CG 3.37Å; C357-K361 PolarHBondContact O-N 2.97Å
358E86.8Confident90.8Very high45 Ų4529.1 Ų29.121%0.2115%0.152CC..Hα-helixtrans-64.2-36-177.1-68.1175.7165.600112.2K361 A362E358-K361 PolarHBondContact O-N 3.49Å; E358-A362 PolarHBondContact O-N 3.47Å
359T88.9Confident90.9Very high54 Ų5429 Ų2933%0.33115%0.152SC..Hα-helixtrans-63.2-52.2176.250.80000112F278 C357 K361 A362 Y363F278-T359 HydrophobicContact CZ-CG2 4.18Å; C357-T359 VanDerWaalsContact C-N 3.32Å; C357-T359 PolarHBondContact O-N 2.91Å; T359-K361 VanDerWaalsContact C-N 3.25Å; T359-K361 PolarHBondContact O-N 2.89Å; T359-A362 WeakPolarHBondContact O-CB 3.43Å; T359-A362 PolarHBondContact O-N 3.26Å; T359-Y363 WeakPolarHBondContact O-CD2 3.4Å; T359-Y363 PolarHBondContact O-N 3.27Å
360K90.9Very high91.1Very high68 Ų6830.4 Ų30.430%0.29616%0.158SC..Hα-helixtrans-57.6-39.3176.8-59.7-174.4-154-1720111.9V351 Y363 F364 E554V351-K360 HydrophobicContact CG1-CB 3.63Å; K360-Y363 PolarHBondContact O-N 2.85Å; K360-F364 PolarHBondContact O-N 3.19Å; K360-E554 WeakPolarHBondContact CE-OE1 3.4Å; K360-E554 HydrophobicContact CG-CG 4.37Å; K360-E554 IonicContact NZ-OE1 2.65Å
361K93.2Very high91.2Very high3 Ų330.2 Ų30.21%0.01316%0.156CC..Hα-helixtrans-65.3-38175.6-73-174.5-173-160.80112.6L343 Q344 M347 V351 G352 C357 E358 T359 F364 L365L343-K361 PolarHBondContact O-NZ 3.26Å; Q344-K361 VanDerWaalsContact C-NZ 3.34Å; Q344-K361 PolarHBondContact O-NZ 3.02Å; M347-K361 PolarHBondContact O-NZ 2.98Å; V351-K361 HydrophobicContact CB-CG 4.17Å; V351-K361 HydrophobicContact CG1-CG 4.08Å; G352-K361 WeakPolarHBondContact O-CE 3.18Å; G352-K361 PolarHBondContact O-NZ 3.4Å; C357-K361 WeakPolarHBondContact O-CG 3.37Å; C357-K361 PolarHBondContact O-N 2.97Å; E358-K361 PolarHBondContact O-N 3.49Å; T359-K361 VanDerWaalsContact C-N 3.25Å; T359-K361 PolarHBondContact O-N 2.89Å; K361-F364 PolarHBondContact O-N 3.49Å; K361-L365 VanDerWaalsContact O-CB 3.29Å; K361-L365 WeakPolarHBondContact O-CB 3.31Å; K361-L365 PolarHBondContact O-N 3.43Å
362A92.9Very high91.4Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-64.5-43.5176.100000111.3F273 L276 F278 E358 T359 L365 G366F273-A362 HydrophobicContact CD1-CB 4.26Å; F273-A362 HydrophobicContact CE1-CB 4.13Å; F273-A362 WeakPolarHBondContact CE1-O 3.44Å; L276-A362 HydrophobicContact CD1-CB 4.09Å; F278-A362 HydrophobicContact CD2-CB 3.86Å; F278-A362 HydrophobicContact CE2-CB 3.27Å; F278-A362 HydrophobicContact CZ-CB 3.99Å; E358-A362 PolarHBondContact O-N 3.47Å; T359-A362 WeakPolarHBondContact O-CB 3.43Å; T359-A362 PolarHBondContact O-N 3.26Å; A362-L365 PolarHBondContact O-N 3.22Å; A362-G366 PolarHBondContact O-N 2.91Å
363Y92.8Very high91.6Very high18 Ų1828.8 Ų28.87%0.07115%0.145CC..Hα-helixtrans-58.9-47.7172.9-85.6-67.9000112.7H287 T359 K360 L365 G366 Y367 L553 I561 W573H287-Y363 AromaticContact CD2-CD1 3.69Å; H287-Y363 AromaticContact CD2-CD2 3.96Å; H287-Y363 AromaticContact CD2-CE1 3.8Å; H287-Y363 AromaticContact CD2-CG 3.77Å; H287-Y363 AromaticContact NE2-CE2 3.87Å; H287-Y363 AromaticContact NE2-CZ 3.9Å; T359-Y363 WeakPolarHBondContact O-CD2 3.4Å; T359-Y363 PolarHBondContact O-N 3.27Å; K360-Y363 PolarHBondContact O-N 2.85Å; Y363-L365 VanDerWaalsContact C-N 3.34Å; Y363-L365 PolarHBondContact O-N 3.01Å; Y363-G366 PolarHBondContact O-N 3.19Å; Y363-Y367 PolarHBondContact O-N 3.44Å; Y363-L553 VanDerWaalsContact CB-CD2 3.41Å; Y363-L553 HydrophobicContact CD1-CD2 4.36Å; Y363-L553 HydrophobicContact CD2-CD2 3.66Å; Y363-L553 HydrophobicContact CD2-CG 4.12Å; Y363-L553 HydrophobicContact CE2-CD2 4.48Å; Y363-L553 HydrophobicContact CE2-CG 4.48Å; Y363-L553 HydrophobicContact CG-CD2 3.57Å; Y363-L553 HydrophobicContact CG-CG 4.23Å; Y363-I561 HydrophobicContact CE1-CD1 3.87Å; Y363-W573 AromaticContact CD1-CH2 3.97Å; Y363-W573 HydrophobicContact CD1-CH2 3.97Å; Y363-W573 AromaticContact CD1-CZ3 3.77Å; Y363-W573 HydrophobicContact CD1-CZ3 3.77Å; Y363-W573 HydrophobicContact CG-CZ3 4.06Å
364F95.3Very high91.9Very high3 Ų327 Ų271%0.01313%0.133CC..Hα-helixtrans-65.2-37.8178.4-167.5-91.6000112.4V205 L348 H350 V351 K360 K361 G366 Y367 M368 F568 G571 W573V205-F364 HydrophobicContact CG2-CE1 4.06Å; V205-F364 HydrophobicContact CG2-CZ 3.81Å; L348-F364 HydrophobicContact CD1-CB 4.48Å; L348-F364 HydrophobicContact CD1-CD1 3.77Å; L348-F364 HydrophobicContact CD2-CD1 3.89Å; L348-F364 HydrophobicContact CD2-CE1 3.91Å; L348-F364 HydrophobicContact CG-CD1 4.41Å; H350-F364 AromaticContact CE1-CE1 3.83Å; H350-F364 AromaticContact NE2-CE1 3.8Å; H350-F364 AromaticContact NE2-CZ 3.53Å; V351-F364 HydrophobicContact CG2-CB 4.15Å; V351-F364 HydrophobicContact CG2-CD1 4.4Å; V351-F364 HydrophobicContact CG2-CD2 4.39Å; V351-F364 HydrophobicContact CG2-CG 4.05Å; K360-F364 PolarHBondContact O-N 3.19Å; K361-F364 PolarHBondContact O-N 3.49Å; F364-G366 VanDerWaalsContact C-N 3.33Å; F364-Y367 WeakPolarHBondContact O-CB 3.11Å; F364-Y367 PolarHBondContact O-N 3.34Å; F364-M368 HydrophobicContact CD1-CG 4.14Å; F364-M368 HydrophobicContact CD1-SD 4.17Å; F364-M368 HydrophobicContact CE1-CG 3.95Å; F364-M368 HydrophobicContact CE1-SD 3.9Å; F364-M368 WeakPolarHBondContact O-CG 3.46Å; F364-M368 PolarHBondContact O-N 3.17Å; F364-F568 HydrophobicContact CE2-CE1 4.21Å; F364-G571 WeakPolarHBondContact CE2-O 3.45Å; F364-W573 HydrophobicContact CD2-CB 4.28Å
365L95.6Very high92.2Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-64.5-40.7173.5-17466.4000111.3I235 V237 I269 V272 F273 L276 M347 K361 A362 Y363 M368 V369I235-L365 HydrophobicContact CD1-CD1 4.14Å; V237-L365 HydrophobicContact CG2-CD1 4.45Å; I269-L365 HydrophobicContact CD1-CD1 3.84Å; I269-L365 HydrophobicContact CD1-CD2 3.84Å; I269-L365 HydrophobicContact CD1-CG 3.92Å; V272-L365 HydrophobicContact CB-CD2 4.38Å; V272-L365 HydrophobicContact CG1-CD2 3.91Å; F273-L365 HydrophobicContact CD2-CD2 4.26Å; F273-L365 HydrophobicContact CE1-CD2 4.36Å; F273-L365 HydrophobicContact CE2-CD2 3.92Å; F273-L365 HydrophobicContact CE2-CG 4.23Å; F273-L365 HydrophobicContact CZ-CB 4.23Å; F273-L365 HydrophobicContact CZ-CD2 3.97Å; F273-L365 HydrophobicContact CZ-CG 4.07Å; L276-L365 HydrophobicContact CD1-CD2 4.28Å; M347-L365 HydrophobicContact CE-CB 4.3Å; M347-L365 HydrophobicContact CE-CD1 3.62Å; M347-L365 HydrophobicContact CE-CD2 3.61Å; M347-L365 HydrophobicContact CE-CG 4.03Å; K361-L365 VanDerWaalsContact O-CB 3.29Å; K361-L365 WeakPolarHBondContact O-CB 3.31Å; K361-L365 PolarHBondContact O-N 3.43Å; A362-L365 PolarHBondContact O-N 3.22Å; Y363-L365 VanDerWaalsContact C-N 3.34Å; Y363-L365 PolarHBondContact O-N 3.01Å; L365-M368 WeakPolarHBondContact O-CB 3.22Å; L365-M368 PolarHBondContact O-N 3.01Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.28Å
366G94.8Very high92.9Very high0 Ų021.6 Ų21.60%011%0.105CC..Hα-helixtrans-58.7-48.8173.500000111.7H287 A362 Y363 F364 M368 V369 H370H287-G366 CarbonylContact O-C 3.53Å; H287-G366 WeakPolarHBondContact O-CA 3.26Å; A362-G366 PolarHBondContact O-N 2.91Å; Y363-G366 PolarHBondContact O-N 3.19Å; F364-G366 VanDerWaalsContact C-N 3.33Å; G366-M368 VanDerWaalsContact C-N 3.34Å; G366-M368 PolarHBondContact O-N 3.4Å; G366-V369 PolarHBondContact O-N 2.99Å; G366-V369 VanDerWaalsContact O-N 3.1Å; G366-H370 WeakPolarHBondContact O-CB 3.38Å; G366-H370 PolarHBondContact O-N 3.3Å
367Y94.9Very high93.3Very high16 Ų1616.4 Ų16.46%0.0638%0.084CC..Hα-helixtrans-56.3-42.6171.7175-105.5000112.9V205 Y363 F364 V369 H370 R371 F568 E611V205-Y367 HydrophobicContact CG2-CD1 4.41Å; V205-Y367 HydrophobicContact CG2-CE1 4.22Å; Y363-Y367 PolarHBondContact O-N 3.44Å; F364-Y367 WeakPolarHBondContact O-CB 3.11Å; F364-Y367 PolarHBondContact O-N 3.34Å; Y367-V369 VanDerWaalsContact C-N 3.33Å; Y367-V369 PolarHBondContact O-N 3Å; Y367-H370 WeakPolarHBondContact O-CB 3.36Å; Y367-H370 PolarHBondContact O-N 3.16Å; Y367-R371 WeakPolarHBondContact O-CB 3.2Å; Y367-R371 PolarHBondContact O-N 3.48Å; Y367-F568 HydrophobicContact CD1-CE1 4.26Å; Y367-F568 HydrophobicContact CD1-CZ 4.15Å; Y367-F568 HydrophobicContact CD2-CZ 4.31Å; Y367-F568 HydrophobicContact CE1-CE1 4.05Å; Y367-F568 AromaticContact CE1-CZ 3.81Å; Y367-F568 HydrophobicContact CE1-CZ 3.81Å; Y367-F568 AromaticContact CE2-CZ 3.97Å; Y367-F568 HydrophobicContact CE2-CZ 3.97Å; Y367-F568 HydrophobicContact CG-CZ 4.39Å; Y367-F568 AromaticContact CZ-CZ 3.71Å; Y367-E611 WeakPolarHBondContact CE2-OE1 3.05Å; Y367-E611 VanDerWaalsContact CZ-OE1 3.27Å; Y367-E611 PolarHBondContact OH-OE1 3.31Å; Y367-E611 PolarHBondContact OH-OE2 3.48Å
368M96.1Very high93.6Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-61-40.4175.3-75.6-171.170.100112.8V205 C221 I235 V237 L348 F364 L365 G366 L372V205-M368 HydrophobicContact CB-CG 4.49Å; V205-M368 HydrophobicContact CG1-CE 4.24Å; V205-M368 HydrophobicContact CG1-CG 4.05Å; V205-M368 HydrophobicContact CG2-CG 3.57Å; V205-M368 HydrophobicContact CG2-SD 4.35Å; C221-M368 HydrophobicContact CB-CE 3.39Å; C221-M368 HydrophobicContact CB-SD 3.77Å; I235-M368 HydrophobicContact CG2-CE 4.02Å; I235-M368 HydrophobicContact CG2-SD 4.18Å; V237-M368 HydrophobicContact CG2-CE 4.06Å; L348-M368 HydrophobicContact CD2-SD 4.13Å; F364-M368 HydrophobicContact CD1-CG 4.14Å; F364-M368 HydrophobicContact CD1-SD 4.17Å; F364-M368 HydrophobicContact CE1-CG 3.95Å; F364-M368 HydrophobicContact CE1-SD 3.9Å; F364-M368 WeakPolarHBondContact O-CG 3.46Å; F364-M368 PolarHBondContact O-N 3.17Å; L365-M368 WeakPolarHBondContact O-CB 3.22Å; L365-M368 PolarHBondContact O-N 3.01Å; G366-M368 VanDerWaalsContact C-N 3.34Å; G366-M368 PolarHBondContact O-N 3.4Å; M368-L372 PolarHBondContact O-N 3.25Å
369V96.2Very high93.9Very high0 Ų021 Ų210%012%0.117CC..Hα-helixtrans-70.2-43.1177178.60000110.2V237 I256 I269 I288 L365 G366 Y367 R371 L372 L373V237-V369 HydrophobicContact CG1-CG2 4.14Å; I256-V369 HydrophobicContact CD1-CG1 4.17Å; I269-V369 HydrophobicContact CD1-CG2 4.01Å; I269-V369 HydrophobicContact CG1-CG2 3.66Å; I288-V369 HydrophobicContact CD1-CG1 4.37Å; I288-V369 HydrophobicContact CG1-CB 4.44Å; I288-V369 HydrophobicContact CG1-CG1 4.45Å; I288-V369 HydrophobicContact CG2-CB 4.04Å; I288-V369 HydrophobicContact CG2-CG1 3.63Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.28Å; G366-V369 PolarHBondContact O-N 2.99Å; G366-V369 VanDerWaalsContact O-N 3.1Å; Y367-V369 VanDerWaalsContact C-N 3.33Å; Y367-V369 PolarHBondContact O-N 3Å; V369-R371 VanDerWaalsContact C-N 3.32Å; V369-R371 PolarHBondContact O-N 3.41Å; V369-L372 WeakPolarHBondContact O-CB 3.49Å; V369-L372 PolarHBondContact O-N 3.43Å; V369-L372 VanDerWaalsContact O-N 3.16Å; V369-L373 HydrophobicContact CG1-CD1 4.11Å; V369-L373 HydrophobicContact CG1-CG 4.44Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.13Å
370H94.9Very high94.1Very high34 Ų3420 Ų2016%0.15711%0.107CC..Hα-helixtrans-54.4-49.6174.7-17078.8000111.1I288 G366 Y367 L372 L373 L374I288-H370 WeakPolarHBondContact O-CB 3.43Å; I288-H370 PolarHBondContact O-ND1 2.97Å; G366-H370 WeakPolarHBondContact O-CB 3.38Å; G366-H370 PolarHBondContact O-N 3.3Å; Y367-H370 WeakPolarHBondContact O-CB 3.36Å; Y367-H370 PolarHBondContact O-N 3.16Å; H370-L372 VanDerWaalsContact C-N 3.29Å; H370-L372 PolarHBondContact O-N 2.84Å; H370-L373 WeakPolarHBondContact O-CB 3.45Å; H370-L373 PolarHBondContact O-N 3.06Å; H370-L374 WeakPolarHBondContact O-CG 3.45Å; H370-L374 PolarHBondContact O-N 3.4Å
371R95.2Very high94.3Very high12 Ų1224.3 Ų24.35%0.04513%0.129CC..Hα-helixtrans-62.6-35.9179.6-152.9177.7178.3-94.7-14.5112.6V205 V207 Y367 V369 A375 R380 D383V205-R371 PolarHBondContact O-NH1 2.87Å; V207-R371 HydrophobicContact CG2-CB 4.5Å; V207-R371 HydrophobicContact CG2-CG 4.28Å; Y367-R371 WeakPolarHBondContact O-CB 3.2Å; Y367-R371 PolarHBondContact O-N 3.48Å; V369-R371 VanDerWaalsContact C-N 3.32Å; V369-R371 PolarHBondContact O-N 3.41Å; R371-A375 PolarHBondContact O-N 2.87Å; R371-R380 VanDerWaalsContact NE-NH1 3.12Å; R371-D383 IonicContact CZ-OD1 4Å; R371-D383 IonicContact CZ-OD2 2.67Å; R371-D383 IonicContact NH1-OD1 2.79Å; R371-D383 IonicContact NH1-OD2 3.22Å; R371-D383 PolarHBondContact NH1-OD2 3.09Å; R371-D383 VanDerWaalsContact NH2-CG 3.34Å; R371-D383 IonicContact NH2-OD1 2.6Å; R371-D383 PolarHBondContact NH2-OD1 3.09Å; R371-D383 IonicContact NH2-OD2 3.86Å; R371-D383 PolarHBondContact NH2-OD2 3.28Å
372L95.6Very high94.5Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-65.9-40.4173-178.167.7000112.1V207 V237 M239 I256 M368 V369 H370 A375 A376V207-L372 HydrophobicContact CG1-CD1 3.86Å; V237-L372 HydrophobicContact CB-CD2 4.41Å; V237-L372 HydrophobicContact CG1-CD2 3.78Å; M239-L372 HydrophobicContact CB-CD2 4.3Å; I256-L372 HydrophobicContact CG2-CD2 4.26Å; M368-L372 PolarHBondContact O-N 3.25Å; V369-L372 WeakPolarHBondContact O-CB 3.49Å; V369-L372 PolarHBondContact O-N 3.43Å; V369-L372 VanDerWaalsContact O-N 3.16Å; H370-L372 VanDerWaalsContact C-N 3.29Å; H370-L372 PolarHBondContact O-N 2.84Å; L372-A375 PolarHBondContact O-N 3.06Å; L372-A376 WeakPolarHBondContact O-CB 3.4Å; L372-A376 PolarHBondContact O-N 3.31Å
373L94.6Very high94.6Very high0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-67.1-43.4178.4-69.8169.8000111.5M239 I256 I288 M297 M300 V369 H370 A375 A376 L377M239-L373 HydrophobicContact CE-CD2 4.03Å; I256-L373 HydrophobicContact CD1-CD2 3.96Å; I288-L373 HydrophobicContact CG2-CD1 3.97Å; M297-L373 HydrophobicContact CG-CB 4.18Å; M297-L373 HydrophobicContact CG-CD1 3.72Å; M297-L373 HydrophobicContact CG-CG 4.45Å; M297-L373 HydrophobicContact SD-CB 4.29Å; M297-L373 HydrophobicContact SD-CD1 4.08Å; M300-L373 HydrophobicContact CB-CD2 4.22Å; M300-L373 HydrophobicContact CG-CD2 3.89Å; M300-L373 HydrophobicContact SD-CD2 3.58Å; M300-L373 VanDerWaalsContact SD-CD2 3.58Å; V369-L373 HydrophobicContact CG1-CD1 4.11Å; V369-L373 HydrophobicContact CG1-CG 4.44Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.13Å; H370-L373 WeakPolarHBondContact O-CB 3.45Å; H370-L373 PolarHBondContact O-N 3.06Å; L373-A375 VanDerWaalsContact C-N 3.28Å; L373-A375 PolarHBondContact O-N 3.03Å; L373-A376 PolarHBondContact O-N 2.97Å; L373-A376 VanDerWaalsContact O-N 3.09Å; L373-L377 WeakPolarHBondContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CG 3.27Å; L373-L377 PolarHBondContact O-N 3.24Å
374L94.7Very high94.6Very high19 Ų1932.2 Ų32.210%0.09917%0.172CC..Hα-helixtrans-55.6-43.4175.3-69.4177.9000112.1M297 H370 G378 R379 R380M297-L374 HydrophobicContact CE-CD2 3.91Å; H370-L374 WeakPolarHBondContact O-CG 3.45Å; H370-L374 PolarHBondContact O-N 3.4Å; L374-G378 PolarHBondContact O-N 3.42Å; L374-G378 VanDerWaalsContact O-N 3.14Å; L374-R379 HydrophobicContact CD2-CB 4.04Å; L374-R379 PolarHBondContact O-N 2.89Å; L374-R380 HydrophobicContact CB-CB 3.99Å; L374-R380 PolarHBondContact O-N 2.98Å
375A93.9Very high94.4Very high7 Ų737.7 Ų37.76%0.05819%0.193CC..Hα-helixtrans-69.2-38.8176.100000112.6V207 R371 L372 L373 G378 L382V207-A375 HydrophobicContact CB-CB 4.27Å; V207-A375 HydrophobicContact CG1-CB 3.57Å; R371-A375 PolarHBondContact O-N 2.87Å; L372-A375 PolarHBondContact O-N 3.06Å; L373-A375 VanDerWaalsContact C-N 3.28Å; L373-A375 PolarHBondContact O-N 3.03Å; A375-G378 PolarHBondContact O-N 3.22Å; A375-L382 HydrophobicContact CB-CD2 4.05Å
376A92.3Very high94.2Very high18 Ų1839 Ų3915%0.14920%0.2CC..Hα-helixtrans-69.4-33.3-179.300000113Y217 M239 M300 L372 L373 G378Y217-A376 HydrophobicContact CD2-CB 3.83Å; Y217-A376 HydrophobicContact CE2-CB 3.89Å; M239-A376 HydrophobicContact CE-CB 3.51Å; M239-A376 HydrophobicContact SD-CB 3.74Å; M300-A376 HydrophobicContact CE-CB 3.65Å; M300-A376 HydrophobicContact SD-CB 4.07Å; L372-A376 WeakPolarHBondContact O-CB 3.4Å; L372-A376 PolarHBondContact O-N 3.31Å; L373-A376 PolarHBondContact O-N 2.97Å; L373-A376 VanDerWaalsContact O-N 3.09Å; A376-G378 VanDerWaalsContact C-N 3.31Å
377L93.4Very high94.3Very high41 Ų4140 Ų4022%0.21520%0.204CC..THydrogen-bonded Turntrans-81.9-8.4172.5-64.8178000113E296 M297 M300 L373 R379E296-L377 HydrophobicContact CG-CD1 4.27Å; E296-L377 HydrophobicContact CG-CD2 3.85Å; M297-L377 HydrophobicContact CB-CD1 4.25Å; M297-L377 HydrophobicContact CE-CD1 4.4Å; M300-L377 HydrophobicContact CE-CD2 4.13Å; M300-L377 HydrophobicContact SD-CD2 3.7Å; M300-L377 HydrophobicContact SD-CG 3.91Å; L373-L377 WeakPolarHBondContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CG 3.27Å; L373-L377 PolarHBondContact O-N 3.24Å; L377-R379 VanDerWaalsContact C-N 3.3Å; L377-R379 HydrophobicContact CB-CG 4.13Å; L377-R379 PolarHBondContact O-N 2.89Å
378G93Very high94.3Very high61 Ų6139.4 Ų39.463%0.62920%0.202SC*.THydrogen-bonded Turntrans73.617.8-178.700000114.5L374 A375 A376L374-G378 PolarHBondContact O-N 3.42Å; L374-G378 VanDerWaalsContact O-N 3.14Å; A375-G378 PolarHBondContact O-N 3.22Å; A376-G378 VanDerWaalsContact C-N 3.31Å
379R93.4Very high94.2Very high87 Ų8739.7 Ų39.733%0.32821%0.205SC..SBendtrans-74.2-30.8175.3-62.6-175.5-176.1178.65.2112.2D294 E296 L374 L377 R608D294-R379 IonicContact OD1-CZ 3.35Å; D294-R379 IonicContact OD1-NH1 2.75Å; D294-R379 IonicContact OD1-NH2 2.78Å; D294-R379 PolarHBondContact OD1-NH2 3.4Å; D294-R379 IonicContact OD2-CZ 2.76Å; D294-R379 IonicContact OD2-NH1 2.9Å; D294-R379 PolarHBondContact OD2-NH1 3Å; D294-R379 IonicContact OD2-NH2 3.41Å; D294-R379 PolarHBondContact OD2-NH2 3.43Å; E296-R379 IonicContact OE2-CZ 2.89Å; E296-R379 IonicContact OE2-NE 3.43Å; E296-R379 IonicContact OE2-NH2 3.32Å; E296-R379 PolarHBondContact OE2-NH2 2.89Å; L374-R379 HydrophobicContact CD2-CB 4.04Å; L374-R379 PolarHBondContact O-N 2.89Å; L377-R379 VanDerWaalsContact C-N 3.3Å; L377-R379 HydrophobicContact CB-CG 4.13Å; L377-R379 PolarHBondContact O-N 2.89Å; R379-R608 PolarHBondContact O-NH2 3.08Å
380R93.1Very high94.2Very high32 Ų3240.6 Ų40.612%0.12121%0.21CC..SBendtrans-124.7145.2174.6-170174.9176.2165.26.9110.2R371 L374 E609R371-R380 VanDerWaalsContact NE-NH1 3.12Å; L374-R380 HydrophobicContact CB-CB 3.99Å; L374-R380 PolarHBondContact O-N 2.98Å; R380-E609 IonicContact NH1-OE2 3.74Å
381E95Very high94.2Very high159 Ų15939.8 Ų39.874%0.74321%0.206SC*.PPolyproline II helixtrans-71.9160.8175.8-63-175.3-171.900111.9
382L96.1Very high94.2Very high80 Ų8039.7 Ų39.742%0.41921%0.205SC..PPolyproline II helixtrans-74.5148.2175.1-61.3173000110.3V207 A209 Y217 A375V207-L382 HydrophobicContact CG1-CD2 4.21Å; A209-L382 HydrophobicContact CB-CD1 3.57Å; Y217-L382 HydrophobicContact CD1-CD2 4.04Å; Y217-L382 HydrophobicContact CE1-CD2 4.09Å; A375-L382 HydrophobicContact CB-CD2 4.05Å
383D95.1Very high94.2Very high32 Ų3239.9 Ų39.917%0.17121%0.206CC..PPolyproline II helixtrans-72.7142.4177.6-61.4-60.7000111.8Y206 V207 F208 R371Y206-D383 VanDerWaalsContact CA-OD2 3.22Å; Y206-D383 WeakPolarHBondContact CA-OD2 3.48Å; Y206-D383 HydrophobicContact CD1-CB 4.32Å; V207-D383 PolarHBondContact N-OD2 3.23Å; V207-D383 PolarHBondContact O-N 3.18Å; V207-D383 VanDerWaalsContact O-N 3.14Å; F208-D383 WeakPolarHBondContact CD1-O 3.4Å; F208-D383 HydrophobicContact CE1-CB 3.96Å; F208-D383 VanDerWaalsContact CE1-O 3.32Å; F208-D383 WeakPolarHBondContact CE1-O 3.46Å; R371-D383 IonicContact CZ-OD1 4Å; R371-D383 IonicContact CZ-OD2 2.67Å; R371-D383 IonicContact NH1-OD1 2.79Å; R371-D383 IonicContact NH1-OD2 3.22Å; R371-D383 PolarHBondContact NH1-OD2 3.09Å; R371-D383 VanDerWaalsContact NH2-CG 3.34Å; R371-D383 IonicContact NH2-OD1 2.6Å; R371-D383 PolarHBondContact NH2-OD1 3.09Å; R371-D383 IonicContact NH2-OD2 3.86Å; R371-D383 PolarHBondContact NH2-OD2 3.28Å
384D94.3Very high94.2Very high75 Ų7540.9 Ų40.940%0.40121%0.212SC..PPolyproline II helixtrans-83.7126.8170.3-167.6-8.9000111.1D386 H387 N390 H502D384-D386 VanDerWaalsContact C-N 3.31Å; D384-D386 PolarHBondContact OD1-N 3.45Å; D384-H387 HydrophobicContact CB-CB 4.14Å; D384-N390 PolarHBondContact O-ND2 3.4Å; D384-H502 IonicContact OD2-CD2 2.94Å; D384-H502 IonicContact OD2-NE2 3.8Å; D384-H502 PolarHBondContact OD2-NE2 3.32Å
385R90.3Very high94.2Very high118 Ų11840.1 Ų40.145%0.44521%0.208SC..SBendtrans-71.1-27.7176.7-69.2-177.7175.7-161.5-0.8112.7F208 K391F208-R385 HydrophobicContact CD1-CG 3.77Å; F208-R385 HydrophobicContact CE1-CB 4.4Å; F208-R385 HydrophobicContact CE1-CG 3.24Å; F208-R385 HydrophobicContact CE2-CG 4.25Å; F208-R385 HydrophobicContact CG-CG 4.46Å; F208-R385 HydrophobicContact CZ-CG 3.51Å; R385-K391 WeakPolarHBondContact O-CE 3.49Å
386D92.4Very high94.2Very high29 Ų2939.8 Ų39.816%0.15521%0.205CC..SBendtrans-91.8-13.5-174.4-70.8-41.9000112.6D384 Y388 K391 K497D384-D386 VanDerWaalsContact C-N 3.31Å; D384-D386 PolarHBondContact OD1-N 3.45Å; D386-Y388 PolarHBondContact O-N 3.4Å; D386-K391 PolarHBondContact O-NZ 2.98Å; D386-K391 IonicContact OD1-NZ 3.89Å; D386-K497 WeakPolarHBondContact OD2-CB 2.83Å
387H96.1Very high94.2Very high19 Ų1939 Ų399%0.08820%0.198CC..  trans-52.2123173.5-164.7-86.3000112.1D384 G389 N390 H502 T504 E671D384-H387 HydrophobicContact CB-CB 4.14Å; H387-G389 PolarHBondContact ND1-N 2.91Å; H387-G389 VanDerWaalsContact ND1-N 3.13Å; H387-G389 PolarHBondContact O-N 2.9Å; H387-N390 PolarHBondContact O-N 3.24Å; H387-H502 AromaticContact CD2-CE1 3.89Å; H387-T504 WeakPolarHBondContact NE2-CG2 3.47Å; H387-E671 IonicContact CD2-OE1 3.43Å; H387-E671 IonicContact CE1-OE1 3.74Å; H387-E671 PolarHBondContact CE1-OE1 3.33Å; H387-E671 IonicContact ND1-OE1 2.76Å; H387-E671 IonicContact NE2-OE1 3.86Å; H387-E671 PolarHBondContact NE2-OE1 2.93Å
388Y94.9Very high94.1Very high5 Ų539.2 Ų39.22%0.0220%0.202CC..G310 helixtrans-74.1-24.3-172.8-128.6-110.9000114.1E198 D386 N390 K391 L393 T504 L505 V509 I621E198-Y388 HydrophobicContact CG-CE2 4.35Å; E198-Y388 WeakPolarHBondContact OE2-CE2 3.33Å; E198-Y388 PolarHBondContact OE2-OH 3.1Å; D386-Y388 PolarHBondContact O-N 3.4Å; Y388-N390 PolarHBondContact O-N 3.32Å; Y388-K391 HydrophobicContact CD2-CD 3.65Å; Y388-K391 HydrophobicContact CE2-CD 3.82Å; Y388-K391 HydrophobicContact CG-CD 4.4Å; Y388-K391 WeakPolarHBondContact O-CB 3.4Å; Y388-K391 PolarHBondContact O-N 3.2Å; Y388-L393 HydrophobicContact CE1-CD2 4.45Å; Y388-T504 PolarHBondContact N-OG1 3.44Å; Y388-T504 VanDerWaalsContact N-OG1 3.17Å; Y388-L505 HydrophobicContact CD1-CD2 4.14Å; Y388-L505 HydrophobicContact CD2-CD2 3.52Å; Y388-L505 HydrophobicContact CE1-CD2 4.38Å; Y388-L505 HydrophobicContact CE2-CD2 3.84Å; Y388-L505 HydrophobicContact CG-CD2 3.7Å; Y388-V509 HydrophobicContact CE1-CG2 4.37Å; Y388-I621 HydrophobicContact CD1-CG2 3.91Å; Y388-I621 HydrophobicContact CE1-CG2 4.38Å
389G94.4Very high94.1Very high6 Ų636.6 Ų36.66%0.06217%0.174CC..G310 helixtrans-61.4-25.4170.500000113.5H387 K391 R392H387-G389 PolarHBondContact ND1-N 2.91Å; H387-G389 VanDerWaalsContact ND1-N 3.13Å; H387-G389 PolarHBondContact O-N 2.9Å; G389-K391 VanDerWaalsContact C-N 3.25Å; G389-K391 PolarHBondContact O-N 3.2Å; G389-R392 PolarHBondContact O-NH1 3.24Å
390N95.4Very high94.1Very high18 Ų1832.8 Ų32.810%0.09616%0.16CC..G310 helixtrans-87.48.2176.2-63.6-25000112.6M200 A201 Y206 D384 H387 Y388M200-N390 HydrophobicContact SD-CB 4.25Å; A201-N390 WeakPolarHBondContact CB-O 3.26Å; A201-N390 PolarHBondContact N-O 3.18Å; Y206-N390 HydrophobicContact CE1-CB 3.7Å; Y206-N390 PolarHBondContact OH-O 3.09Å; D384-N390 PolarHBondContact O-ND2 3.4Å; H387-N390 PolarHBondContact O-N 3.24Å; Y388-N390 PolarHBondContact O-N 3.32Å
391K95.3Very high94Very high18 Ų1831.5 Ų31.58%0.07816%0.156CC..EExtended strand (participates in β ladder)trans-120.8158.4-177.2-66.8169.8170.5-172.80110.6E198 K199 R385 D386 Y388 G389E198-K391 HydrophobicContact CG-CB 4.33Å; E198-K391 HydrophobicContact CG-CD 4.07Å; E198-K391 HydrophobicContact CG-CG 4.48Å; E198-K391 WeakPolarHBondContact OE1-CD 3.43Å; E198-K391 WeakPolarHBondContact OE1-CE 3.44Å; E198-K391 IonicContact OE1-NZ 2.7Å; E198-K391 PolarHBondContact OE1-NZ 3.38Å; K199-K391 CarbonylContact O-C 3.59Å; K199-K391 VanDerWaalsContact O-CA 3.25Å; K199-K391 WeakPolarHBondContact O-CA 3.45Å; R385-K391 WeakPolarHBondContact O-CE 3.49Å; D386-K391 PolarHBondContact O-NZ 2.98Å; D386-K391 IonicContact OD1-NZ 3.89Å; Y388-K391 HydrophobicContact CD2-CD 3.65Å; Y388-K391 HydrophobicContact CE2-CD 3.82Å; Y388-K391 HydrophobicContact CG-CD 4.4Å; Y388-K391 WeakPolarHBondContact O-CB 3.4Å; Y388-K391 PolarHBondContact O-N 3.2Å; G389-K391 VanDerWaalsContact C-N 3.25Å; G389-K391 PolarHBondContact O-N 3.2Å
392R94.7Very high93.7Very high10 Ų1030 Ų304%0.03815%0.147CC..EExtended strand (participates in β ladder)trans-134151.5175.3-63.1-64.4-179.6-93.24.3110.1K199 A201 G389 D617 G619 R620K199-R392 HydrophobicContact CG-CB 4.2Å; K199-R392 PolarHBondContact N-O 2.97Å; K199-R392 PolarHBondContact O-N 2.86Å; A201-R392 HydrophobicContact CB-CG 3.79Å; G389-R392 PolarHBondContact O-NH1 3.24Å; R392-D617 IonicContact CZ-OD1 3.92Å; R392-D617 IonicContact CZ-OD2 2.77Å; R392-D617 IonicContact NE-OD1 3.9Å; R392-D617 PolarHBondContact NE-OD1 3.06Å; R392-D617 IonicContact NE-OD2 3.02Å; R392-D617 PolarHBondContact NE-OD2 3.05Å; R392-D617 IonicContact NH2-OD1 3.67Å; R392-D617 PolarHBondContact NH2-OD1 3.09Å; R392-D617 IonicContact NH2-OD2 3.61Å; R392-D617 PolarHBondContact NH2-OD2 3.24Å; R392-G619 CarbonylContact C-O 3.56Å; R392-G619 WeakPolarHBondContact CA-O 3.3Å; R392-R620 VanDerWaalsContact CZ-CG 3.45Å; R392-R620 VanDerWaalsContact NE-CG 3.3Å
393L95.7Very high93.5Very high3 Ų326.5 Ų26.52%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-107.4110.6178.6-59.2-177.7000109.9E198 Y388 L395 V485 L526 I532 G619 I621E198-L393 HydrophobicContact CB-CD2 4.11Å; E198-L393 HydrophobicContact CG-CD2 4.42Å; Y388-L393 HydrophobicContact CE1-CD2 4.45Å; L393-L395 PolarHBondContact O-N 3.07Å; L393-V485 HydrophobicContact CD1-CG2 4.22Å; L393-V485 HydrophobicContact CD2-CG1 3.55Å; L393-L526 HydrophobicContact CD1-CD2 4.39Å; L393-I532 HydrophobicContact CB-CD1 4.46Å; L393-I532 HydrophobicContact CD1-CD1 3.6Å; L393-I532 HydrophobicContact CD1-CG1 4.2Å; L393-G619 PolarHBondContact N-O 3.05Å; L393-G619 VanDerWaalsContact O-CA 3.29Å; L393-G619 WeakPolarHBondContact O-CA 3.44Å; L393-I621 HydrophobicContact CD1-CD1 4.32Å
394D93.9Very high93.3Very high21 Ų2125 Ų2511%0.11212%0.121CC..EExtended strand (participates in β ladder)trans-76.3108169.5-72.8-27000108.9A196 Q197 K199 L399A196-D394 WeakPolarHBondContact CA-O 3.12Å; Q197-D394 HydrophobicContact CB-CB 4.34Å; Q197-D394 PolarHBondContact N-O 3.25Å; Q197-D394 PolarHBondContact O-N 3.25Å; K199-D394 WeakPolarHBondContact CD-OD2 3.28Å; K199-D394 WeakPolarHBondContact CE-OD1 3.48Å; K199-D394 IonicContact NZ-OD1 3.19Å; K199-D394 PolarHBondContact NZ-OD1 3.37Å; K199-D394 IonicContact NZ-OD2 3.4Å; K199-D394 PolarHBondContact NZ-OD2 2.7Å; D394-L399 HydrophobicContact CB-CD2 4Å; D394-L399 HydrophobicContact CB-CG 4.07Å
395L95.1Very high93.1Very high4 Ų423.5 Ų23.52%0.02111%0.11CC..  trans-88.9-172.2175.9-67.2177000112.1Q42 S46 A196 L393 G397 L399 I532Q42-L395 HydrophobicContact CB-CD1 4.08Å; Q42-L395 HydrophobicContact CG-CD2 4.48Å; Q42-L395 WeakPolarHBondContact O-CD1 3.4Å; S46-L395 VanDerWaalsContact OG-CB 3.29Å; S46-L395 WeakPolarHBondContact OG-CB 3.46Å; A196-L395 HydrophobicContact CB-CD2 3.66Å; L393-L395 PolarHBondContact O-N 3.07Å; L395-G397 VanDerWaalsContact C-N 3.29Å; L395-G397 PolarHBondContact O-N 3.29Å; L395-L399 VanDerWaalsContact O-CB 3.27Å; L395-L399 WeakPolarHBondContact O-CB 3.49Å; L395-L399 WeakPolarHBondContact O-CD1 3.35Å; L395-L399 WeakPolarHBondContact O-CG 3.5Å; L395-L399 PolarHBondContact O-N 2.84Å; L395-L399 VanDerWaalsContact O-N 3.14Å; L395-I532 HydrophobicContact CD1-CB 3.91Å; L395-I532 HydrophobicContact CD1-CD1 4.06Å; L395-I532 HydrophobicContact CD1-CG2 3.56Å; L395-I532 HydrophobicContact CD2-CD1 3.9Å; L395-I532 HydrophobicContact CG-CD1 4.35Å; L395-I532 HydrophobicContact CG-CG2 4.3Å
396A93.8Very high93Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-52.8-43.3-178.500000113.1M155 L194 L400M155-A396 HydrophobicContact CE-CB 3.75Å; L194-A396 HydrophobicContact CD1-CB 3.99Å; A396-L400 VanDerWaalsContact O-CB 3.29Å; A396-L400 WeakPolarHBondContact O-CB 3.35Å; A396-L400 WeakPolarHBondContact O-CG 3.07Å; A396-L400 PolarHBondContact O-N 3.19Å
397G92.9Very high93Very high0 Ų019.8 Ų19.80%011%0.109CC..Hα-helixtrans-62.5-63.9-178.300000113.4S46 L395 L399 L400 A401S46-G397 WeakPolarHBondContact O-CA 3.36Å; S46-G397 WeakPolarHBondContact OG-CA 3.36Å; S46-G397 PolarHBondContact OG-N 3.39Å; L395-G397 VanDerWaalsContact C-N 3.29Å; L395-G397 PolarHBondContact O-N 3.29Å; G397-L399 PolarHBondContact O-N 3.17Å; G397-L400 PolarHBondContact O-N 2.92Å; G397-L400 VanDerWaalsContact O-N 3.1Å; G397-A401 WeakPolarHBondContact O-CB 3.35Å; G397-A401 PolarHBondContact O-N 3.29Å
398P91.5Very high92.8Very high47 Ų4719 Ų1931%0.30511%0.105SC..Hα-helixtrans-56.4-36.2177.9-28.135.5000113.8S46 F402S46-P398 WeakPolarHBondContact OG-CD 3.39Å; P398-F402 PolarHBondContact O-N 3.01Å; P398-F402 VanDerWaalsContact O-N 3.08Å
399L92.3Very high92.6Very high6 Ų623.2 Ų23.23%0.03112%0.124CC..Hα-helixtrans-66.4-41.9176.9-71.7173.8000112.5Q197 D394 L395 G397 L403 W453 V466Q197-L399 HydrophobicContact CG-CD1 4.37Å; Q197-L399 HydrophobicContact CG-CD2 4.3Å; D394-L399 HydrophobicContact CB-CD2 4Å; D394-L399 HydrophobicContact CB-CG 4.07Å; L395-L399 VanDerWaalsContact O-CB 3.27Å; L395-L399 WeakPolarHBondContact O-CB 3.49Å; L395-L399 WeakPolarHBondContact O-CD1 3.35Å; L395-L399 WeakPolarHBondContact O-CG 3.5Å; L395-L399 PolarHBondContact O-N 2.84Å; L395-L399 VanDerWaalsContact O-N 3.14Å; G397-L399 PolarHBondContact O-N 3.17Å; L399-L403 PolarHBondContact O-N 2.95Å; L399-W453 HydrophobicContact CB-CZ2 3.8Å; L399-W453 PolarHBondContact O-NE1 2.92Å; L399-V466 HydrophobicContact CD1-CG1 3.72Å; L399-V466 HydrophobicContact CD2-CG1 4.39Å
400L93.3Very high92.5Very high6 Ų626.5 Ų26.53%0.03114%0.14CC..Hα-helixtrans-73.4-38.5176.5-73.1173000111.8F47 F50 F185 L194 A396 G397 F402 L403 F404 L444 L448 W453F47-L400 HydrophobicContact CD2-CD1 3.77Å; F47-L400 HydrophobicContact CE2-CD1 3.82Å; F50-L400 HydrophobicContact CD1-CB 4.19Å; F50-L400 HydrophobicContact CD1-CD1 4.19Å; F50-L400 HydrophobicContact CD2-CB 4.3Å; F50-L400 HydrophobicContact CE1-CB 3.88Å; F50-L400 HydrophobicContact CE1-CD1 4.11Å; F50-L400 HydrophobicContact CE2-CB 4.02Å; F50-L400 HydrophobicContact CG-CB 4.4Å; F50-L400 HydrophobicContact CZ-CB 3.8Å; F185-L400 HydrophobicContact CZ-CD1 3.95Å; L194-L400 HydrophobicContact CD1-CG 4.29Å; A396-L400 VanDerWaalsContact O-CB 3.29Å; A396-L400 WeakPolarHBondContact O-CB 3.35Å; A396-L400 WeakPolarHBondContact O-CG 3.07Å; A396-L400 PolarHBondContact O-N 3.19Å; G397-L400 PolarHBondContact O-N 2.92Å; G397-L400 VanDerWaalsContact O-N 3.1Å; L400-F402 VanDerWaalsContact C-N 3.27Å; L400-F402 PolarHBondContact O-N 3.12Å; L400-L403 PolarHBondContact O-N 2.9Å; L400-L403 VanDerWaalsContact O-N 3.11Å; L400-F404 WeakPolarHBondContact O-CB 3.18Å; L400-F404 PolarHBondContact O-N 2.76Å; L400-L444 HydrophobicContact CD2-CD2 4.47Å; L400-L448 HydrophobicContact CD2-CD2 4.3Å; L400-W453 HydrophobicContact CD2-CZ2 4.36Å
401A91.7Very high92.4Very high6 Ų625.7 Ų25.75%0.0514%0.135CC..Hα-helixtrans-55.9-43.3173.700000111.6F50 I58 G397 R405F50-A401 HydrophobicContact CD2-CB 4Å; F50-A401 HydrophobicContact CE2-CB 4.12Å; I58-A401 HydrophobicContact CD1-CB 4.05Å; G397-A401 WeakPolarHBondContact O-CB 3.35Å; G397-A401 PolarHBondContact O-N 3.29Å; A401-R405 WeakPolarHBondContact O-CB 3.36Å; A401-R405 PolarHBondContact O-N 3.37Å
402F89.4Confident92.2Very high126 Ų12625.6 Ų25.655%0.55314%0.136SC*.Hα-helixtrans-59.7-46.2174.6175.3-100.1000112.8P398 L400 G406P398-F402 PolarHBondContact O-N 3.01Å; P398-F402 VanDerWaalsContact O-N 3.08Å; L400-F402 VanDerWaalsContact C-N 3.27Å; L400-F402 PolarHBondContact O-N 3.12Å; F402-G406 PolarHBondContact O-N 3.28Å
403L90.2Very high92.1Very high7 Ų731.2 Ų31.24%0.03716%0.16CC..Hα-helixtrans-68.8-48.9179.5-70.6-178.9000112.3L399 L400 R405 G406 M407 L444 W453L399-L403 PolarHBondContact O-N 2.95Å; L400-L403 PolarHBondContact O-N 2.9Å; L400-L403 VanDerWaalsContact O-N 3.11Å; L403-R405 VanDerWaalsContact C-N 3.32Å; L403-R405 PolarHBondContact O-N 2.83Å; L403-G406 PolarHBondContact O-N 2.84Å; L403-G406 VanDerWaalsContact O-N 3.16Å; L403-M407 HydrophobicContact CB-CE 4.25Å; L403-M407 WeakPolarHBondContact O-CG 2.94Å; L403-M407 PolarHBondContact O-N 2.85Å; L403-L444 HydrophobicContact CB-CD2 4.16Å; L403-W453 HydrophobicContact CD1-CD2 3.76Å; L403-W453 HydrophobicContact CD1-CE3 4.25Å; L403-W453 HydrophobicContact CD1-CG 4.25Å; L403-W453 HydrophobicContact CD1-CH2 4.01Å; L403-W453 HydrophobicContact CD1-CZ2 3.49Å; L403-W453 VanDerWaalsContact CD1-CZ2 3.49Å; L403-W453 HydrophobicContact CD1-CZ3 4.36Å; L403-W453 HydrophobicContact CD2-CG 4.18Å; L403-W453 HydrophobicContact CG-CD2 4.33Å; L403-W453 HydrophobicContact CG-CG 4.35Å; L403-W453 HydrophobicContact CG-CZ2 4.32Å
404F92.8Very high92Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-58.5-46-178.1-178.8-99.5000110.7F50 V55 I58 V59 L124 I152 L400 G406 M407 F408 I440F50-F404 HydrophobicContact CE2-CB 4.43Å; F50-F404 HydrophobicContact CZ-CB 4.3Å; V55-F404 HydrophobicContact CG1-CD1 4.4Å; V55-F404 HydrophobicContact CG1-CE1 3.74Å; V55-F404 HydrophobicContact CG1-CZ 3.82Å; I58-F404 HydrophobicContact CB-CD1 4.43Å; I58-F404 HydrophobicContact CD1-CD1 4.2Å; I58-F404 HydrophobicContact CG2-CD1 3.95Å; I58-F404 HydrophobicContact CG2-CE1 4.09Å; V59-F404 HydrophobicContact CG2-CE1 4.37Å; L124-F404 HydrophobicContact CD2-CE2 4.03Å; L124-F404 HydrophobicContact CD2-CZ 4.07Å; I152-F404 HydrophobicContact CD1-CE2 4.28Å; L400-F404 WeakPolarHBondContact O-CB 3.18Å; L400-F404 PolarHBondContact O-N 2.76Å; F404-G406 VanDerWaalsContact C-N 3.35Å; F404-G406 PolarHBondContact O-N 3.08Å; F404-M407 PolarHBondContact O-N 2.91Å; F404-F408 HydrophobicContact CE1-CB 4.32Å; F404-F408 HydrophobicContact CE1-CG 4.48Å; F404-F408 HydrophobicContact CZ-CD2 4.4Å; F404-F408 VanDerWaalsContact O-CB 3.29Å; F404-F408 WeakPolarHBondContact O-CB 3.31Å; F404-F408 PolarHBondContact O-N 2.81Å; F404-I440 HydrophobicContact CD2-CG2 4.3Å; F404-I440 HydrophobicContact CE2-CD1 4.23Å; F404-I440 HydrophobicContact CE2-CG2 4.08Å
405R89.3Confident91.9Very high45 Ų4532.5 Ų32.517%0.1717%0.166CC..Hα-helixtrans-57-45.3175.9-176.1-173.8-72.7121.5-1.6112.7I58 N227 A401 L403 K409I58-R405 HydrophobicContact CD1-CB 4.26Å; I58-R405 HydrophobicContact CG2-CB 4.05Å; I58-R405 HydrophobicContact CG2-CG 4.2Å; N227-R405 PolarHBondContact O-NH2 3.32Å; A401-R405 WeakPolarHBondContact O-CB 3.36Å; A401-R405 PolarHBondContact O-N 3.37Å; L403-R405 VanDerWaalsContact C-N 3.32Å; L403-R405 PolarHBondContact O-N 2.83Å; R405-K409 WeakPolarHBondContact O-CB 3.44Å; R405-K409 WeakPolarHBondContact O-CG 3.24Å; R405-K409 PolarHBondContact O-N 3.36Å
406G88.5Confident91.8Very high45 Ų4538.9 Ų38.946%0.46419%0.19SC..Hα-helixtrans-62.9-42.4177.800000112.5F402 L403 F404 N410F402-G406 PolarHBondContact O-N 3.28Å; L403-G406 PolarHBondContact O-N 2.84Å; L403-G406 VanDerWaalsContact O-N 3.16Å; F404-G406 VanDerWaalsContact C-N 3.35Å; F404-G406 PolarHBondContact O-N 3.08Å; G406-N410 PolarHBondContact O-N 2.92Å
407M91.4Very high91.7Very high24 Ų2442 Ų4212%0.11821%0.206CC..Hα-helixtrans-70.4-40.1178.6-66.2174.3-16800112.1L403 F404 N410 L411 I440 G443 L444L403-M407 HydrophobicContact CB-CE 4.25Å; L403-M407 WeakPolarHBondContact O-CG 2.94Å; L403-M407 PolarHBondContact O-N 2.85Å; F404-M407 PolarHBondContact O-N 2.91Å; M407-N410 WeakPolarHBondContact O-CB 3.46Å; M407-N410 PolarHBondContact O-N 2.95Å; M407-L411 PolarHBondContact O-N 2.82Å; M407-I440 HydrophobicContact CB-CG1 4.45Å; M407-G443 WeakPolarHBondContact CE-O 3.41Å; M407-L444 HydrophobicContact CE-CD2 4.26Å; M407-L444 HydrophobicContact SD-CD2 3.94Å; M407-L444 HydrophobicContact SD-CG 3.87Å
408F92.5Very high91.7Very high2 Ų244.4 Ų44.41%0.00922%0.215CC..Hα-helixtrans-66-43.6177.8-170.1-111.8000111.4V59 A62 F88 F404 N410 L411 L412 I440V59-F408 HydrophobicContact CB-CE1 4.41Å; V59-F408 HydrophobicContact CB-CZ 4.39Å; V59-F408 HydrophobicContact CG1-CE1 4.45Å; V59-F408 HydrophobicContact CG1-CZ 4.1Å; V59-F408 HydrophobicContact CG2-CE1 4.15Å; V59-F408 HydrophobicContact CG2-CE2 4.3Å; V59-F408 HydrophobicContact CG2-CZ 3.97Å; A62-F408 HydrophobicContact CB-CD1 4.32Å; A62-F408 HydrophobicContact CB-CE1 3.81Å; F88-F408 HydrophobicContact CD1-CZ 4.4Å; F88-F408 HydrophobicContact CG-CZ 4.35Å; F404-F408 HydrophobicContact CE1-CB 4.32Å; F404-F408 HydrophobicContact CE1-CG 4.48Å; F404-F408 HydrophobicContact CZ-CD2 4.4Å; F404-F408 VanDerWaalsContact O-CB 3.29Å; F404-F408 WeakPolarHBondContact O-CB 3.31Å; F404-F408 PolarHBondContact O-N 2.81Å; F408-N410 VanDerWaalsContact C-N 3.26Å; F408-N410 PolarHBondContact O-N 3.43Å; F408-L411 HydrophobicContact CD2-CD2 4.26Å; F408-L411 HydrophobicContact CE2-CD2 4.4Å; F408-L411 WeakPolarHBondContact O-CA 3.22Å; F408-L411 WeakPolarHBondContact O-CB 3.41Å; F408-L411 PolarHBondContact O-N 3.07Å; F408-L411 VanDerWaalsContact O-N 3.08Å; F408-L412 HydrophobicContact CD1-CD1 3.96Å; F408-L412 HydrophobicContact CD1-CG 4.36Å; F408-L412 HydrophobicContact CE1-CD1 3.79Å; F408-L412 HydrophobicContact CE1-CD2 4.25Å; F408-L412 HydrophobicContact CE1-CG 4.15Å; F408-L412 HydrophobicContact CZ-CD1 4.49Å; F408-L412 HydrophobicContact CZ-CD2 4.16Å; F408-L412 HydrophobicContact CZ-CG 4.41Å; F408-L412 WeakPolarHBondContact O-CG 3.36Å; F408-L412 PolarHBondContact O-N 3.13Å; F408-I440 HydrophobicContact CD2-CD1 4.3Å
409K90.6Very high91.6Very high93 Ų9342.2 Ų42.240%0.40420%0.201SC..Hα-helixtrans-58.4-38.4171.2-77.4-172.6174.3-172.10112.7S229 R405 L412 K413S229-K409 PolarHBondContact OG-NZ 3.23Å; R405-K409 WeakPolarHBondContact O-CB 3.44Å; R405-K409 WeakPolarHBondContact O-CG 3.24Å; R405-K409 PolarHBondContact O-N 3.36Å; K409-L412 PolarHBondContact O-N 2.9Å; K409-K413 PolarHBondContact O-N 2.82Å; K409-K413 VanDerWaalsContact O-N 3.08Å
410N91.4Very high91.5Very high75 Ų7543.7 Ų43.740%0.40121%0.207SC..Hα-helixtrans-68.2-38.5175.6-167.430.2000111.9G406 M407 F408 K413 E414 I439G406-N410 PolarHBondContact O-N 2.92Å; M407-N410 WeakPolarHBondContact O-CB 3.46Å; M407-N410 PolarHBondContact O-N 2.95Å; F408-N410 VanDerWaalsContact C-N 3.26Å; F408-N410 PolarHBondContact O-N 3.43Å; N410-K413 WeakPolarHBondContact O-CB 3.38Å; N410-K413 PolarHBondContact O-N 3.35Å; N410-E414 WeakPolarHBondContact O-CG 3.47Å; N410-E414 PolarHBondContact O-N 3.47Å; N410-I439 HydrophobicContact CB-CG2 4.41Å
411L93.2Very high91.3Very high1 Ų149.3 Ų49.31%0.00523%0.232CC..Hα-helixtrans-60.3-48.2173177.965.8000111.2M407 F408 K413 E414 I415 I435 K436 I439 I440M407-L411 PolarHBondContact O-N 2.82Å; F408-L411 HydrophobicContact CD2-CD2 4.26Å; F408-L411 HydrophobicContact CE2-CD2 4.4Å; F408-L411 WeakPolarHBondContact O-CA 3.22Å; F408-L411 WeakPolarHBondContact O-CB 3.41Å; F408-L411 PolarHBondContact O-N 3.07Å; F408-L411 VanDerWaalsContact O-N 3.08Å; L411-K413 VanDerWaalsContact C-N 3.27Å; L411-K413 PolarHBondContact O-N 3.18Å; L411-E414 PolarHBondContact O-N 3.28Å; L411-E414 VanDerWaalsContact O-N 3.1Å; L411-I415 HydrophobicContact CD1-CD1 4.32Å; L411-I415 HydrophobicContact CD1-CG1 4.46Å; L411-I415 HydrophobicContact CG-CD1 3.99Å; L411-I415 WeakPolarHBondContact O-CG1 3.31Å; L411-I415 PolarHBondContact O-N 3.2Å; L411-I435 HydrophobicContact CD1-CG2 4.37Å; L411-K436 HydrophobicContact CD1-CB 4.42Å; L411-I439 HydrophobicContact CD1-CD1 4.21Å; L411-I440 HydrophobicContact CD2-CD1 3.71Å; L411-I440 HydrophobicContact CD2-CG1 4.42Å
412L92.8Very high91.1Very high16 Ų1651.5 Ų51.58%0.08424%0.24CC..Hα-helixtrans-58-40.5176.8-66.2171.8000111.8A62 I65 F88 F408 K409 I415 R416A62-L412 HydrophobicContact CB-CD1 3.69Å; I65-L412 HydrophobicContact CD1-CB 4.14Å; I65-L412 HydrophobicContact CD1-CD2 3.79Å; I65-L412 HydrophobicContact CG1-CD2 4.31Å; F88-L412 HydrophobicContact CD2-CD2 3.9Å; F88-L412 HydrophobicContact CE2-CD2 3.25Å; F88-L412 HydrophobicContact CZ-CD2 3.63Å; F408-L412 HydrophobicContact CD1-CD1 3.96Å; F408-L412 HydrophobicContact CD1-CG 4.36Å; F408-L412 HydrophobicContact CE1-CD1 3.79Å; F408-L412 HydrophobicContact CE1-CD2 4.25Å; F408-L412 HydrophobicContact CE1-CG 4.15Å; F408-L412 HydrophobicContact CZ-CD1 4.49Å; F408-L412 HydrophobicContact CZ-CD2 4.16Å; F408-L412 HydrophobicContact CZ-CG 4.41Å; F408-L412 WeakPolarHBondContact O-CG 3.36Å; F408-L412 PolarHBondContact O-N 3.13Å; K409-L412 PolarHBondContact O-N 2.9Å; L412-I415 PolarHBondContact O-N 3.01Å; L412-R416 WeakPolarHBondContact O-CB 3.34Å; L412-R416 PolarHBondContact O-N 3.16Å
413K92.8Very high91Very high128 Ų12845.9 Ų45.956%0.55722%0.216SC*.Hα-helixtrans-62.7-42175.4-175.4-177.4176.7-176.70112.3K409 N410 L411 R416 I417K409-K413 PolarHBondContact O-N 2.82Å; K409-K413 VanDerWaalsContact O-N 3.08Å; N410-K413 WeakPolarHBondContact O-CB 3.38Å; N410-K413 PolarHBondContact O-N 3.35Å; L411-K413 VanDerWaalsContact C-N 3.27Å; L411-K413 PolarHBondContact O-N 3.18Å; K413-R416 WeakPolarHBondContact O-CB 3.31Å; K413-R416 PolarHBondContact O-N 3.15Å; K413-I417 HydrophobicContact CG-CD1 4.2Å; K413-I417 WeakPolarHBondContact O-CG1 3.21Å; K413-I417 PolarHBondContact O-N 2.89Å
414E92.9Very high90.7Very high52 Ų5249.1 Ų49.124%0.24323%0.233CC..Hα-helixtrans-69.4-38.5178.2-72.6-70.8142.200112.2N410 L411 R416 I417 Y418 K436 I439N410-E414 WeakPolarHBondContact O-CG 3.47Å; N410-E414 PolarHBondContact O-N 3.47Å; L411-E414 PolarHBondContact O-N 3.28Å; L411-E414 VanDerWaalsContact O-N 3.1Å; E414-R416 VanDerWaalsContact C-N 3.32Å; E414-R416 PolarHBondContact O-N 3.03Å; E414-I417 PolarHBondContact O-N 3.14Å; E414-Y418 WeakPolarHBondContact O-CB 3.35Å; E414-Y418 PolarHBondContact O-N 2.75Å; E414-K436 HydrophobicContact CB-CD 4.39Å; E414-K436 IonicContact OE2-NZ 2.98Å; E414-K436 PolarHBondContact OE2-NZ 2.57Å; E414-I439 HydrophobicContact CB-CD1 4.18Å; E414-I439 HydrophobicContact CG-CD1 3.81Å
415I92.6Very high90.3Very high0 Ų057.8 Ų57.80%027%0.266CS..Hα-helixtrans-59.3-46.2171.7-67.8168.2000109.6I65 L86 F88 L411 L412 I417 Y418 A419 A434 I435I65-I415 HydrophobicContact CD1-CB 4.28Å; I65-I415 HydrophobicContact CD1-CG2 4.01Å; L86-I415 HydrophobicContact CD1-CG2 3.99Å; F88-I415 HydrophobicContact CZ-CD1 4.04Å; L411-I415 HydrophobicContact CD1-CD1 4.32Å; L411-I415 HydrophobicContact CD1-CG1 4.46Å; L411-I415 HydrophobicContact CG-CD1 3.99Å; L411-I415 WeakPolarHBondContact O-CG1 3.31Å; L411-I415 PolarHBondContact O-N 3.2Å; L412-I415 PolarHBondContact O-N 3.01Å; I415-I417 PolarHBondContact O-N 3.41Å; I415-Y418 PolarHBondContact O-N 2.78Å; I415-A419 WeakPolarHBondContact O-CB 3.32Å; I415-A419 PolarHBondContact O-N 2.9Å; I415-A434 HydrophobicContact CG1-CB 4.49Å; I415-A434 HydrophobicContact CG2-CB 4.34Å; I415-I435 HydrophobicContact CD1-CG1 3.96Å; I415-I435 HydrophobicContact CG1-CG1 4.38Å
416R92.2Very high89.6Confident138 Ų13859.1 Ų59.152%0.52129%0.293SS..Hα-helixtrans-57.6-48176.7-170.5-175.8172.3168.50.7112I65 L67 L412 K413 E414 Y418 A419 Q420I65-R416 HydrophobicContact CG2-CB 4.12Å; I65-R416 HydrophobicContact CG2-CG 4.05Å; L67-R416 HydrophobicContact CD2-CG 3.46Å; L67-R416 VanDerWaalsContact CD2-CG 3.46Å; L67-R416 HydrophobicContact CG-CG 4.41Å; L412-R416 WeakPolarHBondContact O-CB 3.34Å; L412-R416 PolarHBondContact O-N 3.16Å; K413-R416 WeakPolarHBondContact O-CB 3.31Å; K413-R416 PolarHBondContact O-N 3.15Å; E414-R416 VanDerWaalsContact C-N 3.32Å; E414-R416 PolarHBondContact O-N 3.03Å; R416-Y418 VanDerWaalsContact C-N 3.34Å; R416-Y418 PolarHBondContact O-N 3.25Å; R416-A419 PolarHBondContact O-N 3.32Å; R416-Q420 WeakPolarHBondContact O-CB 3.24Å; R416-Q420 PolarHBondContact O-N 3.42Å
417I92.1Very high89.3Confident66 Ų6663.5 Ų63.534%0.33830%0.3SS..Hα-helixtrans-63.9-40.2179-68.3165.6000111.2K413 E414 I415 K421K413-I417 HydrophobicContact CG-CD1 4.2Å; K413-I417 WeakPolarHBondContact O-CG1 3.21Å; K413-I417 PolarHBondContact O-N 2.89Å; E414-I417 PolarHBondContact O-N 3.14Å; I415-I417 PolarHBondContact O-N 3.41Å; I417-K421 WeakPolarHBondContact O-CG 3.44Å; I417-K421 PolarHBondContact O-N 2.89Å
418Y92.5Very high88.8Confident50 Ų5067 Ų6720%0.19632%0.319CS..Hα-helixtrans-64.4-53.4177.5-177.5-90000110.7E414 I415 R416 Q420 K421 F422 F429 L433 A434E414-Y418 WeakPolarHBondContact O-CB 3.35Å; E414-Y418 PolarHBondContact O-N 2.75Å; I415-Y418 PolarHBondContact O-N 2.78Å; R416-Y418 VanDerWaalsContact C-N 3.34Å; R416-Y418 PolarHBondContact O-N 3.25Å; Y418-Q420 PolarHBondContact O-N 3.44Å; Y418-K421 PolarHBondContact O-N 2.75Å; Y418-F422 HydrophobicContact CD1-CD2 4.16Å; Y418-F422 HydrophobicContact CD1-CE2 4.2Å; Y418-F422 HydrophobicContact CD2-CE2 4.17Å; Y418-F422 AromaticContact CE1-CD2 3.86Å; Y418-F422 HydrophobicContact CE1-CD2 3.86Å; Y418-F422 AromaticContact CE1-CE2 3.62Å; Y418-F422 HydrophobicContact CE1-CE2 3.62Å; Y418-F422 HydrophobicContact CE1-CZ 4.37Å; Y418-F422 HydrophobicContact CE2-CD2 4.44Å; Y418-F422 AromaticContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CZ 4.32Å; Y418-F422 HydrophobicContact CG-CE2 4.46Å; Y418-F422 AromaticContact CZ-CE2 3.28Å; Y418-F422 AromaticContact CZ-CZ 3.83Å; Y418-F422 WeakPolarHBondContact O-CD2 3.29Å; Y418-F422 WeakPolarHBondContact OH-CE2 3.07Å; Y418-F422 WeakPolarHBondContact OH-CZ 3.42Å; Y418-F429 HydrophobicContact CE1-CB 4.26Å; Y418-L433 WeakPolarHBondContact OH-CB 3.5Å; Y418-A434 HydrophobicContact CD1-CB 3.37Å; Y418-A434 HydrophobicContact CE1-CB 3.85Å; Y418-A434 HydrophobicContact CG-CB 3.98Å
419A90.3Very high88.4Confident0 Ų067.2 Ų67.20%032%0.32CS..Hα-helixtrans-60.7-43.6-178.900000112.1L67 I415 R416 K421 F422 I423 F429L67-A419 HydrophobicContact CD1-CB 3.32Å; I415-A419 WeakPolarHBondContact O-CB 3.32Å; I415-A419 PolarHBondContact O-N 2.9Å; R416-A419 PolarHBondContact O-N 3.32Å; A419-K421 VanDerWaalsContact C-N 3.32Å; A419-K421 PolarHBondContact O-N 3.32Å; A419-F422 PolarHBondContact O-N 3.43Å; A419-F422 VanDerWaalsContact O-N 3.08Å; A419-I423 HydrophobicContact CB-CD1 4.43Å; A419-I423 VanDerWaalsContact O-CG1 3.28Å; A419-I423 WeakPolarHBondContact O-CG1 3.25Å; A419-I423 PolarHBondContact O-N 2.85Å; A419-F429 HydrophobicContact CB-CD1 3.98Å; A419-F429 HydrophobicContact CB-CD2 4.05Å; A419-F429 HydrophobicContact CB-CE1 3.93Å; A419-F429 HydrophobicContact CB-CE2 3.99Å; A419-F429 HydrophobicContact CB-CG 4.05Å; A419-F429 HydrophobicContact CB-CZ 3.93Å
420Q89Confident88.3Confident37 Ų3766.6 Ų66.617%0.17332%0.321CS..Hα-helixtrans-55.1-45.7176.9-16970.948.800111.9L67 Q68 R416 Y418 F422 I423 D424L67-Q420 VanDerWaalsContact CD2-OE1 3.32Å; Q68-Q420 PolarHBondContact O-NE2 3.03Å; R416-Q420 WeakPolarHBondContact O-CB 3.24Å; R416-Q420 PolarHBondContact O-N 3.42Å; Y418-Q420 PolarHBondContact O-N 3.44Å; Q420-F422 PolarHBondContact O-N 3.24Å; Q420-F422 VanDerWaalsContact O-N 3.16Å; Q420-I423 PolarHBondContact O-N 3.17Å; Q420-D424 PolarHBondContact NE2-OD1 3.36Å; Q420-D424 WeakPolarHBondContact O-CB 3.38Å; Q420-D424 PolarHBondContact O-N 3.19Å
421K89.2Confident88Confident125 Ų12563.2 Ų63.254%0.54330%0.303SS..Hα-helixtrans-60.6-27.6179.6-73.9175.4-179.6-1780114.4I417 Y418 A419 R425I417-K421 WeakPolarHBondContact O-CG 3.44Å; I417-K421 PolarHBondContact O-N 2.89Å; Y418-K421 PolarHBondContact O-N 2.75Å; A419-K421 VanDerWaalsContact C-N 3.32Å; A419-K421 PolarHBondContact O-N 3.32Å; K421-R425 VanDerWaalsContact O-CD 3.31Å; K421-R425 WeakPolarHBondContact O-CD 3.49Å; K421-R425 VanDerWaalsContact O-CG 3.3Å; K421-R425 WeakPolarHBondContact O-CG 3.36Å
422F88.2Confident87.8Confident52 Ų5269.3 Ų69.323%0.22833%0.331CS..Hα-helixtrans-86.7-41177.7-82.7-95.3000111.2Y418 A419 Q420 D424 R425 G426 K427 F429Y418-F422 HydrophobicContact CD1-CD2 4.16Å; Y418-F422 HydrophobicContact CD1-CE2 4.2Å; Y418-F422 HydrophobicContact CD2-CE2 4.17Å; Y418-F422 AromaticContact CE1-CD2 3.86Å; Y418-F422 HydrophobicContact CE1-CD2 3.86Å; Y418-F422 AromaticContact CE1-CE2 3.62Å; Y418-F422 HydrophobicContact CE1-CE2 3.62Å; Y418-F422 HydrophobicContact CE1-CZ 4.37Å; Y418-F422 HydrophobicContact CE2-CD2 4.44Å; Y418-F422 AromaticContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CZ 4.32Å; Y418-F422 HydrophobicContact CG-CE2 4.46Å; Y418-F422 AromaticContact CZ-CE2 3.28Å; Y418-F422 AromaticContact CZ-CZ 3.83Å; Y418-F422 WeakPolarHBondContact O-CD2 3.29Å; Y418-F422 WeakPolarHBondContact OH-CE2 3.07Å; Y418-F422 WeakPolarHBondContact OH-CZ 3.42Å; A419-F422 PolarHBondContact O-N 3.43Å; A419-F422 VanDerWaalsContact O-N 3.08Å; Q420-F422 PolarHBondContact O-N 3.24Å; Q420-F422 VanDerWaalsContact O-N 3.16Å; F422-D424 VanDerWaalsContact C-N 3.33Å; F422-D424 PolarHBondContact O-N 3.34Å; F422-R425 CarbonylContact O-C 3.55Å; F422-R425 WeakPolarHBondContact O-CA 3.39Å; F422-R425 WeakPolarHBondContact O-CB 3.5Å; F422-R425 PolarHBondContact O-N 3.2Å; F422-G426 PolarHBondContact O-N 3.12Å; F422-K427 CarbonylContact C-O 3.39Å; F422-K427 HydrophobicContact CD1-CB 4.47Å; F422-K427 PolarHBondContact O-N 3.32Å; F422-K427 VanDerWaalsContact O-O 3.13Å; F422-F429 HydrophobicContact CB-CB 3.77Å; F422-F429 HydrophobicContact CD2-CB 4.36Å; F422-F429 HydrophobicContact CG-CB 3.99Å
423I85.9Confident87.6Confident7 Ų774.1 Ų74.14%0.03636%0.357CS..Hα-helixtrans-60.7-43.4175.8-65.6167000110.4L67 A69 Y84 A419 Q420 R425 G426 F429L67-I423 HydrophobicContact CB-CD1 3.64Å; L67-I423 HydrophobicContact CD1-CD1 3.92Å; L67-I423 HydrophobicContact CG-CD1 4.41Å; A69-I423 HydrophobicContact CB-CG2 3.65Å; Y84-I423 HydrophobicContact CD2-CD1 3.56Å; Y84-I423 HydrophobicContact CD2-CG1 3.93Å; Y84-I423 HydrophobicContact CD2-CG2 4.4Å; Y84-I423 HydrophobicContact CE2-CD1 4.04Å; Y84-I423 HydrophobicContact CE2-CG1 3.86Å; Y84-I423 HydrophobicContact CE2-CG2 4.1Å; Y84-I423 HydrophobicContact CG-CD1 3.99Å; A419-I423 HydrophobicContact CB-CD1 4.43Å; A419-I423 VanDerWaalsContact O-CG1 3.28Å; A419-I423 WeakPolarHBondContact O-CG1 3.25Å; A419-I423 PolarHBondContact O-N 2.85Å; Q420-I423 PolarHBondContact O-N 3.17Å; I423-R425 PolarHBondContact O-N 2.88Å; I423-R425 VanDerWaalsContact O-N 3.16Å; I423-G426 PolarHBondContact O-N 3.4Å; I423-F429 HydrophobicContact CD1-CD1 4.41Å; I423-F429 HydrophobicContact CD1-CE1 4.16Å; I423-F429 HydrophobicContact CG1-CD1 4.25Å; I423-F429 HydrophobicContact CG1-CE1 4.43Å
424D84.1Confident87.5Confident76 Ų7668 Ų6841%0.40633%0.33SS..THydrogen-bonded Turntrans-63.3-21176.2-63.9-21.3000112.8E70 Q420 F422E70-D424 PolarHBondContact N-OD1 2.78Å; Q420-D424 PolarHBondContact NE2-OD1 3.36Å; Q420-D424 WeakPolarHBondContact O-CB 3.38Å; Q420-D424 PolarHBondContact O-N 3.19Å; F422-D424 VanDerWaalsContact C-N 3.33Å; F422-D424 PolarHBondContact O-N 3.34Å
425R83.9Confident87.6Confident181 Ų18166.1 Ų66.168%0.68332%0.322SS*.THydrogen-bonded Turntrans-91.62.3174.4-66.6172.9-179.8-176-2.8112.9K421 F422 I423 K427K421-R425 VanDerWaalsContact O-CD 3.31Å; K421-R425 WeakPolarHBondContact O-CD 3.49Å; K421-R425 VanDerWaalsContact O-CG 3.3Å; K421-R425 WeakPolarHBondContact O-CG 3.36Å; F422-R425 CarbonylContact O-C 3.55Å; F422-R425 WeakPolarHBondContact O-CA 3.39Å; F422-R425 WeakPolarHBondContact O-CB 3.5Å; F422-R425 PolarHBondContact O-N 3.2Å; I423-R425 PolarHBondContact O-N 2.88Å; I423-R425 VanDerWaalsContact O-N 3.16Å; R425-K427 PolarHBondContact O-N 2.93Å
426G76.3Confident87.6Confident73 Ų7370.9 Ų70.975%0.75334%0.342SS*.THydrogen-bonded Turntrans65.921-175.100000114.3F422 I423F422-G426 PolarHBondContact O-N 3.12Å; I423-G426 PolarHBondContact O-N 3.4Å
427K82.1Confident87.7Confident138 Ų13866.4 Ų66.460%0.633%0.33SS*.  trans-110.1147.8-179.7-65.7-171.7-179.4-173.20111.1F422 R425F422-K427 CarbonylContact C-O 3.39Å; F422-K427 HydrophobicContact CD1-CB 4.47Å; F422-K427 PolarHBondContact O-N 3.32Å; F422-K427 VanDerWaalsContact O-O 3.13Å; R425-K427 PolarHBondContact O-N 2.93Å
428D79.3Confident87.8Confident98 Ų9872.4 Ų72.452%0.52435%0.349SS..  trans-69.6148.2169.7-163.319.8000110.9K130K130-D428 VanDerWaalsContact NZ-CG 3.3Å; K130-D428 IonicContact NZ-OD1 3.16Å; K130-D428 PolarHBondContact NZ-OD1 3.18Å; K130-D428 IonicContact NZ-OD2 2.95Å; K130-D428 PolarHBondContact NZ-OD2 2.8Å; K130-D428 VanDerWaalsContact NZ-OD2 3.16Å
429F85.4Confident87.8Confident5 Ų571.8 Ų71.82%0.02235%0.349CS..  trans-106.6140.6-179.966-88.1000111.4Y84 L86 K130 Y418 A419 F422 I423 L431Y84-F429 AromaticContact CD1-CE1 3.98Å; Y84-F429 HydrophobicContact CD1-CE1 3.98Å; Y84-F429 HydrophobicContact CE1-CE1 4.49Å; Y84-F429 HydrophobicContact CG-CE1 4.33Å; L86-F429 HydrophobicContact CD1-CE2 4.2Å; L86-F429 HydrophobicContact CD1-CZ 4.09Å; L86-F429 HydrophobicContact CD2-CZ 4.25Å; L86-F429 HydrophobicContact CG-CZ 4.47Å; K130-F429 HydrophobicContact CD-CZ 4.5Å; Y418-F429 HydrophobicContact CE1-CB 4.26Å; A419-F429 HydrophobicContact CB-CD1 3.98Å; A419-F429 HydrophobicContact CB-CD2 4.05Å; A419-F429 HydrophobicContact CB-CE1 3.93Å; A419-F429 HydrophobicContact CB-CE2 3.99Å; A419-F429 HydrophobicContact CB-CG 4.05Å; A419-F429 HydrophobicContact CB-CZ 3.93Å; F422-F429 HydrophobicContact CB-CB 3.77Å; F422-F429 HydrophobicContact CD2-CB 4.36Å; F422-F429 HydrophobicContact CG-CB 3.99Å; I423-F429 HydrophobicContact CD1-CD1 4.41Å; I423-F429 HydrophobicContact CD1-CE1 4.16Å; I423-F429 HydrophobicContact CG1-CD1 4.25Å; I423-F429 HydrophobicContact CG1-CE1 4.43Å; F429-L431 HydrophobicContact CE2-CD1 4.36Å
430N87.7Confident88Confident81 Ų8171.8 Ų71.843%0.43335%0.349SS..  trans-80.6120.6171.2-174-31.2000109.6E432 L433 A434N430-E432 WeakPolarHBondContact OD1-CB 3.18Å; N430-E432 PolarHBondContact OD1-N 2.94Å; N430-L433 HydrophobicContact CB-CB 4.37Å; N430-L433 HydrophobicContact CB-CD1 4.12Å; N430-L433 HydrophobicContact CB-CG 4.22Å; N430-L433 PolarHBondContact O-N 3.14Å; N430-A434 PolarHBondContact O-N 3.43Å
431L86.4Confident88.3Confident3 Ų371.1 Ų71.12%0.01635%0.348CS..Hα-helixtrans-65.6-37.9-178-17666.2000112.8L86 I128 H144 F429 L433 A434 I435L86-L431 HydrophobicContact CD1-CD1 4.32Å; L86-L431 HydrophobicContact CD2-CD1 4.23Å; I128-L431 HydrophobicContact CB-CD2 3.84Å; I128-L431 HydrophobicContact CD1-CD2 3.87Å; I128-L431 HydrophobicContact CD1-CG 4.31Å; I128-L431 HydrophobicContact CG1-CD2 4.44Å; I128-L431 HydrophobicContact CG2-CD1 4.46Å; I128-L431 HydrophobicContact CG2-CD2 3.7Å; H144-L431 HydrophobicContact CB-CD2 4.18Å; F429-L431 HydrophobicContact CE2-CD1 4.36Å; L431-L433 VanDerWaalsContact C-N 3.32Å; L431-L433 PolarHBondContact O-N 2.67Å; L431-A434 WeakPolarHBondContact O-CB 3.22Å; L431-A434 PolarHBondContact O-N 2.97Å; L431-A434 VanDerWaalsContact O-N 3.14Å; L431-I435 HydrophobicContact CG-CD1 4.38Å; L431-I435 WeakPolarHBondContact O-CG1 3.44Å; L431-I435 PolarHBondContact O-N 2.7Å
432E88.1Confident88.5Confident129 Ų12969 Ų6960%0.60334%0.343SS*.Hα-helixtrans-65.4-37.6-179-63-173.1171.900111.6N430 A434 I435N430-E432 WeakPolarHBondContact OD1-CB 3.18Å; N430-E432 PolarHBondContact OD1-N 2.94Å; E432-A434 VanDerWaalsContact C-N 3.31Å; E432-I435 PolarHBondContact O-N 2.86Å
433L89.6Confident88.7Confident117 Ų11767.3 Ų67.361%0.61334%0.339SS*.Hα-helixtrans-73.3-24.1176-63.7-179.2000112.8Y418 N430 L431 I435Y418-L433 WeakPolarHBondContact OH-CB 3.5Å; N430-L433 HydrophobicContact CB-CB 4.37Å; N430-L433 HydrophobicContact CB-CD1 4.12Å; N430-L433 HydrophobicContact CB-CG 4.22Å; N430-L433 PolarHBondContact O-N 3.14Å; L431-L433 VanDerWaalsContact C-N 3.32Å; L431-L433 PolarHBondContact O-N 2.67Å; L433-I435 VanDerWaalsContact C-N 3.32Å
434A90.3Very high89Confident1 Ų167.1 Ų67.11%0.00834%0.338CS..Hα-helixtrans-71.3-30.2176.500000111.9I415 Y418 N430 L431 E432 K436I415-A434 HydrophobicContact CG1-CB 4.49Å; I415-A434 HydrophobicContact CG2-CB 4.34Å; Y418-A434 HydrophobicContact CD1-CB 3.37Å; Y418-A434 HydrophobicContact CE1-CB 3.85Å; Y418-A434 HydrophobicContact CG-CB 3.98Å; N430-A434 PolarHBondContact O-N 3.43Å; L431-A434 WeakPolarHBondContact O-CB 3.22Å; L431-A434 PolarHBondContact O-N 2.97Å; L431-A434 VanDerWaalsContact O-N 3.14Å; E432-A434 VanDerWaalsContact C-N 3.31Å; A434-K436 PolarHBondContact O-N 2.76Å
435I93.5Very high89.5Confident11 Ų1165.4 Ų65.46%0.05633%0.327CS..  trans-81.1106.6-175.3-64.3166.6000110.3I128 T147 I149 L411 I415 L431 E432 L433 T437I128-I435 HydrophobicContact CD1-CD1 3.62Å; T147-I435 HydrophobicContact CG2-CD1 3.44Å; T147-I435 VanDerWaalsContact CG2-CD1 3.44Å; I149-I435 HydrophobicContact CB-CG2 4.46Å; I149-I435 HydrophobicContact CG2-CD1 4.41Å; I149-I435 HydrophobicContact CG2-CG2 4.06Å; L411-I435 HydrophobicContact CD1-CG2 4.37Å; I415-I435 HydrophobicContact CD1-CG1 3.96Å; I415-I435 HydrophobicContact CG1-CG1 4.38Å; L431-I435 HydrophobicContact CG-CD1 4.38Å; L431-I435 WeakPolarHBondContact O-CG1 3.44Å; L431-I435 PolarHBondContact O-N 2.7Å; E432-I435 PolarHBondContact O-N 2.86Å; L433-I435 VanDerWaalsContact C-N 3.32Å; I435-T437 HydrophobicContact CG2-CG2 4.11Å; I435-T437 PolarHBondContact O-N 2.82Å; I435-T437 VanDerWaalsContact O-N 3.16Å
436K94.2Very high90Very high100 Ų10060.6 Ų60.644%0.43531%0.31SS..  trans-8585.9174.2-67.6-177.7-178.8173.50111.4L411 E414 A434 R438 I439L411-K436 HydrophobicContact CD1-CB 4.42Å; E414-K436 HydrophobicContact CB-CD 4.39Å; E414-K436 IonicContact OE2-NZ 2.98Å; E414-K436 PolarHBondContact OE2-NZ 2.57Å; A434-K436 PolarHBondContact O-N 2.76Å; K436-R438 PolarHBondContact O-N 3.32Å; K436-I439 HydrophobicContact CB-CD1 3.74Å; K436-I439 HydrophobicContact CB-CG1 4.03Å; K436-I439 HydrophobicContact CD-CD1 4.34Å; K436-I439 PolarHBondContact O-N 2.81Å; K436-I439 VanDerWaalsContact O-N 3.08Å
437T94.1Very high90.7Very high44 Ų4457.2 Ų57.227%0.2727%0.274SS..THydrogen-bonded Turntrans-57.1-24.4-177.260.10000115.3F148 I149 I435 I439 S441F148-T437 HydrophobicContact CD1-CG2 3.63Å; F148-T437 HydrophobicContact CE1-CG2 3.73Å; I149-T437 WeakPolarHBondContact O-CA 3.46Å; I435-T437 HydrophobicContact CG2-CG2 4.11Å; I435-T437 PolarHBondContact O-N 2.82Å; I435-T437 VanDerWaalsContact O-N 3.16Å; T437-I439 VanDerWaalsContact C-N 3.29Å; T437-I439 PolarHBondContact O-N 3.38Å; T437-S441 WeakPolarHBondContact O-CB 3.16Å; T437-S441 PolarHBondContact O-N 3.45Å; T437-S441 PolarHBondContact O-OG 3.34Å
438R93.9Very high91.2Very high193 Ų19350.7 Ų50.773%0.72825%0.246SC*.Hα-helixtrans-64-29.4176.9-67.8-171.3-175.9-169.8-0.1113.4K436 I440 D442K436-R438 PolarHBondContact O-N 3.32Å; R438-I440 VanDerWaalsContact C-N 3.35Å; R438-I440 PolarHBondContact O-N 3Å; R438-D442 WeakPolarHBondContact CB-OD2 3.48Å; R438-D442 VanDerWaalsContact O-CB 3.29Å; R438-D442 WeakPolarHBondContact O-CB 3.38Å; R438-D442 PolarHBondContact O-N 3.03Å
439I93.4Very high91.9Very high37 Ų3747.2 Ų47.219%0.1923%0.231CC..Hα-helixtrans-60-46.4-176.2-64.4174.9000111N410 L411 E414 K436 T437 G443N410-I439 HydrophobicContact CB-CG2 4.41Å; L411-I439 HydrophobicContact CD1-CD1 4.21Å; E414-I439 HydrophobicContact CB-CD1 4.18Å; E414-I439 HydrophobicContact CG-CD1 3.81Å; K436-I439 HydrophobicContact CB-CD1 3.74Å; K436-I439 HydrophobicContact CB-CG1 4.03Å; K436-I439 HydrophobicContact CD-CD1 4.34Å; K436-I439 PolarHBondContact O-N 2.81Å; K436-I439 VanDerWaalsContact O-N 3.08Å; T437-I439 VanDerWaalsContact C-N 3.29Å; T437-I439 PolarHBondContact O-N 3.38Å; I439-G443 WeakPolarHBondContact O-CA 3.13Å; I439-G443 PolarHBondContact O-N 3.18Å
440I94Very high92.1Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-77.9-50.7179.1-62.5176000110F404 M407 F408 L411 R438 G443 L444F404-I440 HydrophobicContact CD2-CG2 4.3Å; F404-I440 HydrophobicContact CE2-CD1 4.23Å; F404-I440 HydrophobicContact CE2-CG2 4.08Å; M407-I440 HydrophobicContact CB-CG1 4.45Å; F408-I440 HydrophobicContact CD2-CD1 4.3Å; L411-I440 HydrophobicContact CD2-CD1 3.71Å; L411-I440 HydrophobicContact CD2-CG1 4.42Å; R438-I440 VanDerWaalsContact C-N 3.35Å; R438-I440 PolarHBondContact O-N 3Å; I440-G443 PolarHBondContact O-N 3.27Å; I440-L444 HydrophobicContact CG2-CD1 4.01Å; I440-L444 WeakPolarHBondContact O-CG 3.27Å; I440-L444 PolarHBondContact O-N 2.78Å
441S94.3Very high92.1Very high22 Ų2246.2 Ų46.215%0.15423%0.228CC..Hα-helixtrans-62.8-51.4-172-48.90000112.5G150 K151 T437 K445G150-S441 VanDerWaalsContact CA-OG 3.27Å; G150-S441 WeakPolarHBondContact CA-OG 3.41Å; K151-S441 PolarHBondContact N-OG 3.14Å; T437-S441 WeakPolarHBondContact O-CB 3.16Å; T437-S441 PolarHBondContact O-N 3.45Å; T437-S441 PolarHBondContact O-OG 3.34Å; S441-K445 VanDerWaalsContact O-CB 3.22Å; S441-K445 WeakPolarHBondContact O-CB 3.44Å; S441-K445 PolarHBondContact O-N 2.92Å
442D93.1Very high92.1Very high82 Ų8248 Ų4844%0.43924%0.238SC..Hα-helixtrans-77.6-31.1-179-63.4-32.1000111.3R438 Y446R438-D442 WeakPolarHBondContact CB-OD2 3.48Å; R438-D442 VanDerWaalsContact O-CB 3.29Å; R438-D442 WeakPolarHBondContact O-CB 3.38Å; R438-D442 PolarHBondContact O-N 3.03Å; D442-Y446 WeakPolarHBondContact O-CB 3.36Å; D442-Y446 PolarHBondContact O-N 3.08Å
443G92.2Very high92Very high15 Ų1542.5 Ų42.516%0.15521%0.212CC..Hα-helixtrans-60.1-54.3175.900000112.2M407 I439 I440 Y446 S447M407-G443 WeakPolarHBondContact CE-O 3.41Å; I439-G443 WeakPolarHBondContact O-CA 3.13Å; I439-G443 PolarHBondContact O-N 3.18Å; I440-G443 PolarHBondContact O-N 3.27Å; G443-Y446 PolarHBondContact O-N 2.78Å; G443-S447 PolarHBondContact O-N 2.89Å; G443-S447 PolarHBondContact O-OG 3.21Å
444L93.8Very high91.4Very high4 Ų438 Ų382%0.02119%0.194CC..Hα-helixtrans-64-43.8178-69.7176.5000111.4I152 P153 L400 L403 M407 I440 Y446 S447 L448I152-L444 HydrophobicContact CG1-CD1 4.19Å; P153-L444 HydrophobicContact CG-CB 4.37Å; L400-L444 HydrophobicContact CD2-CD2 4.47Å; L403-L444 HydrophobicContact CB-CD2 4.16Å; M407-L444 HydrophobicContact CE-CD2 4.26Å; M407-L444 HydrophobicContact SD-CD2 3.94Å; M407-L444 HydrophobicContact SD-CG 3.87Å; I440-L444 HydrophobicContact CG2-CD1 4.01Å; I440-L444 WeakPolarHBondContact O-CG 3.27Å; I440-L444 PolarHBondContact O-N 2.78Å; L444-Y446 VanDerWaalsContact C-N 3.32Å; L444-Y446 PolarHBondContact O-N 2.81Å; L444-S447 PolarHBondContact O-N 2.94Å; L444-L448 WeakPolarHBondContact O-CB 3.41Å; L444-L448 VanDerWaalsContact O-CG 3.32Å; L444-L448 WeakPolarHBondContact O-CG 3.43Å; L444-L448 PolarHBondContact O-N 2.99Å
445K94.4Very high90.6Very high40 Ų4042.3 Ų42.317%0.17422%0.217CC..Hα-helixtrans-56.2-45.2175.8-178.6178.7-179.41730111.5I187 N188 S441 A449I187-K445 HydrophobicContact CG2-CG 3.98Å; N188-K445 WeakPolarHBondContact OD1-CE 3.49Å; N188-K445 PolarHBondContact OD1-NZ 3.42Å; S441-K445 VanDerWaalsContact O-CB 3.22Å; S441-K445 WeakPolarHBondContact O-CB 3.44Å; S441-K445 PolarHBondContact O-N 2.92Å; K445-A449 WeakPolarHBondContact O-CB 3.19Å; K445-A449 PolarHBondContact O-N 2.68Å
446Y93Very high89.6Confident80 Ų8045.4 Ų45.431%0.31424%0.236SC..Hα-helixtrans-67-49.7-179.3175.5-93000112.5D442 G443 L444 L448 A449 T450 V456D442-Y446 WeakPolarHBondContact O-CB 3.36Å; D442-Y446 PolarHBondContact O-N 3.08Å; G443-Y446 PolarHBondContact O-N 2.78Å; L444-Y446 VanDerWaalsContact C-N 3.32Å; L444-Y446 PolarHBondContact O-N 2.81Å; Y446-L448 VanDerWaalsContact C-N 3.33Å; Y446-L448 PolarHBondContact O-N 3.36Å; Y446-A449 PolarHBondContact O-N 3.41Å; Y446-T450 HydrophobicContact CD2-CG2 3.95Å; Y446-T450 HydrophobicContact CE1-CG2 4.42Å; Y446-T450 HydrophobicContact CE2-CG2 3.63Å; Y446-T450 HydrophobicContact CG-CG2 4.47Å; Y446-T450 WeakPolarHBondContact O-CB 3.35Å; Y446-T450 WeakPolarHBondContact O-CG2 3.4Å; Y446-T450 PolarHBondContact O-N 3.35Å; Y446-T450 PolarHBondContact O-OG1 3.28Å; Y446-V456 HydrophobicContact CD1-CG2 3.61Å; Y446-V456 HydrophobicContact CE1-CB 4.17Å; Y446-V456 HydrophobicContact CE1-CG1 3.86Å; Y446-V456 HydrophobicContact CE1-CG2 3.58Å; Y446-V456 HydrophobicContact CE2-CG1 4.45Å; Y446-V456 HydrophobicContact CG-CG2 4.38Å
447S91.9Very high88.6Confident1 Ų149.9 Ų49.91%0.00726%0.255CS..Hα-helixtrans-62.1-41.1-179.2-71.20000111.8G443 L444 G451 N452G443-S447 PolarHBondContact O-N 2.89Å; G443-S447 PolarHBondContact O-OG 3.21Å; L444-S447 PolarHBondContact O-N 2.94Å; S447-G451 WeakPolarHBondContact O-CA 3.42Å; S447-G451 PolarHBondContact O-N 2.8Å; S447-N452 WeakPolarHBondContact CB-O 3.3Å; S447-N452 PolarHBondContact OG-O 3.27Å
448L93Very high87.6Confident1 Ų154 Ų541%0.00527%0.27CS..Hα-helixtrans-70.2-37.7176.1-69.5171.4000113.1P153 I187 L194 L400 L444 Y446 W453 S467P153-L448 HydrophobicContact CB-CD1 3.86Å; P153-L448 HydrophobicContact CG-CD1 3.77Å; I187-L448 HydrophobicContact CD1-CB 4.36Å; I187-L448 HydrophobicContact CD1-CD1 4.11Å; I187-L448 HydrophobicContact CG1-CB 4.1Å; L194-L448 HydrophobicContact CD1-CD2 4.13Å; L194-L448 HydrophobicContact CD2-CD2 3.69Å; L194-L448 HydrophobicContact CG-CD2 4.28Å; L400-L448 HydrophobicContact CD2-CD2 4.3Å; L444-L448 WeakPolarHBondContact O-CB 3.41Å; L444-L448 VanDerWaalsContact O-CG 3.32Å; L444-L448 WeakPolarHBondContact O-CG 3.43Å; L444-L448 PolarHBondContact O-N 2.99Å; Y446-L448 VanDerWaalsContact C-N 3.33Å; Y446-L448 PolarHBondContact O-N 3.36Å; L448-W453 HydrophobicContact CD2-CH2 3.6Å; L448-W453 HydrophobicContact CD2-CZ3 4.07Å; L448-S467 VanDerWaalsContact O-CB 3.32Å; L448-S467 WeakPolarHBondContact O-CB 3.41Å; L448-S467 PolarHBondContact O-OG 2.89Å
449A92.6Very high86Confident25 Ų2546.2 Ų46.221%0.20725%0.246CC..Hα-helixtrans-69.9-44.9-179.900000112.4I187 K192 K445 Y446I187-A449 HydrophobicContact CG2-CB 3.98Å; K192-A449 PolarHBondContact NZ-O 2.75Å; K445-A449 WeakPolarHBondContact O-CB 3.19Å; K445-A449 PolarHBondContact O-N 2.68Å; Y446-A449 PolarHBondContact O-N 3.41Å
450T89.9Confident84.4Confident64 Ų6454 Ų5439%0.39328%0.281SS..Hα-helixtrans-87.4-26.7-174.4610000113.5Y446 N452Y446-T450 HydrophobicContact CD2-CG2 3.95Å; Y446-T450 HydrophobicContact CE1-CG2 4.42Å; Y446-T450 HydrophobicContact CE2-CG2 3.63Å; Y446-T450 HydrophobicContact CG-CG2 4.47Å; Y446-T450 WeakPolarHBondContact O-CB 3.35Å; Y446-T450 WeakPolarHBondContact O-CG2 3.4Å; Y446-T450 PolarHBondContact O-N 3.35Å; Y446-T450 PolarHBondContact O-OG1 3.28Å; T450-N452 VanDerWaalsContact C-N 3.31Å; T450-N452 PolarHBondContact OG1-N 2.82Å
451G88Confident83Confident1 Ų161.6 Ų61.61%0.0132%0.317CS..  trans78.713.4-17300000114.5S447 G465S447-G451 WeakPolarHBondContact O-CA 3.42Å; S447-G451 PolarHBondContact O-N 2.8Å; G451-G465 PolarHBondContact O-N 3.16Å; G451-G465 VanDerWaalsContact O-N 3.1Å
452N87.5Confident81.6Confident41 Ų4161.5 Ų61.522%0.21932%0.317CS..EExtended strand (participates in β ladder)trans-92.1113.7173.2-65.9-33.8000110.1S447 T450S447-N452 WeakPolarHBondContact CB-O 3.3Å; S447-N452 PolarHBondContact OG-O 3.27Å; T450-N452 VanDerWaalsContact C-N 3.31Å; T450-N452 PolarHBondContact OG1-N 2.82Å
453W84.9Confident80.8Confident13 Ų1364.2 Ų64.25%0.04932%0.321CS..EExtended strand (participates in β ladder)trans-9598-175.6-128.3-105000111.6L194 L399 L400 L403 L448 A462 R463 V466L194-W453 HydrophobicContact CD1-CH2 3.82Å; L194-W453 HydrophobicContact CD1-CZ2 4.17Å; L194-W453 HydrophobicContact CD2-CH2 3.33Å; L194-W453 HydrophobicContact CD2-CZ2 4.32Å; L194-W453 HydrophobicContact CD2-CZ3 3.72Å; L194-W453 HydrophobicContact CG-CH2 4.23Å; L399-W453 HydrophobicContact CB-CZ2 3.8Å; L399-W453 PolarHBondContact O-NE1 2.92Å; L400-W453 HydrophobicContact CD2-CZ2 4.36Å; L403-W453 HydrophobicContact CD1-CD2 3.76Å; L403-W453 HydrophobicContact CD1-CE3 4.25Å; L403-W453 HydrophobicContact CD1-CG 4.25Å; L403-W453 HydrophobicContact CD1-CH2 4.01Å; L403-W453 HydrophobicContact CD1-CZ2 3.49Å; L403-W453 VanDerWaalsContact CD1-CZ2 3.49Å; L403-W453 HydrophobicContact CD1-CZ3 4.36Å; L403-W453 HydrophobicContact CD2-CG 4.18Å; L403-W453 HydrophobicContact CG-CD2 4.33Å; L403-W453 HydrophobicContact CG-CG 4.35Å; L403-W453 HydrophobicContact CG-CZ2 4.32Å; L448-W453 HydrophobicContact CD2-CH2 3.6Å; L448-W453 HydrophobicContact CD2-CZ3 4.07Å; W453-A462 WeakPolarHBondContact O-CB 3.43Å; W453-R463 HydrophobicContact CB-CB 4.33Å; W453-R463 PolarHBondContact N-O 2.9Å; W453-R463 VanDerWaalsContact N-O 3.11Å; W453-V466 HydrophobicContact CB-CG2 4.14Å; W453-V466 HydrophobicContact CD2-CB 4.03Å; W453-V466 HydrophobicContact CD2-CG1 3.8Å; W453-V466 HydrophobicContact CD2-CG2 4.41Å; W453-V466 HydrophobicContact CE3-CB 3.73Å; W453-V466 HydrophobicContact CE3-CG1 3.76Å; W453-V466 HydrophobicContact CE3-CG2 4.48Å; W453-V466 HydrophobicContact CG-CB 4.44Å; W453-V466 HydrophobicContact CG-CG1 4.4Å; W453-V466 HydrophobicContact CG-CG2 4.3Å; W453-V466 HydrophobicContact CH2-CG1 4.29Å; W453-V466 HydrophobicContact CZ2-CG1 4.33Å; W453-V466 HydrophobicContact CZ3-CB 4.26Å; W453-V466 HydrophobicContact CZ3-CG1 4.02Å
454G78Confident80.2Confident23 Ų2367 Ų6724%0.23734%0.343CS..SBendtrans142.4-159.2177.500000114.4V456G454-V456 PolarHBondContact O-N 3.23Å
455D73.3Confident79.5Confident92 Ų9268.2 Ų68.249%0.49236%0.357SS..  trans-66.7126.6178.6-1762000111.3K457 K458 A459D455-K457 PolarHBondContact O-N 2.71Å; D455-K457 PolarHBondContact OD1-N 2.88Å; D455-K458 CarbonylContact O-C 3.55Å; D455-K458 PolarHBondContact O-N 3.17Å; D455-A459 PolarHBondContact O-N 3.31Å
456V73.1Confident79.2Confident76 Ų7666.4 Ų66.446%0.46135%0.349SS..G310 helixtrans-54.2-36.8177.8-174.30000111.3Y446 G454 K458 A459Y446-V456 HydrophobicContact CD1-CG2 3.61Å; Y446-V456 HydrophobicContact CE1-CB 4.17Å; Y446-V456 HydrophobicContact CE1-CG1 3.86Å; Y446-V456 HydrophobicContact CE1-CG2 3.58Å; Y446-V456 HydrophobicContact CE2-CG1 4.45Å; Y446-V456 HydrophobicContact CG-CG2 4.38Å; G454-V456 PolarHBondContact O-N 3.23Å; V456-K458 PolarHBondContact O-N 3.38Å; V456-A459 PolarHBondContact O-N 3.19Å
457K72.9Confident79.2Confident193 Ų19363 Ų6384%0.83934%0.337SS*.G310 helixtrans-69.1-20.6-179.1-64.7-177.9-179.3179.80113.2D455D455-K457 PolarHBondContact O-N 2.71Å; D455-K457 PolarHBondContact OD1-N 2.88Å
458K72.9Confident79.3Confident131 Ų13165.2 Ų65.257%0.5735%0.347SS*.G310 helixtrans-116.235.5178.8-63.8-176.2-179.5179.20111.7D455 V456 H460 Q461 A462D455-K458 CarbonylContact O-C 3.55Å; D455-K458 PolarHBondContact O-N 3.17Å; V456-K458 PolarHBondContact O-N 3.38Å; K458-H460 PolarHBondContact O-N 3.04Å; K458-Q461 PolarHBondContact O-N 3.43Å; K458-A462 PolarHBondContact O-N 3.46Å
459A59Low79.5Confident29 Ų2969.2 Ų69.224%0.2437%0.372CS..G310 helixtrans-53.1-32.7-175.600000114.3D455 V456 Q461 A462D455-A459 PolarHBondContact O-N 3.31Å; V456-A459 PolarHBondContact O-N 3.19Å; A459-Q461 VanDerWaalsContact C-N 3.28Å; A459-Q461 PolarHBondContact O-N 2.9Å; A459-A462 WeakPolarHBondContact O-CB 3.37Å; A459-A462 PolarHBondContact O-N 2.89Å
460H59.7Low79.7Confident200 Ų20068.5 Ų68.593%0.92636%0.364SS*.G310 helixtrans-69.3-21.2177.7-63.3-53.1000114.6K458K458-H460 PolarHBondContact O-N 3.04Å
461Q66.2Low79.9Confident161 Ų16168 Ų6875%0.75236%0.359SS*.G310 helixtrans-96.9-12.2176.2-64.7179.3-1300112.2K458 A459K458-Q461 PolarHBondContact O-N 3.43Å; A459-Q461 VanDerWaalsContact C-N 3.28Å; A459-Q461 PolarHBondContact O-N 2.9Å
462A63.6Low80.2Confident19 Ų1969.3 Ų69.316%0.15736%0.364CS..SBendtrans-70146.7179.600000110.8W453 K458 A459 A464W453-A462 WeakPolarHBondContact O-CB 3.43Å; K458-A462 PolarHBondContact O-N 3.46Å; A459-A462 WeakPolarHBondContact O-CB 3.37Å; A459-A462 PolarHBondContact O-N 2.89Å; A462-A464 PolarHBondContact O-N 3.39Å
463R76.3Confident80.5Confident139 Ų13968 Ų6853%0.52536%0.357SS..EExtended strand (participates in β ladder)trans-65.5112172.8-64.2-179.6-173.9173.42.1108W453 V466W453-R463 HydrophobicContact CB-CB 4.33Å; W453-R463 PolarHBondContact N-O 2.9Å; W453-R463 VanDerWaalsContact N-O 3.11Å; R463-V466 HydrophobicContact CB-CG2 4.09Å
464A79.4Confident81Confident74 Ų7467.6 Ų67.661%0.61236%0.356SS*.EExtended strand (participates in β ladder)trans-89.7148.7179.600000111.3A462A462-A464 PolarHBondContact O-N 3.39Å
465G79.2Confident81.9Confident30 Ų3067 Ų6731%0.30935%0.346SS..SBendtrans82.416.1172.500000115.2G451 Q468G451-G465 PolarHBondContact O-N 3.16Å; G451-G465 VanDerWaalsContact O-N 3.1Å; G465-Q468 PolarHBondContact O-NE2 2.95Å
466V88.1Confident82.9Confident1 Ų162.9 Ų62.91%0.00633%0.326CS..SBendtrans-70.3-46174.7179.90000110.9I195 Q197 L399 W453 R463I195-V466 PolarHBondContact N-O 3.3Å; Q197-V466 HydrophobicContact CG-CG1 4.39Å; Q197-V466 HydrophobicContact CG-CG2 4.34Å; L399-V466 HydrophobicContact CD1-CG1 3.72Å; L399-V466 HydrophobicContact CD2-CG1 4.39Å; W453-V466 HydrophobicContact CB-CG2 4.14Å; W453-V466 HydrophobicContact CD2-CB 4.03Å; W453-V466 HydrophobicContact CD2-CG1 3.8Å; W453-V466 HydrophobicContact CD2-CG2 4.41Å; W453-V466 HydrophobicContact CE3-CB 3.73Å; W453-V466 HydrophobicContact CE3-CG1 3.76Å; W453-V466 HydrophobicContact CE3-CG2 4.48Å; W453-V466 HydrophobicContact CG-CB 4.44Å; W453-V466 HydrophobicContact CG-CG1 4.4Å; W453-V466 HydrophobicContact CG-CG2 4.3Å; W453-V466 HydrophobicContact CH2-CG1 4.29Å; W453-V466 HydrophobicContact CZ2-CG1 4.33Å; W453-V466 HydrophobicContact CZ3-CB 4.26Å; W453-V466 HydrophobicContact CZ3-CG1 4.02Å; R463-V466 HydrophobicContact CB-CG2 4.09Å
467S94.1Very high84Confident8 Ų859.3 Ų59.36%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-96.3130.9170.2-179.60000110.5V193 L448V193-S467 WeakPolarHBondContact O-CA 3.36Å; L448-S467 VanDerWaalsContact O-CB 3.32Å; L448-S467 WeakPolarHBondContact O-CB 3.41Å; L448-S467 PolarHBondContact O-OG 2.89Å
468Q94.1Very high85.2Confident48 Ų4850.1 Ų50.122%0.22426%0.264CS..EExtended strand (participates in β ladder)trans-127.7155.3179.2-61.6-177.311.400110.2K192 V193 I195 G465 L470 H481K192-Q468 CarbonylContact C-O 3.56Å; K192-Q468 WeakPolarHBondContact CA-O 3.45Å; V193-Q468 HydrophobicContact CG1-CB 4.43Å; V193-Q468 PolarHBondContact N-O 3.16Å; V193-Q468 PolarHBondContact O-N 3.26Å; I195-Q468 HydrophobicContact CG1-CG 4.04Å; G465-Q468 PolarHBondContact O-NE2 2.95Å; Q468-L470 PolarHBondContact O-N 3.48Å; Q468-H481 PolarHBondContact OE1-NE2 3Å
469V96.3Very high86.3Confident86 Ų8644 Ų4452%0.52124%0.237SC..EExtended strand (participates in β ladder)trans-70.3129.5170.8179.50000108.4E191 K192 N471 H481E191-V469 WeakPolarHBondContact O-CA 3.42Å; K192-V469 HydrophobicContact CD-CG2 4.25Å; V469-N471 PolarHBondContact O-N 3.2Å; V469-H481 PolarHBondContact O-CE1 3.11Å
470L96.7Very high88.1Confident9 Ų942.6 Ų42.65%0.04723%0.226CC..  trans-59.9138179.8-175.260.2000110.3Y184 E191 V193 Q468 R472 T478 H481 L482Y184-L470 HydrophobicContact CD1-CD2 3.76Å; Y184-L470 HydrophobicContact CD2-CD2 4.19Å; Y184-L470 HydrophobicContact CE1-CD2 4.18Å; Y184-L470 HydrophobicContact CG-CD2 3.79Å; E191-L470 HydrophobicContact CB-CB 3.94Å; E191-L470 HydrophobicContact CB-CD2 4.39Å; E191-L470 PolarHBondContact O-N 2.93Å; V193-L470 HydrophobicContact CB-CD1 4.27Å; V193-L470 HydrophobicContact CG1-CB 4.45Å; V193-L470 HydrophobicContact CG1-CD1 4.12Å; Q468-L470 PolarHBondContact O-N 3.48Å; L470-R472 VanDerWaalsContact CD2-NE 3.34Å; L470-R472 HydrophobicContact CG-CG 4.42Å; L470-R472 PolarHBondContact O-N 2.77Å; L470-T478 HydrophobicContact CD1-CG2 4.23Å; L470-T478 HydrophobicContact CD2-CG2 4.18Å; L470-T478 HydrophobicContact CG-CG2 4.43Å; L470-H481 HydrophobicContact CD1-CB 4.09Å; L470-L482 HydrophobicContact CD1-CD2 4.19Å; L470-L482 HydrophobicContact CD1-CG 4.17Å
471N95.3Very high89.9Confident54 Ų5433.4 Ų33.429%0.28918%0.183SC..  trans-95.6105.4-177.2-177.54.1000108.9V469 L473 S477 T478 H481V469-N471 PolarHBondContact O-N 3.2Å; N471-L473 PolarHBondContact OD1-N 3.34Å; N471-S477 VanDerWaalsContact CG-OG 3.23Å; N471-S477 PolarHBondContact ND2-OG 2.91Å; N471-T478 PolarHBondContact O-OG1 3.33Å; N471-H481 PolarHBondContact N-ND1 2.83Å; N471-H481 VanDerWaalsContact N-ND1 3.13Å
472R93.9Very high91.3Very high29 Ų2925.8 Ų25.811%0.10915%0.148CC..  trans-99.424.8-174.6-70.2-68.9-167.1176.12.5114.2D180 Y184 E191 L470 Y736D180-R472 IonicContact OD1-CZ 3.85Å; D180-R472 VanDerWaalsContact OD1-CZ 3.32Å; D180-R472 IonicContact OD1-NH1 2.7Å; D180-R472 PolarHBondContact OD1-NH1 2.98Å; D180-R472 IonicContact OD1-NH2 3.18Å; D180-R472 PolarHBondContact OD1-NH2 3.04Å; D180-R472 IonicContact OD2-NH2 3.32Å; D180-R472 PolarHBondContact OD2-NH2 3.2Å; Y184-R472 PolarHBondContact OH-NH2 3.36Å; E191-R472 IonicContact OE1-NH2 3.19Å; E191-R472 WeakPolarHBondContact OE2-CG 3.22Å; E191-R472 IonicContact OE2-CZ 3.53Å; E191-R472 IonicContact OE2-NE 3.67Å; E191-R472 PolarHBondContact OE2-NE 2.85Å; E191-R472 IonicContact OE2-NH2 3.82Å; L470-R472 VanDerWaalsContact CD2-NE 3.34Å; L470-R472 HydrophobicContact CG-CG 4.42Å; L470-R472 PolarHBondContact O-N 2.77Å; R472-Y736 HydrophobicContact CB-CD2 4.27Å; R472-Y736 HydrophobicContact CB-CE2 4.49Å; R472-Y736 WeakPolarHBondContact O-CB 3.46Å; R472-Y736 WeakPolarHBondContact O-CD2 3.37Å
473L94.3Very high92.9Very high14 Ų1425.1 Ų25.17%0.07314%0.141CC..SBendtrans-66.2-41.4-179.7-170.872.5000112.9N471 K730 Q731 A732 K1052N471-L473 PolarHBondContact OD1-N 3.34Å; L473-K730 VanDerWaalsContact CD2-O 3.29Å; L473-K730 WeakPolarHBondContact CD2-O 3.48Å; L473-Q731 VanDerWaalsContact CD2-CA 3.47Å; L473-Q731 WeakPolarHBondContact CD2-O 3.4Å; L473-A732 WeakPolarHBondContact CD2-O 3.17Å; L473-K1052 HydrophobicContact CD1-CB 4.27Å; L473-K1052 HydrophobicContact CD1-CD 4.26Å; L473-K1052 HydrophobicContact CD2-CB 4.25Å; L473-K1052 HydrophobicContact CD2-CD 3.76Å; L473-K1052 HydrophobicContact CD2-CG 4.2Å
474T95.1Very high93.9Very high4 Ų420.3 Ų20.33%0.02512%0.123CC..SBendtrans-142.3163.6175.453.10000109.9S477 T478 A732 A774T474-S477 PolarHBondContact O-N 2.83Å; T474-S477 WeakPolarHBondContact OG1-CB 3.36Å; T474-S477 PolarHBondContact OG1-N 3.5Å; T474-T478 PolarHBondContact O-N 3.48Å; T474-T478 VanDerWaalsContact O-N 3.12Å; T474-T478 PolarHBondContact O-OG1 3.22Å; T474-A732 WeakPolarHBondContact CG2-O 3.27Å; T474-A774 HydrophobicContact CG2-CB 4.06Å
475F96.6Very high94.6Very high9 Ų916.8 Ų16.84%0.0399%0.094CC..Hα-helixtrans-59-47.2174.2-168.8-112.3000111.7L179 S477 T478 L479 L767 R768 L772L179-F475 HydrophobicContact CB-CE2 4.37Å; L179-F475 HydrophobicContact CB-CZ 4.43Å; L179-F475 WeakPolarHBondContact O-CE2 3.34Å; L179-F475 WeakPolarHBondContact O-CZ 3.44Å; F475-S477 VanDerWaalsContact C-N 3.31Å; F475-S477 PolarHBondContact O-N 3.05Å; F475-T478 VanDerWaalsContact O-CB 3.31Å; F475-T478 WeakPolarHBondContact O-CB 3.32Å; F475-T478 PolarHBondContact O-N 3.44Å; F475-L479 HydrophobicContact CD1-CD1 3.85Å; F475-L479 HydrophobicContact CD1-CG 4.49Å; F475-L479 HydrophobicContact CE1-CD1 3.51Å; F475-L479 HydrophobicContact CE1-CG 4.18Å; F475-L479 HydrophobicContact CZ-CD1 4.13Å; F475-L479 HydrophobicContact CZ-CD2 4.46Å; F475-L479 HydrophobicContact CZ-CG 4.38Å; F475-L479 PolarHBondContact O-N 3.09Å; F475-L479 VanDerWaalsContact O-N 3.09Å; F475-L767 VanDerWaalsContact CE1-O 3.25Å; F475-L767 WeakPolarHBondContact CE1-O 3.24Å; F475-R768 HydrophobicContact CE1-CB 4.08Å; F475-L772 HydrophobicContact CB-CB 4.21Å; F475-L772 HydrophobicContact CB-CD1 4.22Å; F475-L772 HydrophobicContact CD2-CD1 3.87Å; F475-L772 HydrophobicContact CE2-CD1 4.42Å; F475-L772 HydrophobicContact CG-CB 4.49Å; F475-L772 HydrophobicContact CG-CD1 4Å
476A94.8Very high95.4Very high7 Ų716.3 Ų16.36%0.0588%0.084CC..Hα-helixtrans-59.4-38.6175.600000113T478 S480A476-T478 VanDerWaalsContact C-N 3.27Å; A476-T478 PolarHBondContact O-N 2.99Å; A476-S480 VanDerWaalsContact O-CB 3.29Å; A476-S480 WeakPolarHBondContact O-CB 3.32Å; A476-S480 PolarHBondContact O-N 3.41Å
477S95.6Very high95.5Very high1 Ų116.4 Ų16.41%0.0079%0.085CC..Hα-helixtrans-65-32.7175.3-178.80000112.4N471 T474 F475 H481N471-S477 VanDerWaalsContact CG-OG 3.23Å; N471-S477 PolarHBondContact ND2-OG 2.91Å; T474-S477 PolarHBondContact O-N 2.83Å; T474-S477 WeakPolarHBondContact OG1-CB 3.36Å; T474-S477 PolarHBondContact OG1-N 3.5Å; F475-S477 VanDerWaalsContact C-N 3.31Å; F475-S477 PolarHBondContact O-N 3.05Å; S477-H481 WeakPolarHBondContact O-CB 3.47Å; S477-H481 PolarHBondContact O-N 3.19Å; S477-H481 VanDerWaalsContact O-N 3.08Å
478T97.3Very high95.1Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-68.4-52.6178.1-61.50000109.8P181 L470 N471 T474 F475 A476 S480 H481 L482P181-T478 HydrophobicContact CG-CG2 4.37Å; L470-T478 HydrophobicContact CD1-CG2 4.23Å; L470-T478 HydrophobicContact CD2-CG2 4.18Å; L470-T478 HydrophobicContact CG-CG2 4.43Å; N471-T478 PolarHBondContact O-OG1 3.33Å; T474-T478 PolarHBondContact O-N 3.48Å; T474-T478 VanDerWaalsContact O-N 3.12Å; T474-T478 PolarHBondContact O-OG1 3.22Å; F475-T478 VanDerWaalsContact O-CB 3.31Å; F475-T478 WeakPolarHBondContact O-CB 3.32Å; F475-T478 PolarHBondContact O-N 3.44Å; A476-T478 VanDerWaalsContact C-N 3.27Å; A476-T478 PolarHBondContact O-N 2.99Å; T478-S480 PolarHBondContact O-N 2.88Å; T478-H481 PolarHBondContact O-N 3.04Å; T478-L482 HydrophobicContact CG2-CD1 3.99Å; T478-L482 WeakPolarHBondContact O-CG 3.38Å; T478-L482 PolarHBondContact O-N 2.86Å; T478-L482 VanDerWaalsContact O-N 3.07Å
479L96.6Very high94.5Very high2 Ų220.9 Ų20.91%0.0111%0.113CC..Hα-helixtrans-57.8-47.8177.9-68.3174.6000111.8L39 V40 P181 F475 H481 L482 R483 V706 L767L39-L479 HydrophobicContact CB-CD2 4.21Å; L39-L479 HydrophobicContact CD1-CD1 3.81Å; L39-L479 HydrophobicContact CD1-CD2 3.99Å; V40-L479 HydrophobicContact CG1-CD2 4.46Å; P181-L479 HydrophobicContact CB-CD2 4.08Å; P181-L479 HydrophobicContact CG-CD2 3.93Å; F475-L479 HydrophobicContact CD1-CD1 3.85Å; F475-L479 HydrophobicContact CD1-CG 4.49Å; F475-L479 HydrophobicContact CE1-CD1 3.51Å; F475-L479 HydrophobicContact CE1-CG 4.18Å; F475-L479 HydrophobicContact CZ-CD1 4.13Å; F475-L479 HydrophobicContact CZ-CD2 4.46Å; F475-L479 HydrophobicContact CZ-CG 4.38Å; F475-L479 PolarHBondContact O-N 3.09Å; F475-L479 VanDerWaalsContact O-N 3.09Å; L479-H481 VanDerWaalsContact C-N 3.26Å; L479-H481 PolarHBondContact O-N 2.9Å; L479-L482 PolarHBondContact O-N 3.39Å; L479-R483 WeakPolarHBondContact O-CG 3.23Å; L479-R483 PolarHBondContact O-N 2.86Å; L479-V706 HydrophobicContact CB-CG1 3.95Å; L479-V706 HydrophobicContact CB-CG2 4.45Å; L479-V706 HydrophobicContact CD1-CG1 4.43Å; L479-L767 HydrophobicContact CD1-CD2 4.38Å
480S96.9Very high93.6Very high0 Ų019.3 Ų19.30%012%0.115CC..Hα-helixtrans-61.6-32.2176172.80000112.9A476 T478 E513 N525 K730A476-S480 VanDerWaalsContact O-CB 3.29Å; A476-S480 WeakPolarHBondContact O-CB 3.32Å; A476-S480 PolarHBondContact O-N 3.41Å; T478-S480 PolarHBondContact O-N 2.88Å; S480-E513 WeakPolarHBondContact CB-OE1 3.31Å; S480-E513 PolarHBondContact OG-OE1 2.95Å; S480-N525 PolarHBondContact O-ND2 2.69Å; S480-N525 PolarHBondContact OG-ND2 2.87Å; S480-K730 WeakPolarHBondContact OG-CE 3.47Å; S480-K730 PolarHBondContact OG-NZ 2.88Å
481H97.4Very high92.8Very high7 Ų725.2 Ų25.23%0.03214%0.136CC..Hα-helixtrans-72.6-39.9178.1-157.7170.1000112Q468 V469 L470 N471 S477 T478 L479 R483 R484Q468-H481 PolarHBondContact OE1-NE2 3Å; V469-H481 PolarHBondContact O-CE1 3.11Å; L470-H481 HydrophobicContact CD1-CB 4.09Å; N471-H481 PolarHBondContact N-ND1 2.83Å; N471-H481 VanDerWaalsContact N-ND1 3.13Å; S477-H481 WeakPolarHBondContact O-CB 3.47Å; S477-H481 PolarHBondContact O-N 3.19Å; S477-H481 VanDerWaalsContact O-N 3.08Å; T478-H481 PolarHBondContact O-N 3.04Å; L479-H481 VanDerWaalsContact C-N 3.26Å; L479-H481 PolarHBondContact O-N 2.9Å; H481-R483 VanDerWaalsContact C-N 3.27Å; H481-R483 PolarHBondContact O-N 3.44Å; H481-R484 PolarHBondContact CD2-NH1 3.39Å; H481-R484 PolarHBondContact CD2-NH2 3.38Å; H481-R484 PolarHBondContact NE2-NH1 3.29Å; H481-R484 WeakPolarHBondContact O-CB 3.08Å; H481-R484 PolarHBondContact O-N 2.92Å
482L96.9Very high91.9Very high0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-67.1-27.6178.9-67.1164.4000112.8V40 Q43 P181 G183 V193 L470 T478 L479V40-L482 HydrophobicContact CG1-CB 3.91Å; V40-L482 HydrophobicContact CG1-CD1 3.81Å; V40-L482 HydrophobicContact CG1-CG 4.46Å; Q43-L482 PolarHBondContact NE2-O 3.38Å; Q43-L482 VanDerWaalsContact NE2-O 3.11Å; P181-L482 HydrophobicContact CB-CD1 4.4Å; P181-L482 HydrophobicContact CG-CD1 3.67Å; G183-L482 WeakPolarHBondContact O-CD2 2.95Å; V193-L482 HydrophobicContact CB-CD2 4.31Å; V193-L482 HydrophobicContact CG2-CD2 3.7Å; L470-L482 HydrophobicContact CD1-CD2 4.19Å; L470-L482 HydrophobicContact CD1-CG 4.17Å; T478-L482 HydrophobicContact CG2-CD1 3.99Å; T478-L482 WeakPolarHBondContact O-CG 3.38Å; T478-L482 PolarHBondContact O-N 2.86Å; T478-L482 VanDerWaalsContact O-N 3.07Å; L479-L482 PolarHBondContact O-N 3.39Å
483R96.3Very high91Very high5 Ų530 Ų302%0.01917%0.172CC..THydrogen-bonded Turntrans-98.720.6179-57.6-168.477.5174.75.5114.4L39 L479 H481 L526 A527 L528 A530L39-R483 VanDerWaalsContact O-CD 3.23Å; L39-R483 WeakPolarHBondContact O-CD 3.44Å; L39-R483 PolarHBondContact O-NE 2.95Å; L479-R483 WeakPolarHBondContact O-CG 3.23Å; L479-R483 PolarHBondContact O-N 2.86Å; H481-R483 VanDerWaalsContact C-N 3.27Å; H481-R483 PolarHBondContact O-N 3.44Å; R483-L526 HydrophobicContact CB-CB 4.34Å; R483-L526 HydrophobicContact CB-CD1 4.39Å; R483-L526 PolarHBondContact O-N 3.1Å; R483-L526 VanDerWaalsContact O-N 3.09Å; R483-A527 VanDerWaalsContact CZ-O 3.28Å; R483-A527 PolarHBondContact NH1-O 2.83Å; R483-A527 PolarHBondContact NH2-O 3.17Å; R483-L528 PolarHBondContact NH1-O 3.07Å; R483-L528 PolarHBondContact NH2-O 3.03Å; R483-A530 PolarHBondContact NH2-O 3.43Å
484R96.7Very high90.1Very high39 Ų3939.3 Ų39.315%0.14721%0.212CC..EExtended strand (participates in β ladder)trans-86140.5-178.2-175.2-177.6-66.9158.111.4111.5I195 A196 H481 V523I195-R484 HydrophobicContact CD1-CB 4.31Å; I195-R484 HydrophobicContact CG2-CB 4.24Å; I195-R484 HydrophobicContact CG2-CG 3.99Å; I195-R484 WeakPolarHBondContact CG2-O 3.34Å; A196-R484 PolarHBondContact N-O 2.86Å; H481-R484 PolarHBondContact CD2-NH1 3.39Å; H481-R484 PolarHBondContact CD2-NH2 3.38Å; H481-R484 PolarHBondContact NE2-NH1 3.29Å; H481-R484 WeakPolarHBondContact O-CB 3.08Å; H481-R484 PolarHBondContact O-N 2.92Å; R484-V523 VanDerWaalsContact CD-CG1 3.5Å; R484-V523 HydrophobicContact CG-CG1 3.65Å
485V95.3Very high89.4Confident0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-116.7141.4172.6-177.60000109.6A196 E198 L393 K524 L526A196-V485 HydrophobicContact CB-CG2 4.12Å; E198-V485 HydrophobicContact CB-CG1 4.37Å; L393-V485 HydrophobicContact CD1-CG2 4.22Å; L393-V485 HydrophobicContact CD2-CG1 3.55Å; V485-K524 HydrophobicContact CB-CB 4.41Å; V485-K524 PolarHBondContact N-O 2.82Å; V485-K524 PolarHBondContact O-N 2.88Å; V485-L526 HydrophobicContact CG2-CD2 3.79Å; V485-L526 HydrophobicContact CG2-CG 4.05Å
486N94.5Very high88.9Confident20 Ų2047 Ų4711%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-123.4124.9179.2179.966.9000111.1I195 A196 Q197 E198I195-N486 HydrophobicContact CG2-CB 3.76Å; A196-N486 PolarHBondContact O-N 3.46Å; Q197-N486 PolarHBondContact OE1-ND2 3.44Å; E198-N486 PolarHBondContact N-O 2.87Å
487S91.3Very high88.5Confident3 Ų354 Ų542%0.02129%0.29CS..  trans-84.2124.4169.4-46.50000110E198 I489 L522E198-S487 PolarHBondContact OE2-OG 3.44Å; S487-I489 PolarHBondContact O-N 2.94Å; S487-L522 PolarHBondContact N-O 3.32Å; S487-L522 PolarHBondContact OG-O 2.81Å
488P84.6Confident88.2Confident78 Ų7855 Ų5551%0.50630%0.296SS..  trans-80.245.7-17134.3-38.3000113.2E198E198-P488 WeakPolarHBondContact O-CD 3.26Å; E198-P488 WeakPolarHBondContact O-CG 3.3Å
489I82.9Confident87.9Confident72 Ų7257.1 Ų57.137%0.36930%0.304SS..SBendtrans-98.2143.8178.2-61174.8000109.3S487 R491 P498 L522S487-I489 PolarHBondContact O-N 2.94Å; I489-R491 PolarHBondContact O-N 2.97Å; I489-P498 HydrophobicContact CD1-CB 3.6Å; I489-P498 HydrophobicContact CD1-CG 3.94Å; I489-L522 HydrophobicContact CB-CD2 4.1Å; I489-L522 HydrophobicContact CD1-CD2 4.28Å
490G76.3Confident87.7Confident53 Ų5363 Ų6355%0.54633%0.331SS..  trans-56.8127.7175.200000111.7D492 G493G490-D492 VanDerWaalsContact C-N 3.27Å; G490-D492 PolarHBondContact O-N 3.39Å; G490-G493 PolarHBondContact O-N 3.14Å
491R79.8Confident87.7Confident133 Ų13368 Ų6850%0.50236%0.357SS..THydrogen-bonded Turntrans-68.7-25.9-173.9-64.7-179.1-178.8178.30.9113.4I489 G493 R499I489-R491 PolarHBondContact O-N 2.97Å; R491-G493 VanDerWaalsContact C-N 3.31Å; R491-R499 PolarHBondContact O-NH2 3.36Å
492D77.4Confident87.7Confident151 Ų15169.8 Ų69.881%0.80737%0.365SS*.THydrogen-bonded Turntrans-77.9-18.8-177.5-54.2-38.1000112.8G490 K494G490-D492 VanDerWaalsContact C-N 3.27Å; G490-D492 PolarHBondContact O-N 3.39Å; D492-K494 PolarHBondContact O-N 3.17Å
493G74Confident87.7Confident33 Ų3376.6 Ų76.634%0.3440%0.402SS..  trans-69127.8178.300000112.1G490 R491 L495 R499G490-G493 PolarHBondContact O-N 3.14Å; R491-G493 VanDerWaalsContact C-N 3.31Å; G493-L495 PolarHBondContact O-N 2.82Å; G493-R499 PolarHBondContact O-NH2 3.4Å
494K74.8Confident87.7Confident209 Ų20977.6 Ų77.691%0.90941%0.409SS*.  trans-8528.1176.2-61.7-173.6-179.3-178.50113.7D492 A496D492-K494 PolarHBondContact O-N 3.17Å; K494-A496 PolarHBondContact O-N 3.24Å
495L81.9Confident87.7Confident119 Ų11976.2 Ų76.262%0.62340%0.404SS*.  trans-73.4116.2176-68.5168.8000109.2G493 P498 R499G493-L495 PolarHBondContact O-N 2.82Å; L495-P498 HydrophobicContact CB-CG 4.18Å; L495-R499 WeakPolarHBondContact O-CD 3.17Å
496A85.1Confident87.8Confident56 Ų5681.1 Ų81.146%0.46342%0.423SS..  trans-77.4-43.8-174.900000113.2K494 R499 Q500K494-A496 PolarHBondContact O-N 3.24Å; A496-R499 WeakPolarHBondContact O-CA 3.14Å; A496-R499 WeakPolarHBondContact O-CB 3.44Å; A496-R499 PolarHBondContact O-N 3.02Å; A496-Q500 PolarHBondContact O-N 2.95Å; A496-Q500 VanDerWaalsContact O-N 3.12Å
497K87.6Confident87.8Confident154 Ų15480.4 Ų80.467%0.6742%0.42SS*.G310 helixtrans-48.7-53.3-174.4-70.2-163.3170.5-161.10115D386 R499 Q500D386-K497 WeakPolarHBondContact OD2-CB 2.83Å; K497-R499 PolarHBondContact O-N 3.31Å; K497-Q500 PolarHBondContact O-N 3.41Å; K497-Q500 VanDerWaalsContact O-N 3.11Å
498P88.4Confident88.1Confident21 Ų2180.3 Ų80.314%0.13642%0.419CS..G310 helixtrans-69.9-8.4-179.128.8-37.2000114.3I489 L495I489-P498 HydrophobicContact CD1-CB 3.6Å; I489-P498 HydrophobicContact CD1-CG 3.94Å; L495-P498 HydrophobicContact CB-CG 4.18Å
499R91.1Very high88.7Confident45 Ų4576.8 Ų76.817%0.1740%0.396CS..G310 helixtrans-99.7-16.5177.7-58.4176.2178.7-93.99.9112.6R491 G493 L495 A496 K497 H518 V520 G521 L522R491-R499 PolarHBondContact O-NH2 3.36Å; G493-R499 PolarHBondContact O-NH2 3.4Å; L495-R499 WeakPolarHBondContact O-CD 3.17Å; A496-R499 WeakPolarHBondContact O-CA 3.14Å; A496-R499 WeakPolarHBondContact O-CB 3.44Å; A496-R499 PolarHBondContact O-N 3.02Å; K497-R499 PolarHBondContact O-N 3.31Å; R499-H518 PolarHBondContact NH1-O 3.12Å; R499-H518 PolarHBondContact NH2-O 3.1Å; R499-V520 WeakPolarHBondContact CG-O 2.88Å; R499-V520 PolarHBondContact NH1-O 3.34Å; R499-G521 WeakPolarHBondContact O-CA 3.22Å; R499-L522 HydrophobicContact CG-CD2 4.03Å; R499-L522 HydrophobicContact CG-CG 4.25Å
500Q93.3Very high89.4Confident126 Ų12673.6 Ų73.659%0.58938%0.38SS*.SBendtrans-71.7151.2177.5-73.6172.5-15.400109.9A496 K497 H502A496-Q500 PolarHBondContact O-N 2.95Å; A496-Q500 VanDerWaalsContact O-N 3.12Å; K497-Q500 PolarHBondContact O-N 3.41Å; K497-Q500 VanDerWaalsContact O-N 3.11Å; Q500-H502 PolarHBondContact O-N 2.91Å
501L95.6Very high90.3Very high104 Ų10473.8 Ų73.855%0.54537%0.372SS..PPolyproline II helixtrans-71.4119.1171.1-170.775000107.9L505 P511L501-L505 HydrophobicContact CD1-CB 4.35Å; L501-L505 HydrophobicContact CD1-CD1 3.62Å; L501-L505 HydrophobicContact CG-CD1 4.35Å; L501-P511 HydrophobicContact CD1-CB 4.39Å; L501-P511 HydrophobicContact CD2-CB 3.82Å
502H97.1Very high91.1Very high44 Ų4467.7 Ų67.720%0.20435%0.35CS..PPolyproline II helixtrans-91.5147.1176-168.7-92.2000110.1D384 H387 Q500 T504 L505D384-H502 IonicContact OD2-CD2 2.94Å; D384-H502 IonicContact OD2-NE2 3.8Å; D384-H502 PolarHBondContact OD2-NE2 3.32Å; H387-H502 AromaticContact CD2-CE1 3.89Å; Q500-H502 PolarHBondContact O-N 2.91Å; H502-T504 PolarHBondContact CE1-OG1 2.86Å; H502-T504 PolarHBondContact ND1-N 3.22Å; H502-T504 PolarHBondContact ND1-OG1 3Å; H502-T504 PolarHBondContact O-N 3.41Å; H502-L505 HydrophobicContact CB-CD1 4.34Å; H502-L505 HydrophobicContact CB-CG 4.33Å; H502-L505 VanDerWaalsContact O-CB 3.3Å; H502-L505 WeakPolarHBondContact O-CB 3.3Å; H502-L505 WeakPolarHBondContact O-CG 3.37Å; H502-L505 PolarHBondContact O-N 3.25Å; H502-L505 VanDerWaalsContact O-N 3.1Å
503N96.7Very high91.9Very high144 Ų14460.6 Ų60.677%0.7731%0.312SS*.G310 helixtrans-60.1-34.7-175.4-65.2-8.2000112.5L505 W506N503-L505 PolarHBondContact O-N 2.85Å; N503-W506 WeakPolarHBondContact O-CB 3.48Å; N503-W506 PolarHBondContact O-N 2.89Å; N503-W506 VanDerWaalsContact O-N 3.09Å
504T97.1Very high93Very high26 Ų2660.3 Ų60.316%0.1630%0.304CS..G310 helixtrans-75.29.618061.80000115.1H387 Y388 H502 W506 T667H387-T504 WeakPolarHBondContact NE2-CG2 3.47Å; Y388-T504 PolarHBondContact N-OG1 3.44Å; Y388-T504 VanDerWaalsContact N-OG1 3.17Å; H502-T504 PolarHBondContact CE1-OG1 2.86Å; H502-T504 PolarHBondContact ND1-N 3.22Å; H502-T504 PolarHBondContact ND1-OG1 3Å; H502-T504 PolarHBondContact O-N 3.41Å; T504-W506 VanDerWaalsContact C-N 3.34Å; T504-T667 HydrophobicContact CG2-CG2 4.38Å; T504-T667 WeakPolarHBondContact O-CG2 3.06Å
505L97.1Very high93.8Very high9 Ų952.3 Ų52.35%0.04727%0.273CS..G310 helixtrans-85.8-9.7166.7-61.8175.7000112.4Y388 L501 H502 N503 G507 M508 V509Y388-L505 HydrophobicContact CD1-CD2 4.14Å; Y388-L505 HydrophobicContact CD2-CD2 3.52Å; Y388-L505 HydrophobicContact CE1-CD2 4.38Å; Y388-L505 HydrophobicContact CE2-CD2 3.84Å; Y388-L505 HydrophobicContact CG-CD2 3.7Å; L501-L505 HydrophobicContact CD1-CB 4.35Å; L501-L505 HydrophobicContact CD1-CD1 3.62Å; L501-L505 HydrophobicContact CG-CD1 4.35Å; H502-L505 HydrophobicContact CB-CD1 4.34Å; H502-L505 HydrophobicContact CB-CG 4.33Å; H502-L505 VanDerWaalsContact O-CB 3.3Å; H502-L505 WeakPolarHBondContact O-CB 3.3Å; H502-L505 WeakPolarHBondContact O-CG 3.37Å; H502-L505 PolarHBondContact O-N 3.25Å; H502-L505 VanDerWaalsContact O-N 3.1Å; N503-L505 PolarHBondContact O-N 2.85Å; L505-G507 PolarHBondContact O-N 3Å; L505-M508 PolarHBondContact O-N 3.05Å; L505-V509 HydrophobicContact CB-CB 4.21Å; L505-V509 HydrophobicContact CD2-CB 3.99Å; L505-V509 HydrophobicContact CD2-CG2 3.92Å; L505-V509 PolarHBondContact O-N 2.92Å
506W97.4Very high94.1Very high104 Ų10452.4 Ų52.439%0.39427%0.27SS..THydrogen-bonded Turntrans-51.5128.2176.7-177.4-94.2000111.3N503 T504 M508 M677 E697 I703N503-W506 WeakPolarHBondContact O-CB 3.48Å; N503-W506 PolarHBondContact O-N 2.89Å; N503-W506 VanDerWaalsContact O-N 3.09Å; T504-W506 VanDerWaalsContact C-N 3.34Å; W506-M508 PolarHBondContact O-N 3.45Å; W506-M677 HydrophobicContact CH2-CE 4.34Å; W506-M677 HydrophobicContact CZ2-CE 3.86Å; W506-M677 HydrophobicContact CZ2-SD 4.22Å; W506-E697 PolarHBondContact NE1-OE1 2.66Å; W506-I703 HydrophobicContact CD2-CG2 4.24Å; W506-I703 HydrophobicContact CE3-CD1 4.33Å; W506-I703 HydrophobicContact CH2-CD1 3.62Å; W506-I703 HydrophobicContact CH2-CG2 4.31Å; W506-I703 HydrophobicContact CZ2-CD1 4.24Å; W506-I703 HydrophobicContact CZ2-CG2 3.88Å; W506-I703 HydrophobicContact CZ3-CD1 3.67Å
507G95Very high94.2Very high5 Ų551.9 Ų51.95%0.05227%0.271CS..THydrogen-bonded Turntrans68.9-12.5-177.700000116.5L505 A527L505-G507 PolarHBondContact O-N 3Å; G507-A527 WeakPolarHBondContact O-CB 3.36Å
508M97Very high94.2Very high0 Ų051.8 Ų51.80%027%0.272CS..THydrogen-bonded Turntrans-102.2-47.5-175.2-57.7-57.2178.700112.3L505 W506 A527 A530 I621 R623 E670L505-M508 PolarHBondContact O-N 3.05Å; W506-M508 PolarHBondContact O-N 3.45Å; M508-A527 PolarHBondContact O-N 3.32Å; M508-A530 VanDerWaalsContact O-CB 3.26Å; M508-A530 WeakPolarHBondContact O-CB 3.39Å; M508-I621 HydrophobicContact CB-CD1 3.82Å; M508-I621 HydrophobicContact CB-CG1 4.06Å; M508-I621 HydrophobicContact CB-CG2 4.14Å; M508-I621 HydrophobicContact CG-CG1 4.4Å; M508-I621 HydrophobicContact CG-CG2 4.05Å; M508-I621 WeakPolarHBondContact O-CD1 3.42Å; M508-I621 HydrophobicContact SD-CB 4.4Å; M508-I621 HydrophobicContact SD-CG1 3.87Å; M508-I621 HydrophobicContact SD-CG2 4.03Å; M508-R623 HydrophobicContact CE-CB 4.41Å; M508-R623 HydrophobicContact CE-CG 3.88Å; M508-R623 HydrophobicContact SD-CB 4.25Å; M508-R623 HydrophobicContact SD-CG 4.31Å; M508-E670 WeakPolarHBondContact CE-OE2 3.32Å
509V97.3Very high94.3Very high5 Ų551.6 Ų51.63%0.0327%0.272CS..BIsolated β-bridgetrans-129.1140.7-176.6173.10000109Y388 L505 K524 N525 I621Y388-V509 HydrophobicContact CE1-CG2 4.37Å; L505-V509 HydrophobicContact CB-CB 4.21Å; L505-V509 HydrophobicContact CD2-CB 3.99Å; L505-V509 HydrophobicContact CD2-CG2 3.92Å; L505-V509 PolarHBondContact O-N 2.92Å; V509-K524 HydrophobicContact CG1-CB 3.79Å; V509-K524 HydrophobicContact CG1-CD 4.34Å; V509-K524 HydrophobicContact CG1-CG 4.34Å; V509-N525 WeakPolarHBondContact CG1-O 3.3Å; V509-I621 HydrophobicContact CG2-CD1 4.47Å
510C97.6Very high94.4Very high5 Ų552.6 Ų52.63%0.03428%0.283CS..  trans-62.9130.9-179.7-178.70000111.6A512 E513 N525 G705C510-A512 PolarHBondContact O-N 3.39Å; C510-E513 HydrophobicContact CB-CB 3.84Å; C510-E513 VanDerWaalsContact SG-CB 3.51Å; C510-E513 PolarHBondContact SG-N 3.33Å; C510-E513 VanDerWaalsContact SG-N 3.38Å; C510-N525 PolarHBondContact N-O 2.88Å; C510-G705 PolarHBondContact SG-N 2.81Å
511P95.9Very high94.3Very high56 Ų5647 Ų4736%0.36426%0.26SS..SBendtrans-70.8-30.7-179.226.7-35.2000113.4L501 I703 L704L501-P511 HydrophobicContact CD1-CB 4.39Å; L501-P511 HydrophobicContact CD2-CB 3.82Å; P511-I703 WeakPolarHBondContact CD-O 3.39Å; P511-L704 HydrophobicContact CG-CD2 4.48Å
512A95Very high94.2Very high6 Ų642.2 Ų42.25%0.0524%0.235CC..SBendtrans-100.2-24.5-173.100000113.6C510 T514 N722 T723C510-A512 PolarHBondContact O-N 3.39Å; A512-T514 PolarHBondContact O-N 3.38Å; A512-T514 VanDerWaalsContact O-N 3.15Å; A512-N722 HydrophobicContact CB-CB 3.97Å; A512-T723 WeakPolarHBondContact O-CA 3.43Å; A512-T723 VanDerWaalsContact O-CB 3.3Å; A512-T723 WeakPolarHBondContact O-CB 3.45Å; A512-T723 WeakPolarHBondContact O-CG2 3.09Å; A512-T723 PolarHBondContact O-OG1 2.87Å
513E95.9Very high94.1Very high2 Ų240.7 Ų40.71%0.00923%0.228CC..  trans-87.987.1-170.1-171.8174.1169.900112.1S480 C510 N525 V706 C707 K730S480-E513 WeakPolarHBondContact CB-OE1 3.31Å; S480-E513 PolarHBondContact OG-OE1 2.95Å; C510-E513 HydrophobicContact CB-CB 3.84Å; C510-E513 VanDerWaalsContact SG-CB 3.51Å; C510-E513 PolarHBondContact SG-N 3.33Å; C510-E513 VanDerWaalsContact SG-N 3.38Å; E513-N525 HydrophobicContact CB-CB 4.07Å; E513-N525 HydrophobicContact CG-CB 3.7Å; E513-N525 PolarHBondContact OE1-ND2 3.36Å; E513-N525 PolarHBondContact OE1-OD1 2.91Å; E513-V706 PolarHBondContact OE2-N 3.1Å; E513-C707 HydrophobicContact CG-CB 4.39Å; E513-C707 PolarHBondContact OE2-N 3.07Å; E513-K730 WeakPolarHBondContact OE1-CE 3.39Å; E513-K730 IonicContact OE1-NZ 2.72Å; E513-K730 PolarHBondContact OE1-NZ 3.15Å
514T95.3Very high94Very high26 Ų2634.7 Ų34.716%0.1620%0.196CC..  trans-139.2150.2171.1-168.20000110.7A512 V520 G521 V523 T723A512-T514 PolarHBondContact O-N 3.38Å; A512-T514 VanDerWaalsContact O-N 3.15Å; T514-V520 HydrophobicContact CG2-CG2 4.09Å; T514-G521 PolarHBondContact OG1-N 3.46Å; T514-G521 VanDerWaalsContact OG1-N 3.07Å; T514-V523 PolarHBondContact OG1-O 3.38Å; T514-T723 HydrophobicContact CG2-CG2 4.01Å
515P92.5Very high94Very high41 Ų4133.6 Ų33.627%0.26619%0.188SC..  trans-64.2142.3176.1-21.834.3000112.8V523P515-V523 VanDerWaalsContact CD-O 3.28Å; P515-V523 WeakPolarHBondContact CD-O 3.35Å; P515-V523 HydrophobicContact CG-CB 3.82Å; P515-V523 HydrophobicContact CG-CG1 3.83Å
516E87.8Confident94Very high122 Ų12233.3 Ų33.357%0.5719%0.187SC*.SBendtrans-69.9139.7165.3-171.3-177.1167.100110.2Y724E516-Y724 HydrophobicContact CG-CE1 4.49Å
517G88.3Confident94Very high45 Ų4528.4 Ų28.446%0.46417%0.168SC..SBendtrans107.6-150.4173.600000114.9A519 V520G517-A519 PolarHBondContact O-N 3.07Å; G517-A519 VanDerWaalsContact O-N 3.08Å; G517-V520 WeakPolarHBondContact O-CB 3.45Å; G517-V520 WeakPolarHBondContact O-CG1 3.33Å; G517-V520 PolarHBondContact O-N 2.81Å; G517-V520 VanDerWaalsContact O-N 3.12Å
518H87.6Confident94.1Very high152 Ų15228.3 Ų28.370%0.70417%0.167SC*.THydrogen-bonded Turntrans-60.9-22.6-170.4-66.3-79.8000114.9R499R499-H518 PolarHBondContact NH1-O 3.12Å; R499-H518 PolarHBondContact NH2-O 3.1Å
519A90.1Very high94Very high17 Ų1728.7 Ų28.714%0.1417%0.169CC..THydrogen-bonded Turntrans-98.19.5-17800000113.7G517 G521 L522 V523G517-A519 PolarHBondContact O-N 3.07Å; G517-A519 VanDerWaalsContact O-N 3.08Å; A519-G521 PolarHBondContact O-N 2.99Å; A519-L522 PolarHBondContact O-N 2.89Å; A519-V523 HydrophobicContact CB-CG2 4.11Å; A519-V523 PolarHBondContact O-N 3.39Å
520V93.8Very high94Very high65 Ų6528.6 Ų28.639%0.39417%0.169SC..THydrogen-bonded Turntrans-52.6129.6177.866.10000110.8R499 T514 G517 L522R499-V520 WeakPolarHBondContact CG-O 2.88Å; R499-V520 PolarHBondContact NH1-O 3.34Å; T514-V520 HydrophobicContact CG2-CG2 4.09Å; G517-V520 WeakPolarHBondContact O-CB 3.45Å; G517-V520 WeakPolarHBondContact O-CG1 3.33Å; G517-V520 PolarHBondContact O-N 2.81Å; G517-V520 VanDerWaalsContact O-N 3.12Å; V520-L522 PolarHBondContact O-N 3.5Å
521G91.1Very high93.9Very high10 Ų1029.6 Ų29.610%0.10317%0.172CC..THydrogen-bonded Turntrans72.9-14.6-179.600000115.9R499 T514 A519 K524R499-G521 WeakPolarHBondContact O-CA 3.22Å; T514-G521 PolarHBondContact OG1-N 3.46Å; T514-G521 VanDerWaalsContact OG1-N 3.07Å; A519-G521 PolarHBondContact O-N 2.99Å; G521-K524 WeakPolarHBondContact O-CE 3.35Å
522L92.4Very high93.9Very high3 Ų327 Ų272%0.01616%0.155CC..THydrogen-bonded Turntrans-88.5-35.4176.9-61.2-178.2000112.3S487 I489 R499 A519 V520S487-L522 PolarHBondContact N-O 3.32Å; S487-L522 PolarHBondContact OG-O 2.81Å; I489-L522 HydrophobicContact CB-CD2 4.1Å; I489-L522 HydrophobicContact CD1-CD2 4.28Å; R499-L522 HydrophobicContact CG-CD2 4.03Å; R499-L522 HydrophobicContact CG-CG 4.25Å; A519-L522 PolarHBondContact O-N 2.89Å; V520-L522 PolarHBondContact O-N 3.5Å
523V94.8Very high93.9Very high12 Ų1226.7 Ų26.77%0.07315%0.153CC..EExtended strand (participates in β ladder)trans-99.3118.6171.9176.40000107.7R484 T514 P515 A519R484-V523 VanDerWaalsContact CD-CG1 3.5Å; R484-V523 HydrophobicContact CG-CG1 3.65Å; T514-V523 PolarHBondContact OG1-O 3.38Å; P515-V523 VanDerWaalsContact CD-O 3.28Å; P515-V523 WeakPolarHBondContact CD-O 3.35Å; P515-V523 HydrophobicContact CG-CB 3.82Å; P515-V523 HydrophobicContact CG-CG1 3.83Å; A519-V523 HydrophobicContact CB-CG2 4.11Å; A519-V523 PolarHBondContact O-N 3.39Å
524K95.6Very high93.7Very high18 Ų1828.2 Ų28.28%0.07816%0.162CC..EExtended strand (participates in β ladder)trans-121.9161.6-173.6-59.8172.3-168.5168.60109.7E198 V485 V509 G521E198-K524 IonicContact OE1-NZ 3.32Å; E198-K524 IonicContact OE2-NZ 3.36Å; E198-K524 PolarHBondContact OE2-NZ 2.75Å; V485-K524 HydrophobicContact CB-CB 4.41Å; V485-K524 PolarHBondContact N-O 2.82Å; V485-K524 PolarHBondContact O-N 2.88Å; V509-K524 HydrophobicContact CG1-CB 3.79Å; V509-K524 HydrophobicContact CG1-CD 4.34Å; V509-K524 HydrophobicContact CG1-CG 4.34Å; G521-K524 WeakPolarHBondContact O-CE 3.35Å
525N97Very high93.5Very high2 Ų228 Ų281%0.01117%0.165CC..EExtended strand (participates in β ladder)trans-128.6132.8179.4-90.7103.8000109.5S480 V509 C510 E513 K730S480-N525 PolarHBondContact O-ND2 2.69Å; S480-N525 PolarHBondContact OG-ND2 2.87Å; V509-N525 WeakPolarHBondContact CG1-O 3.3Å; C510-N525 PolarHBondContact N-O 2.88Å; E513-N525 HydrophobicContact CB-CB 4.07Å; E513-N525 HydrophobicContact CG-CB 3.7Å; E513-N525 PolarHBondContact OE1-ND2 3.36Å; E513-N525 PolarHBondContact OE1-OD1 2.91Å; N525-K730 PolarHBondContact OD1-NZ 2.87Å
526L97.2Very high93.3Very high4 Ų428 Ų282%0.02117%0.166CC..BIsolated β-bridgetrans-61145.5-179.6-62.5171.9000111.5Q42 L393 R483 V485 I532 I621Q42-L526 HydrophobicContact CG-CD1 4.31Å; L393-L526 HydrophobicContact CD1-CD2 4.39Å; R483-L526 HydrophobicContact CB-CB 4.34Å; R483-L526 HydrophobicContact CB-CD1 4.39Å; R483-L526 PolarHBondContact O-N 3.1Å; R483-L526 VanDerWaalsContact O-N 3.09Å; V485-L526 HydrophobicContact CG2-CD2 3.79Å; V485-L526 HydrophobicContact CG2-CG 4.05Å; L526-I532 HydrophobicContact CD1-CD1 3.95Å; L526-I532 HydrophobicContact CD2-CD1 4.32Å; L526-I621 HydrophobicContact CD2-CD1 3.48Å; L526-I621 VanDerWaalsContact CD2-CD1 3.48Å
527A97.4Very high93.3Very high0 Ų027 Ų270%016%0.161CC..BIsolated β-bridgetrans-68.4164170.100000111R483 G507 M508 M529 A530 L704R483-A527 VanDerWaalsContact CZ-O 3.28Å; R483-A527 PolarHBondContact NH1-O 2.83Å; R483-A527 PolarHBondContact NH2-O 3.17Å; G507-A527 WeakPolarHBondContact O-CB 3.36Å; M508-A527 PolarHBondContact O-N 3.32Å; A527-M529 PolarHBondContact O-N 3.41Å; A527-A530 HydrophobicContact CB-CB 4.25Å; A527-A530 PolarHBondContact O-N 3.47Å; A527-L704 CarbonylContact C-O 3.51Å; A527-L704 WeakPolarHBondContact CA-O 3.25Å
528L95.8Very high93.4Very high3 Ų326 Ų262%0.01615%0.147CC..THydrogen-bonded Turntrans-58.7-52-170-83-178.3000113.4F34 R483 M702 L704 V706 S709 L767F34-L528 HydrophobicContact CZ-CB 4.1Å; R483-L528 PolarHBondContact NH1-O 3.07Å; R483-L528 PolarHBondContact NH2-O 3.03Å; L528-M702 HydrophobicContact CB-SD 4.14Å; L528-M702 HydrophobicContact CD1-CE 3.97Å; L528-M702 HydrophobicContact CD1-SD 4.09Å; L528-M702 PolarHBondContact N-O 3Å; L528-L704 WeakPolarHBondContact CG-O 3.22Å; L528-L704 PolarHBondContact N-O 3.33Å; L528-V706 HydrophobicContact CD2-CG2 4.41Å; L528-S709 VanDerWaalsContact CD1-OG 3.26Å; L528-S709 WeakPolarHBondContact CD1-OG 3.25Å; L528-L767 HydrophobicContact CD2-CD2 4.09Å
529M95.9Very high93.6Very high9 Ų921.7 Ų21.74%0.04413%0.134CC..THydrogen-bonded Turntrans-93.25.7-178.3-65.4-171.584.400114.4I30 Y33 F34 A527 Y531 P624 I698 M702I30-M529 HydrophobicContact CG1-SD 4.34Å; Y33-M529 HydrophobicContact CD1-CE 3.8Å; Y33-M529 HydrophobicContact CD1-CG 4.32Å; Y33-M529 HydrophobicContact CD2-CE 3.96Å; Y33-M529 HydrophobicContact CE1-CB 4.37Å; Y33-M529 HydrophobicContact CE1-CE 4.24Å; Y33-M529 HydrophobicContact CE1-CG 4.18Å; Y33-M529 HydrophobicContact CE2-CE 4.37Å; Y33-M529 HydrophobicContact CG-CE 3.65Å; Y33-M529 PolarHBondContact OH-O 3.12Å; F34-M529 HydrophobicContact CE2-CG 4.44Å; F34-M529 HydrophobicContact CZ-CG 4.08Å; A527-M529 PolarHBondContact O-N 3.41Å; M529-Y531 PolarHBondContact O-N 2.87Å; M529-P624 HydrophobicContact CB-CG 4.33Å; M529-P624 HydrophobicContact CE-CG 3.49Å; M529-P624 VanDerWaalsContact CE-CG 3.49Å; M529-P624 WeakPolarHBondContact O-CD 2.98Å; M529-P624 HydrophobicContact SD-CG 4.47Å; M529-I698 HydrophobicContact CE-CD1 3.73Å; M529-I698 HydrophobicContact SD-CD1 4.18Å; M529-M702 HydrophobicContact CB-CB 4.44Å; M529-M702 HydrophobicContact CG-CB 3.97Å; M529-M702 HydrophobicContact CG-CG 3.87Å; M529-M702 HydrophobicContact CG-SD 3.72Å; M529-M702 HydrophobicContact SD-CB 3.99Å; M529-M702 HydrophobicContact SD-CG 3.54Å; M529-M702 VanDerWaalsContact SD-CG 3.54Å; M529-M702 HydrophobicContact SD-SD 3.92Å
530A96.4Very high93.7Very high3 Ų323.6 Ų23.63%0.02515%0.145CC..  trans-65.9126.4176.400000110.9R483 M508 A527 I621R483-A530 PolarHBondContact NH2-O 3.43Å; M508-A530 VanDerWaalsContact O-CB 3.26Å; M508-A530 WeakPolarHBondContact O-CB 3.39Å; A527-A530 HydrophobicContact CB-CB 4.25Å; A527-A530 PolarHBondContact O-N 3.47Å; A530-I621 HydrophobicContact CB-CD1 4.14Å; A530-I621 HydrophobicContact CB-CG1 4.25Å
531Y95.8Very high93.6Very high25 Ų2520.8 Ų20.810%0.09813%0.127CC..EExtended strand (participates in β ladder)trans-111.9153.4176.2-179.6-105000109.9M529 E600 I621 C622 Y664M529-Y531 PolarHBondContact O-N 2.87Å; Y531-E600 HydrophobicContact CE1-CG 4.14Å; Y531-E600 VanDerWaalsContact CE1-OE1 3.26Å; Y531-E600 WeakPolarHBondContact CE1-OE1 3.43Å; Y531-E600 VanDerWaalsContact CZ-OE1 3.32Å; Y531-E600 PolarHBondContact OH-OE1 2.62Å; Y531-I621 WeakPolarHBondContact O-CA 3.39Å; Y531-C622 PolarHBondContact N-O 3.4Å; Y531-C622 PolarHBondContact O-N 2.71Å; Y531-Y664 HydrophobicContact CD1-CD1 4.44Å; Y531-Y664 HydrophobicContact CD1-CE1 4.35Å; Y531-Y664 HydrophobicContact CG-CE1 4.25Å
532I96.4Very high93.6Very high1 Ų122.8 Ų22.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-123.9129178.7-58.8172.7000108.4Q42 L393 L395 L526 R620Q42-I532 HydrophobicContact CB-CB 4.23Å; Q42-I532 HydrophobicContact CB-CD1 4.22Å; Q42-I532 HydrophobicContact CB-CG1 4.42Å; Q42-I532 HydrophobicContact CG-CD1 4.2Å; L393-I532 HydrophobicContact CB-CD1 4.46Å; L393-I532 HydrophobicContact CD1-CD1 3.6Å; L393-I532 HydrophobicContact CD1-CG1 4.2Å; L395-I532 HydrophobicContact CD1-CB 3.91Å; L395-I532 HydrophobicContact CD1-CD1 4.06Å; L395-I532 HydrophobicContact CD1-CG2 3.56Å; L395-I532 HydrophobicContact CD2-CD1 3.9Å; L395-I532 HydrophobicContact CG-CD1 4.35Å; L395-I532 HydrophobicContact CG-CG2 4.3Å; L526-I532 HydrophobicContact CD1-CD1 3.95Å; L526-I532 HydrophobicContact CD2-CD1 4.32Å; I532-R620 CarbonylContact C-O 3.54Å; I532-R620 VanDerWaalsContact CA-O 3.24Å; I532-R620 WeakPolarHBondContact CA-O 3.37Å
533S95.3Very high93.6Very high1 Ų128.6 Ų28.61%0.00716%0.162CC..  trans-62.1138.4178.465.40000111.8E600 D617 G619 R620S533-E600 WeakPolarHBondContact CA-OE2 3.12Å; S533-D617 PolarHBondContact OG-O 2.91Å; S533-G619 PolarHBondContact O-N 3.09Å; S533-G619 PolarHBondContact OG-N 3.35Å; S533-G619 VanDerWaalsContact OG-N 3.16Å; S533-R620 PolarHBondContact N-O 3.02Å; S533-R620 PolarHBondContact OG-N 3.15Å
534V92.3Very high93.5Very high33 Ų3329 Ų2920%0.216%0.163CC..  trans-86.9-21.9168-66.80000112.1D45 E49 E600 A618D45-V534 HydrophobicContact CB-CG1 3.65Å; E49-V534 HydrophobicContact CB-CB 4.47Å; V534-E600 PolarHBondContact N-OE2 2.91Å; V534-A618 WeakPolarHBondContact O-CB 3.42Å
535G89.3Confident93.3Very high22 Ų2228.2 Ų28.223%0.22716%0.16CC..  trans89.3151.3176.500000113.2E600 T616G535-E600 PolarHBondContact N-OE2 3.2Å; G535-E600 VanDerWaalsContact N-OE2 3.12Å; G535-T616 WeakPolarHBondContact CA-O 3.11Å
536S88.1Confident93.1Very high41 Ų4133.2 Ų33.229%0.28718%0.183SC..  trans-139.3163.3-178.162.50000111.1T616S536-T616 PolarHBondContact N-O 3.19Å; S536-T616 PolarHBondContact O-OG1 3.4Å
537Q88.6Confident92.7Very high100 Ų10040.6 Ų40.647%0.46722%0.218SC..  trans-70.6135.2178.3-72.6-177.7-33.600110.7S539 P540Q537-S539 VanDerWaalsContact C-N 3.32Å; Q537-S539 PolarHBondContact O-N 3.11Å; Q537-P540 WeakPolarHBondContact O-CD 3.47Å
538P90.8Very high92.4Very high25 Ų2545.7 Ų45.716%0.16224%0.237CC..SBendtrans-78.4-12.1179.130.8-35.2000113.7I541 L542 V569 T616P538-I541 WeakPolarHBondContact O-CA 3.43Å; P538-I541 WeakPolarHBondContact O-CB 3.49Å; P538-I541 PolarHBondContact O-N 3.34Å; P538-L542 PolarHBondContact O-N 2.7Å; P538-V569 HydrophobicContact CB-CG1 3.77Å; P538-T616 HydrophobicContact CB-CG2 4.49Å
539S91.4Very high92Very high62 Ų6249.7 Ų49.743%0.43427%0.265SS..Hα-helixtrans-51.5-47-173.8-57.30000114.6Q537 I541 L542 E543Q537-S539 VanDerWaalsContact C-N 3.32Å; Q537-S539 PolarHBondContact O-N 3.11Å; S539-I541 PolarHBondContact O-N 3.21Å; S539-L542 PolarHBondContact O-N 2.85Å; S539-L542 VanDerWaalsContact O-N 3.12Å; S539-E543 PolarHBondContact O-N 2.84Å
540P91.8Very high91.9Very high57 Ų5750 Ų5037%0.3727%0.267SS..Hα-helixtrans-63.7-29.2178.5-21.534.5000113.3Q537 F544 I596Q537-P540 WeakPolarHBondContact O-CD 3.47Å; P540-F544 WeakPolarHBondContact O-CB 3.47Å; P540-F544 PolarHBondContact O-N 3.3Å; P540-F544 VanDerWaalsContact O-N 3.15Å; P540-I596 HydrophobicContact CB-CG2 3.89Å
541I91.3Very high91.6Very high6 Ų652.8 Ų52.83%0.03128%0.279CS..Hα-helixtrans-73.9-39.1177-55.9-180000110.1P538 S539 F544 L545 V601 I614 T616P538-I541 WeakPolarHBondContact O-CA 3.43Å; P538-I541 WeakPolarHBondContact O-CB 3.49Å; P538-I541 PolarHBondContact O-N 3.34Å; S539-I541 PolarHBondContact O-N 3.21Å; I541-F544 PolarHBondContact O-N 3.22Å; I541-L545 HydrophobicContact CG2-CD1 4.06Å; I541-L545 HydrophobicContact CG2-CG 4.32Å; I541-L545 WeakPolarHBondContact O-CB 3.49Å; I541-L545 VanDerWaalsContact O-CG 3.23Å; I541-L545 WeakPolarHBondContact O-CG 3.1Å; I541-L545 PolarHBondContact O-N 3.42Å; I541-V601 HydrophobicContact CD1-CG1 3.82Å; I541-V601 HydrophobicContact CD1-CG2 4.01Å; I541-I614 HydrophobicContact CD1-CG2 4.35Å; I541-I614 HydrophobicContact CG2-CD1 4.34Å; I541-I614 HydrophobicContact CG2-CG2 4.49Å; I541-T616 HydrophobicContact CD1-CG2 3.37Å
542L92.4Very high91.3Very high52 Ų5254 Ų5427%0.27229%0.287SS..Hα-helixtrans-63.7-45.3177.3-64.2174.4000111.2P538 S539 F544 L545 E546 V569 V574P538-L542 PolarHBondContact O-N 2.7Å; S539-L542 PolarHBondContact O-N 2.85Å; S539-L542 VanDerWaalsContact O-N 3.12Å; L542-F544 VanDerWaalsContact C-N 3.33Å; L542-F544 PolarHBondContact O-N 2.93Å; L542-L545 PolarHBondContact O-N 3.32Å; L542-E546 WeakPolarHBondContact O-CG 3.26Å; L542-E546 PolarHBondContact O-N 2.65Å; L542-V569 HydrophobicContact CD2-CB 4.08Å; L542-V569 HydrophobicContact CD2-CG1 4.23Å; L542-V569 HydrophobicContact CD2-CG2 3.89Å; L542-V574 HydrophobicContact CD2-CB 4.31Å; L542-V574 HydrophobicContact CD2-CG1 3.67Å
543E92.4Very high90.9Very high125 Ų12554.1 Ų54.158%0.58429%0.288SS*.Hα-helixtrans-57.3-47.4174.9-71.1174.8-17500111S539 L545 E546 E547S539-E543 PolarHBondContact O-N 2.84Å; E543-L545 PolarHBondContact O-N 2.81Å; E543-E546 PolarHBondContact O-N 2.88Å; E543-E547 WeakPolarHBondContact O-CG 3.5Å; E543-E547 PolarHBondContact O-N 3.41Å; E543-E547 VanDerWaalsContact O-N 3.09Å
544F91.7Very high90.4Very high19 Ų1959.2 Ų59.28%0.08331%0.312CS..Hα-helixtrans-61.4-40.9176.8178.6-93.6000113.3P540 I541 L542 E547 W548 T586 L587 L590 I596P540-F544 WeakPolarHBondContact O-CB 3.47Å; P540-F544 PolarHBondContact O-N 3.3Å; P540-F544 VanDerWaalsContact O-N 3.15Å; I541-F544 PolarHBondContact O-N 3.22Å; L542-F544 VanDerWaalsContact C-N 3.33Å; L542-F544 PolarHBondContact O-N 2.93Å; F544-E547 PolarHBondContact O-N 3.37Å; F544-W548 AromaticContact CD2-CD1 3.92Å; F544-W548 AromaticContact CE1-CD1 3.57Å; F544-W548 HydrophobicContact CE1-CG 4.17Å; F544-W548 AromaticContact CE2-CD1 3.34Å; F544-W548 AromaticContact CE2-NE1 3.21Å; F544-W548 AromaticContact CZ-CD1 3.12Å; F544-W548 HydrophobicContact CZ-CD2 4.47Å; F544-W548 AromaticContact CZ-CE2 3.99Å; F544-W548 AromaticContact CZ-CG 3.99Å; F544-W548 HydrophobicContact CZ-CG 3.99Å; F544-W548 AromaticContact CZ-NE1 3.1Å; F544-W548 PolarHBondContact O-N 3.36Å; F544-T586 HydrophobicContact CZ-CG2 4.07Å; F544-L587 HydrophobicContact CD1-CD2 3.84Å; F544-L587 HydrophobicContact CE1-CD2 3.54Å; F544-L587 HydrophobicContact CE1-CG 4.39Å; F544-L590 HydrophobicContact CD2-CD1 4.24Å; F544-L590 HydrophobicContact CE1-CD1 3.76Å; F544-L590 HydrophobicContact CE2-CD1 3.38Å; F544-L590 HydrophobicContact CZ-CD1 3.09Å; F544-I596 HydrophobicContact CD2-CD1 4.1Å
545L92.3Very high90Very high2 Ų265 Ų651%0.0134%0.336CS..Hα-helixtrans-66.5-39.8178.5-72.1171.6000111.7I541 L542 E543 E547 W548 M550 I567 V569 L583 I614I541-L545 HydrophobicContact CG2-CD1 4.06Å; I541-L545 HydrophobicContact CG2-CG 4.32Å; I541-L545 WeakPolarHBondContact O-CB 3.49Å; I541-L545 VanDerWaalsContact O-CG 3.23Å; I541-L545 WeakPolarHBondContact O-CG 3.1Å; I541-L545 PolarHBondContact O-N 3.42Å; L542-L545 PolarHBondContact O-N 3.32Å; E543-L545 PolarHBondContact O-N 2.81Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-W548 PolarHBondContact O-N 3.28Å; L545-M550 HydrophobicContact CB-CE 3.81Å; L545-M550 HydrophobicContact CB-SD 3.86Å; L545-M550 HydrophobicContact CD1-SD 4.49Å; L545-M550 WeakPolarHBondContact O-CB 3.17Å; L545-M550 PolarHBondContact O-N 3.1Å; L545-I567 HydrophobicContact CD1-CG2 4.13Å; L545-V569 HydrophobicContact CD1-CG2 3.82Å; L545-L583 HydrophobicContact CD2-CD1 4.18Å; L545-L583 HydrophobicContact CD2-CD2 4.35Å; L545-I614 HydrophobicContact CD1-CD1 4.21Å
546E91.5Very high89.7Confident108 Ų10864.8 Ų64.851%0.50533%0.33SS..Hα-helixtrans-63.7-38.7176.6-74.2-178176.800111.6L542 E543 W548 M550L542-E546 WeakPolarHBondContact O-CG 3.26Å; L542-E546 PolarHBondContact O-N 2.65Å; E543-E546 PolarHBondContact O-N 2.88Å; E546-W548 VanDerWaalsContact C-N 3.31Å; E546-W548 PolarHBondContact O-N 3.28Å; E546-M550 HydrophobicContact CB-CE 4.32Å; E546-M550 HydrophobicContact CG-CE 3.47Å; E546-M550 VanDerWaalsContact CG-CE 3.47Å
547E90.8Very high89.3Confident159 Ų15966.3 Ų66.374%0.74334%0.341SS*.Hα-helixtrans-64.4-34.4174-71.3-179.6178.400112.7E543 F544 L545 S549E543-E547 WeakPolarHBondContact O-CG 3.5Å; E543-E547 PolarHBondContact O-N 3.41Å; E543-E547 VanDerWaalsContact O-N 3.09Å; F544-E547 PolarHBondContact O-N 3.37Å; L545-E547 VanDerWaalsContact C-N 3.33Å; E547-S549 VanDerWaalsContact C-N 3.27Å; E547-S549 PolarHBondContact O-N 2.79Å; E547-S549 VanDerWaalsContact O-N 3.12Å
548W89.1Confident88.7Confident106 Ų10662.6 Ų62.640%0.40233%0.325SS..THydrogen-bonded Turntrans-86.344.7-177.8-88.889.7000114.6F544 L545 E546 M550 H577 L583 T586F544-W548 AromaticContact CD2-CD1 3.92Å; F544-W548 AromaticContact CE1-CD1 3.57Å; F544-W548 HydrophobicContact CE1-CG 4.17Å; F544-W548 AromaticContact CE2-CD1 3.34Å; F544-W548 AromaticContact CE2-NE1 3.21Å; F544-W548 AromaticContact CZ-CD1 3.12Å; F544-W548 HydrophobicContact CZ-CD2 4.47Å; F544-W548 AromaticContact CZ-CE2 3.99Å; F544-W548 AromaticContact CZ-CG 3.99Å; F544-W548 HydrophobicContact CZ-CG 3.99Å; F544-W548 AromaticContact CZ-NE1 3.1Å; F544-W548 PolarHBondContact O-N 3.36Å; L545-W548 PolarHBondContact O-N 3.28Å; E546-W548 VanDerWaalsContact C-N 3.31Å; E546-W548 PolarHBondContact O-N 3.28Å; W548-M550 PolarHBondContact O-N 2.91Å; W548-M550 VanDerWaalsContact O-N 3.07Å; W548-H577 PolarHBondContact O-CD2 3.28Å; W548-H577 PolarHBondContact O-NE2 3.09Å; W548-L583 HydrophobicContact CB-CD1 4.29Å; W548-T586 HydrophobicContact CH2-CG2 4.28Å; W548-T586 HydrophobicContact CZ2-CG2 3.82Å
549S89.3Confident88Confident87 Ų8765.3 Ų65.361%0.60835%0.35SS*.THydrogen-bonded Turntrans55.526.7173.667.80000115.3E547 H577E547-S549 VanDerWaalsContact C-N 3.27Å; E547-S549 PolarHBondContact O-N 2.79Å; E547-S549 VanDerWaalsContact O-N 3.12Å; S549-H577 PolarHBondContact OG-NE2 3.21Å
550M92.1Very high87.4Confident17 Ų1764.1 Ų64.18%0.08434%0.344CS..PPolyproline II helixtrans-68.8129.8167.3178.8-176.661.500109.3L545 E546 W548 I567 V574L545-M550 HydrophobicContact CB-CE 3.81Å; L545-M550 HydrophobicContact CB-SD 3.86Å; L545-M550 HydrophobicContact CD1-SD 4.49Å; L545-M550 WeakPolarHBondContact O-CB 3.17Å; L545-M550 PolarHBondContact O-N 3.1Å; E546-M550 HydrophobicContact CB-CE 4.32Å; E546-M550 HydrophobicContact CG-CE 3.47Å; E546-M550 VanDerWaalsContact CG-CE 3.47Å; W548-M550 PolarHBondContact O-N 2.91Å; W548-M550 VanDerWaalsContact O-N 3.07Å; M550-I567 HydrophobicContact CG-CD1 4.38Å; M550-I567 HydrophobicContact SD-CD1 4.48Å; M550-V574 HydrophobicContact SD-CB 4.42Å; M550-V574 HydrophobicContact SD-CG2 3.8Å
551E90.8Very high87.1Confident61 Ų6161.4 Ų61.429%0.28533%0.326SS..EExtended strand (participates in β ladder)trans-89128.3174.6-61176.8179.400109.5I556 G575 I576 K578E551-I556 HydrophobicContact CB-CG2 3.48Å; E551-I556 VanDerWaalsContact CB-CG2 3.48Å; E551-I556 HydrophobicContact CG-CG2 4.44Å; E551-I556 WeakPolarHBondContact OE2-CG2 3.47Å; E551-G575 WeakPolarHBondContact O-CA 3.36Å; E551-I576 HydrophobicContact CB-CG1 4.01Å; E551-I576 PolarHBondContact N-O 3.48Å; E551-I576 PolarHBondContact O-N 3.29Å; E551-K578 WeakPolarHBondContact OE1-CE 3.43Å; E551-K578 IonicContact OE1-NZ 4Å; E551-K578 PolarHBondContact OE1-NZ 2.85Å; E551-K578 IonicContact OE2-NZ 3.76Å
552N90.5Very high86.7Confident50 Ų5063.1 Ų63.127%0.26734%0.341SS..EExtended strand (participates in β ladder)trans-72.3146-179.8-92.4-32000112E554 E555 I556N552-E554 PolarHBondContact O-N 2.97Å; N552-E554 VanDerWaalsContact O-N 3.09Å; N552-E555 HydrophobicContact CB-CG 4.26Å; N552-E555 PolarHBondContact O-N 2.76Å; N552-I556 WeakPolarHBondContact O-CG2 3.23Å; N552-I556 PolarHBondContact O-N 2.72Å
553L86.5Confident86.4Confident4 Ų466.5 Ų66.52%0.02136%0.36CS..THydrogen-bonded Turntrans-60.2-25.9-175-13177.2000115.2Y363 I556 W573Y363-L553 VanDerWaalsContact CB-CD2 3.41Å; Y363-L553 HydrophobicContact CD1-CD2 4.36Å; Y363-L553 HydrophobicContact CD2-CD2 3.66Å; Y363-L553 HydrophobicContact CD2-CG 4.12Å; Y363-L553 HydrophobicContact CE2-CD2 4.48Å; Y363-L553 HydrophobicContact CE2-CG 4.48Å; Y363-L553 HydrophobicContact CG-CD2 3.57Å; Y363-L553 HydrophobicContact CG-CG 4.23Å; L553-I556 HydrophobicContact CD1-CD1 4.22Å; L553-I556 HydrophobicContact CG-CD1 4.47Å; L553-W573 HydrophobicContact CD1-CD2 3.65Å; L553-W573 HydrophobicContact CD1-CE3 4.24Å; L553-W573 HydrophobicContact CD1-CG 4.01Å; L553-W573 HydrophobicContact CD1-CH2 4.23Å; L553-W573 HydrophobicContact CD1-CZ2 3.64Å; L553-W573 HydrophobicContact CD2-CD2 3.91Å; L553-W573 HydrophobicContact CD2-CE3 3.77Å; L553-W573 HydrophobicContact CD2-CG 4.39Å; L553-W573 HydrophobicContact CD2-CZ3 4.12Å; L553-W573 HydrophobicContact CG-CD2 4.41Å
554E85.1Confident86.3Confident107 Ų10760.7 Ų60.750%0.533%0.333SS..THydrogen-bonded Turntrans-83.7-16.1-179.5-65.9178.4179.100112.8K360 N552K360-E554 WeakPolarHBondContact CE-OE1 3.4Å; K360-E554 HydrophobicContact CG-CG 4.37Å; K360-E554 IonicContact NZ-OE1 2.65Å; N552-E554 PolarHBondContact O-N 2.97Å; N552-E554 VanDerWaalsContact O-N 3.09Å
555E84.2Confident86.4Confident154 Ų15460.2 Ų60.272%0.7233%0.332SS*.THydrogen-bonded Turntrans-101.5-13.4-172.8-62.9177.3-177.600112.9N552N552-E555 HydrophobicContact CB-CG 4.26Å; N552-E555 PolarHBondContact O-N 2.76Å
556I82.9Confident86.5Confident18 Ų1860.9 Ų60.99%0.09233%0.334CS..SBendtrans-92.4149.8-172.660.2177.5000113.2E551 N552 L553 I561 I576E551-I556 HydrophobicContact CB-CG2 3.48Å; E551-I556 VanDerWaalsContact CB-CG2 3.48Å; E551-I556 HydrophobicContact CG-CG2 4.44Å; E551-I556 WeakPolarHBondContact OE2-CG2 3.47Å; N552-I556 WeakPolarHBondContact O-CG2 3.23Å; N552-I556 PolarHBondContact O-N 2.72Å; L553-I556 HydrophobicContact CD1-CD1 4.22Å; L553-I556 HydrophobicContact CG-CD1 4.47Å; I556-I561 HydrophobicContact CD1-CD1 3.67Å; I556-I561 HydrophobicContact CD1-CG1 3.69Å; I556-I561 HydrophobicContact CG1-CD1 4.39Å; I556-I576 HydrophobicContact CB-CD1 4.33Å; I556-I576 HydrophobicContact CD1-CD1 3.76Å; I556-I576 HydrophobicContact CD1-CG1 3.96Å; I556-I576 HydrophobicContact CD1-CG2 4.17Å; I556-I576 HydrophobicContact CG2-CD1 3.92Å; I556-I576 HydrophobicContact CG2-CG1 4.11Å
557S79.8Confident86.7Confident73 Ų7355.8 Ų55.851%0.5131%0.31SS..  trans-82.3135165.365.10000110A559 A560S557-A559 PolarHBondContact O-N 2.98Å; S557-A559 VanDerWaalsContact O-N 3.09Å; S557-A560 WeakPolarHBondContact O-CB 3.47Å; S557-A560 PolarHBondContact O-N 2.78Å
558P76.9Confident87Confident22 Ų2248.7 Ų48.714%0.14328%0.277CS..G310 helixtrans-55.3-30.2-179.4-28.534.5000114.5E286 A560 I561E286-P558 HydrophobicContact CB-CB 3.87Å; E286-P558 HydrophobicContact CB-CG 4.08Å; P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 2.93Å; P558-I561 VanDerWaalsContact O-CB 3.29Å; P558-I561 WeakPolarHBondContact O-CB 3.47Å; P558-I561 PolarHBondContact O-N 2.94Å; P558-I561 VanDerWaalsContact O-N 3.14Å
559A75.8Confident87.2Confident83 Ų8343.9 Ų43.969%0.68626%0.26SS*.G310 helixtrans-64.2-27.917800000113.5S557 I561S557-A559 PolarHBondContact O-N 2.98Å; S557-A559 VanDerWaalsContact O-N 3.09Å; A559-I561 VanDerWaalsContact C-N 3.28Å; A559-I561 PolarHBondContact O-N 3.4Å
560A78.1Confident87.4Confident36 Ų3640.3 Ų40.330%0.29823%0.234SC..G310 helixtrans-76.3-15.2177.200000113.1S557 P558 A562 A564S557-A560 WeakPolarHBondContact O-CB 3.47Å; S557-A560 PolarHBondContact O-N 2.78Å; P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 2.93Å; A560-A562 VanDerWaalsContact C-N 3.32Å; A560-A562 PolarHBondContact O-N 3.04Å; A560-A564 WeakPolarHBondContact O-CB 3.43Å; A560-A564 PolarHBondContact O-N 2.86Å
561I85Confident87.5Confident0 Ų039.7 Ų39.70%023%0.232CC..G310 helixtrans-73.1-25-176-60.4176.8000112.3Y290 Y363 I556 P558 A559 K566 W573 I576Y290-I561 HydrophobicContact CD1-CB 4.29Å; Y290-I561 HydrophobicContact CD1-CG2 3.89Å; Y290-I561 HydrophobicContact CD2-CG2 4.13Å; Y290-I561 HydrophobicContact CE1-CG2 4.15Å; Y290-I561 HydrophobicContact CE2-CG2 4.37Å; Y290-I561 HydrophobicContact CG-CB 4.39Å; Y290-I561 HydrophobicContact CG-CG2 3.88Å; Y363-I561 HydrophobicContact CE1-CD1 3.87Å; I556-I561 HydrophobicContact CD1-CD1 3.67Å; I556-I561 HydrophobicContact CD1-CG1 3.69Å; I556-I561 HydrophobicContact CG1-CD1 4.39Å; P558-I561 VanDerWaalsContact O-CB 3.29Å; P558-I561 WeakPolarHBondContact O-CB 3.47Å; P558-I561 PolarHBondContact O-N 2.94Å; P558-I561 VanDerWaalsContact O-N 3.14Å; A559-I561 VanDerWaalsContact C-N 3.28Å; A559-I561 PolarHBondContact O-N 3.4Å; I561-K566 PolarHBondContact O-NZ 3.02Å; I561-K566 VanDerWaalsContact O-NZ 3.07Å; I561-W573 HydrophobicContact CD1-CH2 4.07Å; I561-W573 HydrophobicContact CD1-CZ2 4.37Å; I561-W573 HydrophobicContact CG2-CH2 4.18Å; I561-W573 HydrophobicContact CG2-CZ2 4.09Å; I561-I576 HydrophobicContact CG1-CD1 4.37Å
562A83.8Confident87.6Confident42 Ų4238 Ų3835%0.34723%0.226SC..THydrogen-bonded Turntrans-62.4-44.4-17700000111.8A560A560-A562 VanDerWaalsContact C-N 3.32Å; A560-A562 PolarHBondContact O-N 3.04Å
563D86.3Confident87.8Confident124 Ų12435.9 Ų35.966%0.66322%0.215SC*.THydrogen-bonded Turntrans-87.1-32.2-178.4-160.335000112.8R610D563-R610 PolarHBondContact O-NH1 3.45Å; D563-R610 VanDerWaalsContact O-NH1 3.08Å; D563-R610 IonicContact OD1-CZ 2.79Å; D563-R610 IonicContact OD1-NH1 3.79Å; D563-R610 PolarHBondContact OD1-NH1 3.26Å
564A89.6Confident88.2Confident3 Ų337 Ų373%0.02522%0.221CC..SBendtrans-73.9151.5-177.800000114.2A560 K566 I576A560-A564 WeakPolarHBondContact O-CB 3.43Å; A560-A564 PolarHBondContact O-N 2.86Å; A564-K566 PolarHBondContact O-NZ 2.84Å; A564-I576 HydrophobicContact CB-CB 4Å; A564-I576 HydrophobicContact CB-CD1 3.77Å; A564-I576 HydrophobicContact CB-CG1 4.3Å
565T93.9Very high88.5Confident9 Ų931.9 Ų31.96%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-82.5134.3177.4-60.40000110.3I576 H577 P580 R610 I612T565-I576 CarbonylContact O-C 3.53Å; T565-I576 VanDerWaalsContact O-CA 3.26Å; T565-I576 WeakPolarHBondContact O-CA 3.4Å; T565-H577 WeakPolarHBondContact CB-O 3.42Å; T565-H577 PolarHBondContact N-O 2.98Å; T565-H577 PolarHBondContact O-N 3.28Å; T565-P580 HydrophobicContact CG2-CB 3.97Å; T565-P580 WeakPolarHBondContact OG1-CG 3.32Å; T565-R610 WeakPolarHBondContact CA-O 3.43Å; T565-R610 WeakPolarHBondContact CG2-O 3.13Å; T565-I612 HydrophobicContact CG2-CB 4.47Å; T565-I612 HydrophobicContact CG2-CD1 3.99Å; T565-I612 HydrophobicContact CG2-CG1 3.83Å
566K94.6Very high89Confident16 Ų1624.6 Ų24.67%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-86.4132.1-179.9-64.2150.2-166.262.20109.8I561 A564 F568 W573 I576 R610 E611 I612I561-K566 PolarHBondContact O-NZ 3.02Å; I561-K566 VanDerWaalsContact O-NZ 3.07Å; A564-K566 PolarHBondContact O-NZ 2.84Å; K566-F568 HydrophobicContact CB-CD2 4.48Å; K566-F568 HydrophobicContact CB-CE2 3.78Å; K566-F568 HydrophobicContact CB-CZ 4.48Å; K566-W573 HydrophobicContact CG-CZ2 3.96Å; K566-I576 HydrophobicContact CG-CG2 4.43Å; K566-R610 PolarHBondContact N-O 2.86Å; K566-R610 VanDerWaalsContact N-O 3.1Å; K566-E611 WeakPolarHBondContact O-CA 3.16Å; K566-I612 PolarHBondContact O-N 3.03Å
567I95.9Very high89.5Confident0 Ų024.4 Ų24.40%016%0.162CC..EExtended strand (participates in β ladder)trans-108.1125.7179.7-59175.1000109.8L545 M550 V574 G575 H577 L583 I612L545-I567 HydrophobicContact CD1-CG2 4.13Å; M550-I567 HydrophobicContact CG-CD1 4.38Å; M550-I567 HydrophobicContact SD-CD1 4.48Å; I567-V574 HydrophobicContact CB-CG2 4.16Å; I567-V574 HydrophobicContact CG2-CG2 3.83Å; I567-V574 WeakPolarHBondContact O-CG2 3.45Å; I567-V574 PolarHBondContact O-N 3.26Å; I567-G575 PolarHBondContact N-O 2.77Å; I567-H577 HydrophobicContact CD1-CB 3.58Å; I567-H577 HydrophobicContact CG1-CB 4.38Å; I567-L583 HydrophobicContact CD1-CD2 3.67Å; I567-I612 CarbonylContact C-O 3.55Å; I567-I612 WeakPolarHBondContact CA-O 3.5Å; I567-I612 HydrophobicContact CG1-CB 4.35Å
568F96.1Very high90Very high10 Ų1027.9 Ų27.94%0.04417%0.168CC..EExtended strand (participates in β ladder)trans-115.1135.8175.8-64.4-97.2000111F364 Y367 K566 C572 W573 E611 I612 R613 I614F364-F568 HydrophobicContact CE2-CE1 4.21Å; Y367-F568 HydrophobicContact CD1-CE1 4.26Å; Y367-F568 HydrophobicContact CD1-CZ 4.15Å; Y367-F568 HydrophobicContact CD2-CZ 4.31Å; Y367-F568 HydrophobicContact CE1-CE1 4.05Å; Y367-F568 AromaticContact CE1-CZ 3.81Å; Y367-F568 HydrophobicContact CE1-CZ 3.81Å; Y367-F568 AromaticContact CE2-CZ 3.97Å; Y367-F568 HydrophobicContact CE2-CZ 3.97Å; Y367-F568 HydrophobicContact CG-CZ 4.39Å; Y367-F568 AromaticContact CZ-CZ 3.71Å; K566-F568 HydrophobicContact CB-CD2 4.48Å; K566-F568 HydrophobicContact CB-CE2 3.78Å; K566-F568 HydrophobicContact CB-CZ 4.48Å; F568-C572 CarbonylContact C-O 3.49Å; F568-C572 WeakPolarHBondContact CA-O 3.48Å; F568-W573 HydrophobicContact CD1-CB 3.88Å; F568-W573 HydrophobicContact CD1-CG 4.5Å; F568-W573 HydrophobicContact CE1-CB 3.59Å; F568-W573 HydrophobicContact CE1-CG 4.02Å; F568-W573 HydrophobicContact CZ-CB 4.24Å; F568-W573 HydrophobicContact CZ-CG 4.18Å; F568-E611 HydrophobicContact CE2-CG 4.33Å; F568-I612 PolarHBondContact N-O 3.1Å; F568-R613 HydrophobicContact CB-CG 4.19Å; F568-R613 HydrophobicContact CD2-CG 4.26Å; F568-I614 PolarHBondContact O-N 2.94Å
569V94.9Very high90.8Very high6 Ų629.7 Ų29.74%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-123.2120.2171.9-177.50000108.5P538 L542 L545 G571 C572 V574 I614P538-V569 HydrophobicContact CB-CG1 3.77Å; L542-V569 HydrophobicContact CD2-CB 4.08Å; L542-V569 HydrophobicContact CD2-CG1 4.23Å; L542-V569 HydrophobicContact CD2-CG2 3.89Å; L545-V569 HydrophobicContact CD1-CG2 3.82Å; V569-G571 PolarHBondContact O-N 2.97Å; V569-G571 VanDerWaalsContact O-N 3.1Å; V569-C572 PolarHBondContact N-O 3.19Å; V569-C572 WeakPolarHBondContact O-CB 3.39Å; V569-C572 PolarHBondContact O-N 2.94Å; V569-V574 HydrophobicContact CB-CG1 4.11Å; V569-V574 HydrophobicContact CG2-CG1 4.17Å; V569-V574 HydrophobicContact CG2-CG2 3.94Å; V569-I614 CarbonylContact C-O 3.54Å; V569-I614 WeakPolarHBondContact CA-O 3.48Å; V569-I614 HydrophobicContact CG2-CB 4.34Å
570N93.8Very high91.7Very high12 Ų1226.5 Ų26.56%0.06415%0.149CC..THydrogen-bonded Turntrans49.734.5-173.1-65.6-18.1000113.7N203 E226 C572 I614 Y615 T616N203-N570 WeakPolarHBondContact CB-O 3.44Å; E226-N570 WeakPolarHBondContact OE1-CB 3.31Å; E226-N570 PolarHBondContact OE1-ND2 2.88Å; E226-N570 PolarHBondContact OE2-ND2 3.47Å; E226-N570 VanDerWaalsContact OE2-ND2 3.16Å; N570-C572 VanDerWaalsContact C-N 3.26Å; N570-C572 PolarHBondContact O-N 2.99Å; N570-I614 PolarHBondContact N-O 3.05Å; N570-Y615 WeakPolarHBondContact OD1-CA 3.48Å; N570-T616 PolarHBondContact ND2-OG1 3.38Å; N570-T616 PolarHBondContact OD1-N 3.02Å; N570-T616 PolarHBondContact OD1-OG1 3.12Å
571G92.3Very high92.4Very high4 Ų430.1 Ų30.14%0.04116%0.159CC..THydrogen-bonded Turntrans79.6-4-178.500000115.3N203 F364 V569N203-G571 VanDerWaalsContact O-CA 3.25Å; N203-G571 WeakPolarHBondContact O-CA 3.37Å; F364-G571 WeakPolarHBondContact CE2-O 3.45Å; V569-G571 PolarHBondContact O-N 2.97Å; V569-G571 VanDerWaalsContact O-N 3.1Å
572C94.4Very high92.9Very high25 Ų2535.9 Ų35.917%0.16919%0.187CC..EExtended strand (participates in β ladder)trans-80.7132.3169.5-169.40000109.9F568 V569 N570 V574F568-C572 CarbonylContact C-O 3.49Å; F568-C572 WeakPolarHBondContact CA-O 3.48Å; V569-C572 PolarHBondContact N-O 3.19Å; V569-C572 WeakPolarHBondContact O-CB 3.39Å; V569-C572 PolarHBondContact O-N 2.94Å; N570-C572 VanDerWaalsContact C-N 3.26Å; N570-C572 PolarHBondContact O-N 2.99Å; C572-V574 PolarHBondContact O-N 3.01Å
573W94.8Very high93.3Very high6 Ų634.1 Ų34.12%0.02317%0.171CC..EExtended strand (participates in β ladder)trans-79.7107.4173.7-173.913000109.2Y290 Y363 F364 L553 I561 K566 F568 G575 I576Y290-W573 HydrophobicContact CE1-CH2 4.24Å; Y363-W573 AromaticContact CD1-CH2 3.97Å; Y363-W573 HydrophobicContact CD1-CH2 3.97Å; Y363-W573 AromaticContact CD1-CZ3 3.77Å; Y363-W573 HydrophobicContact CD1-CZ3 3.77Å; Y363-W573 HydrophobicContact CG-CZ3 4.06Å; F364-W573 HydrophobicContact CD2-CB 4.28Å; L553-W573 HydrophobicContact CD1-CD2 3.65Å; L553-W573 HydrophobicContact CD1-CE3 4.24Å; L553-W573 HydrophobicContact CD1-CG 4.01Å; L553-W573 HydrophobicContact CD1-CH2 4.23Å; L553-W573 HydrophobicContact CD1-CZ2 3.64Å; L553-W573 HydrophobicContact CD2-CD2 3.91Å; L553-W573 HydrophobicContact CD2-CE3 3.77Å; L553-W573 HydrophobicContact CD2-CG 4.39Å; L553-W573 HydrophobicContact CD2-CZ3 4.12Å; L553-W573 HydrophobicContact CG-CD2 4.41Å; I561-W573 HydrophobicContact CD1-CH2 4.07Å; I561-W573 HydrophobicContact CD1-CZ2 4.37Å; I561-W573 HydrophobicContact CG2-CH2 4.18Å; I561-W573 HydrophobicContact CG2-CZ2 4.09Å; K566-W573 HydrophobicContact CG-CZ2 3.96Å; F568-W573 HydrophobicContact CD1-CB 3.88Å; F568-W573 HydrophobicContact CD1-CG 4.5Å; F568-W573 HydrophobicContact CE1-CB 3.59Å; F568-W573 HydrophobicContact CE1-CG 4.02Å; F568-W573 HydrophobicContact CZ-CB 4.24Å; F568-W573 HydrophobicContact CZ-CG 4.18Å; W573-G575 PolarHBondContact NE1-O 3.34Å; W573-I576 HydrophobicContact CZ2-CG2 4.07Å
574V93.3Very high93.7Very high27 Ų2728.3 Ų28.316%0.16414%0.14CC..EExtended strand (participates in β ladder)trans-91.9-39.2-172.1-650000112.3L542 M550 I567 V569 C572L542-V574 HydrophobicContact CD2-CB 4.31Å; L542-V574 HydrophobicContact CD2-CG1 3.67Å; M550-V574 HydrophobicContact SD-CB 4.42Å; M550-V574 HydrophobicContact SD-CG2 3.8Å; I567-V574 HydrophobicContact CB-CG2 4.16Å; I567-V574 HydrophobicContact CG2-CG2 3.83Å; I567-V574 WeakPolarHBondContact O-CG2 3.45Å; I567-V574 PolarHBondContact O-N 3.26Å; V569-V574 HydrophobicContact CB-CG1 4.11Å; V569-V574 HydrophobicContact CG2-CG1 4.17Å; V569-V574 HydrophobicContact CG2-CG2 3.94Å; C572-V574 PolarHBondContact O-N 3.01Å
575G92.7Very high93.8Very high0 Ų032.3 Ų32.30%016%0.161CC..EExtended strand (participates in β ladder)trans-174.1-167.6-176.200000113.4E551 I567 W573E551-G575 WeakPolarHBondContact O-CA 3.36Å; I567-G575 PolarHBondContact N-O 2.77Å; W573-G575 PolarHBondContact NE1-O 3.34Å
576I93.6Very high93.8Very high1 Ų133.5 Ų33.51%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-127.2156.6174.862.8168000111.1E551 I556 I561 A564 T565 K566 W573E551-I576 HydrophobicContact CB-CG1 4.01Å; E551-I576 PolarHBondContact N-O 3.48Å; E551-I576 PolarHBondContact O-N 3.29Å; I556-I576 HydrophobicContact CB-CD1 4.33Å; I556-I576 HydrophobicContact CD1-CD1 3.76Å; I556-I576 HydrophobicContact CD1-CG1 3.96Å; I556-I576 HydrophobicContact CD1-CG2 4.17Å; I556-I576 HydrophobicContact CG2-CD1 3.92Å; I556-I576 HydrophobicContact CG2-CG1 4.11Å; I561-I576 HydrophobicContact CG1-CD1 4.37Å; A564-I576 HydrophobicContact CB-CB 4Å; A564-I576 HydrophobicContact CB-CD1 3.77Å; A564-I576 HydrophobicContact CB-CG1 4.3Å; T565-I576 CarbonylContact O-C 3.53Å; T565-I576 VanDerWaalsContact O-CA 3.26Å; T565-I576 WeakPolarHBondContact O-CA 3.4Å; K566-I576 HydrophobicContact CG-CG2 4.43Å; W573-I576 HydrophobicContact CZ2-CG2 4.07Å
577H94Very high93.6Very high13 Ų1332.7 Ų32.76%0.0617%0.165CC..EExtended strand (participates in β ladder)trans-142.2142.7176.5-166.8-92.2000111.4W548 S549 T565 I567 D579 L583W548-H577 PolarHBondContact O-CD2 3.28Å; W548-H577 PolarHBondContact O-NE2 3.09Å; S549-H577 PolarHBondContact OG-NE2 3.21Å; T565-H577 WeakPolarHBondContact CB-O 3.42Å; T565-H577 PolarHBondContact N-O 2.98Å; T565-H577 PolarHBondContact O-N 3.28Å; I567-H577 HydrophobicContact CD1-CB 3.58Å; I567-H577 HydrophobicContact CG1-CB 4.38Å; H577-D579 PolarHBondContact CE1-O 3.21Å; H577-D579 PolarHBondContact ND1-N 2.83Å; H577-D579 VanDerWaalsContact ND1-N 3.12Å; H577-D579 PolarHBondContact ND1-O 3.25Å; H577-L583 HydrophobicContact CB-CD2 4.32Å
578K91Very high93.4Very high147 Ų14736 Ų3664%0.63918%0.177SC*.SBendtrans-87.3-33.6-175.3-67.1174.4-172.9149.60113.2E551 P580E551-K578 WeakPolarHBondContact OE1-CE 3.43Å; E551-K578 IonicContact OE1-NZ 4Å; E551-K578 PolarHBondContact OE1-NZ 2.85Å; E551-K578 IonicContact OE2-NZ 3.76Å; K578-P580 WeakPolarHBondContact O-CD 3.36Å
579D93.8Very high93.1Very high60 Ų6041.9 Ų41.932%0.32120%0.203SC..  trans-113.279.1178.3-171.8-4.1000112.4H577 E581 Q582H577-D579 PolarHBondContact CE1-O 3.21Å; H577-D579 PolarHBondContact ND1-N 2.83Å; H577-D579 VanDerWaalsContact ND1-N 3.12Å; H577-D579 PolarHBondContact ND1-O 3.25Å; D579-E581 PolarHBondContact O-N 2.86Å; D579-E581 PolarHBondContact OD1-N 2.82Å; D579-Q582 PolarHBondContact OD1-N 2.82Å; D579-Q582 WeakPolarHBondContact OD2-CG 3.44Å; D579-Q582 PolarHBondContact OD2-NE2 3.28Å; D579-Q582 PolarHBondContact OD2-OE1 2.94Å
580P94Very high92.9Very high15 Ų1542.6 Ų42.610%0.09721%0.206CC..Hα-helixtrans-67.3-19.7-176.829.4-38.9000114.2T565 K578 M584 I612T565-P580 HydrophobicContact CG2-CB 3.97Å; T565-P580 WeakPolarHBondContact OG1-CG 3.32Å; K578-P580 WeakPolarHBondContact O-CD 3.36Å; P580-M584 VanDerWaalsContact O-CB 3.31Å; P580-M584 WeakPolarHBondContact O-CB 3.32Å; P580-M584 PolarHBondContact O-N 2.91Å; P580-M584 VanDerWaalsContact O-N 3.1Å; P580-I612 HydrophobicContact CB-CD1 3.71Å
581E93.6Very high92.8Very high112 Ų11242.4 Ų42.452%0.52321%0.205SC..Hα-helixtrans-78.5-48.1-173.6-172.2166.3165.600111.9D579 L583 M584 N585D579-E581 PolarHBondContact O-N 2.86Å; D579-E581 PolarHBondContact OD1-N 2.82Å; E581-L583 VanDerWaalsContact C-N 3.32Å; E581-L583 PolarHBondContact O-N 3.11Å; E581-M584 PolarHBondContact O-N 2.69Å; E581-N585 PolarHBondContact O-N 2.98Å; E581-N585 PolarHBondContact O-ND2 3.23Å
582Q93.9Very high92.7Very high122 Ų12244.7 Ų44.757%0.5721%0.212SC*.Hα-helixtrans-63.3-40.5174.9-67.8-171.31100111.7D579 N585 T586D579-Q582 PolarHBondContact OD1-N 2.82Å; D579-Q582 WeakPolarHBondContact OD2-CG 3.44Å; D579-Q582 PolarHBondContact OD2-NE2 3.28Å; D579-Q582 PolarHBondContact OD2-OE1 2.94Å; Q582-N585 PolarHBondContact O-N 2.96Å; Q582-T586 WeakPolarHBondContact O-CB 3.4Å; Q582-T586 PolarHBondContact O-N 3.05Å; Q582-T586 PolarHBondContact O-OG1 3.36Å
583L93.9Very high92.3Very high4 Ų448.8 Ų48.82%0.02123%0.229CC..Hα-helixtrans-59.2-49.3176.1179.461.7000111.2L545 W548 I567 H577 E581 N585 T586 L587 I612L545-L583 HydrophobicContact CD2-CD1 4.18Å; L545-L583 HydrophobicContact CD2-CD2 4.35Å; W548-L583 HydrophobicContact CB-CD1 4.29Å; I567-L583 HydrophobicContact CD1-CD2 3.67Å; H577-L583 HydrophobicContact CB-CD2 4.32Å; E581-L583 VanDerWaalsContact C-N 3.32Å; E581-L583 PolarHBondContact O-N 3.11Å; L583-N585 PolarHBondContact O-N 3.05Å; L583-T586 PolarHBondContact O-N 2.97Å; L583-L587 HydrophobicContact CD1-CD1 4.19Å; L583-L587 HydrophobicContact CD1-CG 4.23Å; L583-L587 HydrophobicContact CG-CD1 4.02Å; L583-L587 HydrophobicContact CG-CG 4.47Å; L583-L587 WeakPolarHBondContact O-CB 3.41Å; L583-L587 WeakPolarHBondContact O-CG 3.34Å; L583-L587 PolarHBondContact O-N 2.79Å; L583-I612 HydrophobicContact CD2-CD1 4.32Å
584M93.6Very high91.7Very high2 Ų251.3 Ų51.31%0.0124%0.242CC..Hα-helixtrans-63.8-39.7-179.2-168.866.5-171.400112.5P580 E581 T586 L587 R588 M603 R605P580-M584 VanDerWaalsContact O-CB 3.31Å; P580-M584 WeakPolarHBondContact O-CB 3.32Å; P580-M584 PolarHBondContact O-N 2.91Å; P580-M584 VanDerWaalsContact O-N 3.1Å; E581-M584 PolarHBondContact O-N 2.69Å; M584-T586 VanDerWaalsContact C-N 3.33Å; M584-L587 PolarHBondContact O-N 3.13Å; M584-R588 HydrophobicContact CE-CG 4.23Å; M584-R588 WeakPolarHBondContact O-CB 3.35Å; M584-R588 WeakPolarHBondContact O-CG 3.41Å; M584-R588 PolarHBondContact O-N 2.75Å; M584-M603 HydrophobicContact CE-CB 3.61Å; M584-M603 WeakPolarHBondContact CE-O 3.32Å; M584-M603 HydrophobicContact SD-CB 4.28Å; M584-R605 HydrophobicContact SD-CB 4.42Å
585N92.4Very high90.8Very high87 Ų8755.5 Ų55.547%0.46526%0.263SS..Hα-helixtrans-64.6-39.6176.5-72.2-23000111.7E581 Q582 L583 K589E581-N585 PolarHBondContact O-N 2.98Å; E581-N585 PolarHBondContact O-ND2 3.23Å; Q582-N585 PolarHBondContact O-N 2.96Å; L583-N585 PolarHBondContact O-N 3.05Å; N585-K589 WeakPolarHBondContact O-CB 3.45Å; N585-K589 PolarHBondContact O-N 2.89Å
586T92.6Very high89.5Confident34 Ų3459 Ų5921%0.20928%0.281CS..Hα-helixtrans-66.6-45.8177.3-54.60000111.2F544 W548 Q582 L583 M584 R588 K589 L590F544-T586 HydrophobicContact CZ-CG2 4.07Å; W548-T586 HydrophobicContact CH2-CG2 4.28Å; W548-T586 HydrophobicContact CZ2-CG2 3.82Å; Q582-T586 WeakPolarHBondContact O-CB 3.4Å; Q582-T586 PolarHBondContact O-N 3.05Å; Q582-T586 PolarHBondContact O-OG1 3.36Å; L583-T586 PolarHBondContact O-N 2.97Å; M584-T586 VanDerWaalsContact C-N 3.33Å; T586-R588 PolarHBondContact O-N 2.95Å; T586-K589 WeakPolarHBondContact O-CB 3.31Å; T586-K589 PolarHBondContact O-N 2.97Å; T586-L590 HydrophobicContact CG2-CD1 4.05Å; T586-L590 WeakPolarHBondContact O-CG 3.39Å; T586-L590 PolarHBondContact O-N 3.26Å
587L91.6Very high88.4Confident0 Ų059.1 Ų59.10%028%0.282CS..Hα-helixtrans-60.8-43.9176.7-72.3173.2000112.3F544 L583 M584 K589 L590 R591 I597 M603 I614F544-L587 HydrophobicContact CD1-CD2 3.84Å; F544-L587 HydrophobicContact CE1-CD2 3.54Å; F544-L587 HydrophobicContact CE1-CG 4.39Å; L583-L587 HydrophobicContact CD1-CD1 4.19Å; L583-L587 HydrophobicContact CD1-CG 4.23Å; L583-L587 HydrophobicContact CG-CD1 4.02Å; L583-L587 HydrophobicContact CG-CG 4.47Å; L583-L587 WeakPolarHBondContact O-CB 3.41Å; L583-L587 WeakPolarHBondContact O-CG 3.34Å; L583-L587 PolarHBondContact O-N 2.79Å; M584-L587 PolarHBondContact O-N 3.13Å; L587-K589 VanDerWaalsContact C-N 3.34Å; L587-K589 PolarHBondContact O-N 3.3Å; L587-L590 PolarHBondContact O-N 3.05Å; L587-R591 WeakPolarHBondContact O-CB 3.49Å; L587-R591 PolarHBondContact O-N 3.19Å; L587-I597 HydrophobicContact CB-CD1 4.45Å; L587-I597 HydrophobicContact CD2-CD1 3.71Å; L587-M603 HydrophobicContact CB-CE 4.36Å; L587-M603 HydrophobicContact CB-SD 3.65Å; L587-M603 HydrophobicContact CD1-SD 4.47Å; L587-M603 HydrophobicContact CG-SD 4.5Å; L587-I614 HydrophobicContact CD1-CD1 4.16Å
588R90.9Very high87.6Confident69 Ų6962.2 Ų62.226%0.2630%0.301SS..Hα-helixtrans-61.6-42174-75176.5-179.5145.6-2.8111.9M584 T586 R591 R592 M603M584-R588 HydrophobicContact CE-CG 4.23Å; M584-R588 WeakPolarHBondContact O-CB 3.35Å; M584-R588 WeakPolarHBondContact O-CG 3.41Å; M584-R588 PolarHBondContact O-N 2.75Å; T586-R588 PolarHBondContact O-N 2.95Å; R588-R591 PolarHBondContact O-N 3.3Å; R588-R592 WeakPolarHBondContact O-CB 3.46Å; R588-R592 VanDerWaalsContact O-CG 3.27Å; R588-R592 WeakPolarHBondContact O-CG 3.34Å; R588-R592 PolarHBondContact O-N 3.44Å; R588-M603 HydrophobicContact CG-CE 4.02Å
589K90.9Very high87Confident134 Ų13456.5 Ų56.558%0.58328%0.28SS*.Hα-helixtrans-61.7-44.6177.3-171177.6-179.9-177.70111.6N585 T586 L587 R592 Q593N585-K589 WeakPolarHBondContact O-CB 3.45Å; N585-K589 PolarHBondContact O-N 2.89Å; T586-K589 WeakPolarHBondContact O-CB 3.31Å; T586-K589 PolarHBondContact O-N 2.97Å; L587-K589 VanDerWaalsContact C-N 3.34Å; L587-K589 PolarHBondContact O-N 3.3Å; K589-R592 PolarHBondContact O-N 3Å; K589-Q593 WeakPolarHBondContact O-CG 3.39Å; K589-Q593 PolarHBondContact O-N 2.84Å
590L90.6Very high86.5Confident20 Ų2054.4 Ų54.411%0.10527%0.268CS..Hα-helixtrans-63-42.1176.8-76.4157.8000112.5F544 T586 L587 R592 Q593 M594 D595 I597F544-L590 HydrophobicContact CD2-CD1 4.24Å; F544-L590 HydrophobicContact CE1-CD1 3.76Å; F544-L590 HydrophobicContact CE2-CD1 3.38Å; F544-L590 HydrophobicContact CZ-CD1 3.09Å; T586-L590 HydrophobicContact CG2-CD1 4.05Å; T586-L590 WeakPolarHBondContact O-CG 3.39Å; T586-L590 PolarHBondContact O-N 3.26Å; L587-L590 PolarHBondContact O-N 3.05Å; L590-R592 VanDerWaalsContact C-N 3.35Å; L590-Q593 PolarHBondContact O-N 3.34Å; L590-M594 PolarHBondContact O-N 2.58Å; L590-D595 HydrophobicContact CD2-CB 4.36Å; L590-D595 PolarHBondContact O-N 3.06Å; L590-I597 HydrophobicContact CB-CD1 4.12Å; L590-I597 HydrophobicContact CB-CG1 4.46Å
591R91.1Very high86.4Confident8 Ų853.8 Ų53.83%0.0326%0.264CS..Hα-helixtrans-60.8-43.6174.9-177.2-178179.6-171.515.9112L587 R588 Q593 M594 I597 S599 V601 M603 E663 Y664 E669L587-R591 WeakPolarHBondContact O-CB 3.49Å; L587-R591 PolarHBondContact O-N 3.19Å; R588-R591 PolarHBondContact O-N 3.3Å; R591-Q593 VanDerWaalsContact C-N 3.31Å; R591-Q593 PolarHBondContact O-N 2.74Å; R591-M594 PolarHBondContact O-N 2.89Å; R591-I597 HydrophobicContact CB-CB 4.27Å; R591-I597 HydrophobicContact CB-CG2 3.92Å; R591-I597 HydrophobicContact CG-CG2 4.07Å; R591-S599 PolarHBondContact NE-O 3.37Å; R591-S599 PolarHBondContact NH2-O 3.33Å; R591-V601 PolarHBondContact NE-O 3.29Å; R591-V601 PolarHBondContact NH2-O 3.43Å; R591-M603 HydrophobicContact CB-CE 4.13Å; R591-E663 WeakPolarHBondContact CD-OE1 3.41Å; R591-E663 IonicContact CZ-OE1 2.67Å; R591-E663 IonicContact NE-OE1 3.45Å; R591-E663 IonicContact NH1-OE1 2.7Å; R591-E663 PolarHBondContact NH1-OE1 3.36Å; R591-Y664 PolarHBondContact NH2-O 2.73Å; R591-E669 IonicContact CZ-OE2 3.21Å; R591-E669 IonicContact NH1-OE1 3.32Å; R591-E669 PolarHBondContact NH1-OE1 3.44Å; R591-E669 VanDerWaalsContact NH1-OE1 3.16Å; R591-E669 IonicContact NH1-OE2 3.61Å; R591-E669 PolarHBondContact NH1-OE2 2.97Å; R591-E669 IonicContact NH2-OE2 3.72Å
592R89.6Confident86.5Confident52 Ų5248.4 Ų48.420%0.19624%0.239CC..Hα-helixtrans-69.2-27.4179.3-71171.6-176.5-173-3.2113.2R588 K589 L590 M594 I627 E629 E663R588-R592 WeakPolarHBondContact O-CB 3.46Å; R588-R592 VanDerWaalsContact O-CG 3.27Å; R588-R592 WeakPolarHBondContact O-CG 3.34Å; R588-R592 PolarHBondContact O-N 3.44Å; K589-R592 PolarHBondContact O-N 3Å; L590-R592 VanDerWaalsContact C-N 3.35Å; R592-M594 VanDerWaalsContact C-N 3.32Å; R592-I627 HydrophobicContact CG-CD1 4.11Å; R592-E629 IonicContact NH1-OE1 3.51Å; R592-E629 PolarHBondContact NH1-OE1 3.38Å; R592-E663 IonicContact CZ-OE2 3.96Å; R592-E663 IonicContact NE-OE2 3.12Å; R592-E663 PolarHBondContact NE-OE2 3.38Å; R592-E663 VanDerWaalsContact NE-OE2 3.17Å; R592-E663 IonicContact NH2-OE2 3.8Å; R592-E663 PolarHBondContact NH2-OE2 2.84Å
593Q87.2Confident86.5Confident112 Ų11242.7 Ų42.752%0.52321%0.212SC..THydrogen-bonded Turntrans-83.2-6.4175.1-71.6178.9-26.500113.6K589 L590 R591 D595K589-Q593 WeakPolarHBondContact O-CG 3.39Å; K589-Q593 PolarHBondContact O-N 2.84Å; L590-Q593 PolarHBondContact O-N 3.34Å; R591-Q593 VanDerWaalsContact C-N 3.31Å; R591-Q593 PolarHBondContact O-N 2.74Å; Q593-D595 VanDerWaalsContact C-N 3.25Å; Q593-D595 PolarHBondContact O-N 2.67Å
594M80.8Confident86.6Confident59 Ų5942.6 Ų42.629%0.29121%0.211SC..THydrogen-bonded Turntrans51.538.5-173.6-66.9-160.2-174.600114.3L590 R591 R592 V657 A658L590-M594 PolarHBondContact O-N 2.58Å; R591-M594 PolarHBondContact O-N 2.89Å; R592-M594 VanDerWaalsContact C-N 3.32Å; M594-V657 HydrophobicContact CE-CB 3.35Å; M594-V657 HydrophobicContact CE-CG1 3.14Å; M594-A658 HydrophobicContact CE-CB 4.42Å; M594-A658 HydrophobicContact SD-CB 4.22Å
595D74.2Confident86.7Confident114 Ų11445.1 Ų45.161%0.6122%0.221SC*.SBendtrans-83.2-91.2-178-165.516.8000110.9L590 Q593L590-D595 HydrophobicContact CD2-CB 4.36Å; L590-D595 PolarHBondContact O-N 3.06Å; Q593-D595 VanDerWaalsContact C-N 3.25Å; Q593-D595 PolarHBondContact O-N 2.67Å
596I66.7Low86.8Confident73 Ų7342.8 Ų42.837%0.37421%0.208SC..SBendtrans-86.3-31.9179.1-55170.2000111.4P540 F544P540-I596 HydrophobicContact CB-CG2 3.89Å; F544-I596 HydrophobicContact CD2-CD1 4.1Å
597I69.7Low86.8Confident5 Ų547.2 Ų47.23%0.02623%0.229CC..SBendtrans-98.7111.3-172.7-59.1179.9000109.4L587 L590 R591 V601 M603L587-I597 HydrophobicContact CB-CD1 4.45Å; L587-I597 HydrophobicContact CD2-CD1 3.71Å; L590-I597 HydrophobicContact CB-CD1 4.12Å; L590-I597 HydrophobicContact CB-CG1 4.46Å; R591-I597 HydrophobicContact CB-CB 4.27Å; R591-I597 HydrophobicContact CB-CG2 3.92Å; R591-I597 HydrophobicContact CG-CG2 4.07Å; I597-V601 HydrophobicContact CG2-CB 3.55Å; I597-V601 HydrophobicContact CG2-CG1 3.96Å; I597-V601 HydrophobicContact CG2-CG2 3.84Å; I597-M603 HydrophobicContact CD1-SD 4.25Å
598V78.3Confident86.9Confident77 Ų7755.8 Ų55.847%0.46726%0.262SS..  trans-63.2145.9172.8-166.40000109.5E600 V601V598-E600 HydrophobicContact CG1-CG 4.39Å; V598-E600 PolarHBondContact O-N 3.47Å; V598-V601 WeakPolarHBondContact O-CG2 3.27Å; V598-V601 PolarHBondContact O-N 3.01Å
599S76.9Confident86.8Confident27 Ų2754.5 Ų54.519%0.18926%0.259CS..THydrogen-bonded Turntrans-54.6-20.818061.30000114.5R591R591-S599 PolarHBondContact NE-O 3.37Å; R591-S599 PolarHBondContact NH2-O 3.33Å
600E83.8Confident87Confident17 Ų1753.6 Ų53.68%0.07925%0.251CS..THydrogen-bonded Turntrans-74.2-18.7177.3-58.5-162.5165.100114.7Y531 S533 V534 G535 V598 S602 R620Y531-E600 HydrophobicContact CE1-CG 4.14Å; Y531-E600 VanDerWaalsContact CE1-OE1 3.26Å; Y531-E600 WeakPolarHBondContact CE1-OE1 3.43Å; Y531-E600 VanDerWaalsContact CZ-OE1 3.32Å; Y531-E600 PolarHBondContact OH-OE1 2.62Å; S533-E600 WeakPolarHBondContact CA-OE2 3.12Å; V534-E600 PolarHBondContact N-OE2 2.91Å; G535-E600 PolarHBondContact N-OE2 3.2Å; G535-E600 VanDerWaalsContact N-OE2 3.12Å; V598-E600 HydrophobicContact CG1-CG 4.39Å; V598-E600 PolarHBondContact O-N 3.47Å; E600-S602 PolarHBondContact O-N 3.37Å; E600-R620 PolarHBondContact O-NH1 2.7Å; E600-R620 PolarHBondContact O-NH2 3.15Å
601V92.9Very high87.1Confident1 Ų153 Ų531%0.00625%0.248CC..  trans-71.5122.3-177.9178.10000109.3I541 R591 I597 V598 M603 I614 T616I541-V601 HydrophobicContact CD1-CG1 3.82Å; I541-V601 HydrophobicContact CD1-CG2 4.01Å; R591-V601 PolarHBondContact NE-O 3.29Å; R591-V601 PolarHBondContact NH2-O 3.43Å; I597-V601 HydrophobicContact CG2-CB 3.55Å; I597-V601 HydrophobicContact CG2-CG1 3.96Å; I597-V601 HydrophobicContact CG2-CG2 3.84Å; V598-V601 WeakPolarHBondContact O-CG2 3.27Å; V598-V601 PolarHBondContact O-N 3.01Å; V601-M603 HydrophobicContact CG1-CG 4.22Å; V601-I614 HydrophobicContact CG1-CG2 3.73Å; V601-T616 HydrophobicContact CG1-CG2 4.1Å; V601-T616 HydrophobicContact CG2-CG2 3.99Å
602S94.3Very high87.4Confident0 Ų052.6 Ų52.60%025%0.247CC..EExtended strand (participates in β ladder)trans-95.6140.9175.7173.30000110.5E600 I604 I614 Y615 R620 D666E600-S602 PolarHBondContact O-N 3.37Å; S602-I604 WeakPolarHBondContact OG-CD1 3.38Å; S602-I614 CarbonylContact O-C 3.57Å; S602-I614 WeakPolarHBondContact O-CA 3.13Å; S602-Y615 PolarHBondContact N-O 3.41Å; S602-Y615 PolarHBondContact O-N 2.98Å; S602-R620 VanDerWaalsContact CB-NH1 3.27Å; S602-D666 VanDerWaalsContact CB-CG 3.42Å; S602-D666 WeakPolarHBondContact CB-OD2 3.33Å; S602-D666 PolarHBondContact OG-OD1 3.16Å; S602-D666 PolarHBondContact OG-OD2 3.11Å
603M94.1Very high87.7Confident1 Ų151.6 Ų51.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-135.8121.3-177.1-54.6169.7-54.400108.5M584 L587 R588 R591 I597 V601 I614M584-M603 HydrophobicContact CE-CB 3.61Å; M584-M603 WeakPolarHBondContact CE-O 3.32Å; M584-M603 HydrophobicContact SD-CB 4.28Å; L587-M603 HydrophobicContact CB-CE 4.36Å; L587-M603 HydrophobicContact CB-SD 3.65Å; L587-M603 HydrophobicContact CD1-SD 4.47Å; L587-M603 HydrophobicContact CG-SD 4.5Å; R588-M603 HydrophobicContact CG-CE 4.02Å; R591-M603 HydrophobicContact CB-CE 4.13Å; I597-M603 HydrophobicContact CD1-SD 4.25Å; V601-M603 HydrophobicContact CG1-CG 4.22Å; M603-I614 HydrophobicContact CG-CG1 4.33Å; M603-I614 HydrophobicContact CG-CG2 4.39Å
604I95.8Very high88.1Confident2 Ų246.4 Ų46.41%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-125.6128.7-174.7-50.589.4000108.5S602 I612 R613 Y615 L668 E669 T672S602-I604 WeakPolarHBondContact OG-CD1 3.38Å; I604-I612 CarbonylContact O-C 3.55Å; I604-I612 WeakPolarHBondContact O-CA 3.36Å; I604-R613 WeakPolarHBondContact CD1-O 3.4Å; I604-R613 PolarHBondContact N-O 2.99Å; I604-R613 PolarHBondContact O-N 3.5Å; I604-Y615 HydrophobicContact CD1-CD2 3.82Å; I604-Y615 HydrophobicContact CD1-CE2 4.18Å; I604-L668 HydrophobicContact CD1-CB 4.23Å; I604-L668 HydrophobicContact CD1-CD2 3.8Å; I604-L668 HydrophobicContact CD1-CG 4.21Å; I604-L668 HydrophobicContact CG1-CB 4.15Å; I604-L668 HydrophobicContact CG1-CD2 4.12Å; I604-L668 HydrophobicContact CG1-CG 4.03Å; I604-E669 HydrophobicContact CG1-CB 4.19Å; I604-T672 HydrophobicContact CG2-CG2 3.61Å
605R95.6Very high88.8Confident56 Ų5644 Ų4421%0.21121%0.206CC..EExtended strand (participates in β ladder)trans-110.2108.5172-178.6-178.5174.9-161.4-0.6109.1M584 I607 I612M584-R605 HydrophobicContact SD-CB 4.42Å; R605-I607 HydrophobicContact CG-CG1 4.26Å; R605-I607 PolarHBondContact O-N 3.1Å; R605-I612 HydrophobicContact CB-CG1 4.3Å; R605-I612 HydrophobicContact CG-CG1 4.09Å
606D94.9Very high89.7Confident38 Ų3838.6 Ų38.620%0.20318%0.178CC..EExtended strand (participates in β ladder)trans-83.9102.9168.5-167.9-32.8000108.7R608 E609 R610 E611 R613D606-R608 VanDerWaalsContact C-N 3.33Å; D606-R608 PolarHBondContact OD1-N 3.48Å; D606-R608 VanDerWaalsContact OD1-N 3.12Å; D606-E609 HydrophobicContact CB-CB 4.4Å; D606-E609 PolarHBondContact OD1-N 3.14Å; D606-E609 VanDerWaalsContact OD1-N 3.07Å; D606-R610 WeakPolarHBondContact O-CA 3.32Å; D606-R610 PolarHBondContact O-N 2.72Å; D606-E611 HydrophobicContact CB-CB 4.4Å; D606-E611 PolarHBondContact N-O 3.24Å; D606-E611 PolarHBondContact O-N 3.29Å; D606-E611 VanDerWaalsContact O-N 3.1Å; D606-R613 IonicContact OD2-NH2 3.82Å
607I94Very high90.9Very high126 Ų12636 Ų3665%0.64617%0.165SC*.THydrogen-bonded Turntrans-69.5-34.7-176.1-58.3172.2000110.8R605R605-I607 HydrophobicContact CG-CG1 4.26Å; R605-I607 PolarHBondContact O-N 3.1Å
608R92.6Very high92Very high181 Ų18137.7 Ų37.768%0.68318%0.179SC*.THydrogen-bonded Turntrans-71.8-44.8-176.2-178.7-180175.4-172.3-4111.1R379 D606 R610R379-R608 PolarHBondContact O-NH2 3.08Å; D606-R608 VanDerWaalsContact C-N 3.33Å; D606-R608 PolarHBondContact OD1-N 3.48Å; D606-R608 VanDerWaalsContact OD1-N 3.12Å; R608-R610 VanDerWaalsContact C-N 3.34Å
609E89.6Confident92.8Very high41 Ų4134.2 Ų34.219%0.19216%0.158CC..THydrogen-bonded Turntrans-88-4.5-178.3-59.8-68.5154.700112.9R380 D606 E611R380-E609 IonicContact NH1-OE2 3.74Å; D606-E609 HydrophobicContact CB-CB 4.4Å; D606-E609 PolarHBondContact OD1-N 3.14Å; D606-E609 VanDerWaalsContact OD1-N 3.07Å; E609-E611 HydrophobicContact CB-CG 4.18Å
610R93.5Very high93.6Very high115 Ų11533.1 Ų33.143%0.43415%0.15SC..THydrogen-bonded Turntrans52.753.8-174.3-53.7-176.9-173.7-167.73.5111.7D563 T565 K566 D606 R608D563-R610 PolarHBondContact O-NH1 3.45Å; D563-R610 VanDerWaalsContact O-NH1 3.08Å; D563-R610 IonicContact OD1-CZ 2.79Å; D563-R610 IonicContact OD1-NH1 3.79Å; D563-R610 PolarHBondContact OD1-NH1 3.26Å; T565-R610 WeakPolarHBondContact CA-O 3.43Å; T565-R610 WeakPolarHBondContact CG2-O 3.13Å; K566-R610 PolarHBondContact N-O 2.86Å; K566-R610 VanDerWaalsContact N-O 3.1Å; D606-R610 WeakPolarHBondContact O-CA 3.32Å; D606-R610 PolarHBondContact O-N 2.72Å; R608-R610 VanDerWaalsContact C-N 3.34Å
611E94.2Very high94.2Very high7 Ų732.6 Ų32.63%0.03315%0.148CC..EExtended strand (participates in β ladder)trans-126.5137.6178.2-64.2179.5164.600110.8Y367 K566 F568 D606 E609Y367-E611 WeakPolarHBondContact CE2-OE1 3.05Å; Y367-E611 VanDerWaalsContact CZ-OE1 3.27Å; Y367-E611 PolarHBondContact OH-OE1 3.31Å; Y367-E611 PolarHBondContact OH-OE2 3.48Å; K566-E611 WeakPolarHBondContact O-CA 3.16Å; F568-E611 HydrophobicContact CE2-CG 4.33Å; D606-E611 HydrophobicContact CB-CB 4.4Å; D606-E611 PolarHBondContact N-O 3.24Å; D606-E611 PolarHBondContact O-N 3.29Å; D606-E611 VanDerWaalsContact O-N 3.1Å; E609-E611 HydrophobicContact CB-CG 4.18Å
612I96.3Very high94.3Very high0 Ų032.7 Ų32.70%015%0.149CC..EExtended strand (participates in β ladder)trans-110.7127.9165.1-68.6169.4000107.6T565 K566 I567 F568 P580 L583 I604 R605 I614T565-I612 HydrophobicContact CG2-CB 4.47Å; T565-I612 HydrophobicContact CG2-CD1 3.99Å; T565-I612 HydrophobicContact CG2-CG1 3.83Å; K566-I612 PolarHBondContact O-N 3.03Å; I567-I612 CarbonylContact C-O 3.55Å; I567-I612 WeakPolarHBondContact CA-O 3.5Å; I567-I612 HydrophobicContact CG1-CB 4.35Å; F568-I612 PolarHBondContact N-O 3.1Å; P580-I612 HydrophobicContact CB-CD1 3.71Å; L583-I612 HydrophobicContact CD2-CD1 4.32Å; I604-I612 CarbonylContact O-C 3.55Å; I604-I612 WeakPolarHBondContact O-CA 3.36Å; R605-I612 HydrophobicContact CB-CG1 4.3Å; R605-I612 HydrophobicContact CG-CG1 4.09Å; I612-I614 HydrophobicContact CG2-CG1 4.22Å
613R95.9Very high94.4Very high32 Ų3233.1 Ų33.112%0.12115%0.15CC..EExtended strand (participates in β ladder)trans-122125179.4-68.6176.1-81.5164.7-4.8109.3F568 I604 D606 Y615F568-R613 HydrophobicContact CB-CG 4.19Å; F568-R613 HydrophobicContact CD2-CG 4.26Å; I604-R613 WeakPolarHBondContact CD1-O 3.4Å; I604-R613 PolarHBondContact N-O 2.99Å; I604-R613 PolarHBondContact O-N 3.5Å; D606-R613 IonicContact OD2-NH2 3.82Å; R613-Y615 HydrophobicContact CB-CE2 3.92Å
614I95.9Very high94.5Very high2 Ų233.3 Ų33.31%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-116.8130.8178.2-57.7175.7000108.3I541 L545 F568 V569 N570 L587 V601 S602 M603 I612I541-I614 HydrophobicContact CD1-CG2 4.35Å; I541-I614 HydrophobicContact CG2-CD1 4.34Å; I541-I614 HydrophobicContact CG2-CG2 4.49Å; L545-I614 HydrophobicContact CD1-CD1 4.21Å; F568-I614 PolarHBondContact O-N 2.94Å; V569-I614 CarbonylContact C-O 3.54Å; V569-I614 WeakPolarHBondContact CA-O 3.48Å; V569-I614 HydrophobicContact CG2-CB 4.34Å; N570-I614 PolarHBondContact N-O 3.05Å; L587-I614 HydrophobicContact CD1-CD1 4.16Å; V601-I614 HydrophobicContact CG1-CG2 3.73Å; S602-I614 CarbonylContact O-C 3.57Å; S602-I614 WeakPolarHBondContact O-CA 3.13Å; M603-I614 HydrophobicContact CG-CG1 4.33Å; M603-I614 HydrophobicContact CG-CG2 4.39Å; I612-I614 HydrophobicContact CG2-CG1 4.22Å
615Y95.1Very high94.5Very high9 Ų933.2 Ų33.24%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-125.2124178.1-67-81.1000111.2N570 S602 I604 R613 R620 L668N570-Y615 WeakPolarHBondContact OD1-CA 3.48Å; S602-Y615 PolarHBondContact N-O 3.41Å; S602-Y615 PolarHBondContact O-N 2.98Å; I604-Y615 HydrophobicContact CD1-CD2 3.82Å; I604-Y615 HydrophobicContact CD1-CE2 4.18Å; R613-Y615 HydrophobicContact CB-CE2 3.92Å; Y615-R620 VanDerWaalsContact O-CZ 3.3Å; Y615-R620 PolarHBondContact O-NH2 3.2Å; Y615-L668 HydrophobicContact CD2-CD2 4.12Å; Y615-L668 HydrophobicContact CE2-CD2 3.48Å; Y615-L668 VanDerWaalsContact CE2-CD2 3.48Å
616T93.7Very high94.5Very high1 Ų130.6 Ų30.61%0.00614%0.141CC..  trans-114.35.3172.8760000112.2G535 S536 P538 I541 N570 V601G535-T616 WeakPolarHBondContact CA-O 3.11Å; S536-T616 PolarHBondContact N-O 3.19Å; S536-T616 PolarHBondContact O-OG1 3.4Å; P538-T616 HydrophobicContact CB-CG2 4.49Å; I541-T616 HydrophobicContact CD1-CG2 3.37Å; N570-T616 PolarHBondContact ND2-OG1 3.38Å; N570-T616 PolarHBondContact OD1-N 3.02Å; N570-T616 PolarHBondContact OD1-OG1 3.12Å; V601-T616 HydrophobicContact CG1-CG2 4.1Å; V601-T616 HydrophobicContact CG2-CG2 3.99Å
617D92Very high94.6Very high19 Ų1928.8 Ų28.810%0.10213%0.131CC..  trans-70.7157.8-176.369-18.6000113.2R392 S533 R620R392-D617 IonicContact CZ-OD1 3.92Å; R392-D617 IonicContact CZ-OD2 2.77Å; R392-D617 IonicContact NE-OD1 3.9Å; R392-D617 PolarHBondContact NE-OD1 3.06Å; R392-D617 IonicContact NE-OD2 3.02Å; R392-D617 PolarHBondContact NE-OD2 3.05Å; R392-D617 IonicContact NH2-OD1 3.67Å; R392-D617 PolarHBondContact NH2-OD1 3.09Å; R392-D617 IonicContact NH2-OD2 3.61Å; R392-D617 PolarHBondContact NH2-OD2 3.24Å; S533-D617 PolarHBondContact OG-O 2.91Å; D617-R620 PolarHBondContact O-NE 3.2Å; D617-R620 VanDerWaalsContact O-NE 3.14Å; D617-R620 PolarHBondContact O-NH2 2.75Å; D617-R620 WeakPolarHBondContact OD1-CD 3.48Å; D617-R620 WeakPolarHBondContact OD1-CG 3.49Å; D617-R620 IonicContact OD1-NE 3.46Å; D617-R620 PolarHBondContact OD1-NE 2.79Å
618A92.4Very high94.6Very high40 Ų4023.1 Ų23.133%0.33110%0.103SC..THydrogen-bonded Turntrans-78.5152.6178.500000112.2V534V534-A618 WeakPolarHBondContact O-CB 3.42Å
619G94.2Very high94.4Very high3 Ų319 Ų193%0.0319%0.091CC..THydrogen-bonded Turntrans83.513.6172.800000114.7R392 L393 S533R392-G619 CarbonylContact C-O 3.56Å; R392-G619 WeakPolarHBondContact CA-O 3.3Å; L393-G619 PolarHBondContact N-O 3.05Å; L393-G619 VanDerWaalsContact O-CA 3.29Å; L393-G619 WeakPolarHBondContact O-CA 3.44Å; S533-G619 PolarHBondContact O-N 3.09Å; S533-G619 PolarHBondContact OG-N 3.35Å; S533-G619 VanDerWaalsContact OG-N 3.16Å
620R95.4Very high94.3Very high5 Ų526.8 Ų26.82%0.01912%0.124CC..  trans-77.1138.4167.2-72.4178.5-70.7111.16.8109.2R392 I532 S533 E600 S602 Y615 D617 D666R392-R620 VanDerWaalsContact CZ-CG 3.45Å; R392-R620 VanDerWaalsContact NE-CG 3.3Å; I532-R620 CarbonylContact C-O 3.54Å; I532-R620 VanDerWaalsContact CA-O 3.24Å; I532-R620 WeakPolarHBondContact CA-O 3.37Å; S533-R620 PolarHBondContact N-O 3.02Å; S533-R620 PolarHBondContact OG-N 3.15Å; E600-R620 PolarHBondContact O-NH1 2.7Å; E600-R620 PolarHBondContact O-NH2 3.15Å; S602-R620 VanDerWaalsContact CB-NH1 3.27Å; Y615-R620 VanDerWaalsContact O-CZ 3.3Å; Y615-R620 PolarHBondContact O-NH2 3.2Å; D617-R620 PolarHBondContact O-NE 3.2Å; D617-R620 VanDerWaalsContact O-NE 3.14Å; D617-R620 PolarHBondContact O-NH2 2.75Å; D617-R620 WeakPolarHBondContact OD1-CD 3.48Å; D617-R620 WeakPolarHBondContact OD1-CG 3.49Å; D617-R620 IonicContact OD1-NE 3.46Å; D617-R620 PolarHBondContact OD1-NE 2.79Å; R620-D666 WeakPolarHBondContact CD-OD2 3.01Å; R620-D666 IonicContact NH1-OD2 2.71Å; R620-D666 PolarHBondContact NH1-OD2 2.84Å
621I96Very high93.9Very high6 Ų623.7 Ų23.73%0.03112%0.115CC..EExtended strand (participates in β ladder)trans-94.2130.9174.2-165.9159.9000109.1Y388 L393 M508 V509 L526 A530 Y531 D666 T667Y388-I621 HydrophobicContact CD1-CG2 3.91Å; Y388-I621 HydrophobicContact CE1-CG2 4.38Å; L393-I621 HydrophobicContact CD1-CD1 4.32Å; M508-I621 HydrophobicContact CB-CD1 3.82Å; M508-I621 HydrophobicContact CB-CG1 4.06Å; M508-I621 HydrophobicContact CB-CG2 4.14Å; M508-I621 HydrophobicContact CG-CG1 4.4Å; M508-I621 HydrophobicContact CG-CG2 4.05Å; M508-I621 WeakPolarHBondContact O-CD1 3.42Å; M508-I621 HydrophobicContact SD-CB 4.4Å; M508-I621 HydrophobicContact SD-CG1 3.87Å; M508-I621 HydrophobicContact SD-CG2 4.03Å; V509-I621 HydrophobicContact CG2-CD1 4.47Å; L526-I621 HydrophobicContact CD2-CD1 3.48Å; L526-I621 VanDerWaalsContact CD2-CD1 3.48Å; A530-I621 HydrophobicContact CB-CD1 4.14Å; A530-I621 HydrophobicContact CB-CG1 4.25Å; Y531-I621 WeakPolarHBondContact O-CA 3.39Å; I621-D666 WeakPolarHBondContact O-CA 3.42Å; I621-D666 WeakPolarHBondContact O-CB 3.36Å; I621-T667 WeakPolarHBondContact CG2-OG1 3.45Å
622C95.2Very high93.6Very high3 Ų328.2 Ų28.22%0.0214%0.135CC..EExtended strand (participates in β ladder)trans-140.8165.8-179.955.90000110.8Y531 I665 D666Y531-C622 PolarHBondContact N-O 3.4Å; Y531-C622 PolarHBondContact O-N 2.71Å; C622-I665 CarbonylContact C-O 3.59Å; C622-I665 WeakPolarHBondContact CA-O 3.43Å; C622-I665 VanDerWaalsContact CB-O 3.24Å; C622-I665 WeakPolarHBondContact CB-O 3.43Å; C622-D666 HydrophobicContact CB-CB 3.83Å
623R95.6Very high93.3Very high9 Ų929.8 Ų29.83%0.03414%0.143CC..EExtended strand (participates in β ladder)trans-140.3142.6-179.166.7-162.4-169.2102.9-5.4110.5M508 L625 Y664 I665 E670 L675 E697M508-R623 HydrophobicContact CE-CB 4.41Å; M508-R623 HydrophobicContact CE-CG 3.88Å; M508-R623 HydrophobicContact SD-CB 4.25Å; M508-R623 HydrophobicContact SD-CG 4.31Å; R623-L625 HydrophobicContact CG-CG 4.43Å; R623-Y664 CarbonylContact O-C 3.55Å; R623-I665 PolarHBondContact N-O 3Å; R623-I665 PolarHBondContact O-N 2.87Å; R623-E670 IonicContact CZ-OE1 2.73Å; R623-E670 IonicContact NE-OE1 2.95Å; R623-E670 PolarHBondContact NE-OE1 3.33Å; R623-E670 IonicContact NE-OE2 3.83Å; R623-E670 IonicContact NH2-OE1 3.62Å; R623-E670 PolarHBondContact NH2-OE1 3.3Å; R623-L675 VanDerWaalsContact NH2-CD2 3.26Å; R623-E697 IonicContact CZ-OE1 3.19Å; R623-E697 IonicContact CZ-OE2 2.74Å; R623-E697 IonicContact NH1-OE1 3.77Å; R623-E697 PolarHBondContact NH1-OE1 3.39Å; R623-E697 IonicContact NH1-OE2 2.76Å; R623-E697 PolarHBondContact NH1-OE2 2.94Å; R623-E697 IonicContact NH2-OE1 3.82Å; R623-E697 PolarHBondContact NH2-OE1 3.02Å
624P96.3Very high93.1Very high4 Ų430.9 Ų30.93%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-74.7135.6176.630.8-33.8000111.1Y33 M529 W653 V662 E663 Y664 I698Y33-P624 HydrophobicContact CD2-CG 4.46Å; Y33-P624 HydrophobicContact CE2-CG 4.14Å; M529-P624 HydrophobicContact CB-CG 4.33Å; M529-P624 HydrophobicContact CE-CG 3.49Å; M529-P624 VanDerWaalsContact CE-CG 3.49Å; M529-P624 WeakPolarHBondContact O-CD 2.98Å; M529-P624 HydrophobicContact SD-CG 4.47Å; P624-W653 HydrophobicContact CB-CH2 3.86Å; P624-W653 HydrophobicContact CB-CZ2 3.63Å; P624-W653 HydrophobicContact CG-CH2 4.26Å; P624-W653 HydrophobicContact CG-CZ2 4.12Å; P624-V662 HydrophobicContact CB-CG1 3.72Å; P624-E663 CarbonylContact C-O 3.53Å; P624-E663 WeakPolarHBondContact CA-O 3.36Å; P624-Y664 HydrophobicContact CB-CD1 4.19Å; P624-Y664 HydrophobicContact CB-CE1 4.03Å; P624-Y664 HydrophobicContact CG-CE1 4.24Å; P624-I698 HydrophobicContact CB-CD1 4.44Å; P624-I698 HydrophobicContact CG-CD1 4.39Å
625L96.4Very high92.9Very high0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-132.1156177.4-67.3176.1000110.6R623 V662 E663 I665 L675 H695R623-L625 HydrophobicContact CG-CG 4.43Å; L625-V662 CarbonylContact O-C 3.22Å; L625-V662 VanDerWaalsContact O-CA 3.28Å; L625-V662 WeakPolarHBondContact O-CA 3.43Å; L625-V662 WeakPolarHBondContact O-CG1 3.25Å; L625-E663 PolarHBondContact N-O 3.28Å; L625-E663 PolarHBondContact O-N 3.44Å; L625-I665 HydrophobicContact CB-CG1 4.45Å; L625-I665 HydrophobicContact CD1-CB 3.93Å; L625-I665 HydrophobicContact CD1-CG1 3.83Å; L625-I665 HydrophobicContact CD1-CG2 4.46Å; L625-I665 HydrophobicContact CG-CG1 4.46Å; L625-L675 HydrophobicContact CD1-CD2 3.42Å; L625-L675 VanDerWaalsContact CD1-CD2 3.42Å; L625-L675 HydrophobicContact CD1-CG 4.2Å; L625-L675 HydrophobicContact CD2-CD2 4.04Å; L625-L675 HydrophobicContact CG-CD2 4.39Å; L625-H695 HydrophobicContact CB-CB 4.22Å; L625-H695 HydrophobicContact CD1-CB 4.24Å
626L96.1Very high92.7Very high1 Ų134.5 Ų34.51%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-84.9137.5177.1-66.6161.4000110.3W22 L633 L635 V662 H695 C696 I698W22-L626 HydrophobicContact CH2-CD1 3.42Å; W22-L626 VanDerWaalsContact CH2-CD1 3.42Å; W22-L626 HydrophobicContact CZ2-CD1 4.06Å; W22-L626 HydrophobicContact CZ3-CD1 4.46Å; L626-L633 HydrophobicContact CB-CD1 4.49Å; L626-L633 HydrophobicContact CD1-CD1 4.36Å; L626-L633 HydrophobicContact CD1-CD2 4.5Å; L626-L635 HydrophobicContact CD2-CB 4.22Å; L626-L635 HydrophobicContact CD2-CD2 4Å; L626-V662 HydrophobicContact CD2-CG2 3.72Å; L626-H695 CarbonylContact O-C 3.55Å; L626-H695 WeakPolarHBondContact O-CA 3.21Å; L626-H695 WeakPolarHBondContact O-CB 3.36Å; L626-C696 HydrophobicContact CB-CB 4.37Å; L626-C696 PolarHBondContact N-O 3.24Å; L626-C696 PolarHBondContact O-N 3.46Å; L626-I698 HydrophobicContact CD1-CB 4.45Å; L626-I698 HydrophobicContact CD1-CG1 3.99Å; L626-I698 HydrophobicContact CG-CG1 3.85Å
627I95.5Very high92.5Very high0 Ų040.5 Ų40.50%019%0.189CC..EExtended strand (participates in β ladder)trans-80.4137178.2-66.4161.7000109.8R592 E629 L634 G660 V661 E663R592-I627 HydrophobicContact CG-CD1 4.11Å; I627-E629 HydrophobicContact CG2-CG 4.17Å; I627-L634 HydrophobicContact CG2-CD2 4.44Å; I627-L634 PolarHBondContact O-N 3.22Å; I627-L634 VanDerWaalsContact O-N 3.1Å; I627-G660 WeakPolarHBondContact CD1-O 3.35Å; I627-V661 PolarHBondContact N-O 2.77Å; I627-E663 HydrophobicContact CD1-CB 3.97Å; I627-E663 HydrophobicContact CG1-CB 4.06Å
628V93.8Very high92.4Very high8 Ų846.9 Ų46.95%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-117.5128174.3177.80000108.5K632 L682 T694 C696V628-K632 WeakPolarHBondContact CA-O 3.45Å; V628-K632 WeakPolarHBondContact CG1-O 3.31Å; V628-L682 HydrophobicContact CG1-CD1 4.12Å; V628-L682 HydrophobicContact CG1-CD2 3.96Å; V628-L682 HydrophobicContact CG2-CD1 3.74Å; V628-L682 HydrophobicContact CG2-CD2 4.34Å; V628-T694 PolarHBondContact N-O 3.38Å; V628-C696 HydrophobicContact CG2-CB 3.87Å
629E89.6Confident92.3Very high93 Ų9346.4 Ų46.444%0.43520%0.203SC..EExtended strand (participates in β ladder)trans-124.1131.3174.2-69.1-164.9169.600110.2R592 I627 Q631 K632 L634R592-E629 IonicContact NH1-OE1 3.51Å; R592-E629 PolarHBondContact NH1-OE1 3.38Å; I627-E629 HydrophobicContact CG2-CG 4.17Å; E629-Q631 VanDerWaalsContact C-N 3.25Å; E629-Q631 PolarHBondContact O-N 3.1Å; E629-K632 PolarHBondContact N-O 3.28Å; E629-K632 PolarHBondContact O-N 3.31Å; E629-K632 VanDerWaalsContact O-O 3.05Å; E629-L634 HydrophobicContact CB-CD1 4.27Å; E629-L634 HydrophobicContact CG-CD1 4.23Å
630K86.6Confident92.2Very high205 Ų20546.6 Ų46.689%0.89120%0.203SC*.THydrogen-bonded Turntrans50.342.7179.2-58178.2-179.7173.40113.5K632K630-K632 PolarHBondContact O-N 3.32Å
631Q85.3Confident91.9Very high51 Ų5148.8 Ų48.824%0.23822%0.215CC..THydrogen-bonded Turntrans6314.1-177.3-61-61.3-67.900115E629 S691E629-Q631 VanDerWaalsContact C-N 3.25Å; E629-Q631 PolarHBondContact O-N 3.1Å; Q631-S691 VanDerWaalsContact CD-C 3.43Å; Q631-S691 WeakPolarHBondContact CG-O 3.25Å; Q631-S691 PolarHBondContact NE2-O 3.37Å
632K87.9Confident91.6Very high102 Ų10250.2 Ų50.244%0.44322%0.222SC..EExtended strand (participates in β ladder)trans-115.9145.1171.8-65.2-167.9175.3-157.30110.2E16 V628 E629 K630E16-K632 IonicContact OE2-NZ 2.75Å; V628-K632 WeakPolarHBondContact CA-O 3.45Å; V628-K632 WeakPolarHBondContact CG1-O 3.31Å; E629-K632 PolarHBondContact N-O 3.28Å; E629-K632 PolarHBondContact O-N 3.31Å; E629-K632 VanDerWaalsContact O-O 3.05Å; K630-K632 PolarHBondContact O-N 3.32Å
633L90.8Very high91.3Very high33 Ų3350.5 Ų50.517%0.17322%0.223CC..EExtended strand (participates in β ladder)trans-81.3134.2179.9-159.7135.8000109.4W22 L626 L635 P679 L682 C696W22-L633 HydrophobicContact CH2-CD1 4.47Å; W22-L633 HydrophobicContact CZ3-CD2 4.34Å; L626-L633 HydrophobicContact CB-CD1 4.49Å; L626-L633 HydrophobicContact CD1-CD1 4.36Å; L626-L633 HydrophobicContact CD1-CD2 4.5Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 HydrophobicContact CD2-CB 3.35Å; L633-L635 HydrophobicContact CD2-CD2 4.43Å; L633-L635 HydrophobicContact CD2-CG 4.46Å; L633-P679 HydrophobicContact CD1-CB 4.12Å; L633-P679 HydrophobicContact CD1-CG 3.84Å; L633-L682 HydrophobicContact CB-CD1 4.39Å; L633-L682 HydrophobicContact CD1-CD1 4.12Å; L633-C696 HydrophobicContact CD1-CB 3.88Å
634L91.8Very high90.9Very high55 Ų5555.8 Ų55.829%0.28825%0.246SC..SBendtrans-78-21.1-173.5-147.275.9000113I627 E629 K636 G660 V661I627-L634 HydrophobicContact CG2-CD2 4.44Å; I627-L634 PolarHBondContact O-N 3.22Å; I627-L634 VanDerWaalsContact O-N 3.1Å; E629-L634 HydrophobicContact CB-CD1 4.27Å; E629-L634 HydrophobicContact CG-CD1 4.23Å; L634-K636 PolarHBondContact O-N 3.27Å; L634-G660 WeakPolarHBondContact CD2-O 3.34Å; L634-V661 HydrophobicContact CB-CG1 4.36Å; L634-V661 HydrophobicContact CD2-CG1 4.36Å; L634-V661 HydrophobicContact CG-CG1 4.45Å
635L91.6Very high90.6Very high5 Ų561 Ų613%0.02627%0.27CS..  trans-71.2117.2171.6-175.375.2000110I17 W22 V29 L626 L633 H639 I640 L656 V661I17-L635 HydrophobicContact CD1-CD2 4.42Å; I17-L635 HydrophobicContact CD1-CG 4.33Å; W22-L635 HydrophobicContact CZ3-CD2 4.22Å; V29-L635 HydrophobicContact CG2-CD2 4Å; L626-L635 HydrophobicContact CD2-CB 4.22Å; L626-L635 HydrophobicContact CD2-CD2 4Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 HydrophobicContact CD2-CB 3.35Å; L633-L635 HydrophobicContact CD2-CD2 4.43Å; L633-L635 HydrophobicContact CD2-CG 4.46Å; L635-H639 HydrophobicContact CD1-CB 3.81Å; L635-I640 HydrophobicContact CD1-CD1 4.37Å; L635-I640 HydrophobicContact CD2-CD1 3.95Å; L635-I640 HydrophobicContact CG-CD1 4.28Å; L635-L656 HydrophobicContact CD1-CD1 3.92Å; L635-V661 HydrophobicContact CD1-CG2 4.22Å
636K90.9Very high89.9Confident81 Ų8164.6 Ų64.635%0.35228%0.284SS..  trans-103.6167.4177.9-57.9-169.4178-168.40112.5D15 L634 R638 H639D15-K636 HydrophobicContact CB-CD 4.42Å; D15-K636 WeakPolarHBondContact OD2-CD 3.45Å; L634-K636 PolarHBondContact O-N 3.27Å; K636-R638 VanDerWaalsContact C-N 3.31Å; K636-R638 PolarHBondContact O-N 2.7Å; K636-H639 PolarHBondContact N-ND1 3.2Å; K636-H639 PolarHBondContact O-N 3.18Å
637R89.3Confident88.9Confident127 Ų12772.8 Ų72.848%0.47932%0.322SS..Hα-helixtrans-60.9-37.5178.6173.5-177.7178.1177.31.4112.4D15 I17 H639 I640 D641D15-R637 PolarHBondContact O-N 3.31Å; D15-R637 VanDerWaalsContact O-N 3.08Å; D15-R637 WeakPolarHBondContact OD1-CB 3.44Å; D15-R637 PolarHBondContact OD1-N 2.82Å; I17-R637 HydrophobicContact CG1-CB 4.29Å; R637-H639 VanDerWaalsContact C-N 3.28Å; R637-H639 PolarHBondContact O-N 3.45Å; R637-I640 WeakPolarHBondContact O-CA 3.22Å; R637-I640 WeakPolarHBondContact O-CB 3.4Å; R637-I640 PolarHBondContact O-N 3.14Å; R637-D641 IonicContact NE-OD2 3.56Å; R637-D641 PolarHBondContact O-N 2.76Å
638R89.9Confident88.2Confident154 Ų15482.5 Ų82.558%0.58136%0.36SS*.Hα-helixtrans-47.9-45.6172.2-179.8179.6170.586-0.8113.8D15 K636 I640 D641 Q642D15-R638 PolarHBondContact OD1-N 2.86Å; K636-R638 VanDerWaalsContact C-N 3.31Å; K636-R638 PolarHBondContact O-N 2.7Å; R638-I640 VanDerWaalsContact C-N 3.31Å; R638-I640 PolarHBondContact O-N 3.04Å; R638-D641 PolarHBondContact O-N 2.97Å; R638-Q642 WeakPolarHBondContact O-CG 3.35Å; R638-Q642 PolarHBondContact O-N 2.77Å
639H90.7Very high87.4Confident30 Ų3086.4 Ų86.414%0.13938%0.381CS..Hα-helixtrans-65.3-36.8179.8-56.9139.1000111.8L635 K636 R637 L643 L656L635-H639 HydrophobicContact CD1-CB 3.81Å; K636-H639 PolarHBondContact N-ND1 3.2Å; K636-H639 PolarHBondContact O-N 3.18Å; R637-H639 VanDerWaalsContact C-N 3.28Å; R637-H639 PolarHBondContact O-N 3.45Å; H639-L643 VanDerWaalsContact O-CG 3.26Å; H639-L643 WeakPolarHBondContact O-CG 3.35Å; H639-L643 PolarHBondContact O-N 2.95Å; H639-L656 HydrophobicContact CB-CD1 4.14Å
640I91Very high87Confident7 Ų788.5 Ų88.54%0.03640%0.395CS..Hα-helixtrans-67.4-42.7178.1-57.6-58.2000110.8I17 A25 I28 V29 L635 R637 R638 L643 K644I17-I640 HydrophobicContact CD1-CG1 3.96Å; A25-I640 HydrophobicContact CB-CD1 3.97Å; A25-I640 HydrophobicContact CB-CG1 4.05Å; A25-I640 HydrophobicContact CB-CG2 4.3Å; I28-I640 HydrophobicContact CD1-CG2 3.93Å; V29-I640 HydrophobicContact CG2-CD1 3.62Å; L635-I640 HydrophobicContact CD1-CD1 4.37Å; L635-I640 HydrophobicContact CD2-CD1 3.95Å; L635-I640 HydrophobicContact CG-CD1 4.28Å; R637-I640 WeakPolarHBondContact O-CA 3.22Å; R637-I640 WeakPolarHBondContact O-CB 3.4Å; R637-I640 PolarHBondContact O-N 3.14Å; R638-I640 VanDerWaalsContact C-N 3.31Å; R638-I640 PolarHBondContact O-N 3.04Å; I640-L643 PolarHBondContact O-N 3.38Å; I640-K644 WeakPolarHBondContact O-CG 3.31Å; I640-K644 PolarHBondContact O-N 2.88Å
641D89.8Confident87.1Confident51 Ų5180 Ų8027%0.27336%0.358SS..Hα-helixtrans-68-37.8179.6-68.6-24.2000111R637 R638 L643 K644 E645R637-D641 IonicContact NE-OD2 3.56Å; R637-D641 PolarHBondContact O-N 2.76Å; R638-D641 PolarHBondContact O-N 2.97Å; D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 2.93Å; D641-K644 PolarHBondContact O-N 3.03Å; D641-K644 IonicContact OD1-NZ 2.78Å; D641-K644 PolarHBondContact OD1-NZ 3.02Å; D641-E645 WeakPolarHBondContact O-CG 3.41Å; D641-E645 PolarHBondContact O-N 3.35Å
642Q89.8Confident87.3Confident35 Ų3578.8 Ų78.816%0.16436%0.355CS..Hα-helixtrans-60.4-39.1169.2-71.6174.6-28.400113R638 E645 R646 Y651R638-Q642 WeakPolarHBondContact O-CG 3.35Å; R638-Q642 PolarHBondContact O-N 2.77Å; Q642-E645 CarbonylContact O-C 3.6Å; Q642-E645 PolarHBondContact O-N 3.41Å; Q642-R646 PolarHBondContact O-N 3Å; Q642-Y651 HydrophobicContact CB-CD1 3.85Å; Q642-Y651 HydrophobicContact CB-CE1 4.24Å; Q642-Y651 HydrophobicContact CB-CG 4.05Å
643L89.1Confident87.5Confident10 Ų1074 Ų745%0.05233%0.334CS..Hα-helixtrans-69.7-33176.3-74.1169.8000112.8I28 V29 H639 I640 D641 E645 R646 Y651 L656I28-L643 HydrophobicContact CG2-CB 3.83Å; V29-L643 HydrophobicContact CG2-CD1 3.98Å; H639-L643 VanDerWaalsContact O-CG 3.26Å; H639-L643 WeakPolarHBondContact O-CG 3.35Å; H639-L643 PolarHBondContact O-N 2.95Å; I640-L643 PolarHBondContact O-N 3.38Å; D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 2.93Å; L643-E645 VanDerWaalsContact C-N 3.35Å; L643-R646 WeakPolarHBondContact O-CB 3.36Å; L643-R646 PolarHBondContact O-N 3.32Å; L643-Y651 HydrophobicContact CD2-CD1 3.72Å; L643-Y651 HydrophobicContact CD2-CE1 4.16Å; L643-Y651 HydrophobicContact CG-CD1 3.93Å; L643-Y651 HydrophobicContact CG-CE1 4.16Å; L643-L656 HydrophobicContact CD1-CD1 4.38Å; L643-L656 HydrophobicContact CD1-CD2 4.26Å
644K87.8Confident87.5Confident120 Ų12077.6 Ų77.652%0.52235%0.35SS..Hα-helixtrans-67.4-38.1172.6-70.2173.8-167.7151.60111.5I28 I640 D641 R646I28-K644 HydrophobicContact CD1-CD 4.28Å; I28-K644 VanDerWaalsContact CD1-CE 3.47Å; I28-K644 HydrophobicContact CD1-CG 3.91Å; I28-K644 HydrophobicContact CG2-CG 4.46Å; I640-K644 WeakPolarHBondContact O-CG 3.31Å; I640-K644 PolarHBondContact O-N 2.88Å; D641-K644 PolarHBondContact O-N 3.03Å; D641-K644 IonicContact OD1-NZ 2.78Å; D641-K644 PolarHBondContact OD1-NZ 3.02Å; K644-R646 PolarHBondContact O-N 3.09Å
645E88.9Confident87.5Confident113 Ų11378 Ų7853%0.52835%0.352SS..THydrogen-bonded Turntrans-82.88.6177.6-66.3179.9-179.800113.4D641 Q642 L643 E647 Y648 N649D641-E645 WeakPolarHBondContact O-CG 3.41Å; D641-E645 PolarHBondContact O-N 3.35Å; Q642-E645 CarbonylContact O-C 3.6Å; Q642-E645 PolarHBondContact O-N 3.41Å; L643-E645 VanDerWaalsContact C-N 3.35Å; E645-E647 PolarHBondContact O-N 3.09Å; E645-E647 VanDerWaalsContact O-N 3.1Å; E645-Y648 PolarHBondContact O-N 2.88Å; E645-N649 PolarHBondContact O-N 3.13Å
646R81.1Confident87.5Confident75 Ų7577.7 Ų77.728%0.28335%0.351SS..Hα-helixtrans-52.3-35.5-176.9170.2174.1172.6-120.93.6113.8D35 Q642 L643 K644 Y648 N650 Y651D35-R646 VanDerWaalsContact CB-NH1 3.32Å; D35-R646 IonicContact OD2-CZ 2.74Å; D35-R646 IonicContact OD2-NH1 3.09Å; D35-R646 PolarHBondContact OD2-NH1 3Å; Q642-R646 PolarHBondContact O-N 3Å; L643-R646 WeakPolarHBondContact O-CB 3.36Å; L643-R646 PolarHBondContact O-N 3.32Å; K644-R646 PolarHBondContact O-N 3.09Å; R646-Y648 PolarHBondContact O-N 3.45Å; R646-Y648 VanDerWaalsContact O-N 3.13Å; R646-N650 PolarHBondContact O-N 3.24Å; R646-N650 VanDerWaalsContact O-N 3.07Å; R646-Y651 WeakPolarHBondContact CD-O 3.37Å; R646-Y651 WeakPolarHBondContact CG-O 3.33Å
647E75.7Confident87.6Confident174 Ų17474.3 Ų74.381%0.81334%0.336SS*.Hα-helixtrans-59.4-22.8177.9-65.2-172170.400112.9E645E645-E647 PolarHBondContact O-N 3.09Å; E645-E647 VanDerWaalsContact O-N 3.1Å
648Y80.8Confident87.6Confident203 Ų20370.4 Ų70.480%0.79633%0.331SS*.Hα-helixtrans-111.4-38.7179.6-55.7-80.9000113.2E645 R646E645-Y648 PolarHBondContact O-N 2.88Å; R646-Y648 PolarHBondContact O-N 3.45Å; R646-Y648 VanDerWaalsContact O-N 3.13Å
649N77.1Confident87.6Confident91 Ų9165.9 Ų65.949%0.48732%0.323SS..Hα-helixtrans-94.7-3.3-171.9-159.17.1000113.8E645 Y651E645-N649 PolarHBondContact O-N 3.13Å; N649-Y651 PolarHBondContact O-N 2.99Å
650N81.5Confident87.5Confident137 Ų13764.8 Ų64.873%0.73332%0.321SS*.  trans54.523.7179.9-161.732.5000115R646 S652R646-N650 PolarHBondContact O-N 3.24Å; R646-N650 VanDerWaalsContact O-N 3.07Å; N650-S652 PolarHBondContact O-N 3.17Å
651Y87.5Confident87.6Confident27 Ų2764.6 Ų64.611%0.10632%0.32CS..  trans-73.3116177.4-164.7-107.9000110.3Q642 L643 R646 N649 D655 L656 S659Q642-Y651 HydrophobicContact CB-CD1 3.85Å; Q642-Y651 HydrophobicContact CB-CE1 4.24Å; Q642-Y651 HydrophobicContact CB-CG 4.05Å; L643-Y651 HydrophobicContact CD2-CD1 3.72Å; L643-Y651 HydrophobicContact CD2-CE1 4.16Å; L643-Y651 HydrophobicContact CG-CD1 3.93Å; L643-Y651 HydrophobicContact CG-CE1 4.16Å; R646-Y651 WeakPolarHBondContact CD-O 3.37Å; R646-Y651 WeakPolarHBondContact CG-O 3.33Å; N649-Y651 PolarHBondContact O-N 2.99Å; Y651-D655 HydrophobicContact CD2-CB 3.82Å; Y651-D655 HydrophobicContact CE2-CB 3.6Å; Y651-D655 HydrophobicContact CG-CB 4.46Å; Y651-L656 HydrophobicContact CE1-CD1 4.25Å; Y651-S659 PolarHBondContact OH-OG 3.31Å
652S89.9Confident87.8Confident25 Ų2562.3 Ų62.318%0.17531%0.308CS..  trans-103.6172.7-170.269.40000113.3N650 Q654 D655 L656N650-S652 PolarHBondContact O-N 3.17Å; S652-Q654 PolarHBondContact O-N 3.23Å; S652-Q654 PolarHBondContact OG-N 2.92Å; S652-D655 WeakPolarHBondContact CB-OD2 3.46Å; S652-D655 PolarHBondContact N-OD2 3.3Å; S652-D655 PolarHBondContact O-N 2.86Å; S652-D655 VanDerWaalsContact OG-CG 3.24Å; S652-D655 PolarHBondContact OG-N 2.61Å; S652-D655 PolarHBondContact OG-OD2 2.94Å; S652-L656 PolarHBondContact O-N 3.2Å
653W92.9Very high88Confident2 Ų261 Ų611%0.00830%0.301CS..Hα-helixtrans-64.7-36171.3165-92.3000110.5V29 Y33 E36 P624 D655 L656 V657 V662 Y664 I698V29-W653 HydrophobicContact CG1-CE3 4.49Å; V29-W653 HydrophobicContact CG1-CZ3 3.73Å; Y33-W653 AromaticContact CD2-CD2 3.92Å; Y33-W653 HydrophobicContact CD2-CD2 3.92Å; Y33-W653 AromaticContact CD2-CE2 3.55Å; Y33-W653 HydrophobicContact CD2-CE3 4.37Å; Y33-W653 HydrophobicContact CD2-CG 4.4Å; Y33-W653 HydrophobicContact CD2-CH2 4.1Å; Y33-W653 AromaticContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ3 4.46Å; Y33-W653 AromaticContact CD2-NE1 3.84Å; Y33-W653 HydrophobicContact CE2-CZ2 4.28Å; E36-W653 HydrophobicContact CB-CB 4.28Å; E36-W653 WeakPolarHBondContact OE2-CA 3.3Å; E36-W653 VanDerWaalsContact OE2-CB 3.26Å; E36-W653 WeakPolarHBondContact OE2-CB 3.5Å; E36-W653 PolarHBondContact OE2-N 2.72Å; P624-W653 HydrophobicContact CB-CH2 3.86Å; P624-W653 HydrophobicContact CB-CZ2 3.63Å; P624-W653 HydrophobicContact CG-CH2 4.26Å; P624-W653 HydrophobicContact CG-CZ2 4.12Å; W653-D655 VanDerWaalsContact C-N 3.32Å; W653-D655 PolarHBondContact O-N 3.2Å; W653-L656 HydrophobicContact CE3-CD2 3.9Å; W653-L656 HydrophobicContact CZ3-CD2 3.91Å; W653-L656 VanDerWaalsContact O-CB 3.31Å; W653-L656 WeakPolarHBondContact O-CB 3.47Å; W653-L656 PolarHBondContact O-N 3.47Å; W653-L656 VanDerWaalsContact O-N 3.15Å; W653-V657 HydrophobicContact CD2-CG2 4.36Å; W653-V657 HydrophobicContact CZ2-CG2 4.04Å; W653-V657 WeakPolarHBondContact O-CG2 3.49Å; W653-V657 PolarHBondContact O-N 3.37Å; W653-V662 HydrophobicContact CH2-CB 4.28Å; W653-V662 HydrophobicContact CH2-CG1 3.59Å; W653-V662 HydrophobicContact CH2-CG2 4.03Å; W653-V662 HydrophobicContact CZ2-CG1 3.67Å; W653-V662 HydrophobicContact CZ3-CG2 4.34Å; W653-Y664 PolarHBondContact NE1-OH 3.19Å; W653-Y664 VanDerWaalsContact NE1-OH 3.1Å; W653-I698 HydrophobicContact CH2-CD1 4.3Å
654Q91.1Very high88.3Confident108 Ų10861.1 Ų61.151%0.50530%0.301SS..Hα-helixtrans-60.8-38.8175.4-171.2160.6-7.100112.8E36 S652 L656 V657 A658E36-Q654 PolarHBondContact OE2-N 2.85Å; S652-Q654 PolarHBondContact O-N 3.23Å; S652-Q654 PolarHBondContact OG-N 2.92Å; Q654-L656 VanDerWaalsContact C-N 3.31Å; Q654-L656 PolarHBondContact O-N 3.46Å; Q654-V657 PolarHBondContact O-N 3.18Å; Q654-A658 WeakPolarHBondContact O-CB 3.45Å; Q654-A658 PolarHBondContact O-N 3.12Å
655D91.1Very high88.8Confident62 Ų6255.4 Ų55.433%0.33228%0.276SS..Hα-helixtrans-66-35.3174.6-57.8-52000111.9Y651 S652 W653 A658 S659Y651-D655 HydrophobicContact CD2-CB 3.82Å; Y651-D655 HydrophobicContact CE2-CB 3.6Å; Y651-D655 HydrophobicContact CG-CB 4.46Å; S652-D655 WeakPolarHBondContact CB-OD2 3.46Å; S652-D655 PolarHBondContact N-OD2 3.3Å; S652-D655 PolarHBondContact O-N 2.86Å; S652-D655 VanDerWaalsContact OG-CG 3.24Å; S652-D655 PolarHBondContact OG-N 2.61Å; S652-D655 PolarHBondContact OG-OD2 2.94Å; W653-D655 VanDerWaalsContact C-N 3.32Å; W653-D655 PolarHBondContact O-N 3.2Å; D655-A658 PolarHBondContact O-N 3.24Å; D655-S659 WeakPolarHBondContact O-CB 3.26Å; D655-S659 PolarHBondContact O-N 3.32Å; D655-S659 PolarHBondContact O-OG 3.07Å
656L91.6Very high89.1Confident0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-64.5-41.1174.4-166.770.5000111.5V29 L635 H639 L643 Y651 S652 W653 Q654 S659 V661 V662V29-L656 HydrophobicContact CG1-CD2 3.95Å; L635-L656 HydrophobicContact CD1-CD1 3.92Å; H639-L656 HydrophobicContact CB-CD1 4.14Å; L643-L656 HydrophobicContact CD1-CD1 4.38Å; L643-L656 HydrophobicContact CD1-CD2 4.26Å; Y651-L656 HydrophobicContact CE1-CD1 4.25Å; S652-L656 PolarHBondContact O-N 3.2Å; W653-L656 HydrophobicContact CE3-CD2 3.9Å; W653-L656 HydrophobicContact CZ3-CD2 3.91Å; W653-L656 VanDerWaalsContact O-CB 3.31Å; W653-L656 WeakPolarHBondContact O-CB 3.47Å; W653-L656 PolarHBondContact O-N 3.47Å; W653-L656 VanDerWaalsContact O-N 3.15Å; Q654-L656 VanDerWaalsContact C-N 3.31Å; Q654-L656 PolarHBondContact O-N 3.46Å; L656-S659 PolarHBondContact O-N 3.08Å; L656-V661 HydrophobicContact CD1-CG2 3.44Å; L656-V661 VanDerWaalsContact CD1-CG2 3.44Å; L656-V661 HydrophobicContact CG-CG2 3.54Å; L656-V661 WeakPolarHBondContact O-CG2 3.36Å; L656-V662 HydrophobicContact CD2-CG2 4.16Å; L656-V662 HydrophobicContact CG-CG2 4.45Å
657V92.1Very high89.9Confident9 Ų946.9 Ų46.96%0.05524%0.24CC..Hα-helixtrans-69.8-39.1175.1-174.20000110.7M594 W653 Q654 S659 G660 V662 Y664M594-V657 HydrophobicContact CE-CB 3.35Å; M594-V657 HydrophobicContact CE-CG1 3.14Å; W653-V657 HydrophobicContact CD2-CG2 4.36Å; W653-V657 HydrophobicContact CZ2-CG2 4.04Å; W653-V657 WeakPolarHBondContact O-CG2 3.49Å; W653-V657 PolarHBondContact O-N 3.37Å; Q654-V657 PolarHBondContact O-N 3.18Å; V657-S659 VanDerWaalsContact C-N 3.26Å; V657-S659 PolarHBondContact O-N 3.19Å; V657-G660 PolarHBondContact O-N 3.3Å; V657-V662 HydrophobicContact CG2-CB 4.4Å; V657-V662 HydrophobicContact CG2-CG1 4.4Å; V657-Y664 HydrophobicContact CG2-CE2 4.36Å
658A89.8Confident90.8Very high45 Ų4539 Ų3937%0.37220%0.204SC..Hα-helixtrans-66.8-27.3177.600000113M594 Q654 D655 G660M594-A658 HydrophobicContact CE-CB 4.42Å; M594-A658 HydrophobicContact SD-CB 4.22Å; Q654-A658 WeakPolarHBondContact O-CB 3.45Å; Q654-A658 PolarHBondContact O-N 3.12Å; D655-A658 PolarHBondContact O-N 3.24Å; A658-G660 PolarHBondContact O-N 3.06Å
659S89.8Confident91.6Very high59 Ų5929.4 Ų29.441%0.41317%0.166SC..THydrogen-bonded Turntrans-70.9-5.3171.1-59.30000113.1Y651 D655 L656 V657 V661Y651-S659 PolarHBondContact OH-OG 3.31Å; D655-S659 WeakPolarHBondContact O-CB 3.26Å; D655-S659 PolarHBondContact O-N 3.32Å; D655-S659 PolarHBondContact O-OG 3.07Å; L656-S659 PolarHBondContact O-N 3.08Å; V657-S659 VanDerWaalsContact C-N 3.26Å; V657-S659 PolarHBondContact O-N 3.19Å; S659-V661 VanDerWaalsContact C-N 3.32Å; S659-V661 PolarHBondContact O-N 3.28Å
660G89.9Confident92.5Very high8 Ų826.5 Ų26.58%0.08215%0.15CC..THydrogen-bonded Turntrans70.323.6176.100000114.4I627 L634 V657 A658I627-G660 WeakPolarHBondContact CD1-O 3.35Å; L634-G660 WeakPolarHBondContact CD2-O 3.34Å; V657-G660 PolarHBondContact O-N 3.3Å; A658-G660 PolarHBondContact O-N 3.06Å
661V92.3Very high93.1Very high3 Ų325.4 Ų25.42%0.01814%0.14CC..SBendtrans-93.2-21.3177-64.50000113.6I627 L634 L635 L656 S659I627-V661 PolarHBondContact N-O 2.77Å; L634-V661 HydrophobicContact CB-CG1 4.36Å; L634-V661 HydrophobicContact CD2-CG1 4.36Å; L634-V661 HydrophobicContact CG-CG1 4.45Å; L635-V661 HydrophobicContact CD1-CG2 4.22Å; L656-V661 HydrophobicContact CD1-CG2 3.44Å; L656-V661 VanDerWaalsContact CD1-CG2 3.44Å; L656-V661 HydrophobicContact CG-CG2 3.54Å; L656-V661 WeakPolarHBondContact O-CG2 3.36Å; S659-V661 VanDerWaalsContact C-N 3.32Å; S659-V661 PolarHBondContact O-N 3.28Å
662V94.5Very high93.4Very high3 Ų327.1 Ų27.12%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-124.7139.9178.4171.60000109.7P624 L625 L626 W653 L656 V657P624-V662 HydrophobicContact CB-CG1 3.72Å; L625-V662 CarbonylContact O-C 3.22Å; L625-V662 VanDerWaalsContact O-CA 3.28Å; L625-V662 WeakPolarHBondContact O-CA 3.43Å; L625-V662 WeakPolarHBondContact O-CG1 3.25Å; L626-V662 HydrophobicContact CD2-CG2 3.72Å; W653-V662 HydrophobicContact CH2-CB 4.28Å; W653-V662 HydrophobicContact CH2-CG1 3.59Å; W653-V662 HydrophobicContact CH2-CG2 4.03Å; W653-V662 HydrophobicContact CZ2-CG1 3.67Å; W653-V662 HydrophobicContact CZ3-CG2 4.34Å; L656-V662 HydrophobicContact CD2-CG2 4.16Å; L656-V662 HydrophobicContact CG-CG2 4.45Å; V657-V662 HydrophobicContact CG2-CB 4.4Å; V657-V662 HydrophobicContact CG2-CG1 4.4Å
663E94.2Very high93.7Very high7 Ų726.9 Ų26.93%0.03315%0.151CC..EExtended strand (participates in β ladder)trans-129.4144.2177.1-160.2165.4171.200111.2R591 R592 P624 L625 I627 I665 H695R591-E663 WeakPolarHBondContact CD-OE1 3.41Å; R591-E663 IonicContact CZ-OE1 2.67Å; R591-E663 IonicContact NE-OE1 3.45Å; R591-E663 IonicContact NH1-OE1 2.7Å; R591-E663 PolarHBondContact NH1-OE1 3.36Å; R592-E663 IonicContact CZ-OE2 3.96Å; R592-E663 IonicContact NE-OE2 3.12Å; R592-E663 PolarHBondContact NE-OE2 3.38Å; R592-E663 VanDerWaalsContact NE-OE2 3.17Å; R592-E663 IonicContact NH2-OE2 3.8Å; R592-E663 PolarHBondContact NH2-OE2 2.84Å; P624-E663 CarbonylContact C-O 3.53Å; P624-E663 WeakPolarHBondContact CA-O 3.36Å; L625-E663 PolarHBondContact N-O 3.28Å; L625-E663 PolarHBondContact O-N 3.44Å; I627-E663 HydrophobicContact CD1-CB 3.97Å; I627-E663 HydrophobicContact CG1-CB 4.06Å; E663-I665 HydrophobicContact CB-CD1 4.24Å; E663-I665 HydrophobicContact CG-CD1 3.94Å; E663-H695 IonicContact OE2-NE2 2.84Å
664Y95.7Very high93.8Very high12 Ų1229.8 Ų29.85%0.04717%0.165CC..EExtended strand (participates in β ladder)trans-89.2103.6176.9-80.3-84.5000111Y531 R591 R623 P624 W653 V657Y531-Y664 HydrophobicContact CD1-CD1 4.44Å; Y531-Y664 HydrophobicContact CD1-CE1 4.35Å; Y531-Y664 HydrophobicContact CG-CE1 4.25Å; R591-Y664 PolarHBondContact NH2-O 2.73Å; R623-Y664 CarbonylContact O-C 3.55Å; P624-Y664 HydrophobicContact CB-CD1 4.19Å; P624-Y664 HydrophobicContact CB-CE1 4.03Å; P624-Y664 HydrophobicContact CG-CE1 4.24Å; W653-Y664 PolarHBondContact NE1-OH 3.19Å; W653-Y664 VanDerWaalsContact NE1-OH 3.1Å; V657-Y664 HydrophobicContact CG2-CE2 4.36Å
665I96.9Very high94Very high0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-95.4127.2-177.4-57.4-54.7000109.8C622 R623 L625 E663 E669 E670 V673C622-I665 CarbonylContact C-O 3.59Å; C622-I665 WeakPolarHBondContact CA-O 3.43Å; C622-I665 VanDerWaalsContact CB-O 3.24Å; C622-I665 WeakPolarHBondContact CB-O 3.43Å; R623-I665 PolarHBondContact N-O 3Å; R623-I665 PolarHBondContact O-N 2.87Å; L625-I665 HydrophobicContact CB-CG1 4.45Å; L625-I665 HydrophobicContact CD1-CB 3.93Å; L625-I665 HydrophobicContact CD1-CG1 3.83Å; L625-I665 HydrophobicContact CD1-CG2 4.46Å; L625-I665 HydrophobicContact CG-CG1 4.46Å; E663-I665 HydrophobicContact CB-CD1 4.24Å; E663-I665 HydrophobicContact CG-CD1 3.94Å; I665-E669 HydrophobicContact CD1-CG 4.17Å; I665-E669 HydrophobicContact CG2-CB 3.98Å; I665-E669 HydrophobicContact CG2-CG 4.05Å; I665-E670 HydrophobicContact CG2-CB 4.16Å; I665-V673 HydrophobicContact CG2-CG2 4.28Å
666D96.6Very high94.1Very high5 Ų523.6 Ų23.63%0.02714%0.136CC..EExtended strand (participates in β ladder)trans-88.4170172.884.40.6000112.1S602 R620 I621 C622 L668 E669 E670S602-D666 VanDerWaalsContact CB-CG 3.42Å; S602-D666 WeakPolarHBondContact CB-OD2 3.33Å; S602-D666 PolarHBondContact OG-OD1 3.16Å; S602-D666 PolarHBondContact OG-OD2 3.11Å; R620-D666 WeakPolarHBondContact CD-OD2 3.01Å; R620-D666 IonicContact NH1-OD2 2.71Å; R620-D666 PolarHBondContact NH1-OD2 2.84Å; I621-D666 WeakPolarHBondContact O-CA 3.42Å; I621-D666 WeakPolarHBondContact O-CB 3.36Å; C622-D666 HydrophobicContact CB-CB 3.83Å; D666-L668 PolarHBondContact O-N 2.75Å; D666-L668 VanDerWaalsContact O-N 3.17Å; D666-L668 PolarHBondContact OD1-N 2.66Å; D666-L668 VanDerWaalsContact OD1-N 3.1Å; D666-E669 PolarHBondContact O-N 2.79Å; D666-E669 WeakPolarHBondContact OD1-CB 3.37Å; D666-E669 PolarHBondContact OD1-N 2.74Å; D666-E670 WeakPolarHBondContact O-CB 3.29Å; D666-E670 PolarHBondContact O-N 3.32Å
667T96.8Very high94.1Very high5 Ų527.3 Ų27.33%0.03115%0.154CC..THydrogen-bonded Turntrans-63.5-23.9-173.8-34.90000113.9T504 I621T504-T667 HydrophobicContact CG2-CG2 4.38Å; T504-T667 WeakPolarHBondContact O-CG2 3.06Å; I621-T667 WeakPolarHBondContact CG2-OG1 3.45Å
668L95.9Very high93.9Very high8 Ų829.2 Ų29.24%0.04217%0.166CC..THydrogen-bonded Turntrans-87.3-36.4-178.7-161.871.6000110.8I604 Y615 D666 E670 E671I604-L668 HydrophobicContact CD1-CB 4.23Å; I604-L668 HydrophobicContact CD1-CD2 3.8Å; I604-L668 HydrophobicContact CD1-CG 4.21Å; I604-L668 HydrophobicContact CG1-CB 4.15Å; I604-L668 HydrophobicContact CG1-CD2 4.12Å; I604-L668 HydrophobicContact CG1-CG 4.03Å; Y615-L668 HydrophobicContact CD2-CD2 4.12Å; Y615-L668 HydrophobicContact CE2-CD2 3.48Å; Y615-L668 VanDerWaalsContact CE2-CD2 3.48Å; D666-L668 PolarHBondContact O-N 2.75Å; D666-L668 VanDerWaalsContact O-N 3.17Å; D666-L668 PolarHBondContact OD1-N 2.66Å; D666-L668 VanDerWaalsContact OD1-N 3.1Å; L668-E670 VanDerWaalsContact C-N 3.29Å; L668-E671 PolarHBondContact O-N 3.16Å
669E95.6Very high93.8Very high2 Ų227.8 Ų27.81%0.00915%0.153CC..G310 helixtrans-65.4-35.7170.5-171.6170.5-163.400111R591 I604 I665 D666 E671 T672 V673R591-E669 IonicContact CZ-OE2 3.21Å; R591-E669 IonicContact NH1-OE1 3.32Å; R591-E669 PolarHBondContact NH1-OE1 3.44Å; R591-E669 VanDerWaalsContact NH1-OE1 3.16Å; R591-E669 IonicContact NH1-OE2 3.61Å; R591-E669 PolarHBondContact NH1-OE2 2.97Å; R591-E669 IonicContact NH2-OE2 3.72Å; I604-E669 HydrophobicContact CG1-CB 4.19Å; I665-E669 HydrophobicContact CD1-CG 4.17Å; I665-E669 HydrophobicContact CG2-CB 3.98Å; I665-E669 HydrophobicContact CG2-CG 4.05Å; D666-E669 PolarHBondContact O-N 2.79Å; D666-E669 WeakPolarHBondContact OD1-CB 3.37Å; D666-E669 PolarHBondContact OD1-N 2.74Å; E669-E671 PolarHBondContact O-N 3.19Å; E669-E671 VanDerWaalsContact O-N 3.15Å; E669-T672 PolarHBondContact O-N 3.05Å; E669-T672 PolarHBondContact O-OG1 3.19Å; E669-V673 PolarHBondContact O-N 3.32Å
670E96.1Very high93.4Very high30 Ų3029.2 Ų29.214%0.1416%0.156CC..G310 helixtrans-55.1-28.6176.1-166.7165.3-159.100113.8M508 R623 I665 D666 L668 T672 V673 L675M508-E670 WeakPolarHBondContact CE-OE2 3.32Å; R623-E670 IonicContact CZ-OE1 2.73Å; R623-E670 IonicContact NE-OE1 2.95Å; R623-E670 PolarHBondContact NE-OE1 3.33Å; R623-E670 IonicContact NE-OE2 3.83Å; R623-E670 IonicContact NH2-OE1 3.62Å; R623-E670 PolarHBondContact NH2-OE1 3.3Å; I665-E670 HydrophobicContact CG2-CB 4.16Å; D666-E670 WeakPolarHBondContact O-CB 3.29Å; D666-E670 PolarHBondContact O-N 3.32Å; L668-E670 VanDerWaalsContact C-N 3.29Å; E670-T672 VanDerWaalsContact C-N 3.25Å; E670-T672 PolarHBondContact O-N 2.95Å; E670-V673 WeakPolarHBondContact O-CG2 3.31Å; E670-L675 HydrophobicContact CG-CD1 4.38Å
671E94.8Very high93Very high113 Ų11331.6 Ų31.653%0.52817%0.167SC..G310 helixtrans-67.6-24.8176.1-67.8-178.8-149.400113.3H387 L668 E669H387-E671 IonicContact CD2-OE1 3.43Å; H387-E671 IonicContact CE1-OE1 3.74Å; H387-E671 PolarHBondContact CE1-OE1 3.33Å; H387-E671 IonicContact ND1-OE1 2.76Å; H387-E671 IonicContact NE2-OE1 3.86Å; H387-E671 PolarHBondContact NE2-OE1 2.93Å; L668-E671 PolarHBondContact O-N 3.16Å; E669-E671 PolarHBondContact O-N 3.19Å; E669-E671 VanDerWaalsContact O-N 3.15Å
672T94.8Very high92.4Very high63 Ų6332.3 Ų32.339%0.38717%0.17SC..THydrogen-bonded Turntrans-103.1-15.6-173.564.80000113.9I604 E669 E670I604-T672 HydrophobicContact CG2-CG2 3.61Å; E669-T672 PolarHBondContact O-N 3.05Å; E669-T672 PolarHBondContact O-OG1 3.19Å; E670-T672 VanDerWaalsContact C-N 3.25Å; E670-T672 PolarHBondContact O-N 2.95Å
673V95.3Very high91.2Very high21 Ų2135.7 Ų35.713%0.12719%0.186CC..  trans-90.9151.4-179.4-68.60000111.2I665 E669 E670 L675I665-V673 HydrophobicContact CG2-CG2 4.28Å; E669-V673 PolarHBondContact O-N 3.32Å; E670-V673 WeakPolarHBondContact O-CG2 3.31Å; V673-L675 HydrophobicContact CB-CD1 4.35Å; V673-L675 HydrophobicContact CG2-CD1 3.53Å
674M95.1Very high89.8Confident63 Ų6342 Ų4231%0.3122%0.215SC..  trans-106.9115.8172-171.261.5-177.600109.2Y689 C690 Y693 T694 H695M674-Y689 HydrophobicContact CE-CD1 4.39Å; M674-Y689 HydrophobicContact CE-CE1 3.98Å; M674-C690 HydrophobicContact CE-CB 3.82Å; M674-Y693 HydrophobicContact CE-CE1 3.93Å; M674-Y693 HydrophobicContact CG-CD1 3.85Å; M674-Y693 HydrophobicContact CG-CE1 4.22Å; M674-T694 PolarHBondContact N-OG1 2.78Å; M674-T694 PolarHBondContact O-N 2.83Å; M674-T694 PolarHBondContact O-OG1 3.49Å; M674-H695 PolarHBondContact O-N 3.26Å
675L94.9Very high87.8Confident38 Ų3851.6 Ų51.620%0.19926%0.257CS..EExtended strand (participates in β ladder)trans-102.2135.1-176-67.488.5000112R623 L625 E670 V673 Y693 H695R623-L675 VanDerWaalsContact NH2-CD2 3.26Å; L625-L675 HydrophobicContact CD1-CD2 3.42Å; L625-L675 VanDerWaalsContact CD1-CD2 3.42Å; L625-L675 HydrophobicContact CD1-CG 4.2Å; L625-L675 HydrophobicContact CD2-CD2 4.04Å; L625-L675 HydrophobicContact CG-CD2 4.39Å; E670-L675 HydrophobicContact CG-CD1 4.38Å; V673-L675 HydrophobicContact CB-CD1 4.35Å; V673-L675 HydrophobicContact CG2-CD1 3.53Å; L675-Y693 WeakPolarHBondContact O-CE1 3.49Å; L675-H695 CarbonylContact C-O 3.44Å; L675-H695 WeakPolarHBondContact CA-O 3.42Å; L675-H695 HydrophobicContact CG-CB 4.37Å
676A93.1Very high86.2Confident1 Ų154.2 Ų54.21%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-88.7142.7164.500000110.3D681 L682 Y693 H695 C696 E697A676-D681 HydrophobicContact CB-CB 4.44Å; A676-L682 HydrophobicContact CB-CD2 3.69Å; A676-L682 HydrophobicContact CB-CG 4.05Å; A676-Y693 HydrophobicContact CB-CD1 3.72Å; A676-Y693 HydrophobicContact CB-CE1 3.99Å; A676-Y693 HydrophobicContact CB-CG 3.98Å; A676-H695 PolarHBondContact N-O 2.77Å; A676-C696 HydrophobicContact CB-CB 4.36Å; A676-C696 WeakPolarHBondContact O-CA 3.35Å; A676-E697 PolarHBondContact O-N 3.36Å
677M91.3Very high84.7Confident78 Ų7861.6 Ų61.638%0.38433%0.329SS..SBendtrans-81.2-38.2-178.4-75-62.2-63.700111.7W506 D681 E697 P700W506-M677 HydrophobicContact CH2-CE 4.34Å; W506-M677 HydrophobicContact CZ2-CE 3.86Å; W506-M677 HydrophobicContact CZ2-SD 4.22Å; M677-D681 WeakPolarHBondContact CB-OD2 3.46Å; M677-D681 PolarHBondContact N-OD2 3.09Å; M677-E697 HydrophobicContact SD-CG 4.26Å; M677-P700 HydrophobicContact CE-CB 4.17Å; M677-P700 HydrophobicContact CE-CG 3.97Å
678T88.6Confident83.3Confident49 Ų4964.2 Ų64.230%0.30135%0.351SS..SBendtrans-134.8158.5173.370.20000110D680 D681T678-D680 PolarHBondContact O-N 3.49Å; T678-D680 PolarHBondContact OG1-N 3.31Å; T678-D681 PolarHBondContact N-OD2 3.32Å; T678-D681 WeakPolarHBondContact O-CB 3.39Å; T678-D681 PolarHBondContact O-N 2.98Å; T678-D681 PolarHBondContact OG1-OD1 3.49Å
679P87.5Confident82.5Confident16 Ų1674.2 Ų74.210%0.10439%0.39CS..SBendtrans-66-19.8173.1-24.937.4000113.8W22 L633 D681 L682W22-P679 HydrophobicContact CD2-CG 3.54Å; W22-P679 VanDerWaalsContact CE2-CD 3.48Å; W22-P679 HydrophobicContact CE3-CG 3.91Å; W22-P679 HydrophobicContact CG-CG 4.08Å; W22-P679 HydrophobicContact CH2-CG 3.9Å; W22-P679 HydrophobicContact CZ2-CG 3.5Å; W22-P679 HydrophobicContact CZ3-CG 4.08Å; W22-P679 VanDerWaalsContact NE1-CD 3.29Å; L633-P679 HydrophobicContact CD1-CB 4.12Å; L633-P679 HydrophobicContact CD1-CG 3.84Å; P679-D681 VanDerWaalsContact C-N 3.26Å; P679-D681 PolarHBondContact O-N 3.27Å; P679-L682 VanDerWaalsContact O-CB 3.3Å; P679-L682 WeakPolarHBondContact O-CB 3.47Å; P679-L682 PolarHBondContact O-N 3.2Å; P679-L682 VanDerWaalsContact O-N 3.08Å
680D82.8Confident81.9Confident88 Ų8875 Ų7547%0.47140%0.396SS..Hα-helixtrans-63.8-36.4175.4-157.528.9000110.7T678 L682 Q683 E684T678-D680 PolarHBondContact O-N 3.49Å; T678-D680 PolarHBondContact OG1-N 3.31Å; D680-L682 PolarHBondContact O-N 3.13Å; D680-L682 VanDerWaalsContact O-N 3.1Å; D680-Q683 PolarHBondContact O-N 3.47Å; D680-E684 PolarHBondContact O-N 3.24Å; D680-E684 VanDerWaalsContact O-N 3.11Å
681D79.9Confident81.4Confident59 Ų5977.7 Ų77.732%0.31642%0.418SS..Hα-helixtrans-59-24.2173.6-51.5-23.4000112.9A676 M677 T678 P679A676-D681 HydrophobicContact CB-CB 4.44Å; M677-D681 WeakPolarHBondContact CB-OD2 3.46Å; M677-D681 PolarHBondContact N-OD2 3.09Å; T678-D681 PolarHBondContact N-OD2 3.32Å; T678-D681 WeakPolarHBondContact O-CB 3.39Å; T678-D681 PolarHBondContact O-N 2.98Å; T678-D681 PolarHBondContact OG1-OD1 3.49Å; P679-D681 VanDerWaalsContact C-N 3.26Å; P679-D681 PolarHBondContact O-N 3.27Å
682L79.3Confident81.2Confident17 Ų1777 Ų779%0.08942%0.421CS..Hα-helixtrans-81.5-27177.9-58171.7000112.2V628 L633 A676 P679 D680 Y693V628-L682 HydrophobicContact CG1-CD1 4.12Å; V628-L682 HydrophobicContact CG1-CD2 3.96Å; V628-L682 HydrophobicContact CG2-CD1 3.74Å; V628-L682 HydrophobicContact CG2-CD2 4.34Å; L633-L682 HydrophobicContact CB-CD1 4.39Å; L633-L682 HydrophobicContact CD1-CD1 4.12Å; A676-L682 HydrophobicContact CB-CD2 3.69Å; A676-L682 HydrophobicContact CB-CG 4.05Å; P679-L682 VanDerWaalsContact O-CB 3.3Å; P679-L682 WeakPolarHBondContact O-CB 3.47Å; P679-L682 PolarHBondContact O-N 3.2Å; P679-L682 VanDerWaalsContact O-N 3.08Å; D680-L682 PolarHBondContact O-N 3.13Å; D680-L682 VanDerWaalsContact O-N 3.1Å; L682-Y693 HydrophobicContact CD2-CD2 3.65Å; L682-Y693 HydrophobicContact CD2-CG 3.77Å
683Q70Confident81.1Confident75 Ų7575.6 Ų75.635%0.3541%0.409SS..Hα-helixtrans-97.2-19.2-173.6-66.5-175-6.800113.2D680 K685D680-Q683 PolarHBondContact O-N 3.47Å; Q683-K685 PolarHBondContact O-N 2.84Å
684E64.1Low81Confident140 Ų14077 Ų7765%0.65442%0.418SS*.  trans-66.1101.7-174.1-145.9-177.3-167.800112.2D680 G686D680-E684 PolarHBondContact O-N 3.24Å; D680-E684 VanDerWaalsContact O-N 3.11Å; E684-G686 PolarHBondContact O-N 2.96Å
685K54.3Low81.1Confident212 Ų21274.4 Ų74.492%0.92241%0.405SS*.  trans-72.519.9-177.6-63.2-176.3178.6174.50114.9Q683Q683-K685 PolarHBondContact O-N 2.84Å
686G64.1Low81.1Confident55 Ų5572.6 Ų72.657%0.56740%0.395SS*.SBendtrans-81-160.7-179.100000114.2E684 A688E684-G686 PolarHBondContact O-N 2.96Å; G686-A688 PolarHBondContact O-N 2.74Å
687V65.6Low81.2Confident161 Ų16173 Ų7398%0.97640%0.397SS*.SBendtrans-74.272.4167.5-1720000108.1
688A65.8Low81.3Confident60 Ų6069.3 Ų69.350%0.49638%0.379SS..  trans-66.9137.7-176.700000110.9G686 C690G686-A688 PolarHBondContact O-N 2.74Å; A688-C690 VanDerWaalsContact C-N 3.26Å; A688-C690 PolarHBondContact O-N 2.8Å
689Y80.1Confident81.7Confident217 Ų21767.6 Ų67.685%0.85137%0.368SS*.SBendtrans-63.2-32.4175.8168.9-100.2000112.3M674M674-Y689 HydrophobicContact CE-CD1 4.39Å; M674-Y689 HydrophobicContact CE-CE1 3.98Å
690C83.1Confident82Confident20 Ų2067.7 Ų67.714%0.13537%0.368CS..  trans-146.6146.1-177.5-172.50000110.8M674 A688 T692 Y693M674-C690 HydrophobicContact CE-CB 3.82Å; A688-C690 VanDerWaalsContact C-N 3.26Å; A688-C690 PolarHBondContact O-N 2.8Å; C690-T692 PolarHBondContact SG-N 2.93Å; C690-T692 PolarHBondContact SG-OG1 2.75Å; C690-T692 VanDerWaalsContact SG-OG1 3.38Å; C690-Y693 HydrophobicContact CB-CE1 4.37Å; C690-Y693 HydrophobicContact CB-CE2 4.04Å; C690-Y693 WeakPolarHBondContact O-CE2 3.44Å
691S84.8Confident82.7Confident86 Ų8663.5 Ų63.560%0.60135%0.346SS*.SBendtrans-127.715.2176.458.30000112.8Q631Q631-S691 VanDerWaalsContact CD-C 3.43Å; Q631-S691 WeakPolarHBondContact CG-O 3.25Å; Q631-S691 PolarHBondContact NE2-O 3.37Å
692T90.1Very high83.5Confident98 Ų9861.2 Ų61.260%0.60133%0.333SS*.  trans-127.937.6-174.458.60000111.5C690C690-T692 PolarHBondContact SG-N 2.93Å; C690-T692 PolarHBondContact SG-OG1 2.75Å; C690-T692 VanDerWaalsContact SG-OG1 3.38Å
693Y93.6Very high84.3Confident34 Ų3461 Ų6113%0.13333%0.332CS..  trans-59.1142170-64.5-73.6000111.6M674 L675 A676 L682 C690M674-Y693 HydrophobicContact CE-CE1 3.93Å; M674-Y693 HydrophobicContact CG-CD1 3.85Å; M674-Y693 HydrophobicContact CG-CE1 4.22Å; L675-Y693 WeakPolarHBondContact O-CE1 3.49Å; A676-Y693 HydrophobicContact CB-CD1 3.72Å; A676-Y693 HydrophobicContact CB-CE1 3.99Å; A676-Y693 HydrophobicContact CB-CG 3.98Å; L682-Y693 HydrophobicContact CD2-CD2 3.65Å; L682-Y693 HydrophobicContact CD2-CG 3.77Å; C690-Y693 HydrophobicContact CB-CE1 4.37Å; C690-Y693 HydrophobicContact CB-CE2 4.04Å; C690-Y693 WeakPolarHBondContact O-CE2 3.44Å
694T94.1Very high85.6Confident50 Ų5058.2 Ų58.231%0.30732%0.319SS..  trans-114.1-31.1-178.8590000112.3V628 M674V628-T694 PolarHBondContact N-O 3.38Å; M674-T694 PolarHBondContact N-OG1 2.78Å; M674-T694 PolarHBondContact O-N 2.83Å; M674-T694 PolarHBondContact O-OG1 3.49Å
695H95.8Very high87.1Confident8 Ų851.5 Ų51.54%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-140.5162.7-178.4-6685000110.4L625 L626 E663 M674 L675 A676L625-H695 HydrophobicContact CB-CB 4.22Å; L625-H695 HydrophobicContact CD1-CB 4.24Å; L626-H695 CarbonylContact O-C 3.55Å; L626-H695 WeakPolarHBondContact O-CA 3.21Å; L626-H695 WeakPolarHBondContact O-CB 3.36Å; E663-H695 IonicContact OE2-NE2 2.84Å; M674-H695 PolarHBondContact O-N 3.26Å; L675-H695 CarbonylContact C-O 3.44Å; L675-H695 WeakPolarHBondContact CA-O 3.42Å; L675-H695 HydrophobicContact CG-CB 4.37Å; A676-H695 PolarHBondContact N-O 2.77Å
696C94.7Very high89.1Confident0 Ų041.6 Ų41.60%025%0.245CC..EExtended strand (participates in β ladder)trans-131.8143.2173.8-171.50000110.3L626 V628 L633 A676L626-C696 HydrophobicContact CB-CB 4.37Å; L626-C696 PolarHBondContact N-O 3.24Å; L626-C696 PolarHBondContact O-N 3.46Å; V628-C696 HydrophobicContact CG2-CB 3.87Å; L633-C696 HydrophobicContact CD1-CB 3.88Å; A676-C696 HydrophobicContact CB-CB 4.36Å; A676-C696 WeakPolarHBondContact O-CA 3.35Å
697E95.4Very high90.7Very high9 Ų939 Ų394%0.04222%0.218CC..  trans-63.8137.2170.6-68.8-73.9-175.400110.7W506 R623 A676 M677W506-E697 PolarHBondContact NE1-OE1 2.66Å; R623-E697 IonicContact CZ-OE1 3.19Å; R623-E697 IonicContact CZ-OE2 2.74Å; R623-E697 IonicContact NH1-OE1 3.77Å; R623-E697 PolarHBondContact NH1-OE1 3.39Å; R623-E697 IonicContact NH1-OE2 2.76Å; R623-E697 PolarHBondContact NH1-OE2 2.94Å; R623-E697 IonicContact NH2-OE1 3.82Å; R623-E697 PolarHBondContact NH2-OE1 3.02Å; A676-E697 PolarHBondContact O-N 3.36Å; M677-E697 HydrophobicContact SD-CG 4.26Å
698I94.6Very high92.2Very high2 Ų231.3 Ų31.31%0.0117%0.172CC..SBendtrans-67.3-50.6174.3-58.1166.3000109.5C26 V29 I30 M529 P624 L626 W653C26-I698 HydrophobicContact CB-CG2 4.35Å; C26-I698 WeakPolarHBondContact CB-O 3.33Å; V29-I698 HydrophobicContact CG1-CG2 4.41Å; I30-I698 HydrophobicContact CD1-CG2 3.94Å; I30-I698 HydrophobicContact CG1-CG2 3.64Å; M529-I698 HydrophobicContact CE-CD1 3.73Å; M529-I698 HydrophobicContact SD-CD1 4.18Å; P624-I698 HydrophobicContact CB-CD1 4.44Å; P624-I698 HydrophobicContact CG-CD1 4.39Å; L626-I698 HydrophobicContact CD1-CB 4.45Å; L626-I698 HydrophobicContact CD1-CG1 3.99Å; L626-I698 HydrophobicContact CG-CG1 3.85Å; W653-I698 HydrophobicContact CH2-CD1 4.3Å
699H95.3Very high93.7Very high13 Ų1328.6 Ų28.66%0.0615%0.149CC..  trans-158.2134.7168.9-168.3-48.6000110.1W27 I30 S701 M702W27-H699 AromaticContact CE2-CD2 3.46Å; W27-H699 VanDerWaalsContact CE2-CD2 3.46Å; W27-H699 AromaticContact CE2-NE2 3.75Å; W27-H699 AromaticContact CZ2-CD2 3.31Å; W27-H699 WeakPolarHBondContact CZ2-CD2 3.38Å; W27-H699 AromaticContact CZ2-CG 3.98Å; W27-H699 AromaticContact CZ2-NE2 3.35Å; W27-H699 VanDerWaalsContact CZ2-NE2 3.35Å; W27-H699 WeakPolarHBondContact CZ2-NE2 3.46Å; W27-H699 AromaticContact NE1-CD2 3.5Å; W27-H699 PolarHBondContact NE1-CD2 2.97Å; W27-H699 AromaticContact NE1-NE2 3.7Å; I30-H699 HydrophobicContact CD1-CB 3.84Å; H699-S701 WeakPolarHBondContact ND1-CB 3.32Å; H699-S701 PolarHBondContact ND1-N 2.78Å; H699-S701 PolarHBondContact ND1-OG 2.96Å; H699-S701 VanDerWaalsContact ND1-OG 3.09Å; H699-S701 PolarHBondContact O-N 2.79Å; H699-M702 PolarHBondContact O-N 2.72Å
700P95.4Very high94.4Very high17 Ų1718.4 Ų18.411%0.1111%0.109CC..G310 helixtrans-57.7-19.8178.4-29.335.4000116.5M677 M702 I703 F1002M677-P700 HydrophobicContact CE-CB 4.17Å; M677-P700 HydrophobicContact CE-CG 3.97Å; P700-M702 PolarHBondContact O-N 3Å; P700-I703 WeakPolarHBondContact O-CG1 3.16Å; P700-F1002 HydrophobicContact CB-CB 4.38Å; P700-F1002 HydrophobicContact CB-CD2 3.7Å; P700-F1002 HydrophobicContact CB-CE2 4.26Å; P700-F1002 HydrophobicContact CB-CG 4.2Å
701S95.9Very high95.1Very high0 Ų017.4 Ų17.40%010%0.103CC..G310 helixtrans-70.6-18.1-17863.10000112.4W27 H699 I703 L704W27-S701 VanDerWaalsContact CH2-OG 3.3Å; W27-S701 WeakPolarHBondContact CH2-OG 3.49Å; H699-S701 WeakPolarHBondContact ND1-CB 3.32Å; H699-S701 PolarHBondContact ND1-N 2.78Å; H699-S701 PolarHBondContact ND1-OG 2.96Å; H699-S701 VanDerWaalsContact ND1-OG 3.09Å; H699-S701 PolarHBondContact O-N 2.79Å; S701-I703 PolarHBondContact O-N 2.79Å; S701-L704 WeakPolarHBondContact O-CB 3.36Å; S701-L704 PolarHBondContact O-N 2.93Å
702M96.6Very high95.7Very high12 Ų1213.3 Ų13.36%0.0597%0.074CC..G310 helixtrans-72.6-11.1-177.5-63.5-62.2110.200113.7W27 I30 F34 L528 M529 H699 P700 L704 S763W27-M702 HydrophobicContact CH2-CE 3.65Å; W27-M702 HydrophobicContact CZ3-CE 3.59Å; I30-M702 HydrophobicContact CD1-CE 4.26Å; I30-M702 HydrophobicContact CD1-CG 4.16Å; I30-M702 HydrophobicContact CD1-SD 4.25Å; I30-M702 HydrophobicContact CG2-SD 4.05Å; F34-M702 HydrophobicContact CE2-SD 4.22Å; L528-M702 HydrophobicContact CB-SD 4.14Å; L528-M702 HydrophobicContact CD1-CE 3.97Å; L528-M702 HydrophobicContact CD1-SD 4.09Å; L528-M702 PolarHBondContact N-O 3Å; M529-M702 HydrophobicContact CB-CB 4.44Å; M529-M702 HydrophobicContact CG-CB 3.97Å; M529-M702 HydrophobicContact CG-CG 3.87Å; M529-M702 HydrophobicContact CG-SD 3.72Å; M529-M702 HydrophobicContact SD-CB 3.99Å; M529-M702 HydrophobicContact SD-CG 3.54Å; M529-M702 VanDerWaalsContact SD-CG 3.54Å; M529-M702 HydrophobicContact SD-SD 3.92Å; H699-M702 PolarHBondContact O-N 2.72Å; P700-M702 PolarHBondContact O-N 3Å; M702-L704 PolarHBondContact O-N 3.14Å; M702-S763 WeakPolarHBondContact CE-OG 3.35Å
703I96.9Very high96Very high11 Ų119.1 Ų9.16%0.0565%0.048CC..G310 helixtrans-67.3-18.9171.474.3-177.4000112.7W506 P511 P700 S701 F1002W506-I703 HydrophobicContact CD2-CG2 4.24Å; W506-I703 HydrophobicContact CE3-CD1 4.33Å; W506-I703 HydrophobicContact CH2-CD1 3.62Å; W506-I703 HydrophobicContact CH2-CG2 4.31Å; W506-I703 HydrophobicContact CZ2-CD1 4.24Å; W506-I703 HydrophobicContact CZ2-CG2 3.88Å; W506-I703 HydrophobicContact CZ3-CD1 3.67Å; P511-I703 WeakPolarHBondContact CD-O 3.39Å; P700-I703 WeakPolarHBondContact O-CG1 3.16Å; S701-I703 PolarHBondContact O-N 2.79Å; I703-F1002 HydrophobicContact CD1-CE2 4.42Å
704L97.8Very high96.2Very high17 Ų178 Ų89%0.0895%0.045CC..SBendtrans-76.2155.8-179.6-61.1-177.7000111.2P511 A527 L528 S701 M702 A708 P714 P1001P511-L704 HydrophobicContact CG-CD2 4.48Å; A527-L704 CarbonylContact C-O 3.51Å; A527-L704 WeakPolarHBondContact CA-O 3.25Å; L528-L704 WeakPolarHBondContact CG-O 3.22Å; L528-L704 PolarHBondContact N-O 3.33Å; S701-L704 WeakPolarHBondContact O-CB 3.36Å; S701-L704 PolarHBondContact O-N 2.93Å; M702-L704 PolarHBondContact O-N 3.14Å; L704-A708 HydrophobicContact CB-CB 4.09Å; L704-A708 HydrophobicContact CD2-CB 4.17Å; L704-P714 HydrophobicContact CD1-CG 3.99Å; L704-P1001 HydrophobicContact CD1-CG 4.05Å
705G95.9Very high96.3Very high0 Ų08.7 Ų8.70%05%0.047CC..BIsolated β-bridgetrans-88.3-177.2172.200000111.7C510 C707 A708 S709C510-G705 PolarHBondContact SG-N 2.81Å; G705-C707 PolarHBondContact O-N 2.8Å; G705-A708 PolarHBondContact O-N 2.83Å; G705-S709 WeakPolarHBondContact O-CB 3.39Å; G705-S709 PolarHBondContact O-N 2.78Å; G705-S709 PolarHBondContact O-OG 3.46Å
706V96.1Very high96.3Very high3 Ų312.3 Ų12.32%0.0186%0.063CC..THydrogen-bonded Turntrans-59.9-49.6-179.81740000111.6L479 E513 L528 L767L479-V706 HydrophobicContact CB-CG1 3.95Å; L479-V706 HydrophobicContact CB-CG2 4.45Å; L479-V706 HydrophobicContact CD1-CG1 4.43Å; E513-V706 PolarHBondContact OE2-N 3.1Å; L528-V706 HydrophobicContact CD2-CG2 4.41Å; V706-L767 HydrophobicContact CB-CD2 4.37Å; V706-L767 HydrophobicContact CG1-CD1 4.22Å; V706-L767 HydrophobicContact CG1-CD2 3.86Å; V706-L767 HydrophobicContact CG2-CD2 4.16Å; V706-L767 WeakPolarHBondContact O-CD1 3.29Å
707C96.6Very high96.3Very high0 Ų013 Ų130%07%0.067CC..THydrogen-bonded Turntrans-80.4-23.3-176.8-66.80000113E513 G705 I710 K730E513-C707 HydrophobicContact CG-CB 4.39Å; E513-C707 PolarHBondContact OE2-N 3.07Å; G705-C707 PolarHBondContact O-N 2.8Å; C707-I710 VanDerWaalsContact O-CG1 3.29Å; C707-I710 WeakPolarHBondContact O-CG1 3.37Å; C707-K730 WeakPolarHBondContact SG-CE 3.37Å
708A97.2Very high96.4Very high1 Ų116.9 Ų16.91%0.0089%0.085CC..THydrogen-bonded Turntrans-74.4-29.5173.800000111.9L704 G705 I710 I711L704-A708 HydrophobicContact CB-CB 4.09Å; L704-A708 HydrophobicContact CD2-CB 4.17Å; G705-A708 PolarHBondContact O-N 2.83Å; A708-I710 PolarHBondContact O-N 3.37Å; A708-I711 WeakPolarHBondContact O-CB 3.38Å; A708-I711 WeakPolarHBondContact O-CG1 3.45Å; A708-I711 PolarHBondContact O-N 3.28Å
709S97Very high96.4Very high2 Ų220.3 Ų20.31%0.01411%0.109CC..THydrogen-bonded Turntrans-70.6-15.1-179.6-61.40000114.2L528 G705 I711 T761L528-S709 VanDerWaalsContact CD1-OG 3.26Å; L528-S709 WeakPolarHBondContact CD1-OG 3.25Å; G705-S709 WeakPolarHBondContact O-CB 3.39Å; G705-S709 PolarHBondContact O-N 2.78Å; G705-S709 PolarHBondContact O-OG 3.46Å; S709-I711 VanDerWaalsContact C-N 3.29Å; S709-T761 PolarHBondContact O-OG1 2.93Å
710I96.6Very high96.5Very high3 Ų322.4 Ų22.42%0.01512%0.124CC..THydrogen-bonded Turntrans-82.4-10.5176.979-166.2000113C707 A708 M764 L767 F769 R938C707-I710 VanDerWaalsContact O-CG1 3.29Å; C707-I710 WeakPolarHBondContact O-CG1 3.37Å; A708-I710 PolarHBondContact O-N 3.37Å; I710-M764 VanDerWaalsContact C-CE 3.48Å; I710-M764 HydrophobicContact CB-CE 3.74Å; I710-M764 HydrophobicContact CG2-CE 4.46Å; I710-M764 WeakPolarHBondContact O-CE 3.45Å; I710-L767 HydrophobicContact CG2-CD1 4.13Å; I710-F769 HydrophobicContact CG2-CD2 4.42Å; I710-R938 WeakPolarHBondContact O-CD 3.45Å; I710-R938 PolarHBondContact O-NH1 2.84Å
711I97.8Very high96.5Very high0 Ų023.6 Ų23.60%013%0.126CC..SBendtrans-81.1122.7-177.9-52.8-177.9000107.7A708 S709 P714 N722 Q725 R938A708-I711 WeakPolarHBondContact O-CB 3.38Å; A708-I711 WeakPolarHBondContact O-CG1 3.45Å; A708-I711 PolarHBondContact O-N 3.28Å; S709-I711 VanDerWaalsContact C-N 3.29Å; I711-P714 HydrophobicContact CB-CB 4.21Å; I711-P714 HydrophobicContact CG2-CB 3.97Å; I711-P714 WeakPolarHBondContact O-CD 3.21Å; I711-N722 HydrophobicContact CD1-CB 4.04Å; I711-Q725 HydrophobicContact CD1-CB 3.69Å; I711-Q725 HydrophobicContact CD1-CG 3.76Å; I711-Q725 HydrophobicContact CG1-CB 4.22Å; I711-Q725 HydrophobicContact CG1-CG 3.71Å; I711-R938 WeakPolarHBondContact CG2-O 2.92Å
712P96.8Very high96.6Very high0 Ų024.4 Ų24.40%013%0.13CC..SBendtrans-75.4141.7172.433.6-33.2000109.3V759 H939 E983 A999P712-V759 HydrophobicContact CB-CG1 4.1Å; P712-H939 WeakPolarHBondContact CG-NE2 3.19Å; P712-H939 PolarHBondContact O-CE1 3.29Å; P712-E983 HydrophobicContact CG-CB 4.31Å; P712-E983 HydrophobicContact CG-CG 4Å; P712-A999 HydrophobicContact CB-CB 3.54Å
713F96.4Very high96.6Very high10 Ų1025.2 Ų25.24%0.04414%0.136CC..SBendtrans45.154.1178.8-50.6-70.5000114D715 H716 N717 V759 I982 Q986 A999 V1006F713-D715 WeakPolarHBondContact CA-OD1 3.29Å; F713-D715 PolarHBondContact O-N 2.7Å; F713-H716 HydrophobicContact CB-CB 4.24Å; F713-H716 PolarHBondContact O-N 2.85Å; F713-H716 VanDerWaalsContact O-N 3.16Å; F713-N717 PolarHBondContact O-ND2 2.86Å; F713-V759 HydrophobicContact CE2-CG1 4.07Å; F713-I982 HydrophobicContact CD2-CB 4.18Å; F713-I982 HydrophobicContact CD2-CG2 3.74Å; F713-I982 HydrophobicContact CE1-CG2 4.44Å; F713-I982 HydrophobicContact CE2-CB 4.41Å; F713-I982 HydrophobicContact CE2-CG2 3.57Å; F713-I982 HydrophobicContact CG-CG2 4.26Å; F713-I982 HydrophobicContact CZ-CG2 3.95Å; F713-Q986 HydrophobicContact CE2-CB 4.47Å; F713-A999 HydrophobicContact CD1-CB 4.26Å; F713-A999 HydrophobicContact CD2-CB 3.75Å; F713-A999 HydrophobicContact CE1-CB 3.92Å; F713-A999 HydrophobicContact CE2-CB 3.35Å; F713-A999 HydrophobicContact CG-CB 4.19Å; F713-A999 VanDerWaalsContact CZ-CA 3.5Å; F713-A999 HydrophobicContact CZ-CB 3.45Å; F713-A999 VanDerWaalsContact CZ-CB 3.45Å; F713-A999 PolarHBondContact N-O 3.43Å; F713-A999 VanDerWaalsContact N-O 3.11Å; F713-V1006 HydrophobicContact CZ-CG1 4.49Å
714P96.8Very high96.6Very high10 Ų1028.3 Ų28.37%0.06515%0.148CC..G310 helixtrans-65.6-25.6-177.627.4-34.4000112.9L704 I711 H716 N717 N722 P1001L704-P714 HydrophobicContact CD1-CG 3.99Å; I711-P714 HydrophobicContact CB-CB 4.21Å; I711-P714 HydrophobicContact CG2-CB 3.97Å; I711-P714 WeakPolarHBondContact O-CD 3.21Å; P714-H716 VanDerWaalsContact C-N 3.27Å; P714-H716 PolarHBondContact O-N 3.15Å; P714-N717 PolarHBondContact O-N 3.38Å; P714-N722 PolarHBondContact O-ND2 3.12Å; P714-P1001 HydrophobicContact CG-CB 3.78Å; P714-P1001 HydrophobicContact CG-CG 4.03Å
715D95.8Very high96.6Very high65 Ų6527.5 Ų27.535%0.34814%0.143SC..G310 helixtrans-65.1-23.8173.353.8-10.5000113.7F713 F1002F713-D715 WeakPolarHBondContact CA-OD1 3.29Å; F713-D715 PolarHBondContact O-N 2.7Å; D715-F1002 HydrophobicContact CB-CD1 4.48Å; D715-F1002 HydrophobicContact CB-CE1 4.12Å; D715-F1002 PolarHBondContact OD2-N 3.28Å; D715-F1002 VanDerWaalsContact OD2-N 3.12Å
716H95.9Very high96.6Very high84 Ų8427.5 Ų27.539%0.38914%0.144SC..G310 helixtrans-91.56.6177.3-68.175.7000113.9F713 P714 G979 I982F713-H716 HydrophobicContact CB-CB 4.24Å; F713-H716 PolarHBondContact O-N 2.85Å; F713-H716 VanDerWaalsContact O-N 3.16Å; P714-H716 VanDerWaalsContact C-N 3.27Å; P714-H716 PolarHBondContact O-N 3.15Å; H716-G979 PolarHBondContact O-N 2.89Å; H716-I982 HydrophobicContact CB-CD1 4.13Å; H716-I982 VanDerWaalsContact CD2-CD1 3.47Å; H716-I982 WeakPolarHBondContact CD2-CD1 3.4Å
717N95.8Very high96.5Very high15 Ų1528.4 Ų28.48%0.0815%0.151CC..BIsolated β-bridgetrans-111.8151.2178.5-60-49.8000111.2F713 P714 S719 N722 H939 G979F713-N717 PolarHBondContact O-ND2 2.86Å; P714-N717 PolarHBondContact O-N 3.38Å; N717-S719 PolarHBondContact O-N 2.69Å; N717-N722 WeakPolarHBondContact CB-OD1 3.39Å; N717-N722 PolarHBondContact ND2-OD1 3.43Å; N717-H939 PolarHBondContact ND2-ND1 3Å; N717-H939 PolarHBondContact OD1-ND1 3.31Å; N717-G979 WeakPolarHBondContact OD1-CA 3.43Å; N717-G979 PolarHBondContact OD1-N 2.7Å
718Q97.2Very high96.5Very high89 Ų8928.9 Ų28.942%0.41615%0.153SC..  trans-61.7127.9165.4-158.2-167.224.500110.3P720 R721Q718-P720 VanDerWaalsContact C-CD 3.42Å; Q718-P720 VanDerWaalsContact O-N 3.11Å; Q718-R721 HydrophobicContact CB-CG 4.38Å; Q718-R721 VanDerWaalsContact O-CB 3.26Å; Q718-R721 WeakPolarHBondContact O-CB 3.23Å; Q718-R721 PolarHBondContact O-N 3.27Å
719S95.6Very high96.3Very high75 Ų7529 Ų2952%0.52416%0.155SC..Hα-helixtrans-45.4-45.1-172.4175.30000116.2N717 R721 N722 T723N717-S719 PolarHBondContact O-N 2.69Å; S719-R721 PolarHBondContact O-N 2.62Å; S719-R721 VanDerWaalsContact O-N 3.08Å; S719-N722 WeakPolarHBondContact O-CB 3.29Å; S719-N722 PolarHBondContact O-N 2.92Å; S719-T723 PolarHBondContact O-N 2.9Å
720P96.1Very high96.2Very high57 Ų5730.1 Ų30.137%0.3716%0.16SC..Hα-helixtrans-58.6-27.5179.1-24.935.7000114Q718 T723 Y724Q718-P720 VanDerWaalsContact C-CD 3.42Å; Q718-P720 VanDerWaalsContact O-N 3.11Å; P720-T723 WeakPolarHBondContact O-CB 3.4Å; P720-T723 PolarHBondContact O-N 2.87Å; P720-Y724 HydrophobicContact CB-CE2 4.31Å; P720-Y724 WeakPolarHBondContact O-CD2 3.44Å; P720-Y724 VanDerWaalsContact O-CG 3.32Å; P720-Y724 PolarHBondContact O-N 3.43Å
721R96.4Very high96.2Very high42 Ų4232.8 Ų32.816%0.15817%0.172CC..Hα-helixtrans-68.5-36.8177.5-59.9-69.5165.1-158.8-5.3111.8Q718 S719 T723 Y724 Q725 T977Q718-R721 HydrophobicContact CB-CG 4.38Å; Q718-R721 VanDerWaalsContact O-CB 3.26Å; Q718-R721 WeakPolarHBondContact O-CB 3.23Å; Q718-R721 PolarHBondContact O-N 3.27Å; S719-R721 PolarHBondContact O-N 2.62Å; S719-R721 VanDerWaalsContact O-N 3.08Å; R721-T723 VanDerWaalsContact C-N 3.32Å; R721-Y724 PolarHBondContact O-N 2.75Å; R721-Q725 PolarHBondContact O-N 3.07Å; R721-T977 HydrophobicContact CB-CG2 4.08Å; R721-T977 HydrophobicContact CG-CG2 3.68Å
722N97.3Very high96.1Very high16 Ų1632.8 Ų32.89%0.08617%0.172CC..Hα-helixtrans-65.8-37.9174.1-62.2-25.4000111A512 I711 P714 N717 S719 Q725 S726A512-N722 HydrophobicContact CB-CB 3.97Å; I711-N722 HydrophobicContact CD1-CB 4.04Å; P714-N722 PolarHBondContact O-ND2 3.12Å; N717-N722 WeakPolarHBondContact CB-OD1 3.39Å; N717-N722 PolarHBondContact ND2-OD1 3.43Å; S719-N722 WeakPolarHBondContact O-CB 3.29Å; S719-N722 PolarHBondContact O-N 2.92Å; N722-Q725 PolarHBondContact O-N 3.36Å; N722-S726 WeakPolarHBondContact O-CB 3.5Å; N722-S726 PolarHBondContact O-N 2.95Å; N722-S726 PolarHBondContact O-OG 2.53Å
723T96.9Very high95.9Very high29 Ų2932.8 Ų32.818%0.17817%0.172CC..Hα-helixtrans-64-45.5173.8-58.60000112.1A512 T514 S719 P720 R721 Q725 S726 A727A512-T723 WeakPolarHBondContact O-CA 3.43Å; A512-T723 VanDerWaalsContact O-CB 3.3Å; A512-T723 WeakPolarHBondContact O-CB 3.45Å; A512-T723 WeakPolarHBondContact O-CG2 3.09Å; A512-T723 PolarHBondContact O-OG1 2.87Å; T514-T723 HydrophobicContact CG2-CG2 4.01Å; S719-T723 PolarHBondContact O-N 2.9Å; P720-T723 WeakPolarHBondContact O-CB 3.4Å; P720-T723 PolarHBondContact O-N 2.87Å; R721-T723 VanDerWaalsContact C-N 3.32Å; T723-Q725 VanDerWaalsContact C-N 3.33Å; T723-Q725 PolarHBondContact O-N 3.46Å; T723-S726 WeakPolarHBondContact O-CB 3.37Å; T723-S726 PolarHBondContact O-N 3.02Å; T723-A727 PolarHBondContact O-N 2.79Å; T723-A727 VanDerWaalsContact O-N 3.13Å
724Y96.8Very high95.9Very high76 Ų7632.3 Ų32.330%0.29817%0.17SC..Hα-helixtrans-59.5-44.4175.5-67.6-37.2000112E516 P720 R721 S726 A727 M728E516-Y724 HydrophobicContact CG-CE1 4.49Å; P720-Y724 HydrophobicContact CB-CE2 4.31Å; P720-Y724 WeakPolarHBondContact O-CD2 3.44Å; P720-Y724 VanDerWaalsContact O-CG 3.32Å; P720-Y724 PolarHBondContact O-N 3.43Å; R721-Y724 PolarHBondContact O-N 2.75Å; Y724-S726 VanDerWaalsContact C-N 3.33Å; Y724-S726 PolarHBondContact O-N 3.2Å; Y724-A727 PolarHBondContact O-N 2.78Å; Y724-M728 VanDerWaalsContact O-CG 3.25Å; Y724-M728 WeakPolarHBondContact O-CG 3.29Å; Y724-M728 PolarHBondContact O-N 2.87Å
725Q97.5Very high95.9Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-62.9-41.7176.3-179.758.622.200112.2I711 R721 N722 T723 A727 M728 G729 S937 R938I711-Q725 HydrophobicContact CD1-CB 3.69Å; I711-Q725 HydrophobicContact CD1-CG 3.76Å; I711-Q725 HydrophobicContact CG1-CB 4.22Å; I711-Q725 HydrophobicContact CG1-CG 3.71Å; R721-Q725 PolarHBondContact O-N 3.07Å; N722-Q725 PolarHBondContact O-N 3.36Å; T723-Q725 VanDerWaalsContact C-N 3.33Å; T723-Q725 PolarHBondContact O-N 3.46Å; Q725-A727 PolarHBondContact O-N 3.23Å; Q725-M728 PolarHBondContact O-N 2.81Å; Q725-G729 PolarHBondContact O-N 3.1Å; Q725-S937 PolarHBondContact OE1-O 3.35Å; Q725-R938 WeakPolarHBondContact CG-O 3.43Å
726S95.9Very high95.9Very high1 Ų130.2 Ų30.21%0.00716%0.159CC..Hα-helixtrans-58.9-33.8178.7-61.60000111.8N722 T723 Y724 K730N722-S726 WeakPolarHBondContact O-CB 3.5Å; N722-S726 PolarHBondContact O-N 2.95Å; N722-S726 PolarHBondContact O-OG 2.53Å; T723-S726 WeakPolarHBondContact O-CB 3.37Å; T723-S726 PolarHBondContact O-N 3.02Å; Y724-S726 VanDerWaalsContact C-N 3.33Å; Y724-S726 PolarHBondContact O-N 3.2Å; S726-K730 VanDerWaalsContact O-CE 3.26Å; S726-K730 WeakPolarHBondContact O-CE 3.45Å
727A95.1Very high96Very high21 Ų2126.3 Ų26.317%0.17414%0.141CC..Hα-helixtrans-75.3-41.4172.100000113T723 Y724 Q725 K730T723-A727 PolarHBondContact O-N 2.79Å; T723-A727 VanDerWaalsContact O-N 3.13Å; Y724-A727 PolarHBondContact O-N 2.78Å; Q725-A727 PolarHBondContact O-N 3.23Å; A727-K730 PolarHBondContact O-N 2.97Å
728M95.6Very high96Very high10 Ų1028.7 Ų28.75%0.04916%0.156CC..Hα-helixtrans-71-34.6-178.2-69173.5-161.900113.2Y724 Q725 K730 Q731 A732 A936 K942Y724-M728 VanDerWaalsContact O-CG 3.25Å; Y724-M728 WeakPolarHBondContact O-CG 3.29Å; Y724-M728 PolarHBondContact O-N 2.87Å; Q725-M728 PolarHBondContact O-N 2.81Å; M728-K730 PolarHBondContact O-N 2.95Å; M728-Q731 CarbonylContact O-C 3.51Å; M728-Q731 WeakPolarHBondContact O-CA 3.33Å; M728-Q731 WeakPolarHBondContact O-CB 3.49Å; M728-Q731 PolarHBondContact O-N 2.94Å; M728-A732 PolarHBondContact O-N 2.84Å; M728-A936 HydrophobicContact SD-CB 4.09Å; M728-K942 HydrophobicContact CE-CB 3.9Å; M728-K942 HydrophobicContact CE-CD 3.71Å; M728-K942 HydrophobicContact CE-CG 3.83Å; M728-K942 HydrophobicContact SD-CB 3.92Å
729G93.9Very high96Very high3 Ų324.8 Ų24.83%0.03114%0.138CC..Hα-helixtrans-59.7-28.7175.800000112.8Q725 Q731Q725-G729 PolarHBondContact O-N 3.1Å; G729-Q731 PolarHBondContact O-N 3.23Å
730K95Very high96Very high27 Ų2723.4 Ų23.412%0.11712%0.122CC..THydrogen-bonded Turntrans-75.7-11.1173-55.9175.4-165.9-170.40113.2L473 S480 E513 N525 C707 S726 A727 M728L473-K730 VanDerWaalsContact CD2-O 3.29Å; L473-K730 WeakPolarHBondContact CD2-O 3.48Å; S480-K730 WeakPolarHBondContact OG-CE 3.47Å; S480-K730 PolarHBondContact OG-NZ 2.88Å; E513-K730 WeakPolarHBondContact OE1-CE 3.39Å; E513-K730 IonicContact OE1-NZ 2.72Å; E513-K730 PolarHBondContact OE1-NZ 3.15Å; N525-K730 PolarHBondContact OD1-NZ 2.87Å; C707-K730 WeakPolarHBondContact SG-CE 3.37Å; S726-K730 VanDerWaalsContact O-CE 3.26Å; S726-K730 WeakPolarHBondContact O-CE 3.45Å; A727-K730 PolarHBondContact O-N 2.97Å; M728-K730 PolarHBondContact O-N 2.95Å
731Q95.2Very high96Very high58 Ų5825.2 Ų25.227%0.27113%0.126SC..THydrogen-bonded Turntrans-108.9-11.8-179.3-58.6179.45.500113.4L473 M728 G729 L1051 K1052 H1053L473-Q731 VanDerWaalsContact CD2-CA 3.47Å; L473-Q731 WeakPolarHBondContact CD2-O 3.4Å; M728-Q731 CarbonylContact O-C 3.51Å; M728-Q731 WeakPolarHBondContact O-CA 3.33Å; M728-Q731 WeakPolarHBondContact O-CB 3.49Å; M728-Q731 PolarHBondContact O-N 2.94Å; G729-Q731 PolarHBondContact O-N 3.23Å; Q731-L1051 HydrophobicContact CB-CD2 4.36Å; Q731-L1051 WeakPolarHBondContact O-CA 3.41Å; Q731-K1052 PolarHBondContact O-N 2.98Å; Q731-H1053 PolarHBondContact OE1-CD2 2.84Å; Q731-H1053 PolarHBondContact OE1-NE2 2.74Å
732A95.3Very high96Very high0 Ų025 Ų250%013%0.129CC..BIsolated β-bridgetrans-58.3156.8173.500000110.6L473 T474 M728 A774 Q1049 R1050 L1051L473-A732 WeakPolarHBondContact CD2-O 3.17Å; T474-A732 WeakPolarHBondContact CG2-O 3.27Å; M728-A732 PolarHBondContact O-N 2.84Å; A732-A774 HydrophobicContact CB-CB 4.06Å; A732-Q1049 HydrophobicContact CB-CB 4Å; A732-Q1049 HydrophobicContact CB-CG 4.25Å; A732-R1050 CarbonylContact C-O 3.42Å; A732-R1050 WeakPolarHBondContact CA-O 3.04Å; A732-L1051 HydrophobicContact CB-CD2 4.49Å
733M94.5Very high95.8Very high0 Ų024.5 Ų24.50%013%0.126CC..  trans-107.7147.1173.9-54.1-175.9-39.100109.5H749 L751 A774 S808 R1050 K1052M733-H749 HydrophobicContact CB-CB 4.22Å; M733-H749 HydrophobicContact CG-CB 3.91Å; M733-H749 HydrophobicContact SD-CB 3.66Å; M733-L751 HydrophobicContact CB-CG 4.41Å; M733-L751 HydrophobicContact CE-CD2 4.11Å; M733-L751 WeakPolarHBondContact O-CD1 3.38Å; M733-A774 CarbonylContact O-C 3.54Å; M733-A774 WeakPolarHBondContact O-CA 3.16Å; M733-A774 VanDerWaalsContact O-O 3.13Å; M733-S808 WeakPolarHBondContact CE-OG 3.45Å; M733-R1050 HydrophobicContact CE-CB 4Å; M733-R1050 VanDerWaalsContact CE-CD 3.5Å; M733-R1050 HydrophobicContact CE-CG 3.59Å; M733-R1050 PolarHBondContact N-O 3.15Å; M733-K1052 HydrophobicContact CG-CB 4.43Å
734G94.7Very high95.7Very high0 Ų024.2 Ų24.20%012%0.122CC..SBendtrans-172.8-170-179.100000110.3Y736G734-Y736 PolarHBondContact O-N 2.83Å
735V97.4Very high95.6Very high27 Ų2722.2 Ų22.216%0.16412%0.117CC..  trans-78.3115166.4-177.50000106.8I737 F740 V750 P754 L772V735-I737 WeakPolarHBondContact CG1-O 3.38Å; V735-F740 HydrophobicContact CG1-CD1 4.4Å; V735-F740 HydrophobicContact CG1-CE1 4.42Å; V735-V750 HydrophobicContact CG2-CG1 3.9Å; V735-P754 HydrophobicContact CG2-CG 3.95Å; V735-L772 HydrophobicContact CB-CD2 4.01Å; V735-L772 HydrophobicContact CG1-CD2 3.65Å
736Y96.4Very high95.3Very high5 Ų527 Ų272%0.0215%0.147CC..  trans-87.6-26.2-175.266.1-85.6000113.1R472 G734 F740 D745 A748 V750R472-Y736 HydrophobicContact CB-CD2 4.27Å; R472-Y736 HydrophobicContact CB-CE2 4.49Å; R472-Y736 WeakPolarHBondContact O-CB 3.46Å; R472-Y736 WeakPolarHBondContact O-CD2 3.37Å; G734-Y736 PolarHBondContact O-N 2.83Å; Y736-F740 HydrophobicContact CE1-CB 3.67Å; Y736-F740 HydrophobicContact CE1-CG 4.44Å; Y736-F740 HydrophobicContact CE2-CB 4.42Å; Y736-F740 WeakPolarHBondContact OH-CB 3.24Å; Y736-D745 PolarHBondContact OH-OD2 2.83Å; Y736-A748 HydrophobicContact CE1-CB 3.78Å; Y736-V750 HydrophobicContact CD1-CG2 4.15Å; Y736-V750 HydrophobicContact CE1-CG2 3.97Å
737I97Very high95.2Very high2 Ų230.9 Ų30.91%0.0117%0.167CC..  trans-160.6156.1175.6-157.568.2000108.5C177 D180 V735 N739 F740C177-I737 HydrophobicContact CB-CD1 3.59Å; C177-I737 HydrophobicContact CB-CG1 3.46Å; C177-I737 VanDerWaalsContact CB-CG1 3.46Å; C177-I737 WeakPolarHBondContact SG-CD1 3.45Å; D180-I737 HydrophobicContact CB-CD1 3.96Å; V735-I737 WeakPolarHBondContact CG1-O 3.38Å; I737-N739 WeakPolarHBondContact CG1-OD1 3.33Å; I737-N739 WeakPolarHBondContact CG2-OD1 3.38Å; I737-F740 HydrophobicContact CG2-CB 4.11Å; I737-F740 VanDerWaalsContact O-CD1 3.31Å; I737-F740 WeakPolarHBondContact O-CD1 3.04Å
738T96.9Very high95.2Very high64 Ų6430.3 Ų30.339%0.39316%0.162SC..G310 helixtrans-73.7-40.3-176.458.50000113.1C177 F740 L772C177-T738 WeakPolarHBondContact CB-OG1 3.45Å; C177-T738 PolarHBondContact SG-OG1 3.42Å; T738-F740 WeakPolarHBondContact O-CD1 3.29Å; T738-F740 PolarHBondContact O-N 3.25Å; T738-F740 VanDerWaalsContact O-N 3.15Å; T738-L772 HydrophobicContact CG2-CD2 4.24Å
739N96.6Very high95.3Very high8 Ų830 Ų304%0.04316%0.16CC..G310 helixtrans-83.523.9-176.668.6-20.2000114.1N175 I737 H741 V742 R743N175-N739 PolarHBondContact O-ND2 3.22Å; I737-N739 WeakPolarHBondContact CG1-OD1 3.33Å; I737-N739 WeakPolarHBondContact CG2-OD1 3.38Å; N739-H741 PolarHBondContact O-N 2.63Å; N739-H741 VanDerWaalsContact O-N 3.09Å; N739-V742 HydrophobicContact CB-CG2 4.02Å; N739-V742 WeakPolarHBondContact O-CG2 3.16Å; N739-V742 PolarHBondContact O-N 2.88Å; N739-R743 WeakPolarHBondContact O-CG 3.34Å
740F96.4Very high95.4Very high45 Ų4530.2 Ų30.220%0.19716%0.161CC..G310 helixtrans-58.7-26-177.969.7-91.3000113.7V735 Y736 I737 T738 R743 V750 Y811 R922V735-F740 HydrophobicContact CG1-CD1 4.4Å; V735-F740 HydrophobicContact CG1-CE1 4.42Å; Y736-F740 HydrophobicContact CE1-CB 3.67Å; Y736-F740 HydrophobicContact CE1-CG 4.44Å; Y736-F740 HydrophobicContact CE2-CB 4.42Å; Y736-F740 WeakPolarHBondContact OH-CB 3.24Å; I737-F740 HydrophobicContact CG2-CB 4.11Å; I737-F740 VanDerWaalsContact O-CD1 3.31Å; I737-F740 WeakPolarHBondContact O-CD1 3.04Å; T738-F740 WeakPolarHBondContact O-CD1 3.29Å; T738-F740 PolarHBondContact O-N 3.25Å; T738-F740 VanDerWaalsContact O-N 3.15Å; F740-R743 PolarHBondContact O-N 3.47Å; F740-V750 HydrophobicContact CD2-CG2 4.09Å; F740-V750 HydrophobicContact CE1-CG1 4.42Å; F740-V750 HydrophobicContact CE2-CG2 4.24Å; F740-V750 HydrophobicContact CG-CG2 4.34Å; F740-V750 HydrophobicContact CZ-CG1 4.19Å; F740-Y811 HydrophobicContact CD2-CE2 4.35Å; F740-Y811 HydrophobicContact CE2-CE2 4.22Å; F740-R922 PolarHBondContact O-NH1 2.9Å
741H95.6Very high95.6Very high96 Ų9629.1 Ų29.144%0.44416%0.156SC..G310 helixtrans-70.5-30.6-177.463.4-81.7000113.6N739 Q906 R922N739-H741 PolarHBondContact O-N 2.63Å; N739-H741 VanDerWaalsContact O-N 3.09Å; H741-Q906 PolarHBondContact O-NE2 3.08Å; H741-Q906 PolarHBondContact O-OE1 2.93Å; H741-R922 VanDerWaalsContact O-CZ 3.31Å; H741-R922 PolarHBondContact O-NH1 3.48Å; H741-R922 PolarHBondContact O-NH2 3.22Å
742V95.6Very high95.7Very high36 Ų3630.8 Ų30.822%0.21816%0.161CC..THydrogen-bonded Turntrans-86.6-15.1172.6-67.90000112.8N175 N739N175-V742 HydrophobicContact CB-CG2 4.24Å; N739-V742 HydrophobicContact CB-CG2 4.02Å; N739-V742 WeakPolarHBondContact O-CG2 3.16Å; N739-V742 PolarHBondContact O-N 2.88Å
743R94.3Very high95.8Very high7 Ų737.7 Ų37.73%0.02619%0.188CC..  trans-85.2126.8-175.9-67.6177.16493.413.2112.1E191 N739 F740 D745 R922E191-R743 IonicContact OE1-CZ 3.16Å; E191-R743 IonicContact OE1-NH1 3.17Å; E191-R743 PolarHBondContact OE1-NH1 2.82Å; E191-R743 IonicContact OE1-NH2 3.02Å; E191-R743 PolarHBondContact OE1-NH2 2.99Å; E191-R743 IonicContact OE2-NH2 3.03Å; N739-R743 WeakPolarHBondContact O-CG 3.34Å; F740-R743 PolarHBondContact O-N 3.47Å; R743-D745 VanDerWaalsContact C-N 3.28Å; R743-D745 IonicContact CZ-OD1 3.98Å; R743-D745 IonicContact CZ-OD2 3.37Å; R743-D745 IonicContact NE-OD1 2.91Å; R743-D745 IonicContact NE-OD2 3Å; R743-D745 PolarHBondContact NE-OD2 3.38Å; R743-D745 IonicContact NH2-OD1 2.76Å; R743-D745 PolarHBondContact NH2-OD1 2.72Å; R743-D745 IonicContact NH2-OD2 2.66Å; R743-D745 PolarHBondContact O-N 2.83Å; R743-R922 PolarHBondContact O-NH1 3.05Å
744M94.3Very high96Very high22 Ų2239.5 Ų39.511%0.10820%0.199CC..  trans-91.456.9174.1-64.6-69.4-172.800111.6L115 Q906 M908 K920 R922L115-M744 HydrophobicContact CD2-CB 3.92Å; L115-M744 HydrophobicContact CD2-CG 3.66Å; M744-Q906 HydrophobicContact CE-CB 3.54Å; M744-M908 HydrophobicContact CE-CB 4.05Å; M744-K920 HydrophobicContact CB-CB 4.46Å; M744-K920 HydrophobicContact CB-CD 3.81Å; M744-K920 HydrophobicContact CG-CB 4.41Å; M744-K920 HydrophobicContact CG-CD 4.37Å; M744-R922 HydrophobicContact SD-CB 3.7Å; M744-R922 HydrophobicContact SD-CG 4.48Å
745D93.6Very high96.1Very high35 Ų3543.2 Ų43.219%0.18722%0.217CC..  trans-68.6145.6176.8-67.2-42.7000110.3Y736 R743 L747 S813Y736-D745 PolarHBondContact OH-OD2 2.83Å; R743-D745 VanDerWaalsContact C-N 3.28Å; R743-D745 IonicContact CZ-OD1 3.98Å; R743-D745 IonicContact CZ-OD2 3.37Å; R743-D745 IonicContact NE-OD1 2.91Å; R743-D745 IonicContact NE-OD2 3Å; R743-D745 PolarHBondContact NE-OD2 3.38Å; R743-D745 IonicContact NH2-OD1 2.76Å; R743-D745 PolarHBondContact NH2-OD1 2.72Å; R743-D745 IonicContact NH2-OD2 2.66Å; R743-D745 PolarHBondContact O-N 2.83Å; D745-L747 VanDerWaalsContact C-N 3.32Å; D745-L747 PolarHBondContact O-N 3.09Å; D745-S813 VanDerWaalsContact O-CB 3.23Å; D745-S813 WeakPolarHBondContact O-CB 3.2Å; D745-S813 PolarHBondContact O-OG 3.49Å
746T92.3Very high96.1Very high101 Ų10146.5 Ų46.562%0.6223%0.229SC*.SBendtrans-65.6-35.2-174.750.90000113.1R812 S813T746-R812 WeakPolarHBondContact O-CA 3.36Å; T746-S813 PolarHBondContact O-N 2.95Å; T746-S813 VanDerWaalsContact O-N 3.17Å
747L93.5Very high96.2Very high82 Ų8246.3 Ų46.343%0.42923%0.228SC..EExtended strand (participates in β ladder)trans-147.9125.3179.2-174.2155000108.9D745 F810 Y811D745-L747 VanDerWaalsContact C-N 3.32Å; D745-L747 PolarHBondContact O-N 3.09Å; L747-F810 HydrophobicContact CD1-CE2 3.99Å; L747-F810 HydrophobicContact CD1-CZ 4.29Å; L747-F810 HydrophobicContact CD2-CE2 4.19Å; L747-F810 HydrophobicContact CG-CE2 3.68Å; L747-F810 HydrophobicContact CG-CZ 4.24Å; L747-Y811 WeakPolarHBondContact CA-O 3.5Å
748A95.6Very high96.2Very high8 Ų848.1 Ų48.17%0.06624%0.238CC..EExtended strand (participates in β ladder)trans-140.4144.9173.900000111.4Y736 F810 Y811Y736-A748 HydrophobicContact CE1-CB 3.78Å; A748-F810 WeakPolarHBondContact O-CA 3.46Å; A748-Y811 HydrophobicContact CB-CD2 4.48Å; A748-Y811 PolarHBondContact N-O 2.9Å; A748-Y811 PolarHBondContact O-N 3.1Å
749H96.5Very high96.2Very high5 Ų545.1 Ų45.12%0.02322%0.22CC..EExtended strand (participates in β ladder)trans-123.1128170.9-65.2-89.3000108.5M733 V809 F810 M1054M733-H749 HydrophobicContact CB-CB 4.22Å; M733-H749 HydrophobicContact CG-CB 3.91Å; M733-H749 HydrophobicContact SD-CB 3.66Å; H749-V809 WeakPolarHBondContact CA-O 3.43Å; H749-F810 AromaticContact CE1-CD2 3.2Å; H749-F810 WeakPolarHBondContact CE1-CD2 3.37Å; H749-F810 AromaticContact CE1-CE2 3.61Å; H749-F810 AromaticContact ND1-CD2 3.56Å; H749-F810 AromaticContact NE2-CD2 3.68Å; H749-F810 AromaticContact NE2-CE2 3.7Å; H749-M1054 VanDerWaalsContact CE1-CE 3.45Å; H749-M1054 WeakPolarHBondContact CE1-CE 3.48Å
750V97.7Very high96.2Very high6 Ų645.5 Ų45.54%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-128.7132.8177.9-176.20000109.1V735 Y736 F740 S808 V809 Y811V735-V750 HydrophobicContact CG2-CG1 3.9Å; Y736-V750 HydrophobicContact CD1-CG2 4.15Å; Y736-V750 HydrophobicContact CE1-CG2 3.97Å; F740-V750 HydrophobicContact CD2-CG2 4.09Å; F740-V750 HydrophobicContact CE1-CG1 4.42Å; F740-V750 HydrophobicContact CE2-CG2 4.24Å; F740-V750 HydrophobicContact CG-CG2 4.34Å; F740-V750 HydrophobicContact CZ-CG1 4.19Å; V750-S808 CarbonylContact O-C 3.59Å; V750-S808 WeakPolarHBondContact O-CA 3.27Å; V750-S808 VanDerWaalsContact O-CB 3.27Å; V750-S808 WeakPolarHBondContact O-CB 3.19Å; V750-V809 HydrophobicContact CB-CG1 3.87Å; V750-V809 PolarHBondContact N-O 3.28Å; V750-V809 PolarHBondContact O-N 3.32Å; V750-Y811 HydrophobicContact CG2-CE2 4.49Å
751L97.8Very high96.2Very high5 Ų543.5 Ų43.53%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-76.9147.8173.5-76.1176.8000110.6M733 P754 F806M733-L751 HydrophobicContact CB-CG 4.41Å; M733-L751 HydrophobicContact CE-CD2 4.11Å; M733-L751 WeakPolarHBondContact O-CD1 3.38Å; L751-P754 HydrophobicContact CB-CB 4.43Å; L751-F806 HydrophobicContact CD2-CD1 4.23Å
752Y97.8Very high96.1Very high92 Ų9241.8 Ų41.836%0.36120%0.203SC..SBendtrans-70.4-47.5177-8342.9000111.4R807 V809 V926Y752-R807 HydrophobicContact CD1-CB 4.11Å; Y752-R807 WeakPolarHBondContact CD1-O 3.47Å; Y752-R807 HydrophobicContact CD2-CB 4.29Å; Y752-R807 HydrophobicContact CE1-CB 4.5Å; Y752-R807 HydrophobicContact CG-CB 4.01Å; Y752-R807 PolarHBondContact N-O 2.66Å; Y752-V809 HydrophobicContact CE1-CB 3.95Å; Y752-V809 HydrophobicContact CE1-CG1 4.42Å; Y752-V926 HydrophobicContact CE1-CG1 4.28Å; Y752-V926 WeakPolarHBondContact OH-CG1 3.38Å; Y752-V926 WeakPolarHBondContact OH-CG2 3.41Å
753Y98Very high96.1Very high145 Ų14540.2 Ų40.257%0.56919%0.194SC*.SBendtrans-130.871.1-173.9-54.5-65000110.8I776Y753-I776 WeakPolarHBondContact O-CD1 2.95Å; Y753-I776 WeakPolarHBondContact O-CG1 3.49Å
754P97.6Very high96.2Very high38 Ų3839.9 Ų39.925%0.24719%0.193CC..  trans-67.8144.2172.535-38.5000109.7V735 L751 P773V735-P754 HydrophobicContact CG2-CG 3.95Å; L751-P754 HydrophobicContact CB-CB 4.43Å; P754-P773 HydrophobicContact CB-CG 4.02Å
755Q97.8Very high96.3Very high79 Ų7943.9 Ų43.937%0.36921%0.211SC..  trans-123.4148.3179.4-64.4179.8-11.200110.6P773 G775 I776 N777 Y1047Q755-P773 VanDerWaalsContact C-CG 3.47Å; Q755-P773 WeakPolarHBondContact O-CB 3.17Å; Q755-P773 WeakPolarHBondContact O-CG 3.5Å; Q755-G775 PolarHBondContact N-O 3.02Å; Q755-I776 HydrophobicContact CG-CG2 4.44Å; Q755-N777 PolarHBondContact OE1-ND2 3.48Å; Q755-Y1047 WeakPolarHBondContact O-CE2 3.49Å; Q755-Y1047 PolarHBondContact O-OH 3.44Å
756K96.9Very high96.3Very high95 Ų9543.4 Ų43.441%0.41321%0.207SC..  trans-66.3144.6164.264-178.3179.5178.60109.6N777K756-N777 PolarHBondContact O-ND2 3.14Å
757P97.9Very high96.5Very high1 Ų138.8 Ų38.81%0.00618%0.178CC..  trans-67.5139.7177.128.2-33.6000110.8V759 M764 F769 N777 Y1047P757-V759 VanDerWaalsContact C-N 3.26Å; P757-V759 PolarHBondContact O-N 3.38Å; P757-M764 HydrophobicContact CG-CE 4.23Å; P757-M764 HydrophobicContact CG-SD 3.68Å; P757-F769 HydrophobicContact CG-CD1 4.43Å; P757-F769 HydrophobicContact CG-CE1 4.36Å; P757-N777 WeakPolarHBondContact CA-OD1 3.32Å; P757-Y1047 HydrophobicContact CB-CD1 4.48Å; P757-Y1047 HydrophobicContact CB-CD2 3.86Å; P757-Y1047 HydrophobicContact CB-CE2 4.3Å; P757-Y1047 HydrophobicContact CB-CG 3.91Å
758L97.1Very high96.6Very high40 Ų4039.7 Ų39.721%0.20918%0.176CC..SBendtrans-66.3-30.7173.9-72.6171.5000112.7N777 A991 I996 G997 P1045L758-N777 HydrophobicContact CD1-CB 4.14Å; L758-N777 HydrophobicContact CG-CB 4.33Å; L758-N777 PolarHBondContact N-OD1 3.09Å; L758-A991 HydrophobicContact CD1-CB 4.21Å; L758-I996 HydrophobicContact CD2-CD1 4.48Å; L758-I996 WeakPolarHBondContact O-CG2 3.36Å; L758-G997 PolarHBondContact O-N 2.98Å; L758-P1045 HydrophobicContact CD1-CB 3.84Å; L758-P1045 HydrophobicContact CD1-CG 4.05Å
759V97.1Very high96.6Very high2 Ų239.6 Ų39.61%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-114.3109.8-179.8-178.90000107.5P712 F713 P757 R938 E983 Q986 G987 A999P712-V759 HydrophobicContact CB-CG1 4.1Å; F713-V759 HydrophobicContact CE2-CG1 4.07Å; P757-V759 VanDerWaalsContact C-N 3.26Å; P757-V759 PolarHBondContact O-N 3.38Å; V759-R938 VanDerWaalsContact O-CZ 3.28Å; V759-R938 PolarHBondContact O-NH1 3.03Å; V759-R938 PolarHBondContact O-NH2 3.1Å; V759-E983 HydrophobicContact CB-CG 4.11Å; V759-E983 HydrophobicContact CG1-CG 4.27Å; V759-E983 HydrophobicContact CG2-CG 4.31Å; V759-Q986 HydrophobicContact CG1-CB 4.37Å; V759-Q986 HydrophobicContact CG1-CG 4.02Å; V759-Q986 HydrophobicContact CG2-CB 4.07Å; V759-Q986 HydrophobicContact CG2-CG 3.91Å; V759-G987 VanDerWaalsContact CG2-CA 3.41Å; V759-G987 VanDerWaalsContact CG2-N 3.33Å; V759-A999 HydrophobicContact CG1-CB 3.37Å
760T96.7Very high96.5Very high16 Ų1644.7 Ų44.710%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-126.8152.9-168.2-161.90000110.8M764 I996 G997 A999T760-M764 PolarHBondContact OG1-SD 3.23Å; T760-I996 HydrophobicContact CG2-CG2 3.45Å; T760-I996 VanDerWaalsContact CG2-CG2 3.45Å; T760-G997 PolarHBondContact N-O 3.13Å; T760-A999 PolarHBondContact O-N 3.01Å
761T96.1Very high96.4Very high3 Ų348.6 Ų48.62%0.01821%0.211CC..  trans-91.6148.9167.264.30000107.9S709 S763 M764S709-T761 PolarHBondContact O-OG1 2.93Å; T761-S763 PolarHBondContact O-N 3.25Å; T761-M764 WeakPolarHBondContact O-CB 3.4Å; T761-M764 PolarHBondContact O-N 3.19Å; T761-M764 WeakPolarHBondContact OG1-CG 3.01Å
762R94.9Very high96.4Very high59 Ų5948.8 Ų48.822%0.22321%0.212CC..THydrogen-bonded Turntrans-58.8-34.2176.3-69.6177.1-179.7-1334.9111.9E24 W27 M764 E765 D998 T1000E24-R762 IonicContact OE1-CZ 2.78Å; E24-R762 IonicContact OE1-NH1 2.75Å; E24-R762 PolarHBondContact OE1-NH1 2.8Å; E24-R762 IonicContact OE1-NH2 2.84Å; E24-R762 PolarHBondContact OE1-NH2 3.04Å; E24-R762 IonicContact OE2-CZ 2.86Å; E24-R762 IonicContact OE2-NH1 2.61Å; E24-R762 PolarHBondContact OE2-NH1 3.39Å; E24-R762 IonicContact OE2-NH2 2.92Å; W27-R762 HydrophobicContact CD2-CB 3.88Å; W27-R762 HydrophobicContact CD2-CG 4.45Å; W27-R762 HydrophobicContact CE3-CB 3.86Å; W27-R762 HydrophobicContact CH2-CB 3.79Å; W27-R762 HydrophobicContact CZ2-CB 3.84Å; W27-R762 HydrophobicContact CZ2-CG 4.5Å; W27-R762 HydrophobicContact CZ3-CB 3.8Å; R762-M764 PolarHBondContact O-N 3Å; R762-E765 WeakPolarHBondContact O-CB 3.49Å; R762-E765 PolarHBondContact O-N 2.76Å; R762-E765 VanDerWaalsContact O-N 3.12Å; R762-D998 IonicContact CZ-OD2 3.77Å; R762-D998 IonicContact NE-OD2 3.69Å; R762-D998 PolarHBondContact NE-OD2 2.56Å; R762-D998 VanDerWaalsContact NE-OD2 3.1Å; R762-D998 IonicContact NH2-OD2 2.69Å; R762-T1000 PolarHBondContact N-OG1 3.42Å; R762-T1000 VanDerWaalsContact N-OG1 3.09Å
763S95.6Very high96.3Very high3 Ų344.9 Ų44.92%0.02120%0.198CC..Hα-helixtrans-57.6-22.9175.1-490000115M702 T761 E765 Y766 L767M702-S763 WeakPolarHBondContact CE-OG 3.35Å; T761-S763 PolarHBondContact O-N 3.25Å; S763-E765 PolarHBondContact O-N 3.19Å; S763-Y766 PolarHBondContact O-N 3.14Å; S763-L767 WeakPolarHBondContact O-CG 3.4Å; S763-L767 PolarHBondContact O-N 3.29Å
764M95.9Very high96.2Very high0 Ų038.1 Ų38.10%017%0.172CC..Hα-helixtrans-65.6-22.4177.9-77.4-171.9179.400113.8I710 P757 T760 T761 R762 L767 R768 F769 R938I710-M764 VanDerWaalsContact C-CE 3.48Å; I710-M764 HydrophobicContact CB-CE 3.74Å; I710-M764 HydrophobicContact CG2-CE 4.46Å; I710-M764 WeakPolarHBondContact O-CE 3.45Å; P757-M764 HydrophobicContact CG-CE 4.23Å; P757-M764 HydrophobicContact CG-SD 3.68Å; T760-M764 PolarHBondContact OG1-SD 3.23Å; T761-M764 WeakPolarHBondContact O-CB 3.4Å; T761-M764 PolarHBondContact O-N 3.19Å; T761-M764 WeakPolarHBondContact OG1-CG 3.01Å; R762-M764 PolarHBondContact O-N 3Å; M764-L767 PolarHBondContact O-N 3.48Å; M764-R768 PolarHBondContact O-N 2.79Å; M764-F769 HydrophobicContact CB-CB 4.23Å; M764-F769 HydrophobicContact CE-CD1 4.29Å; M764-F769 HydrophobicContact CE-CE1 4.48Å; M764-F769 HydrophobicContact CG-CB 4.36Å; M764-F769 PolarHBondContact O-N 3.33Å; M764-F769 VanDerWaalsContact O-N 3.1Å; M764-F769 HydrophobicContact SD-CD1 3.83Å; M764-F769 HydrophobicContact SD-CE1 4.48Å; M764-R938 VanDerWaalsContact CE-NH1 3.31Å
765E95.4Very high96.2Very high106 Ų10636.3 Ų36.350%0.49516%0.161SC..Hα-helixtrans-63.5-50.5177.1-177.8156.3-157.700110.9R762 S763 L767 R768R762-E765 WeakPolarHBondContact O-CB 3.49Å; R762-E765 PolarHBondContact O-N 2.76Å; R762-E765 VanDerWaalsContact O-N 3.12Å; S763-E765 PolarHBondContact O-N 3.19Å; E765-L767 VanDerWaalsContact C-N 3.27Å; E765-L767 PolarHBondContact O-N 3.29Å; E765-R768 WeakPolarHBondContact O-CA 3.19Å; E765-R768 PolarHBondContact O-N 2.87Å
766Y95.1Very high96.2Very high25 Ų2533 Ų3310%0.09815%0.145CC..Hα-helixtrans-66.2-30.5177.4-46.9-50.6000112.7W27 I30 S31 F34 S763 R768W27-Y766 AromaticContact CE3-CE2 3.83Å; W27-Y766 HydrophobicContact CE3-CE2 3.83Å; W27-Y766 AromaticContact CZ3-CE2 3.86Å; W27-Y766 HydrophobicContact CZ3-CE2 3.86Å; W27-Y766 PolarHBondContact O-OH 3.47Å; I30-Y766 HydrophobicContact CB-CE2 4.39Å; I30-Y766 HydrophobicContact CG2-CD2 4.1Å; I30-Y766 HydrophobicContact CG2-CE2 3.44Å; I30-Y766 VanDerWaalsContact CG2-CE2 3.44Å; S31-Y766 PolarHBondContact N-OH 3.03Å; F34-Y766 HydrophobicContact CB-CD1 4.03Å; F34-Y766 HydrophobicContact CB-CG 4.16Å; F34-Y766 AromaticContact CD2-CD1 3.94Å; F34-Y766 HydrophobicContact CD2-CD1 3.94Å; F34-Y766 AromaticContact CD2-CD2 3.52Å; F34-Y766 HydrophobicContact CD2-CD2 3.52Å; F34-Y766 HydrophobicContact CD2-CE1 4.46Å; F34-Y766 HydrophobicContact CD2-CE2 4.07Å; F34-Y766 AromaticContact CD2-CG 3.44Å; F34-Y766 HydrophobicContact CD2-CG 3.44Å; F34-Y766 VanDerWaalsContact CD2-CG 3.44Å; F34-Y766 AromaticContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CE2 4.36Å; F34-Y766 HydrophobicContact CE2-CG 4.1Å; F34-Y766 HydrophobicContact CG-CD1 4.32Å; F34-Y766 HydrophobicContact CG-CD2 4.46Å; F34-Y766 AromaticContact CG-CG 3.97Å; F34-Y766 HydrophobicContact CG-CG 3.97Å; S763-Y766 PolarHBondContact O-N 3.14Å; Y766-R768 PolarHBondContact O-N 3.18Å
767L94.8Very high96.3Very high4 Ų429.8 Ų29.82%0.02113%0.133CC..THydrogen-bonded Turntrans-75-4.2172.9-62.4-177.3000113.5L39 F475 L479 L528 V706 I710 S763 M764 E765 F769L39-L767 HydrophobicContact CD1-CD2 3.83Å; L39-L767 HydrophobicContact CD2-CD2 4.25Å; F475-L767 VanDerWaalsContact CE1-O 3.25Å; F475-L767 WeakPolarHBondContact CE1-O 3.24Å; L479-L767 HydrophobicContact CD1-CD2 4.38Å; L528-L767 HydrophobicContact CD2-CD2 4.09Å; V706-L767 HydrophobicContact CB-CD2 4.37Å; V706-L767 HydrophobicContact CG1-CD1 4.22Å; V706-L767 HydrophobicContact CG1-CD2 3.86Å; V706-L767 HydrophobicContact CG2-CD2 4.16Å; V706-L767 WeakPolarHBondContact O-CD1 3.29Å; I710-L767 HydrophobicContact CG2-CD1 4.13Å; S763-L767 WeakPolarHBondContact O-CG 3.4Å; S763-L767 PolarHBondContact O-N 3.29Å; M764-L767 PolarHBondContact O-N 3.48Å; E765-L767 VanDerWaalsContact C-N 3.27Å; E765-L767 PolarHBondContact O-N 3.29Å; L767-F769 HydrophobicContact CB-CB 4.43Å; L767-F769 PolarHBondContact O-N 2.97Å
768R96.5Very high96.3Very high101 Ų10129.8 Ų29.838%0.38113%0.132SC..THydrogen-bonded Turntrans52.627.7-175.1-55-73.2170.8-179.8-3.3112.5F475 M764 E765 Y766 R770 E771 L772F475-R768 HydrophobicContact CE1-CB 4.08Å; M764-R768 PolarHBondContact O-N 2.79Å; E765-R768 WeakPolarHBondContact O-CA 3.19Å; E765-R768 PolarHBondContact O-N 2.87Å; Y766-R768 PolarHBondContact O-N 3.18Å; R768-R770 PolarHBondContact O-N 2.98Å; R768-E771 WeakPolarHBondContact CD-OE1 3.38Å; R768-E771 WeakPolarHBondContact CD-OE2 3.3Å; R768-E771 IonicContact CZ-OE1 2.86Å; R768-E771 IonicContact NE-OE1 3.99Å; R768-E771 IonicContact NH1-OE1 2.97Å; R768-E771 PolarHBondContact NH1-OE1 2.84Å; R768-E771 WeakPolarHBondContact O-CB 3.37Å; R768-E771 PolarHBondContact O-N 2.85Å; R768-E771 VanDerWaalsContact O-N 3.14Å; R768-L772 PolarHBondContact O-N 3.2Å
769F95.8Very high96.3Very high7 Ų730.2 Ų30.23%0.03113%0.134CC..THydrogen-bonded Turntrans-70.9-24.7-175.3-170.7-97.1000112.2I710 P757 M764 L767 E771 L772 P773 A774 Y1047I710-F769 HydrophobicContact CG2-CD2 4.42Å; P757-F769 HydrophobicContact CG-CD1 4.43Å; P757-F769 HydrophobicContact CG-CE1 4.36Å; M764-F769 HydrophobicContact CB-CB 4.23Å; M764-F769 HydrophobicContact CE-CD1 4.29Å; M764-F769 HydrophobicContact CE-CE1 4.48Å; M764-F769 HydrophobicContact CG-CB 4.36Å; M764-F769 PolarHBondContact O-N 3.33Å; M764-F769 VanDerWaalsContact O-N 3.1Å; M764-F769 HydrophobicContact SD-CD1 3.83Å; M764-F769 HydrophobicContact SD-CE1 4.48Å; L767-F769 HydrophobicContact CB-CB 4.43Å; L767-F769 PolarHBondContact O-N 2.97Å; F769-E771 VanDerWaalsContact C-N 3.3Å; F769-L772 CarbonylContact O-C 3.55Å; F769-P773 HydrophobicContact CE1-CB 4.47Å; F769-P773 WeakPolarHBondContact O-CA 3.32Å; F769-A774 HydrophobicContact CE2-CB 4.22Å; F769-A774 HydrophobicContact CZ-CB 4.27Å; F769-Y1047 HydrophobicContact CE1-CE1 4.23Å; F769-Y1047 HydrophobicContact CZ-CE1 4.24Å
770R94.7Very high96.4Very high111 Ų11130.1 Ų30.142%0.41913%0.134SC..THydrogen-bonded Turntrans-66.6-33.3173-69.3175.861.8158.6-4.5112.2R768R768-R770 PolarHBondContact O-N 2.98Å
771E95.9Very high96.5Very high88 Ų8829.4 Ų29.441%0.41113%0.129SC..THydrogen-bonded Turntrans-78.9-42.2-179.6-62.2170.1-165.500110.9L179 R768 F769 P773L179-E771 HydrophobicContact CD1-CB 4.17Å; L179-E771 WeakPolarHBondContact CD1-OE2 3.39Å; L179-E771 WeakPolarHBondContact CD2-OE2 3.31Å; R768-E771 WeakPolarHBondContact CD-OE1 3.38Å; R768-E771 WeakPolarHBondContact CD-OE2 3.3Å; R768-E771 IonicContact CZ-OE1 2.86Å; R768-E771 IonicContact NE-OE1 3.99Å; R768-E771 IonicContact NH1-OE1 2.97Å; R768-E771 PolarHBondContact NH1-OE1 2.84Å; R768-E771 WeakPolarHBondContact O-CB 3.37Å; R768-E771 PolarHBondContact O-N 2.85Å; R768-E771 VanDerWaalsContact O-N 3.14Å; F769-E771 VanDerWaalsContact C-N 3.3Å; E771-P773 VanDerWaalsContact C-CD 3.43Å; E771-P773 WeakPolarHBondContact O-CD 3.14Å
772L96.7Very high96.5Very high10 Ų1030.2 Ų30.25%0.05213%0.133CC..SBendtrans-122.171.5179.8-63.5-179.8000112.8L179 F475 V735 T738 R768 F769L179-L772 HydrophobicContact CD1-CD1 3.85Å; L179-L772 HydrophobicContact CD1-CG 4Å; F475-L772 HydrophobicContact CB-CB 4.21Å; F475-L772 HydrophobicContact CB-CD1 4.22Å; F475-L772 HydrophobicContact CD2-CD1 3.87Å; F475-L772 HydrophobicContact CE2-CD1 4.42Å; F475-L772 HydrophobicContact CG-CB 4.49Å; F475-L772 HydrophobicContact CG-CD1 4Å; V735-L772 HydrophobicContact CB-CD2 4.01Å; V735-L772 HydrophobicContact CG1-CD2 3.65Å; T738-L772 HydrophobicContact CG2-CD2 4.24Å; R768-L772 PolarHBondContact O-N 3.2Å; F769-L772 CarbonylContact O-C 3.55Å
773P96.9Very high96.7Very high9 Ų927.9 Ų27.96%0.05813%0.127CC..  trans-76.4160.7-178.219-17.3000114P754 Q755 F769 E771 Y1047P754-P773 HydrophobicContact CB-CG 4.02Å; Q755-P773 VanDerWaalsContact C-CG 3.47Å; Q755-P773 WeakPolarHBondContact O-CB 3.17Å; Q755-P773 WeakPolarHBondContact O-CG 3.5Å; F769-P773 HydrophobicContact CE1-CB 4.47Å; F769-P773 WeakPolarHBondContact O-CA 3.32Å; E771-P773 VanDerWaalsContact C-CD 3.43Å; E771-P773 WeakPolarHBondContact O-CD 3.14Å; P773-Y1047 WeakPolarHBondContact CB-OH 3.32Å
774A95.3Very high96.7Very high4 Ų431.5 Ų31.53%0.03315%0.152CC..  trans-121.433.8-175.200000115T474 A732 M733 F769 Y1047T474-A774 HydrophobicContact CG2-CB 4.06Å; A732-A774 HydrophobicContact CB-CB 4.06Å; M733-A774 CarbonylContact O-C 3.54Å; M733-A774 WeakPolarHBondContact O-CA 3.16Å; M733-A774 VanDerWaalsContact O-O 3.13Å; F769-A774 HydrophobicContact CE2-CB 4.22Å; F769-A774 HydrophobicContact CZ-CB 4.27Å; A774-Y1047 PolarHBondContact N-OH 3.03Å; A774-Y1047 VanDerWaalsContact N-OH 3.09Å
775G96.7Very high96.8Very high0 Ų032.2 Ų32.20%016%0.155CC..  trans-179.3-174.9-170.800000114.3Q755 Y1047 Y1048Q755-G775 PolarHBondContact N-O 3.02Å; G775-Y1047 VanDerWaalsContact C-CZ 3.49Å; G775-Y1047 VanDerWaalsContact CA-OH 3.24Å; G775-Y1047 WeakPolarHBondContact CA-OH 3.29Å; G775-Y1047 PolarHBondContact N-OH 2.93Å; G775-Y1048 CarbonylContact C-O 3.3Å; G775-Y1048 WeakPolarHBondContact CA-O 3.24Å
776I98.4Very high96.8Very high9 Ų930.2 Ų30.25%0.04615%0.15CC..EExtended strand (participates in β ladder)trans-138.3140.1-175.8-58.8-178.6000109.2Y753 Q755 S778 F805 F806 Y1048Y753-I776 WeakPolarHBondContact O-CD1 2.95Å; Y753-I776 WeakPolarHBondContact O-CG1 3.49Å; Q755-I776 HydrophobicContact CG-CG2 4.44Å; I776-S778 PolarHBondContact O-N 2.76Å; I776-S778 PolarHBondContact O-OG 2.87Å; I776-F805 HydrophobicContact CB-CE2 4.35Å; I776-F805 HydrophobicContact CD1-CD2 4.31Å; I776-F805 HydrophobicContact CG2-CD2 4.09Å; I776-F805 HydrophobicContact CG2-CE2 3.83Å; I776-F806 HydrophobicContact CB-CD1 4.37Å; I776-F806 HydrophobicContact CB-CE1 3.75Å; I776-F806 HydrophobicContact CB-CE2 4.26Å; I776-F806 HydrophobicContact CB-CZ 3.66Å; I776-F806 HydrophobicContact CD1-CB 4.46Å; I776-F806 HydrophobicContact CD1-CD1 3.68Å; I776-F806 HydrophobicContact CD1-CD2 4.47Å; I776-F806 HydrophobicContact CD1-CE1 3.95Å; I776-F806 HydrophobicContact CD1-CG 3.95Å; I776-F806 HydrophobicContact CD1-CZ 4.44Å; I776-F806 HydrophobicContact CG1-CD1 3.91Å; I776-F806 HydrophobicContact CG1-CE1 3.66Å; I776-F806 HydrophobicContact CG1-CZ 4.11Å; I776-Y1048 PolarHBondContact N-O 2.85Å; I776-Y1048 PolarHBondContact O-N 3.39Å
777N98.3Very high96.8Very high28 Ų2830.3 Ų30.315%0.1516%0.158CC..EExtended strand (participates in β ladder)trans-73.2112.2169.6-56-73.7000108.5Q755 K756 P757 L758Q755-N777 PolarHBondContact OE1-ND2 3.48Å; K756-N777 PolarHBondContact O-ND2 3.14Å; P757-N777 WeakPolarHBondContact CA-OD1 3.32Å; L758-N777 HydrophobicContact CD1-CB 4.14Å; L758-N777 HydrophobicContact CG-CB 4.33Å; L758-N777 PolarHBondContact N-OD1 3.09Å
778S98Very high96.9Very high0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-106.6141.5-175.7-50.20000109.2I776 V780 F805 P1045 T1046I776-S778 PolarHBondContact O-N 2.76Å; I776-S778 PolarHBondContact O-OG 2.87Å; S778-V780 PolarHBondContact O-N 2.86Å; S778-F805 WeakPolarHBondContact OG-CE2 3.37Å; S778-F805 VanDerWaalsContact OG-CZ 3.26Å; S778-F805 WeakPolarHBondContact OG-CZ 3.39Å; S778-P1045 CarbonylContact O-C 3.5Å; S778-P1045 WeakPolarHBondContact O-CA 3.21Å; S778-T1046 PolarHBondContact N-O 3.4Å; S778-T1046 PolarHBondContact O-N 2.89Å
779I98.5Very high96.9Very high49 Ų4931.3 Ų31.325%0.25116%0.163SC..EExtended strand (participates in β ladder)trans-76.6112.1168.6-55.5-56.5000108.4I961 P963 D964 I965 I1043 P1045I779-I961 HydrophobicContact CG2-CG2 4.33Å; I779-P963 HydrophobicContact CG2-CB 4.35Å; I779-P963 CarbonylContact O-C 3.56Å; I779-D964 PolarHBondContact N-OD2 2.86Å; I779-D964 PolarHBondContact O-N 3.49Å; I779-I965 PolarHBondContact O-N 3.14Å; I779-I965 VanDerWaalsContact O-N 3.15Å; I779-I1043 HydrophobicContact CG2-CD1 3.87Å; I779-I1043 HydrophobicContact CG2-CG1 3.83Å; I779-P1045 HydrophobicContact CD1-CB 3.9Å
780V98.1Very high96.8Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-107.1128.8-176.3-177.50000109.8S778 I965 I967 I1043 G1044 Y1048S778-V780 PolarHBondContact O-N 2.86Å; V780-I965 WeakPolarHBondContact CA-O 3.48Å; V780-I965 HydrophobicContact CG2-CB 4.46Å; V780-I967 HydrophobicContact CG1-CD1 4.21Å; V780-I967 HydrophobicContact CG1-CG1 3.98Å; V780-I967 HydrophobicContact CG1-CG2 4.22Å; V780-I1043 CarbonylContact O-C 3.59Å; V780-I1043 VanDerWaalsContact O-CA 3.27Å; V780-I1043 WeakPolarHBondContact O-CA 3.2Å; V780-G1044 PolarHBondContact N-O 3.24Å; V780-G1044 PolarHBondContact O-N 3.16Å; V780-Y1048 HydrophobicContact CG2-CD2 3.97Å; V780-Y1048 HydrophobicContact CG2-CE2 3.57Å
781A98.1Very high96.6Very high1 Ų139.5 Ų39.51%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-109.4134.1167.800000110.4P963 I965 I966 I967 I1041 F1042 I1043A781-P963 HydrophobicContact CB-CB 3.77Å; A781-P963 HydrophobicContact CB-CG 3.85Å; A781-I965 PolarHBondContact N-O 3.14Å; A781-I966 HydrophobicContact CB-CG1 4.3Å; A781-I966 CarbonylContact O-C 3.5Å; A781-I966 VanDerWaalsContact O-CA 3.29Å; A781-I966 WeakPolarHBondContact O-CA 3.44Å; A781-I967 PolarHBondContact O-N 3Å; A781-I1041 HydrophobicContact CB-CG2 3.99Å; A781-F1042 WeakPolarHBondContact CA-O 3.46Å; A781-I1043 HydrophobicContact CB-CB 4.29Å; A781-I1043 HydrophobicContact CB-CD1 4.31Å; A781-I1043 HydrophobicContact CB-CG1 4.15Å
782I97.9Very high96.2Very high20 Ų2038.5 Ų38.510%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-98.295176.4-51.6-172.1000107.9I967 P969 L981 F1042I782-I967 WeakPolarHBondContact CA-O 3.48Å; I782-I967 HydrophobicContact CB-CG1 4.3Å; I782-I967 HydrophobicContact CD1-CD1 4.12Å; I782-I967 HydrophobicContact CG1-CD1 3.91Å; I782-I967 HydrophobicContact CG1-CG1 3.79Å; I782-I967 HydrophobicContact CG2-CG1 4.32Å; I782-P969 HydrophobicContact CG2-CB 3.97Å; I782-L981 HydrophobicContact CD1-CD2 3.34Å; I782-F1042 HydrophobicContact CD1-CD1 3.74Å; I782-F1042 HydrophobicContact CD1-CE1 4.19Å; I782-F1042 HydrophobicContact CG1-CD1 4.05Å; I782-F1042 PolarHBondContact N-O 3Å
783A97.8Very high96.2Very high10 Ų1039 Ų398%0.08321%0.208CC..  trans-149.4148.9-174.700000112.2N789 I966 I967 P969 I1041A783-N789 PolarHBondContact O-ND2 3.09Å; A783-I966 HydrophobicContact CB-CG2 3.98Å; A783-I966 WeakPolarHBondContact O-CG2 3.16Å; A783-I967 PolarHBondContact N-O 3.12Å; A783-I967 VanDerWaalsContact O-O 3.11Å; A783-P969 VanDerWaalsContact C-CD 3.43Å; A783-I1041 HydrophobicContact CB-CD1 3.84Å; A783-I1041 HydrophobicContact CB-CG1 4.35Å; A783-I1041 HydrophobicContact CB-CG2 3.84Å
784S97.2Very high96.2Very high79 Ų7939 Ų3955%0.55221%0.208SC*.  trans-83.7112162.4-175.80000108.2
785Y96.7Very high96.4Very high16 Ų1638.9 Ų38.96%0.06321%0.206CC..  trans-134.2125.4-178.6-167.4-112.8000109.4G787 I795 D953 I966 N1030 F1032Y785-G787 PolarHBondContact O-N 3.49Å; Y785-I795 HydrophobicContact CD1-CD1 4.39Å; Y785-I795 WeakPolarHBondContact O-CD1 3.43Å; Y785-D953 PolarHBondContact OH-O 3.24Å; Y785-I966 HydrophobicContact CD1-CD1 4.1Å; Y785-I966 HydrophobicContact CG-CD1 4.39Å; Y785-N1030 PolarHBondContact OH-OD1 3.32Å; Y785-F1032 AromaticContact CE1-CE2 3.96Å; Y785-F1032 HydrophobicContact CE1-CE2 3.96Å; Y785-F1032 HydrophobicContact CE1-CZ 4.43Å; Y785-F1032 HydrophobicContact CE2-CE2 4.5Å; Y785-F1032 AromaticContact CZ-CE2 3.6Å; Y785-F1032 WeakPolarHBondContact OH-CD2 3.44Å; Y785-F1032 WeakPolarHBondContact OH-CE2 3.49Å
786T95.5Very high96.4Very high63 Ų6338.9 Ų38.939%0.38721%0.206SC..SBendtrans56.3-11.2177.5640000118.2Y949 F1032T786-Y949 HydrophobicContact CG2-CE2 4.03Å; T786-Y949 WeakPolarHBondContact OG1-CE2 3.42Å; T786-F1032 HydrophobicContact CG2-CE2 3.71Å; T786-F1032 HydrophobicContact CG2-CZ 4.15Å
787G94.8Very high96.4Very high27 Ų2738.5 Ų38.528%0.27821%0.205SC..SBendtrans92-17.2179.500000115.2Y785 N789 Q790Y785-G787 PolarHBondContact O-N 3.49Å; G787-N789 PolarHBondContact O-N 3.16Å; G787-N789 VanDerWaalsContact O-N 3.09Å; G787-Q790 WeakPolarHBondContact O-CB 3.36Å; G787-Q790 WeakPolarHBondContact O-CG 3.13Å; G787-Q790 PolarHBondContact O-N 3.43Å; G787-Q790 VanDerWaalsContact O-N 3.15Å
788Y96.8Very high96.4Very high126 Ų12641 Ų4149%0.49421%0.212SC..THydrogen-bonded Turntrans-743.8-177-70.7-78.1000115.8S793 I947Y788-S793 PolarHBondContact O-OG 2.89Å; Y788-I947 HydrophobicContact CD1-CB 4.14Å; Y788-I947 HydrophobicContact CD1-CD1 4.17Å; Y788-I947 HydrophobicContact CD1-CG2 4.41Å; Y788-I947 HydrophobicContact CD2-CB 4.47Å; Y788-I947 HydrophobicContact CD2-CD1 3.85Å; Y788-I947 HydrophobicContact CD2-CG2 4.07Å; Y788-I947 HydrophobicContact CE1-CD1 4.13Å; Y788-I947 HydrophobicContact CE2-CD1 3.8Å; Y788-I947 HydrophobicContact CG-CB 3.94Å; Y788-I947 HydrophobicContact CG-CD1 4.04Å; Y788-I947 HydrophobicContact CG-CG2 3.71Å
789N96Very high96.4Very high1 Ų141.9 Ų41.91%0.00522%0.218CC..THydrogen-bonded Turntrans-111.19.5171.365.8-6.3000113.3A783 G787 S793 I795 N968A783-N789 PolarHBondContact O-ND2 3.09Å; G787-N789 PolarHBondContact O-N 3.16Å; G787-N789 VanDerWaalsContact O-N 3.09Å; N789-S793 CarbonylContact C-O 3.59Å; N789-S793 WeakPolarHBondContact CA-O 2.96Å; N789-S793 WeakPolarHBondContact CA-OG 3.27Å; N789-S793 WeakPolarHBondContact CB-O 3.16Å; N789-I795 HydrophobicContact CB-CD1 3.83Å; N789-I795 HydrophobicContact CB-CG1 3.94Å; N789-N968 HydrophobicContact CB-CB 4.39Å; N789-N968 WeakPolarHBondContact O-CB 3.42Å
790Q94.1Very high96.4Very high111 Ų11139.9 Ų39.952%0.51921%0.209SC..  trans-68.4155.5175.2-70.2178.3-6.900112.3G787 S793G787-Q790 WeakPolarHBondContact O-CB 3.36Å; G787-Q790 WeakPolarHBondContact O-CG 3.13Å; G787-Q790 PolarHBondContact O-N 3.43Å; G787-Q790 VanDerWaalsContact O-N 3.15Å; Q790-S793 PolarHBondContact N-OG 3.33Å; Q790-S793 PolarHBondContact O-N 2.76Å; Q790-S793 PolarHBondContact O-OG 2.91Å
791E90.2Very high96.4Very high179 Ų17939.9 Ų39.984%0.83621%0.209SC*.THydrogen-bonded Turntrans49.264.9173.7-64.4-59.4147.800114.3S793E791-S793 PolarHBondContact O-N 3.23Å
792D88.9Confident96.4Very high66 Ų6643.4 Ų43.435%0.35323%0.228SC..THydrogen-bonded Turntrans60.125.9177.8-66.6-35.5000115.7G943 T944 R975D792-G943 CarbonylContact O-C 3.44Å; D792-G943 WeakPolarHBondContact O-CA 3.34Å; D792-T944 PolarHBondContact O-N 2.89Å; D792-T944 VanDerWaalsContact O-N 3.08Å; D792-R975 IonicContact OD1-CZ 3.74Å; D792-R975 IonicContact OD1-NH1 2.65Å; D792-R975 PolarHBondContact OD1-NH1 3.35Å; D792-R975 IonicContact OD1-NH2 3.9Å; D792-R975 PolarHBondContact OD1-NH2 3.5Å; D792-R975 IonicContact OD2-CZ 3.72Å; D792-R975 IonicContact OD2-NH1 3.67Å; D792-R975 IonicContact OD2-NH2 2.82Å; D792-R975 PolarHBondContact OD2-NH2 3.27Å
793S95.4Very high96.4Very high21 Ų2150.8 Ų50.815%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-101.8158.4168.162.60000112Y788 N789 Q790 E791 T944Y788-S793 PolarHBondContact O-OG 2.89Å; N789-S793 CarbonylContact C-O 3.59Å; N789-S793 WeakPolarHBondContact CA-O 2.96Å; N789-S793 WeakPolarHBondContact CA-OG 3.27Å; N789-S793 WeakPolarHBondContact CB-O 3.16Å; Q790-S793 PolarHBondContact N-OG 3.33Å; Q790-S793 PolarHBondContact O-N 2.76Å; Q790-S793 PolarHBondContact O-OG 2.91Å; E791-S793 PolarHBondContact O-N 3.23Å; S793-T944 CarbonylContact C-O 3.56Å; S793-T944 VanDerWaalsContact CA-O 3.24Å; S793-T944 WeakPolarHBondContact CA-O 3.48Å
794V97.6Very high96.3Very high10 Ų1050.5 Ų50.56%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-128.1141.2177.3-56.20000110.4T944 G946 I965 I967V794-T944 PolarHBondContact N-O 2.83Å; V794-G946 PolarHBondContact O-N 3.34Å; V794-I965 HydrophobicContact CB-CG2 3.93Å; V794-I965 HydrophobicContact CG1-CG2 4.32Å; V794-I965 HydrophobicContact CG2-CG2 4.34Å; V794-I967 HydrophobicContact CG1-CG2 3.82Å
795I98.4Very high96.4Very high0 Ų047.7 Ų47.70%023%0.231CC..EExtended strand (participates in β ladder)trans-88.1134.6168.6-67.6155000107.4Y785 N789 I947 Y949 M954 I965 I966Y785-I795 HydrophobicContact CD1-CD1 4.39Å; Y785-I795 WeakPolarHBondContact O-CD1 3.43Å; N789-I795 HydrophobicContact CB-CD1 3.83Å; N789-I795 HydrophobicContact CB-CG1 3.94Å; I795-I947 HydrophobicContact CB-CG2 4.35Å; I795-I947 HydrophobicContact CG1-CG2 3.72Å; I795-I947 HydrophobicContact CG2-CG2 4.18Å; I795-Y949 HydrophobicContact CG2-CD2 3.66Å; I795-Y949 HydrophobicContact CG2-CE2 4.26Å; I795-M954 HydrophobicContact CG2-CE 4.48Å; I795-M954 HydrophobicContact CG2-SD 4.08Å; I795-I965 CarbonylContact O-C 3.59Å; I795-I965 WeakPolarHBondContact O-CA 3.25Å; I795-I966 HydrophobicContact CB-CB 4.2Å; I795-I966 HydrophobicContact CG2-CD1 4.34Å; I795-I966 PolarHBondContact N-O 3.12Å; I795-I966 VanDerWaalsContact N-O 3.13Å; I795-I966 PolarHBondContact O-N 2.94Å
796M98.2Very high96.5Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-122147.1-178.5-169.3173.6-65.500111.6R798 V801 F805 P929 F935 I947 Q948 Y949 D964 I965M796-R798 PolarHBondContact O-N 2.81Å; M796-V801 HydrophobicContact CG-CG2 4.13Å; M796-V801 HydrophobicContact SD-CG2 3.75Å; M796-F805 HydrophobicContact CG-CD1 4.46Å; M796-F805 HydrophobicContact CG-CE1 4.2Å; M796-F805 HydrophobicContact SD-CD1 4.19Å; M796-F805 HydrophobicContact SD-CE1 4.08Å; M796-P929 HydrophobicContact SD-CB 4.21Å; M796-F935 HydrophobicContact CE-CD1 4.21Å; M796-F935 HydrophobicContact CE-CD2 3.79Å; M796-F935 HydrophobicContact CE-CE1 3.99Å; M796-F935 HydrophobicContact CE-CE2 3.58Å; M796-F935 HydrophobicContact CE-CG 4.13Å; M796-F935 HydrophobicContact CE-CZ 3.7Å; M796-F935 HydrophobicContact SD-CZ 4.38Å; M796-I947 PolarHBondContact N-O 2.89Å; M796-Q948 HydrophobicContact CB-CG 4.37Å; M796-Q948 WeakPolarHBondContact O-CA 3.34Å; M796-Y949 PolarHBondContact O-N 2.94Å; M796-Y949 VanDerWaalsContact O-N 3.08Å; M796-D964 CarbonylContact C-O 3.42Å; M796-D964 WeakPolarHBondContact CA-O 3.21Å; M796-I965 HydrophobicContact CE-CD1 4.34Å; M796-I965 HydrophobicContact CE-CG1 4.42Å
797N98.4Very high96.6Very high1 Ų147 Ų471%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-76.9112.7176.9-169.5-27.4000110.8S799 A800 V801 Y949 M954 T962 P963 D964N797-S799 VanDerWaalsContact C-N 3.34Å; N797-S799 PolarHBondContact O-N 3.01Å; N797-S799 WeakPolarHBondContact OD1-CB 3.29Å; N797-S799 PolarHBondContact OD1-N 3.17Å; N797-A800 HydrophobicContact CB-CB 4.01Å; N797-A800 WeakPolarHBondContact O-CB 3.03Å; N797-A800 PolarHBondContact O-N 2.91Å; N797-A800 PolarHBondContact OD1-N 2.92Å; N797-V801 PolarHBondContact O-N 2.89Å; N797-Y949 CarbonylContact C-O 3.53Å; N797-Y949 WeakPolarHBondContact CA-O 3.46Å; N797-M954 HydrophobicContact CB-CE 4.25Å; N797-T962 PolarHBondContact ND2-OG1 3.17Å; N797-P963 PolarHBondContact ND2-O 2.83Å; N797-D964 PolarHBondContact N-O 3.43Å
798R98.3Very high96.7Very high80 Ų8045.8 Ų45.830%0.30221%0.208SC..Hα-helixtrans-61.4-41.5179-178.263.4-156.5-170.90.2111.9M796 A800 V801 D802 Q948 Y949 R950M796-R798 PolarHBondContact O-N 2.81Å; R798-A800 VanDerWaalsContact C-N 3.27Å; R798-A800 PolarHBondContact O-N 2.97Å; R798-V801 WeakPolarHBondContact O-CB 3.28Å; R798-V801 PolarHBondContact O-N 2.79Å; R798-V801 VanDerWaalsContact O-N 3.12Å; R798-D802 IonicContact CZ-OD1 2.67Å; R798-D802 IonicContact NE-OD1 3.68Å; R798-D802 PolarHBondContact NE-OD1 3.22Å; R798-D802 VanDerWaalsContact NE-OD1 3.08Å; R798-D802 IonicContact NE-OD2 3.62Å; R798-D802 PolarHBondContact NE-OD2 3.17Å; R798-D802 IonicContact NH2-OD1 3.03Å; R798-D802 PolarHBondContact NH2-OD1 3.29Å; R798-D802 VanDerWaalsContact O-CG 3.32Å; R798-D802 PolarHBondContact O-N 3.19Å; R798-Q948 HydrophobicContact CB-CB 4.02Å; R798-Y949 VanDerWaalsContact CB-O 3.32Å; R798-Y949 WeakPolarHBondContact CB-O 3.48Å; R798-Y949 PolarHBondContact N-O 2.93Å; R798-R950 HydrophobicContact CB-CG 4.11Å; R798-R950 HydrophobicContact CG-CG 4.16Å
799S98.1Very high96.7Very high19 Ų1940.4 Ų40.413%0.13319%0.188CC..Hα-helixtrans-64.8-33.9-179.8-56.40000111.6N797 D802 R803 Q951N797-S799 VanDerWaalsContact C-N 3.34Å; N797-S799 PolarHBondContact O-N 3.01Å; N797-S799 WeakPolarHBondContact OD1-CB 3.29Å; N797-S799 PolarHBondContact OD1-N 3.17Å; S799-D802 PolarHBondContact O-N 3.33Å; S799-R803 VanDerWaalsContact O-CG 3.27Å; S799-R803 WeakPolarHBondContact O-CG 3.2Å; S799-R803 PolarHBondContact O-N 2.85Å; S799-Q951 PolarHBondContact OG-N 3.25Å
800A98Very high96.7Very high8 Ų840.6 Ų40.67%0.06619%0.189CC..Hα-helixtrans-65.6-44.1171.900000111.5N797 R798 D802 R803 G804 F805N797-A800 HydrophobicContact CB-CB 4.01Å; N797-A800 WeakPolarHBondContact O-CB 3.03Å; N797-A800 PolarHBondContact O-N 2.91Å; N797-A800 PolarHBondContact OD1-N 2.92Å; R798-A800 VanDerWaalsContact C-N 3.27Å; R798-A800 PolarHBondContact O-N 2.97Å; A800-D802 VanDerWaalsContact C-N 3.29Å; A800-D802 PolarHBondContact O-N 2.87Å; A800-R803 CarbonylContact O-C 3.13Å; A800-R803 WeakPolarHBondContact O-CA 2.94Å; A800-R803 WeakPolarHBondContact O-CB 3.17Å; A800-R803 PolarHBondContact O-N 2.92Å; A800-R803 VanDerWaalsContact O-N 3.11Å; A800-G804 PolarHBondContact O-N 2.96Å; A800-G804 VanDerWaalsContact O-N 3.17Å; A800-F805 HydrophobicContact CB-CB 3.96Å; A800-F805 HydrophobicContact CB-CD1 4.37Å; A800-F805 HydrophobicContact CB-CG 4.24Å; A800-F805 WeakPolarHBondContact O-CB 3.32Å; A800-F805 PolarHBondContact O-N 2.94Å
801V98Very high96.9Very high0 Ų036.9 Ų36.90%017%0.17CC..Hα-helixtrans-60.5-38.9175174.20000111.8M796 N797 R798 R803 G804 F805 R807 I928 P929M796-V801 HydrophobicContact CG-CG2 4.13Å; M796-V801 HydrophobicContact SD-CG2 3.75Å; N797-V801 PolarHBondContact O-N 2.89Å; R798-V801 WeakPolarHBondContact O-CB 3.28Å; R798-V801 PolarHBondContact O-N 2.79Å; R798-V801 VanDerWaalsContact O-N 3.12Å; V801-R803 VanDerWaalsContact C-N 3.31Å; V801-R803 PolarHBondContact O-N 2.56Å; V801-G804 PolarHBondContact O-N 2.86Å; V801-G804 VanDerWaalsContact O-N 3.12Å; V801-F805 HydrophobicContact CG2-CD1 4.25Å; V801-R807 PolarHBondContact O-NE 2.87Å; V801-R807 VanDerWaalsContact O-NE 3.14Å; V801-R807 PolarHBondContact O-NH2 3.17Å; V801-R807 VanDerWaalsContact O-NH2 3.17Å; V801-I928 HydrophobicContact CG1-CG2 3.44Å; V801-I928 VanDerWaalsContact CG1-CG2 3.44Å; V801-P929 HydrophobicContact CG1-CB 4.13Å; V801-P929 HydrophobicContact CG1-CG 4.36Å; V801-P929 HydrophobicContact CG2-CB 4.1Å
802D97.8Very high97.1Very high75 Ų7529.7 Ų29.740%0.40114%0.135SC..Hα-helixtrans-67.2-32.3176.1-67.9-29.1000112R798 S799 A800 G804 R807R798-D802 IonicContact CZ-OD1 2.67Å; R798-D802 IonicContact NE-OD1 3.68Å; R798-D802 PolarHBondContact NE-OD1 3.22Å; R798-D802 VanDerWaalsContact NE-OD1 3.08Å; R798-D802 IonicContact NE-OD2 3.62Å; R798-D802 PolarHBondContact NE-OD2 3.17Å; R798-D802 IonicContact NH2-OD1 3.03Å; R798-D802 PolarHBondContact NH2-OD1 3.29Å; R798-D802 VanDerWaalsContact O-CG 3.32Å; R798-D802 PolarHBondContact O-N 3.19Å; S799-D802 PolarHBondContact O-N 3.33Å; A800-D802 VanDerWaalsContact C-N 3.29Å; A800-D802 PolarHBondContact O-N 2.87Å; D802-G804 VanDerWaalsContact C-N 3.26Å; D802-G804 PolarHBondContact O-N 2.6Å; D802-R807 PolarHBondContact O-NH2 2.82Å
803R97.8Very high97.4Very high174 Ų17427.2 Ų27.266%0.65712%0.124SC*.THydrogen-bonded Turntrans-76-6.9171.7-69169.5-173.9155.57.6114.3S799 A800 V801S799-R803 VanDerWaalsContact O-CG 3.27Å; S799-R803 WeakPolarHBondContact O-CG 3.2Å; S799-R803 PolarHBondContact O-N 2.85Å; A800-R803 CarbonylContact O-C 3.13Å; A800-R803 WeakPolarHBondContact O-CA 2.94Å; A800-R803 WeakPolarHBondContact O-CB 3.17Å; A800-R803 PolarHBondContact O-N 2.92Å; A800-R803 VanDerWaalsContact O-N 3.11Å; V801-R803 VanDerWaalsContact C-N 3.31Å; V801-R803 PolarHBondContact O-N 2.56Å
804G97.1Very high97.4Very high5 Ų527.5 Ų27.55%0.05212%0.122CC..THydrogen-bonded Turntrans111.26.9176.100000115.7A800 V801 D802 F806 R807A800-G804 PolarHBondContact O-N 2.96Å; A800-G804 VanDerWaalsContact O-N 3.17Å; V801-G804 PolarHBondContact O-N 2.86Å; V801-G804 VanDerWaalsContact O-N 3.12Å; D802-G804 VanDerWaalsContact C-N 3.26Å; D802-G804 PolarHBondContact O-N 2.6Å; G804-F806 PolarHBondContact O-N 3.05Å; G804-R807 PolarHBondContact O-N 3.26Å
805F98.1Very high97.2Very high20 Ų2032.7 Ų32.79%0.08814%0.143CC..THydrogen-bonded Turntrans-54.5125.7176.1-175.7-120.1000111I776 S778 M796 A800 V801 R807 P929 D964 I965I776-F805 HydrophobicContact CB-CE2 4.35Å; I776-F805 HydrophobicContact CD1-CD2 4.31Å; I776-F805 HydrophobicContact CG2-CD2 4.09Å; I776-F805 HydrophobicContact CG2-CE2 3.83Å; S778-F805 WeakPolarHBondContact OG-CE2 3.37Å; S778-F805 VanDerWaalsContact OG-CZ 3.26Å; S778-F805 WeakPolarHBondContact OG-CZ 3.39Å; M796-F805 HydrophobicContact CG-CD1 4.46Å; M796-F805 HydrophobicContact CG-CE1 4.2Å; M796-F805 HydrophobicContact SD-CD1 4.19Å; M796-F805 HydrophobicContact SD-CE1 4.08Å; A800-F805 HydrophobicContact CB-CB 3.96Å; A800-F805 HydrophobicContact CB-CD1 4.37Å; A800-F805 HydrophobicContact CB-CG 4.24Å; A800-F805 WeakPolarHBondContact O-CB 3.32Å; A800-F805 PolarHBondContact O-N 2.94Å; V801-F805 HydrophobicContact CG2-CD1 4.25Å; F805-R807 PolarHBondContact O-N 3.14Å; F805-P929 WeakPolarHBondContact O-CG 3.35Å; F805-D964 HydrophobicContact CE1-CB 4.17Å; F805-D964 HydrophobicContact CE2-CB 4.37Å; F805-D964 HydrophobicContact CZ-CB 3.87Å; F805-I965 HydrophobicContact CE1-CD1 4.34Å; F805-I965 HydrophobicContact CE1-CG1 4.27Å; F805-I965 HydrophobicContact CZ-CD1 4.19Å; F805-I965 HydrophobicContact CZ-CG1 4.32Å
806F98.3Very high97.1Very high1 Ų134.4 Ų34.40%0.00415%0.152CC..THydrogen-bonded Turntrans50.617.2-178.4-77-61000117.2L751 I776 G804 S808 P929 F935 Y1048 R1050L751-F806 HydrophobicContact CD2-CD1 4.23Å; I776-F806 HydrophobicContact CB-CD1 4.37Å; I776-F806 HydrophobicContact CB-CE1 3.75Å; I776-F806 HydrophobicContact CB-CE2 4.26Å; I776-F806 HydrophobicContact CB-CZ 3.66Å; I776-F806 HydrophobicContact CD1-CB 4.46Å; I776-F806 HydrophobicContact CD1-CD1 3.68Å; I776-F806 HydrophobicContact CD1-CD2 4.47Å; I776-F806 HydrophobicContact CD1-CE1 3.95Å; I776-F806 HydrophobicContact CD1-CG 3.95Å; I776-F806 HydrophobicContact CD1-CZ 4.44Å; I776-F806 HydrophobicContact CG1-CD1 3.91Å; I776-F806 HydrophobicContact CG1-CE1 3.66Å; I776-F806 HydrophobicContact CG1-CZ 4.11Å; G804-F806 PolarHBondContact O-N 3.05Å; F806-S808 PolarHBondContact O-N 2.93Å; F806-P929 HydrophobicContact CB-CG 3.64Å; F806-F935 HydrophobicContact CB-CE1 4.06Å; F806-F935 HydrophobicContact CD2-CD1 4.21Å; F806-F935 AromaticContact CD2-CE1 3.83Å; F806-F935 HydrophobicContact CD2-CE1 3.83Å; F806-F935 HydrophobicContact CE2-CD1 4.36Å; F806-F935 HydrophobicContact CE2-CE1 4.42Å; F806-F935 AromaticContact CG-CE1 3.92Å; F806-F935 HydrophobicContact CG-CE1 3.92Å; F806-Y1048 WeakPolarHBondContact CE1-O 3.35Å; F806-Y1048 VanDerWaalsContact CZ-O 3.27Å; F806-Y1048 WeakPolarHBondContact CZ-O 3.43Å; F806-R1050 HydrophobicContact CD1-CB 3.74Å; F806-R1050 HydrophobicContact CE1-CB 4.24Å; F806-R1050 HydrophobicContact CG-CB 4.26Å; F806-R1050 WeakPolarHBondContact O-CD 3.49Å; F806-R1050 PolarHBondContact O-NH1 3.26Å
807R98.1Very high96.8Very high64 Ų6437.9 Ų37.924%0.24217%0.168CC..  trans-60.5137.3172.3-72.4-171.3-171.7175.70.8110.1Y752 V801 D802 G804 F805 I928Y752-R807 HydrophobicContact CD1-CB 4.11Å; Y752-R807 WeakPolarHBondContact CD1-O 3.47Å; Y752-R807 HydrophobicContact CD2-CB 4.29Å; Y752-R807 HydrophobicContact CE1-CB 4.5Å; Y752-R807 HydrophobicContact CG-CB 4.01Å; Y752-R807 PolarHBondContact N-O 2.66Å; V801-R807 PolarHBondContact O-NE 2.87Å; V801-R807 VanDerWaalsContact O-NE 3.14Å; V801-R807 PolarHBondContact O-NH2 3.17Å; V801-R807 VanDerWaalsContact O-NH2 3.17Å; D802-R807 PolarHBondContact O-NH2 2.82Å; G804-R807 PolarHBondContact O-N 3.26Å; F805-R807 PolarHBondContact O-N 3.14Å; R807-I928 HydrophobicContact CG-CG1 4.43Å
808S97.3Very high96.5Very high0 Ų039.5 Ų39.50%018%0.175CC..EExtended strand (participates in β ladder)trans-128.5154.5176.762.80000110.9M733 V750 F806 R927 R1050M733-S808 WeakPolarHBondContact CE-OG 3.45Å; V750-S808 CarbonylContact O-C 3.59Å; V750-S808 WeakPolarHBondContact O-CA 3.27Å; V750-S808 VanDerWaalsContact O-CB 3.27Å; V750-S808 WeakPolarHBondContact O-CB 3.19Å; F806-S808 PolarHBondContact O-N 2.93Å; S808-R927 PolarHBondContact N-O 3.32Å; S808-R927 VanDerWaalsContact N-O 3.12Å; S808-R927 PolarHBondContact O-N 3.3Å; S808-R1050 PolarHBondContact OG-NH1 3.48Å; S808-R1050 VanDerWaalsContact OG-NH1 3.15Å
809V97.1Very high96Very high13 Ų1336.4 Ų36.48%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-103.5134.5166.458.20000108.2H749 V750 Y752 Y811 R924H749-V809 WeakPolarHBondContact CA-O 3.43Å; V750-V809 HydrophobicContact CB-CG1 3.87Å; V750-V809 PolarHBondContact N-O 3.28Å; V750-V809 PolarHBondContact O-N 3.32Å; Y752-V809 HydrophobicContact CE1-CB 3.95Å; Y752-V809 HydrophobicContact CE1-CG1 4.42Å; V809-Y811 HydrophobicContact CB-CE2 4.16Å; V809-Y811 HydrophobicContact CG1-CD2 4.27Å; V809-Y811 HydrophobicContact CG1-CE2 3.43Å; V809-Y811 VanDerWaalsContact CG1-CE2 3.43Å; V809-Y811 HydrophobicContact CG2-CD2 4.21Å; V809-Y811 HydrophobicContact CG2-CE1 4.07Å; V809-Y811 HydrophobicContact CG2-CE2 3.67Å; V809-R924 HydrophobicContact CG2-CB 4.15Å
810F96.6Very high95.2Very high5 Ų540 Ų402%0.02218%0.179CC..EExtended strand (participates in β ladder)trans-106.4123.9174.8174.1-111.4000108.6L747 A748 H749 R812 R924 S925 R927L747-F810 HydrophobicContact CD1-CE2 3.99Å; L747-F810 HydrophobicContact CD1-CZ 4.29Å; L747-F810 HydrophobicContact CD2-CE2 4.19Å; L747-F810 HydrophobicContact CG-CE2 3.68Å; L747-F810 HydrophobicContact CG-CZ 4.24Å; A748-F810 WeakPolarHBondContact O-CA 3.46Å; H749-F810 AromaticContact CE1-CD2 3.2Å; H749-F810 WeakPolarHBondContact CE1-CD2 3.37Å; H749-F810 AromaticContact CE1-CE2 3.61Å; H749-F810 AromaticContact ND1-CD2 3.56Å; H749-F810 AromaticContact NE2-CD2 3.68Å; H749-F810 AromaticContact NE2-CE2 3.7Å; F810-R812 HydrophobicContact CE1-CB 3.98Å; F810-R812 HydrophobicContact CZ-CB 4.21Å; F810-R924 CarbonylContact O-C 3.35Å; F810-R924 WeakPolarHBondContact O-CA 3.14Å; F810-S925 WeakPolarHBondContact CB-O 3.45Å; F810-S925 PolarHBondContact N-O 3.48Å; F810-S925 PolarHBondContact O-N 3.13Å; F810-R927 HydrophobicContact CB-CG 4.01Å
811Y96.3Very high94Very high33 Ų3345.1 Ų45.113%0.12920%0.2CC..EExtended strand (participates in β ladder)trans-108.6137.7172.6-62.3-83000110F740 L747 A748 V750 V809 D905 R922 V923 R924F740-Y811 HydrophobicContact CD2-CE2 4.35Å; F740-Y811 HydrophobicContact CE2-CE2 4.22Å; L747-Y811 WeakPolarHBondContact CA-O 3.5Å; A748-Y811 HydrophobicContact CB-CD2 4.48Å; A748-Y811 PolarHBondContact N-O 2.9Å; A748-Y811 PolarHBondContact O-N 3.1Å; V750-Y811 HydrophobicContact CG2-CE2 4.49Å; V809-Y811 HydrophobicContact CB-CE2 4.16Å; V809-Y811 HydrophobicContact CG1-CD2 4.27Å; V809-Y811 HydrophobicContact CG1-CE2 3.43Å; V809-Y811 VanDerWaalsContact CG1-CE2 3.43Å; V809-Y811 HydrophobicContact CG2-CD2 4.21Å; V809-Y811 HydrophobicContact CG2-CE1 4.07Å; V809-Y811 HydrophobicContact CG2-CE2 3.67Å; Y811-D905 HydrophobicContact CE1-CB 4.49Å; Y811-R922 HydrophobicContact CD1-CG 4.06Å; Y811-V923 WeakPolarHBondContact CA-O 3.25Å; Y811-R924 HydrophobicContact CD1-CB 3.78Å; Y811-R924 HydrophobicContact CE1-CB 3.65Å
812R95.3Very high92.9Very high28 Ų2848 Ų4811%0.10623%0.229CC..EExtended strand (participates in β ladder)trans-132.1129.1168176.3163.8-71.3-1789.7110.5T746 F810 Y814 R897 E900 R922 V923T746-R812 WeakPolarHBondContact O-CA 3.36Å; F810-R812 HydrophobicContact CE1-CB 3.98Å; F810-R812 HydrophobicContact CZ-CB 4.21Å; R812-Y814 HydrophobicContact CB-CE2 4.47Å; R812-Y814 HydrophobicContact CG-CD2 4.29Å; R812-Y814 HydrophobicContact CG-CE2 3.77Å; R812-R897 VanDerWaalsContact NH1-NE 3.11Å; R812-E900 WeakPolarHBondContact CD-OE2 3.49Å; R812-E900 IonicContact CZ-OE1 2.89Å; R812-E900 IonicContact CZ-OE2 3.35Å; R812-E900 IonicContact NE-OE1 2.86Å; R812-E900 IonicContact NE-OE2 3.79Å; R812-E900 IonicContact NH1-OE1 3.41Å; R812-E900 PolarHBondContact NH1-OE1 3.01Å; R812-E900 IonicContact NH1-OE2 3.9Å; R812-E900 PolarHBondContact NH1-OE2 3.09Å; R812-E900 IonicContact NH2-OE1 2.65Å; R812-E900 PolarHBondContact NH2-OE1 3.08Å; R812-R922 CarbonylContact O-C 3.55Å; R812-R922 WeakPolarHBondContact O-CA 3.45Å; R812-V923 PolarHBondContact N-O 2.84Å; R812-V923 PolarHBondContact O-N 2.8Å
813S95.3Very high91.7Very high15 Ų1553.8 Ų53.811%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-102.8126.9175.4-520000110.5D745 T746 I921D745-S813 VanDerWaalsContact O-CB 3.23Å; D745-S813 WeakPolarHBondContact O-CB 3.2Å; D745-S813 PolarHBondContact O-OG 3.49Å; T746-S813 PolarHBondContact O-N 2.95Å; T746-S813 VanDerWaalsContact O-N 3.17Å; S813-I921 CarbonylContact C-O 3.53Å; S813-I921 WeakPolarHBondContact CA-O 3.48Å
814Y95.2Very high90.7Very high27 Ų2751.2 Ų51.211%0.10625%0.251CS..EExtended strand (participates in β ladder)trans-97.1144.6167.6-65-92.1000108.5R812 I866 T894 L896 E900 K920 I921 V923R812-Y814 HydrophobicContact CB-CE2 4.47Å; R812-Y814 HydrophobicContact CG-CD2 4.29Å; R812-Y814 HydrophobicContact CG-CE2 3.77Å; Y814-I866 HydrophobicContact CD1-CD1 3.82Å; Y814-I866 HydrophobicContact CD2-CD1 3.49Å; Y814-I866 VanDerWaalsContact CD2-CD1 3.49Å; Y814-I866 HydrophobicContact CE1-CD1 4.33Å; Y814-I866 HydrophobicContact CE2-CD1 4.06Å; Y814-I866 HydrophobicContact CG-CD1 3.36Å; Y814-T894 HydrophobicContact CD1-CG2 4.35Å; Y814-L896 HydrophobicContact CE2-CD1 3.55Å; Y814-L896 WeakPolarHBondContact OH-CD1 3.49Å; Y814-E900 PolarHBondContact OH-OE2 3.4Å; Y814-K920 CarbonylContact O-C 3.51Å; Y814-K920 VanDerWaalsContact O-CA 3.27Å; Y814-K920 WeakPolarHBondContact O-CA 3.47Å; Y814-I921 PolarHBondContact N-O 3.14Å; Y814-I921 PolarHBondContact O-N 3.23Å; Y814-V923 HydrophobicContact CD2-CG2 4.33Å; Y814-V923 HydrophobicContact CE2-CG2 4.28Å
815K94.8Very high90Very high118 Ų11854.5 Ų54.551%0.51327%0.265SS..EExtended strand (participates in β ladder)trans-133.8141.2178.366.9177.2-177174.80109.8F918 C919 K920K815-F918 HydrophobicContact CB-CE2 3.96Å; K815-F918 HydrophobicContact CB-CZ 3.76Å; K815-F918 HydrophobicContact CD-CE2 4.43Å; K815-F918 HydrophobicContact CD-CZ 4.17Å; K815-F918 HydrophobicContact CG-CZ 4.48Å; K815-C919 WeakPolarHBondContact CA-O 3.46Å; K815-K920 HydrophobicContact CB-CG 3.97Å
816E94.9Very high89.6Confident37 Ų3757 Ų5717%0.17328%0.277CS..EExtended strand (participates in β ladder)trans-145154.1178.2-159.761.2-111.200109.7F829 I867 K869 T894 F918 C919E816-F829 HydrophobicContact CB-CE1 4.1Å; E816-F829 HydrophobicContact CB-CZ 4.06Å; E816-F829 HydrophobicContact CG-CE1 3.78Å; E816-F829 HydrophobicContact CG-CZ 4.13Å; E816-I867 HydrophobicContact CB-CD1 3.66Å; E816-I867 HydrophobicContact CB-CG2 4.07Å; E816-I867 HydrophobicContact CG-CG2 4.11Å; E816-K869 HydrophobicContact CG-CD 3.89Å; E816-K869 IonicContact OE1-NZ 3.09Å; E816-K869 PolarHBondContact OE1-NZ 3.49Å; E816-T894 PolarHBondContact OE2-OG1 2.57Å; E816-F918 WeakPolarHBondContact O-CD2 3.27Å; E816-F918 WeakPolarHBondContact O-CE2 3.41Å; E816-C919 PolarHBondContact N-O 3.24Å; E816-C919 PolarHBondContact O-N 3.22Å
817Q93Very high89.3Confident73 Ų7357.3 Ų57.334%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-133.8147.8179.473.9-178.52100111.2S819 F918Q817-S819 WeakPolarHBondContact CG-OG 3.48Å; Q817-S819 PolarHBondContact NE2-OG 2.84Å; Q817-S819 PolarHBondContact O-N 3.09Å; Q817-F918 HydrophobicContact CB-CD2 3.86Å
818E91.4Very high89.1Confident34 Ų3456.3 Ų56.316%0.15928%0.277CS..  trans-84.892.5175.4-165.8175.2-172.700109.2E827 I828 F829 Y916 K917E818-E827 WeakPolarHBondContact CG-O 3.38Å; E818-I828 WeakPolarHBondContact OE1-CA 3.2Å; E818-F829 HydrophobicContact CB-CE2 4.27Å; E818-Y916 WeakPolarHBondContact O-CB 3.22Å; E818-Y916 WeakPolarHBondContact O-CD1 3.2Å; E818-K917 HydrophobicContact CB-CB 3.98Å; E818-K917 WeakPolarHBondContact CB-O 3.44Å; E818-K917 PolarHBondContact N-O 2.96Å; E818-K917 WeakPolarHBondContact OE2-CB 3.44Å; E818-K917 IonicContact OE2-NZ 3.52Å
819S87.5Confident89Confident15 Ų1556.9 Ų56.911%0.10528%0.279CS..  trans-93.8133.4-176.5-54.70000111.9Q817 K821 E827Q817-S819 WeakPolarHBondContact CG-OG 3.48Å; Q817-S819 PolarHBondContact NE2-OG 2.84Å; Q817-S819 PolarHBondContact O-N 3.09Å; S819-K821 PolarHBondContact O-N 2.63Å; S819-E827 WeakPolarHBondContact O-CB 3.42Å; S819-E827 WeakPolarHBondContact O-CG 3.39Å; S819-E827 PolarHBondContact O-N 3.11Å
820K82.4Confident88.9Confident95 Ų9558.3 Ų58.341%0.41329%0.285SS..BIsolated β-bridgetrans-85.8104.4163.5-159.8160.7-166.1132.20109.5E826 Y916K820-E826 IonicContact NZ-OE1 2.85Å; K820-E826 PolarHBondContact NZ-OE1 2.95Å; K820-E826 IonicContact NZ-OE2 3.74Å; K820-Y916 HydrophobicContact CB-CE1 4.04Å
821K72.9Confident88.8Confident116 Ų11661.5 Ų61.550%0.50430%0.299SS..  trans-98.888-176.1-77.5-179.3176.8158.80110S819 Q825 E827S819-K821 PolarHBondContact O-N 2.63Å; K821-Q825 PolarHBondContact N-O 3.31Å; K821-Q825 WeakPolarHBondContact O-CB 3.35Å; K821-E827 VanDerWaalsContact CE-OE1 3.31Å; K821-E827 WeakPolarHBondContact CE-OE1 3.44Å; K821-E827 IonicContact NZ-OE1 3.84Å; K821-E827 PolarHBondContact NZ-OE1 3.12Å
822G73.1Confident88.7Confident60 Ų6060.1 Ų60.162%0.61929%0.294SS*.SBendtrans90.8-160.4-17700000112.1
823F72.9Confident88.4Confident197 Ų19761.5 Ų61.586%0.86431%0.306SS*.SBendtrans-78.2-48.4-177.1-78.6-84.8000112.4
824D77.1Confident88Confident120 Ų12069 Ų6964%0.64233%0.332SS*.SBendtrans-108.5-12.7-170.2-58.4-32.8000115.6T872D824-T872 PolarHBondContact O-OG1 3.42Å
825Q83.2Confident87.7Confident74 Ų7475.3 Ų75.335%0.34636%0.362SS..  trans-93.8107178.7-57.7179.51.700110.3K821 V871 T872K821-Q825 PolarHBondContact N-O 3.31Å; K821-Q825 WeakPolarHBondContact O-CB 3.35Å; Q825-V871 HydrophobicContact CB-CG2 4.28Å; Q825-T872 WeakPolarHBondContact CA-OG1 3.27Å
826E88.7Confident87.3Confident72 Ų7272.3 Ų72.334%0.33635%0.354SS..BIsolated β-bridgetrans-109.6125.2176.7-166.8154.1-125.600108.4K820 I828 V871 T872K820-E826 IonicContact NZ-OE1 2.85Å; K820-E826 PolarHBondContact NZ-OE1 2.95Å; K820-E826 IonicContact NZ-OE2 3.74Å; E826-I828 HydrophobicContact CG-CD1 4.4Å; E826-I828 HydrophobicContact CG-CG1 3.99Å; E826-V871 WeakPolarHBondContact O-CA 3.48Å; E826-T872 PolarHBondContact N-OG1 3.04Å; E826-T872 PolarHBondContact O-N 3.01Å; E826-T872 PolarHBondContact O-OG1 2.71Å
827E92Very high86.9Confident8 Ų870.7 Ų70.74%0.03735%0.347CS..EExtended strand (participates in β ladder)trans-79.8138.1164.5-61.8-177.6176.600107.7E818 S819 K821 K869 T870 V871E818-E827 WeakPolarHBondContact CG-O 3.38Å; S819-E827 WeakPolarHBondContact O-CB 3.42Å; S819-E827 WeakPolarHBondContact O-CG 3.39Å; S819-E827 PolarHBondContact O-N 3.11Å; K821-E827 VanDerWaalsContact CE-OE1 3.31Å; K821-E827 WeakPolarHBondContact CE-OE1 3.44Å; K821-E827 IonicContact NZ-OE1 3.84Å; K821-E827 PolarHBondContact NZ-OE1 3.12Å; E827-K869 HydrophobicContact CB-CD 4.24Å; E827-K869 HydrophobicContact CB-CG 4.4Å; E827-K869 IonicContact OE2-NZ 2.79Å; E827-K869 PolarHBondContact OE2-NZ 3.02Å; E827-T870 CarbonylContact C-O 3.51Å; E827-T870 WeakPolarHBondContact CA-O 3.12Å; E827-V871 HydrophobicContact CG-CB 4.19Å; E827-V871 HydrophobicContact CG-CG2 4.14Å
828I93.5Very high86.7Confident42 Ų4271.6 Ų71.622%0.21535%0.351CS..EExtended strand (participates in β ladder)trans-134.1140.8179.6-58.8175.3000109.1E818 E826 E830 K869 T870E818-I828 WeakPolarHBondContact OE1-CA 3.2Å; E826-I828 HydrophobicContact CG-CD1 4.4Å; E826-I828 HydrophobicContact CG-CG1 3.99Å; I828-E830 HydrophobicContact CG2-CB 4.38Å; I828-E830 HydrophobicContact CG2-CG 4.4Å; I828-K869 WeakPolarHBondContact O-CA 3.4Å; I828-T870 PolarHBondContact N-O 3.11Å; I828-T870 PolarHBondContact O-N 2.67Å
829F95.9Very high86.4Confident12 Ų1272.6 Ų72.65%0.05337%0.37CS..EExtended strand (participates in β ladder)trans-82.8113165.2-62.4-38.7000109.5E816 E818 D851 I867 K869 K917 C919E816-F829 HydrophobicContact CB-CE1 4.1Å; E816-F829 HydrophobicContact CB-CZ 4.06Å; E816-F829 HydrophobicContact CG-CE1 3.78Å; E816-F829 HydrophobicContact CG-CZ 4.13Å; E818-F829 HydrophobicContact CB-CE2 4.27Å; F829-D851 CarbonylContact C-O 3.58Å; F829-D851 VanDerWaalsContact C-O 3.3Å; F829-I867 HydrophobicContact CD1-CG2 3.97Å; F829-I867 HydrophobicContact CE1-CG2 3.78Å; F829-K869 HydrophobicContact CD1-CB 4.19Å; F829-K869 HydrophobicContact CD1-CD 4.32Å; F829-K869 HydrophobicContact CD1-CG 4.06Å; F829-K869 HydrophobicContact CE1-CB 4.36Å; F829-K869 HydrophobicContact CE1-CD 3.86Å; F829-K869 HydrophobicContact CE1-CG 4.11Å; F829-K917 HydrophobicContact CD2-CD 3.79Å; F829-K917 HydrophobicContact CD2-CG 4.18Å; F829-K917 HydrophobicContact CE2-CB 4.45Å; F829-K917 HydrophobicContact CE2-CD 4.37Å; F829-K917 HydrophobicContact CE2-CG 4.26Å; F829-C919 HydrophobicContact CE2-CB 4.36Å
830E94.4Very high86.4Confident44 Ų4473.8 Ų73.821%0.20638%0.375CS..SBendtrans-160.1163.5177.962.2177.8-178.700108.8I828 P832 G852 G868 T870 K889I828-E830 HydrophobicContact CG2-CB 4.38Å; I828-E830 HydrophobicContact CG2-CG 4.4Å; E830-P832 WeakPolarHBondContact O-CD 3.46Å; E830-G852 VanDerWaalsContact C-CA 3.41Å; E830-G868 PolarHBondContact N-O 3.22Å; E830-G868 CarbonylContact O-C 3.52Å; E830-T870 HydrophobicContact CG-CG2 3.87Å; E830-T870 WeakPolarHBondContact OE1-CB 3.31Å; E830-T870 WeakPolarHBondContact OE1-CG2 3.2Å; E830-T870 PolarHBondContact OE1-OG1 2.93Å; E830-K889 WeakPolarHBondContact OE1-CD 3.44Å; E830-K889 WeakPolarHBondContact OE1-CE 3.38Å; E830-K889 IonicContact OE1-NZ 3.87Å; E830-K889 PolarHBondContact OE1-NZ 3.24Å; E830-K889 IonicContact OE2-NZ 2.72Å; E830-K889 PolarHBondContact OE2-NZ 3.03Å
831K94.9Very high86.6Confident71 Ų7176.7 Ų76.731%0.30938%0.383SS..  trans-71.3113.4174.7-169.6166.4-175.1158.90111.2L848K831-L848 WeakPolarHBondContact CE-O 3.33Å; K831-L848 HydrophobicContact CG-CB 4.49Å; K831-L848 PolarHBondContact NZ-O 2.78Å
832P93.3Very high87.2Confident5 Ų580.3 Ų80.33%0.03240%0.402CS..  trans-70.2134.6179.4-15.931.7000110.8E830 C837 M840 Y845 T870E830-P832 WeakPolarHBondContact O-CD 3.46Å; P832-C837 HydrophobicContact CB-CB 4.45Å; P832-M840 HydrophobicContact CB-CE 4.15Å; P832-M840 HydrophobicContact CB-SD 4.43Å; P832-M840 WeakPolarHBondContact O-CE 3.38Å; P832-Y845 HydrophobicContact CB-CD1 4.16Å; P832-Y845 HydrophobicContact CB-CE1 4.17Å; P832-Y845 HydrophobicContact CG-CD1 3.92Å; P832-Y845 HydrophobicContact CG-CE1 3.99Å; P832-T870 HydrophobicContact CB-CG2 4.04Å; P832-T870 HydrophobicContact CG-CG2 4.02Å
833T90.6Very high87.9Confident56 Ų5678 Ų7834%0.34438%0.377SS..  trans-117.6147.4176.4720000111.3E835 T836 C837T833-E835 PolarHBondContact O-N 3.31Å; T833-E835 VanDerWaalsContact O-N 3.14Å; T833-T836 PolarHBondContact O-N 3.15Å; T833-T836 PolarHBondContact OG1-N 2.99Å; T833-T836 PolarHBondContact OG1-OG1 2.93Å; T833-C837 WeakPolarHBondContact O-CB 3.27Å; T833-C837 PolarHBondContact O-N 3.26Å
834R87.1Confident88.8Confident173 Ų17372.2 Ų72.265%0.65335%0.354SS*.THydrogen-bonded Turntrans-68.2-12.3-177.7-69.3-177.9-179.8177.13113.4M840 Y887R834-M840 WeakPolarHBondContact CA-SD 3.23Å; R834-M840 HydrophobicContact CB-SD 4.09Å; R834-M840 HydrophobicContact CG-CE 4.09Å; R834-M840 HydrophobicContact CG-SD 3.51Å; R834-M840 VanDerWaalsContact CG-SD 3.51Å; R834-M840 PolarHBondContact N-SD 2.85Å; R834-Y887 WeakPolarHBondContact O-CE1 3.48Å
835E87.3Confident89.7Confident159 Ų15967.1 Ų67.174%0.74333%0.326SS*.THydrogen-bonded Turntrans-84.4-41.6177.9-67.9165.1-167.800110.4T833T833-E835 PolarHBondContact O-N 3.31Å; T833-E835 VanDerWaalsContact O-N 3.14Å
836T86.3Confident90.2Very high55 Ų5569.9 Ų69.934%0.33734%0.343SS..THydrogen-bonded Turntrans-99.2-27-173.262.50000113.9T833 Y887 T888 K889T833-T836 PolarHBondContact O-N 3.15Å; T833-T836 PolarHBondContact OG1-N 2.99Å; T833-T836 PolarHBondContact OG1-OG1 2.93Å; T836-Y887 WeakPolarHBondContact O-CA 3.42Å; T836-T888 PolarHBondContact O-N 3.33Å; T836-K889 PolarHBondContact O-N 3.41Å
837C87.5Confident90.5Very high3 Ų369.5 Ų69.52%0.0234%0.34CS..EExtended strand (participates in β ladder)trans-105.2126.9-171.3-60.20000113.4P832 T833 M840 T870 K889P832-C837 HydrophobicContact CB-CB 4.45Å; T833-C837 WeakPolarHBondContact O-CB 3.27Å; T833-C837 PolarHBondContact O-N 3.26Å; C837-M840 HydrophobicContact CB-CG 4.11Å; C837-M840 HydrophobicContact CB-SD 4.34Å; C837-T870 VanDerWaalsContact SG-CG2 3.6Å; C837-K889 CarbonylContact C-O 3.59Å; C837-K889 WeakPolarHBondContact CA-O 3.46Å
838Q88.8Confident90.7Very high93 Ų9369.2 Ų69.244%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-79.3139.4168.3-169.5-176.32700110.9Y887 K889 R890 D891Q838-Y887 HydrophobicContact CB-CD2 4.1Å; Q838-Y887 HydrophobicContact CB-CG 3.99Å; Q838-Y887 HydrophobicContact CG-CD2 4.27Å; Q838-K889 PolarHBondContact N-O 3.34Å; Q838-R890 CarbonylContact O-C 3.59Å; Q838-R890 WeakPolarHBondContact O-CA 3.33Å; Q838-D891 PolarHBondContact O-N 3.48Å
839G85.1Confident90.7Very high55 Ų5571 Ų7157%0.56735%0.349SS*.THydrogen-bonded Turntrans86.714.9167.700000115.7R841G839-R841 PolarHBondContact O-N 2.94Å
840M87.9Confident90.6Very high40 Ų4077.2 Ų77.220%0.19738%0.383CS..  trans-56.2135.4171.7-69-173.375.400111.2P832 R834 C837 Y845 D891P832-M840 HydrophobicContact CB-CE 4.15Å; P832-M840 HydrophobicContact CB-SD 4.43Å; P832-M840 WeakPolarHBondContact O-CE 3.38Å; R834-M840 WeakPolarHBondContact CA-SD 3.23Å; R834-M840 HydrophobicContact CB-SD 4.09Å; R834-M840 HydrophobicContact CG-CE 4.09Å; R834-M840 HydrophobicContact CG-SD 3.51Å; R834-M840 VanDerWaalsContact CG-SD 3.51Å; R834-M840 PolarHBondContact N-SD 2.85Å; C837-M840 HydrophobicContact CB-CG 4.11Å; C837-M840 HydrophobicContact CB-SD 4.34Å; M840-Y845 HydrophobicContact CE-CD1 3.79Å; M840-Y845 HydrophobicContact CE-CD2 3.58Å; M840-Y845 HydrophobicContact CE-CE1 3.87Å; M840-Y845 HydrophobicContact CE-CE2 3.71Å; M840-Y845 HydrophobicContact CE-CG 3.64Å; M840-D891 HydrophobicContact CG-CB 4.26Å
841R85.4Confident90.6Very high155 Ų15579 Ų7959%0.58539%0.394SS*.  trans-82.4170.6178.2-60.4-170.7-173.2171.91.5110.7G839 A843 Y845 F895G839-R841 PolarHBondContact O-N 2.94Å; R841-A843 HydrophobicContact CB-CB 4.42Å; R841-A843 PolarHBondContact O-N 3.47Å; R841-Y845 PolarHBondContact N-OH 3.26Å; R841-F895 HydrophobicContact CB-CE1 4.2Å; R841-F895 HydrophobicContact CB-CZ 4.12Å; R841-F895 VanDerWaalsContact CD-CZ 3.48Å; R841-F895 HydrophobicContact CG-CE1 4.4Å; R841-F895 HydrophobicContact CG-CE2 4.39Å; R841-F895 HydrophobicContact CG-CZ 3.85Å; R841-F895 VanDerWaalsContact CZ-CE2 3.45Å; R841-F895 VanDerWaalsContact NH1-CD2 3.32Å
842H87.1Confident90.5Very high193 Ų19375.6 Ų75.689%0.89438%0.379SS*.SBendtrans-71.210.4173.3-62.7-66.2000114.2
843A87.3Confident90.7Very high12 Ų1275.7 Ų75.710%0.09938%0.379CS..SBendtrans-72.5164.3178.100000112.4R841 Y845 E863 V865 F895R841-A843 HydrophobicContact CB-CB 4.42Å; R841-A843 PolarHBondContact O-N 3.47Å; A843-Y845 HydrophobicContact CB-CE2 4.07Å; A843-Y845 VanDerWaalsContact O-CD2 3.23Å; A843-Y845 WeakPolarHBondContact O-CD2 3.39Å; A843-Y845 WeakPolarHBondContact O-CE2 3.47Å; A843-E863 VanDerWaalsContact CA-O 3.25Å; A843-E863 WeakPolarHBondContact CA-O 3.35Å; A843-E863 WeakPolarHBondContact CB-O 3.36Å; A843-V865 HydrophobicContact CB-CG2 3.9Å; A843-F895 HydrophobicContact CB-CD1 3.79Å; A843-F895 HydrophobicContact CB-CE1 3.6Å
844I92.1Very high90.9Very high75 Ų7573.1 Ų73.139%0.38536%0.363SS..BIsolated β-bridgetrans-88.4116.4176.5-55.6172.5000109.1D846 E863 V865I844-D846 HydrophobicContact CG2-CB 4.08Å; I844-E863 PolarHBondContact N-O 2.8Å; I844-V865 PolarHBondContact O-N 3.23Å
845Y94.4Very high91.4Very high12 Ų1266.5 Ų66.55%0.04735%0.345CS..  trans-98.7-7.1177.1-65.8-107.1000112.3P832 M840 R841 A843 K847 L848 V865 D891 F895P832-Y845 HydrophobicContact CB-CD1 4.16Å; P832-Y845 HydrophobicContact CB-CE1 4.17Å; P832-Y845 HydrophobicContact CG-CD1 3.92Å; P832-Y845 HydrophobicContact CG-CE1 3.99Å; M840-Y845 HydrophobicContact CE-CD1 3.79Å; M840-Y845 HydrophobicContact CE-CD2 3.58Å; M840-Y845 HydrophobicContact CE-CE1 3.87Å; M840-Y845 HydrophobicContact CE-CE2 3.71Å; M840-Y845 HydrophobicContact CE-CG 3.64Å; R841-Y845 PolarHBondContact N-OH 3.26Å; A843-Y845 HydrophobicContact CB-CE2 4.07Å; A843-Y845 VanDerWaalsContact O-CD2 3.23Å; A843-Y845 WeakPolarHBondContact O-CD2 3.39Å; A843-Y845 WeakPolarHBondContact O-CE2 3.47Å; Y845-K847 PolarHBondContact O-N 2.95Å; Y845-L848 HydrophobicContact CD1-CD1 4.25Å; Y845-L848 WeakPolarHBondContact O-CB 3.47Å; Y845-L848 PolarHBondContact O-N 2.71Å; Y845-L848 VanDerWaalsContact O-N 3.15Å; Y845-V865 HydrophobicContact CD1-CB 4.22Å; Y845-V865 HydrophobicContact CD1-CG1 4.3Å; Y845-V865 HydrophobicContact CD1-CG2 3.61Å; Y845-V865 HydrophobicContact CD2-CG2 3.94Å; Y845-V865 HydrophobicContact CE1-CB 4.47Å; Y845-V865 HydrophobicContact CE1-CG1 4.32Å; Y845-V865 HydrophobicContact CE1-CG2 3.63Å; Y845-V865 HydrophobicContact CE2-CG2 3.91Å; Y845-V865 HydrophobicContact CG-CG2 3.78Å; Y845-D891 PolarHBondContact OH-OD2 2.7Å; Y845-F895 WeakPolarHBondContact OH-CZ 3.21Å
846D93.9Very high91.9Very high132 Ų13262.5 Ų62.571%0.70633%0.333SS*.THydrogen-bonded Turntrans-66.7-22.9-174.3-60.1-23.5000113.3I844 L848I844-D846 HydrophobicContact CG2-CB 4.08Å; D846-L848 PolarHBondContact O-N 3.42Å
847K95.1Very high92.3Very high64 Ų6462.4 Ų62.428%0.27834%0.344SS..THydrogen-bonded Turntrans-74.9-8.6177.8-62.6-174.8-178.3178.10113.8Y845 I854 V858 R859 D864Y845-K847 PolarHBondContact O-N 2.95Å; K847-I854 HydrophobicContact CB-CD1 4.07Å; K847-V858 HydrophobicContact CD-CG1 4.31Å; K847-R859 PolarHBondContact NZ-O 3.06Å; K847-D864 HydrophobicContact CD-CB 4.35Å; K847-D864 WeakPolarHBondContact CD-OD1 3.08Å; K847-D864 WeakPolarHBondContact CE-OD1 3.09Å; K847-D864 IonicContact NZ-OD1 2.89Å; K847-D864 PolarHBondContact NZ-OD1 2.8Å; K847-D864 IonicContact NZ-OD2 3.08Å; K847-D864 PolarHBondContact NZ-OD2 2.91Å
848L95.8Very high92.8Very high2 Ų264.7 Ų64.71%0.0136%0.357CS..SBendtrans-82139.1174.9-59.6176.5000110K831 Y845 D846 I854 V865K831-L848 WeakPolarHBondContact CE-O 3.33Å; K831-L848 HydrophobicContact CG-CB 4.49Å; K831-L848 PolarHBondContact NZ-O 2.78Å; Y845-L848 HydrophobicContact CD1-CD1 4.25Å; Y845-L848 WeakPolarHBondContact O-CB 3.47Å; Y845-L848 PolarHBondContact O-N 2.71Å; Y845-L848 VanDerWaalsContact O-N 3.15Å; D846-L848 PolarHBondContact O-N 3.42Å; L848-I854 HydrophobicContact CD2-CB 4.47Å; L848-V865 HydrophobicContact CD1-CB 4.18Å; L848-V865 HydrophobicContact CD1-CG1 3.96Å; L848-V865 HydrophobicContact CD2-CB 4.49Å; L848-V865 HydrophobicContact CD2-CG1 4.42Å; L848-V865 HydrophobicContact CG-CB 4.45Å
849D95.3Very high93.2Very high80 Ų8069.3 Ų69.343%0.42837%0.371SS..  trans-73.6174.9166-64.4-30000109.9D851 G852 L853D849-D851 WeakPolarHBondContact CB-OD1 3.4Å; D849-D851 PolarHBondContact O-N 3.23Å; D849-G852 PolarHBondContact O-N 3.13Å; D849-L853 WeakPolarHBondContact CB-O 3.48Å; D849-L853 PolarHBondContact N-O 3.22Å
850D93.4Very high93.6Very high142 Ų14266.8 Ų66.876%0.75934%0.344SS*.THydrogen-bonded Turntrans-66.3-23.9-174.1-63-30.6000113G852D850-G852 PolarHBondContact O-N 3.45Å
851D93Very high93.9Very high82 Ų8267.1 Ų67.144%0.43935%0.351SS..THydrogen-bonded Turntrans-75-2173.172-16.6000113.3F829 D849 L853F829-D851 CarbonylContact C-O 3.58Å; F829-D851 VanDerWaalsContact C-O 3.3Å; D849-D851 WeakPolarHBondContact CB-OD1 3.4Å; D849-D851 PolarHBondContact O-N 3.23Å; D851-L853 VanDerWaalsContact C-N 3.29Å; D851-L853 PolarHBondContact OD1-N 3.2Å
852G93.8Very high94Very high0 Ų060.3 Ų60.30%033%0.329CS..SBendtrans76.711.5-176.900000113.7E830 D849 D850 I867 G868E830-G852 VanDerWaalsContact C-CA 3.41Å; D849-G852 PolarHBondContact O-N 3.13Å; D850-G852 PolarHBondContact O-N 3.45Å; G852-I867 CarbonylContact O-C 3.53Å; G852-G868 WeakPolarHBondContact O-CA 3.36Å; G852-G868 PolarHBondContact O-N 3.42Å
853L96.7Very high93.9Very high6 Ų657.5 Ų57.53%0.03132%0.316CS..BIsolated β-bridgetrans-111.4161.7176.2-55.8178.8000110.3D849 D851 I867 V909 C919 I921D849-L853 WeakPolarHBondContact CB-O 3.48Å; D849-L853 PolarHBondContact N-O 3.22Å; D851-L853 VanDerWaalsContact C-N 3.29Å; D851-L853 PolarHBondContact OD1-N 3.2Å; L853-I867 HydrophobicContact CD2-CB 4.43Å; L853-I867 HydrophobicContact CD2-CG1 4.26Å; L853-I867 HydrophobicContact CD2-CG2 3.91Å; L853-V909 HydrophobicContact CD1-CG2 3.54Å; L853-C919 HydrophobicContact CD1-CB 4.35Å; L853-C919 HydrophobicContact CD2-CB 4.4Å; L853-I921 HydrophobicContact CD2-CD1 4.45Å
854I96.6Very high94.2Very high2 Ų257 Ų571%0.0131%0.311CS..PPolyproline II helixtrans-99.6138176.4-170.4164.1000110.4K847 L848 V858 V860 I866 V904 V907 I921K847-I854 HydrophobicContact CB-CD1 4.07Å; L848-I854 HydrophobicContact CD2-CB 4.47Å; I854-V858 HydrophobicContact CD1-CB 3.92Å; I854-V858 HydrophobicContact CD1-CG1 3.77Å; I854-V858 HydrophobicContact CG1-CB 3.94Å; I854-V858 HydrophobicContact CG1-CG1 4.19Å; I854-V858 HydrophobicContact CG1-CG2 4.23Å; I854-V860 HydrophobicContact CD1-CG1 3.34Å; I854-I866 HydrophobicContact CG2-CB 4.24Å; I854-I866 HydrophobicContact CG2-CG2 4.46Å; I854-I866 WeakPolarHBondContact CG2-O 3.35Å; I854-V904 HydrophobicContact CD1-CG2 4.01Å; I854-V904 HydrophobicContact CG1-CG2 4.18Å; I854-V904 HydrophobicContact CG2-CG1 4.37Å; I854-V904 HydrophobicContact CG2-CG2 3.78Å; I854-V907 WeakPolarHBondContact O-CG2 3.46Å; I854-I921 HydrophobicContact CG2-CD1 3.99Å; I854-I921 HydrophobicContact CG2-CG2 4.27Å
855A96.5Very high94.3Very high34 Ų3453.4 Ų53.428%0.28129%0.293SS..PPolyproline II helixtrans-72.314917600000113.4V858A855-V858 HydrophobicContact CB-CG2 4.39Å; A855-V858 WeakPolarHBondContact O-CG2 3.25Å
856P97.4Very high94.4Very high75 Ų7552.8 Ų52.849%0.48729%0.291SS..THydrogen-bonded Turntrans-57.2144.6169.1-23.734.9000112.8V907P856-V907 HydrophobicContact CG-CB 4.16Å; P856-V907 HydrophobicContact CG-CG2 3.97Å
857G95.7Very high94.5Very high54 Ų5446.5 Ų46.556%0.55726%0.257SS*.THydrogen-bonded Turntrans92.7-14.6-17900000114.9I903 V904G857-I903 WeakPolarHBondContact O-CG2 3.31Å; G857-V904 PolarHBondContact N-O 3.45Å
858V96.9Very high94.6Very high50 Ų5043.5 Ų43.530%0.30324%0.244SC..  trans-74.1138.3177.8-176.10000111K847 I854 A855 I903 V904K847-V858 HydrophobicContact CD-CG1 4.31Å; I854-V858 HydrophobicContact CD1-CB 3.92Å; I854-V858 HydrophobicContact CD1-CG1 3.77Å; I854-V858 HydrophobicContact CG1-CB 3.94Å; I854-V858 HydrophobicContact CG1-CG1 4.19Å; I854-V858 HydrophobicContact CG1-CG2 4.23Å; A855-V858 HydrophobicContact CB-CG2 4.39Å; A855-V858 WeakPolarHBondContact O-CG2 3.25Å; V858-I903 WeakPolarHBondContact O-CA 3.34Å; V858-V904 PolarHBondContact O-N 3.04Å
859R96.8Very high94.5Very high191 Ų19144 Ų4472%0.72125%0.246SC*.EExtended strand (participates in β ladder)trans-82.3127.9176.6-169.8173.9-175.1162.60.3111K847 I903K847-R859 PolarHBondContact NZ-O 3.06Å; R859-I903 HydrophobicContact CB-CG1 4.47Å; R859-I903 HydrophobicContact CG-CG1 4.42Å
860V95.5Very high94.4Very high2 Ų240.2 Ų40.21%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-124.7151.5-177.7-66.60000112.1I854 D864 I866 L896 G902 V904 V923I854-V860 HydrophobicContact CD1-CG1 3.34Å; V860-D864 WeakPolarHBondContact CA-OD2 3.19Å; V860-D864 HydrophobicContact CB-CB 4.4Å; V860-D864 HydrophobicContact CG1-CB 4.48Å; V860-I866 HydrophobicContact CG1-CG2 4.26Å; V860-L896 HydrophobicContact CB-CD2 4.2Å; V860-L896 HydrophobicContact CG2-CD1 4.49Å; V860-L896 HydrophobicContact CG2-CD2 3.93Å; V860-G902 PolarHBondContact N-O 3.15Å; V860-G902 PolarHBondContact O-N 2.92Å; V860-G902 VanDerWaalsContact O-O 3.07Å; V860-V904 HydrophobicContact CG1-CG2 3.98Å; V860-V904 HydrophobicContact CG2-CG2 4.29Å; V860-V923 HydrophobicContact CG2-CG1 3.86Å; V860-V923 HydrophobicContact CG2-CG2 4.38Å
861S93.6Very high94.4Very high47 Ų4733.7 Ų33.733%0.32919%0.191SC..  trans-140173.4-177.9680000110.2E863 D864 L896S861-E863 PolarHBondContact O-N 3.12Å; S861-E863 VanDerWaalsContact O-N 3.08Å; S861-D864 WeakPolarHBondContact CA-OD2 3.35Å; S861-D864 WeakPolarHBondContact CB-OD2 3.46Å; S861-D864 PolarHBondContact N-OD2 3.33Å; S861-D864 WeakPolarHBondContact O-CB 3.37Å; S861-D864 PolarHBondContact O-N 3.15Å; S861-D864 PolarHBondContact OG-OD2 2.99Å; S861-L896 WeakPolarHBondContact O-CB 3.41Å; S861-L896 WeakPolarHBondContact O-CD2 3.49Å
862G86.7Confident94.2Very high12 Ų1231.3 Ų31.312%0.12418%0.18CC..THydrogen-bonded Turntrans-59.4-22.5-170.800000116.4R897 E900G862-R897 WeakPolarHBondContact CA-O 3.27Å; G862-E900 PolarHBondContact N-O 2.94Å
863E85.3Confident93.8Very high134 Ų13434.1 Ų34.163%0.62619%0.194SC*.THydrogen-bonded Turntrans-10011.2179-61.3-172.6166.200113A843 I844 S861A843-E863 VanDerWaalsContact CA-O 3.25Å; A843-E863 WeakPolarHBondContact CA-O 3.35Å; A843-E863 WeakPolarHBondContact CB-O 3.36Å; I844-E863 PolarHBondContact N-O 2.8Å; S861-E863 PolarHBondContact O-N 3.12Å; S861-E863 VanDerWaalsContact O-N 3.08Å
864D94Very high92.8Very high0 Ų036.4 Ų36.40%021%0.209CC..BIsolated β-bridgetrans-96.5140.8177.7-63.7-56000111.8K847 V860 S861 L896K847-D864 HydrophobicContact CD-CB 4.35Å; K847-D864 WeakPolarHBondContact CD-OD1 3.08Å; K847-D864 WeakPolarHBondContact CE-OD1 3.09Å; K847-D864 IonicContact NZ-OD1 2.89Å; K847-D864 PolarHBondContact NZ-OD1 2.8Å; K847-D864 IonicContact NZ-OD2 3.08Å; K847-D864 PolarHBondContact NZ-OD2 2.91Å; V860-D864 WeakPolarHBondContact CA-OD2 3.19Å; V860-D864 HydrophobicContact CB-CB 4.4Å; V860-D864 HydrophobicContact CG1-CB 4.48Å; S861-D864 WeakPolarHBondContact CA-OD2 3.35Å; S861-D864 WeakPolarHBondContact CB-OD2 3.46Å; S861-D864 PolarHBondContact N-OD2 3.33Å; S861-D864 WeakPolarHBondContact O-CB 3.37Å; S861-D864 PolarHBondContact O-N 3.15Å; S861-D864 PolarHBondContact OG-OD2 2.99Å; D864-L896 PolarHBondContact O-N 2.95Å
865V94.8Very high91.4Very high0 Ų044.3 Ų44.30%025%0.246CC..EExtended strand (participates in β ladder)trans-82.5133.4169.9-166.40000109A843 I844 Y845 L848 F895A843-V865 HydrophobicContact CB-CG2 3.9Å; I844-V865 PolarHBondContact O-N 3.23Å; Y845-V865 HydrophobicContact CD1-CB 4.22Å; Y845-V865 HydrophobicContact CD1-CG1 4.3Å; Y845-V865 HydrophobicContact CD1-CG2 3.61Å; Y845-V865 HydrophobicContact CD2-CG2 3.94Å; Y845-V865 HydrophobicContact CE1-CB 4.47Å; Y845-V865 HydrophobicContact CE1-CG1 4.32Å; Y845-V865 HydrophobicContact CE1-CG2 3.63Å; Y845-V865 HydrophobicContact CE2-CG2 3.91Å; Y845-V865 HydrophobicContact CG-CG2 3.78Å; L848-V865 HydrophobicContact CD1-CB 4.18Å; L848-V865 HydrophobicContact CD1-CG1 3.96Å; L848-V865 HydrophobicContact CD2-CB 4.49Å; L848-V865 HydrophobicContact CD2-CG1 4.42Å; L848-V865 HydrophobicContact CG-CB 4.45Å; V865-F895 HydrophobicContact CB-CD1 4.37Å; V865-F895 HydrophobicContact CB-CE1 4.43Å; V865-F895 HydrophobicContact CG1-CE1 4.46Å; V865-F895 HydrophobicContact CG2-CD1 3.62Å; V865-F895 HydrophobicContact CG2-CE1 3.4Å; V865-F895 VanDerWaalsContact CG2-CE1 3.4Å; V865-F895 HydrophobicContact CG2-CZ 4.43Å
866I95.6Very high89.7Confident0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-106.3-26.8176.554.2169.3000112.4Y814 I854 V860 T894 L896 I921Y814-I866 HydrophobicContact CD1-CD1 3.82Å; Y814-I866 HydrophobicContact CD2-CD1 3.49Å; Y814-I866 VanDerWaalsContact CD2-CD1 3.49Å; Y814-I866 HydrophobicContact CE1-CD1 4.33Å; Y814-I866 HydrophobicContact CE2-CD1 4.06Å; Y814-I866 HydrophobicContact CG-CD1 3.36Å; I854-I866 HydrophobicContact CG2-CB 4.24Å; I854-I866 HydrophobicContact CG2-CG2 4.46Å; I854-I866 WeakPolarHBondContact CG2-O 3.35Å; V860-I866 HydrophobicContact CG1-CG2 4.26Å; I866-T894 HydrophobicContact CD1-CG2 4.42Å; I866-T894 HydrophobicContact CG1-CG2 4.48Å; I866-T894 VanDerWaalsContact CG1-O 3.27Å; I866-T894 WeakPolarHBondContact CG1-O 3.45Å; I866-T894 PolarHBondContact N-O 3.26Å; I866-L896 HydrophobicContact CG2-CD1 4.49Å; I866-I921 WeakPolarHBondContact O-CD1 3.4Å
867I96.6Very high87.7Confident0 Ų053.4 Ų53.40%028%0.28CS..EExtended strand (participates in β ladder)trans-138105.9178.9-58.2167.7000107.6E816 F829 G852 L853 K869 S893 T894 I921E816-I867 HydrophobicContact CB-CD1 3.66Å; E816-I867 HydrophobicContact CB-CG2 4.07Å; E816-I867 HydrophobicContact CG-CG2 4.11Å; F829-I867 HydrophobicContact CD1-CG2 3.97Å; F829-I867 HydrophobicContact CE1-CG2 3.78Å; G852-I867 CarbonylContact O-C 3.53Å; L853-I867 HydrophobicContact CD2-CB 4.43Å; L853-I867 HydrophobicContact CD2-CG1 4.26Å; L853-I867 HydrophobicContact CD2-CG2 3.91Å; I867-K869 PolarHBondContact O-N 2.81Å; I867-S893 CarbonylContact O-C 3.6Å; I867-S893 VanDerWaalsContact O-CA 3.27Å; I867-S893 WeakPolarHBondContact O-CA 3.44Å; I867-S893 WeakPolarHBondContact O-CB 3.5Å; I867-T894 PolarHBondContact N-O 3.04Å; I867-T894 PolarHBondContact O-N 3.19Å; I867-I921 HydrophobicContact CD1-CD1 4.07Å; I867-I921 HydrophobicContact CD1-CG1 4.3Å; I867-I921 HydrophobicContact CG1-CD1 3.5Å; I867-I921 VanDerWaalsContact CG1-CD1 3.5Å; I867-I921 HydrophobicContact CG1-CG1 4.26Å
868G96.1Very high85.6Confident0 Ų058.1 Ų58.10%029%0.292CS..  trans-68.1112.316600000110.3E830 G852 S893E830-G868 PolarHBondContact N-O 3.22Å; E830-G868 CarbonylContact O-C 3.52Å; G852-G868 WeakPolarHBondContact O-CA 3.36Å; G852-G868 PolarHBondContact O-N 3.42Å; G868-S893 WeakPolarHBondContact CA-OG 3.48Å
869K94.9Very high83.4Confident13 Ų1361.8 Ų61.86%0.05731%0.306CS..EExtended strand (participates in β ladder)trans-132.8127.6176.4-167.617565.5165.30109.6E816 E827 I828 F829 I867 C892 S893E816-K869 HydrophobicContact CG-CD 3.89Å; E816-K869 IonicContact OE1-NZ 3.09Å; E816-K869 PolarHBondContact OE1-NZ 3.49Å; E827-K869 HydrophobicContact CB-CD 4.24Å; E827-K869 HydrophobicContact CB-CG 4.4Å; E827-K869 IonicContact OE2-NZ 2.79Å; E827-K869 PolarHBondContact OE2-NZ 3.02Å; I828-K869 WeakPolarHBondContact O-CA 3.4Å; F829-K869 HydrophobicContact CD1-CB 4.19Å; F829-K869 HydrophobicContact CD1-CD 4.32Å; F829-K869 HydrophobicContact CD1-CG 4.06Å; F829-K869 HydrophobicContact CE1-CB 4.36Å; F829-K869 HydrophobicContact CE1-CD 3.86Å; F829-K869 HydrophobicContact CE1-CG 4.11Å; I867-K869 PolarHBondContact O-N 2.81Å; K869-C892 WeakPolarHBondContact CE-O 3.39Å; K869-C892 VanDerWaalsContact CE-SG 3.56Å; K869-C892 CarbonylContact O-C 3.58Å; K869-C892 PolarHBondContact O-N 3.07Å; K869-C892 PolarHBondContact O-SG 3.32Å; K869-S893 PolarHBondContact N-OG 2.96Å; K869-S893 PolarHBondContact O-N 3.12Å; K869-S893 VanDerWaalsContact O-N 3.12Å; K869-S893 PolarHBondContact O-OG 3.23Å
870T93.4Very high81.4Confident0 Ų061.7 Ų61.70%032%0.319CS..EExtended strand (participates in β ladder)trans-115.8153.1176.666.20000109.3E827 I828 E830 P832 C837 R890E827-T870 CarbonylContact C-O 3.51Å; E827-T870 WeakPolarHBondContact CA-O 3.12Å; I828-T870 PolarHBondContact N-O 3.11Å; I828-T870 PolarHBondContact O-N 2.67Å; E830-T870 HydrophobicContact CG-CG2 3.87Å; E830-T870 WeakPolarHBondContact OE1-CB 3.31Å; E830-T870 WeakPolarHBondContact OE1-CG2 3.2Å; E830-T870 PolarHBondContact OE1-OG1 2.93Å; P832-T870 HydrophobicContact CB-CG2 4.04Å; P832-T870 HydrophobicContact CG-CG2 4.02Å; C837-T870 VanDerWaalsContact SG-CG2 3.6Å; T870-R890 CarbonylContact C-O 3.51Å; T870-R890 WeakPolarHBondContact CA-O 3.39Å
871V92.5Very high79.4Confident6 Ų668.5 Ų68.54%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-120.3131170.861.70000109Q825 E826 E827 K889 R890Q825-V871 HydrophobicContact CB-CG2 4.28Å; E826-V871 WeakPolarHBondContact O-CA 3.48Å; E827-V871 HydrophobicContact CG-CB 4.19Å; E827-V871 HydrophobicContact CG-CG2 4.14Å; V871-K889 CarbonylContact O-C 3.56Å; V871-K889 WeakPolarHBondContact O-CA 3.21Å; V871-R890 HydrophobicContact CG1-CB 3.79Å; V871-R890 PolarHBondContact N-O 2.86Å; V871-R890 PolarHBondContact O-N 2.95Å
872T89.8Confident77.4Confident32 Ų3269.9 Ų69.920%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-65.1135.2175.455.30000110.3D824 Q825 E826 K889D824-T872 PolarHBondContact O-OG1 3.42Å; Q825-T872 WeakPolarHBondContact CA-OG1 3.27Å; E826-T872 PolarHBondContact N-OG1 3.04Å; E826-T872 PolarHBondContact O-N 3.01Å; E826-T872 PolarHBondContact O-OG1 2.71Å; T872-K889 HydrophobicContact CG2-CG 4.46Å
873L83.5Confident75.8Confident58 Ų5875.9 Ų75.930%0.30440%0.399SS..PPolyproline II helixtrans-81.8140.4172.7-71.4167.7000108.8T888 R890L873-T888 PolarHBondContact N-O 3.06Å; L873-T888 VanDerWaalsContact N-O 3.15Å; L873-R890 HydrophobicContact CD2-CB 4.17Å; L873-R890 HydrophobicContact CG-CB 4.35Å
874P77.3Confident74.2Confident54 Ų5476.9 Ų76.935%0.35141%0.409SS..PPolyproline II helixtrans-64.1144.2179.127.5-33.1000110.3N876P874-N876 PolarHBondContact O-N 3.06Å
875E67.3Low72.5Confident168 Ų16881.8 Ų81.879%0.78543%0.427SS*.  trans-73.5107.6170.2-67.6-166.2162.200109.2E877E875-E877 PolarHBondContact O-N 3.06Å
876N59.9Low71.3Confident101 Ų10190.6 Ų90.654%0.5446%0.46SS..  trans-66.3124168-101.36.9000109P874 D878 R885P874-N876 PolarHBondContact O-N 3.06Å; N876-D878 PolarHBondContact O-N 3.12Å; N876-R885 PolarHBondContact O-NH2 2.85Å; N876-R885 VanDerWaalsContact O-NH2 3.1Å
877E56Low70.5Confident200 Ų20093.9 Ų93.994%0.93547%0.473SS*.SBendtrans-73.5-7.1174-71.4-169152.300113.6E875E875-E877 PolarHBondContact O-N 3.06Å
878D51.7Low69.9Low153 Ų15397.8 Ų97.882%0.81850%0.498SS*.  trans-106.820-159.5-126.12.4000116.3N876N876-D878 PolarHBondContact O-N 3.12Å
879E49.2Very low69.6Low127 Ų12799.8 Ų99.859%0.59351%0.506SS*.  trans-134.2112.6176.7-68.9-179.1175.900112.3D881E879-D881 PolarHBondContact O-N 3.08Å
880L55.8Low69.4Low188 Ų188105 Ų10598%0.98453%0.526SS*.THydrogen-bonded Turntrans-62.95.4177.8-96.1129.3000115.4
881D52.6Low69.3Low145 Ų145105.9 Ų105.978%0.77553%0.53SS*.THydrogen-bonded Turntrans-130.144.7-176.5-96.1-23.7000112.3E879 T883E879-D881 PolarHBondContact O-N 3.08Å; D881-T883 VanDerWaalsContact C-N 3.31Å; D881-T883 PolarHBondContact O-N 3.06Å
882S52.4Low69.3Low77 Ų77107.3 Ų107.354%0.53854%0.54SS..G310 helixtrans-82.215.3-171.959.20000116.3
883T53.3Low69.5Low138 Ų138106.1 Ų106.185%0.84753%0.533SS*.G310 helixtrans-83.2-7.6176.449.40000114.5D881D881-T883 VanDerWaalsContact C-N 3.31Å; D881-T883 PolarHBondContact O-N 3.06Å
884N50.8Low70Confident154 Ų154105 Ų10582%0.82453%0.528SS*.G310 helixtrans-121.540-174-129.8-9000113.7R886N884-R886 PolarHBondContact O-N 3.36Å
885R59.3Low70.7Confident104 Ų104103.9 Ų103.939%0.39252%0.518SS..  trans-76101.9168.3-74.4-170.5-179.1155.99109.6N876 Y887N876-R885 PolarHBondContact O-NH2 2.85Å; N876-R885 VanDerWaalsContact O-NH2 3.1Å; R885-Y887 PolarHBondContact O-N 2.88Å
886R68.2Low71.8Confident184 Ų18496.3 Ų96.369%0.69448%0.483SS*.SBendtrans-58.1-29.3175.7-176175.8174.2179.4-1.1113.1N884N884-R886 PolarHBondContact O-N 3.36Å
887Y79.1Confident73Confident69 Ų6996.8 Ų96.827%0.27148%0.477SS..  trans-131.9134.2-177.2-54.1-67.3000111.1R834 T836 Q838 R885R834-Y887 WeakPolarHBondContact O-CE1 3.48Å; T836-Y887 WeakPolarHBondContact O-CA 3.42Å; Q838-Y887 HydrophobicContact CB-CD2 4.1Å; Q838-Y887 HydrophobicContact CB-CG 3.99Å; Q838-Y887 HydrophobicContact CG-CD2 4.27Å; R885-Y887 PolarHBondContact O-N 2.88Å
888T84.6Confident74.2Confident83 Ų8391.5 Ų91.551%0.50946%0.459SS..SBendtrans-103.3-22.6178.8520000112.3T836 L873T836-T888 PolarHBondContact O-N 3.33Å; L873-T888 PolarHBondContact N-O 3.06Å; L873-T888 VanDerWaalsContact N-O 3.15Å
889K89.3Confident75.6Confident42 Ų4287.7 Ų87.718%0.18344%0.444CS..EExtended strand (participates in β ladder)trans-130.3162.8-176.5-55.3-175.5-172.2-173.90110.7E830 T836 C837 Q838 V871 T872E830-K889 WeakPolarHBondContact OE1-CD 3.44Å; E830-K889 WeakPolarHBondContact OE1-CE 3.38Å; E830-K889 IonicContact OE1-NZ 3.87Å; E830-K889 PolarHBondContact OE1-NZ 3.24Å; E830-K889 IonicContact OE2-NZ 2.72Å; E830-K889 PolarHBondContact OE2-NZ 3.03Å; T836-K889 PolarHBondContact O-N 3.41Å; C837-K889 CarbonylContact C-O 3.59Å; C837-K889 WeakPolarHBondContact CA-O 3.46Å; Q838-K889 PolarHBondContact N-O 3.34Å; V871-K889 CarbonylContact O-C 3.56Å; V871-K889 WeakPolarHBondContact O-CA 3.21Å; T872-K889 HydrophobicContact CG2-CG 4.46Å
890R91.2Very high77.3Confident122 Ų12282.6 Ų82.646%0.4642%0.42SS..EExtended strand (participates in β ladder)trans-117.8139.3171.9-175.9-174.472.9-169.8-1.4109.9Q838 T870 V871 L873Q838-R890 CarbonylContact O-C 3.59Å; Q838-R890 WeakPolarHBondContact O-CA 3.33Å; T870-R890 CarbonylContact C-O 3.51Å; T870-R890 WeakPolarHBondContact CA-O 3.39Å; V871-R890 HydrophobicContact CG1-CB 3.79Å; V871-R890 PolarHBondContact N-O 2.86Å; V871-R890 PolarHBondContact O-N 2.95Å; L873-R890 HydrophobicContact CD2-CB 4.17Å; L873-R890 HydrophobicContact CG-CB 4.35Å
891D92.5Very high79Confident18 Ų1877.5 Ų77.510%0.09640%0.397CS..EExtended strand (participates in β ladder)trans-73.3128.4175.9-17720.2000111.5Q838 M840 Y845 S893Q838-D891 PolarHBondContact O-N 3.48Å; M840-D891 HydrophobicContact CG-CB 4.26Å; Y845-D891 PolarHBondContact OH-OD2 2.7Å; D891-S893 WeakPolarHBondContact OD1-CB 3.26Å; D891-S893 PolarHBondContact OD1-N 3.42Å; D891-S893 PolarHBondContact OD1-OG 2.85Å
892C92.2Very high81Confident36 Ų3671 Ų7124%0.24337%0.365CS..  trans-134.129.7170.858.10000111.7K869K869-C892 WeakPolarHBondContact CE-O 3.39Å; K869-C892 VanDerWaalsContact CE-SG 3.56Å; K869-C892 CarbonylContact O-C 3.58Å; K869-C892 PolarHBondContact O-N 3.07Å; K869-C892 PolarHBondContact O-SG 3.32Å
893S94.1Very high83.2Confident8 Ų869.6 Ų69.66%0.05635%0.351CS..  trans-58.8154.3179.4-61.30000113.2I867 G868 K869 D891 F895I867-S893 CarbonylContact O-C 3.6Å; I867-S893 VanDerWaalsContact O-CA 3.27Å; I867-S893 WeakPolarHBondContact O-CA 3.44Å; I867-S893 WeakPolarHBondContact O-CB 3.5Å; G868-S893 WeakPolarHBondContact CA-OG 3.48Å; K869-S893 PolarHBondContact N-OG 2.96Å; K869-S893 PolarHBondContact O-N 3.12Å; K869-S893 VanDerWaalsContact O-N 3.12Å; K869-S893 PolarHBondContact O-OG 3.23Å; D891-S893 WeakPolarHBondContact OD1-CB 3.26Å; D891-S893 PolarHBondContact OD1-N 3.42Å; D891-S893 PolarHBondContact OD1-OG 2.85Å; S893-F895 WeakPolarHBondContact O-CD2 3.34Å; S893-F895 WeakPolarHBondContact O-CE2 3.3Å
894T93.3Very high85.3Confident33 Ų3363.1 Ų63.120%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-103.8127.9177.4-72.50000110.4Y814 E816 I866 I867Y814-T894 HydrophobicContact CD1-CG2 4.35Å; E816-T894 PolarHBondContact OE2-OG1 2.57Å; I866-T894 HydrophobicContact CD1-CG2 4.42Å; I866-T894 HydrophobicContact CG1-CG2 4.48Å; I866-T894 VanDerWaalsContact CG1-O 3.27Å; I866-T894 WeakPolarHBondContact CG1-O 3.45Å; I866-T894 PolarHBondContact N-O 3.26Å; I867-T894 PolarHBondContact N-O 3.04Å; I867-T894 PolarHBondContact O-N 3.19Å
895F92Very high87.5Confident32 Ų3257.6 Ų57.614%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-104.1157-175.9-52.8-93.7000110.4R841 A843 Y845 V865 S893R841-F895 HydrophobicContact CB-CE1 4.2Å; R841-F895 HydrophobicContact CB-CZ 4.12Å; R841-F895 VanDerWaalsContact CD-CZ 3.48Å; R841-F895 HydrophobicContact CG-CE1 4.4Å; R841-F895 HydrophobicContact CG-CE2 4.39Å; R841-F895 HydrophobicContact CG-CZ 3.85Å; R841-F895 VanDerWaalsContact CZ-CE2 3.45Å; R841-F895 VanDerWaalsContact NH1-CD2 3.32Å; A843-F895 HydrophobicContact CB-CD1 3.79Å; A843-F895 HydrophobicContact CB-CE1 3.6Å; Y845-F895 WeakPolarHBondContact OH-CZ 3.21Å; V865-F895 HydrophobicContact CB-CD1 4.37Å; V865-F895 HydrophobicContact CB-CE1 4.43Å; V865-F895 HydrophobicContact CG1-CE1 4.46Å; V865-F895 HydrophobicContact CG2-CD1 3.62Å; V865-F895 HydrophobicContact CG2-CE1 3.4Å; V865-F895 VanDerWaalsContact CG2-CE1 3.4Å; V865-F895 HydrophobicContact CG2-CZ 4.43Å; S893-F895 WeakPolarHBondContact O-CD2 3.34Å; S893-F895 WeakPolarHBondContact O-CE2 3.3Å
896L90.4Very high89.2Confident8 Ų856 Ų564%0.04228%0.278CS..  trans-64.2157.6164.8-156.471.6000109.8Y814 V860 S861 D864 I866 E900 V923Y814-L896 HydrophobicContact CE2-CD1 3.55Å; Y814-L896 WeakPolarHBondContact OH-CD1 3.49Å; V860-L896 HydrophobicContact CB-CD2 4.2Å; V860-L896 HydrophobicContact CG2-CD1 4.49Å; V860-L896 HydrophobicContact CG2-CD2 3.93Å; S861-L896 WeakPolarHBondContact O-CB 3.41Å; S861-L896 WeakPolarHBondContact O-CD2 3.49Å; D864-L896 PolarHBondContact O-N 2.95Å; I866-L896 HydrophobicContact CG2-CD1 4.49Å; L896-E900 HydrophobicContact CD2-CB 4.26Å; L896-E900 VanDerWaalsContact CD2-O 3.27Å; L896-E900 WeakPolarHBondContact CD2-O 3.35Å; L896-E900 HydrophobicContact CG-CB 4.25Å; L896-V923 HydrophobicContact CD1-CG1 4.49Å; L896-V923 HydrophobicContact CD1-CG2 4.14Å
897R85.8Confident90.6Very high112 Ų11249.1 Ų49.142%0.42326%0.257SS..  trans-73142.4173.2-65.4-167.6-173.2170.42.5109.3R812 G862 S899 E900R812-R897 VanDerWaalsContact NH1-NE 3.11Å; G862-R897 WeakPolarHBondContact CA-O 3.27Å; R897-S899 PolarHBondContact O-N 2.73Å; R897-S899 VanDerWaalsContact O-N 3.09Å; R897-E900 HydrophobicContact CB-CB 4.35Å; R897-E900 HydrophobicContact CB-CG 4.32Å; R897-E900 PolarHBondContact O-N 2.72Å
898T79.4Confident91.4Very high89 Ų8947.5 Ų47.555%0.54625%0.252SS..THydrogen-bonded Turntrans-53.1-37.7-173.7-35.80000114.1E900T898-E900 VanDerWaalsContact C-N 3.34Å
899S81.3Confident92Very high73 Ų7347.2 Ų47.251%0.5125%0.25SC..THydrogen-bonded Turntrans-87.10.3-178.544.20000114.4R897R897-S899 PolarHBondContact O-N 2.73Å; R897-S899 VanDerWaalsContact O-N 3.09Å
900E85.3Confident92.3Very high19 Ų1946.7 Ų46.79%0.08925%0.25CS..  trans-103.5139-176.3-76.3165.4-159.300110.8R812 Y814 G862 L896 R897 T898R812-E900 WeakPolarHBondContact CD-OE2 3.49Å; R812-E900 IonicContact CZ-OE1 2.89Å; R812-E900 IonicContact CZ-OE2 3.35Å; R812-E900 IonicContact NE-OE1 2.86Å; R812-E900 IonicContact NE-OE2 3.79Å; R812-E900 IonicContact NH1-OE1 3.41Å; R812-E900 PolarHBondContact NH1-OE1 3.01Å; R812-E900 IonicContact NH1-OE2 3.9Å; R812-E900 PolarHBondContact NH1-OE2 3.09Å; R812-E900 IonicContact NH2-OE1 2.65Å; R812-E900 PolarHBondContact NH2-OE1 3.08Å; Y814-E900 PolarHBondContact OH-OE2 3.4Å; G862-E900 PolarHBondContact N-O 2.94Å; L896-E900 HydrophobicContact CD2-CB 4.26Å; L896-E900 VanDerWaalsContact CD2-O 3.27Å; L896-E900 WeakPolarHBondContact CD2-O 3.35Å; L896-E900 HydrophobicContact CG-CB 4.25Å; R897-E900 HydrophobicContact CB-CB 4.35Å; R897-E900 HydrophobicContact CB-CG 4.32Å; R897-E900 PolarHBondContact O-N 2.72Å; T898-E900 VanDerWaalsContact C-N 3.34Å
901T92.8Very high92.3Very high82 Ų8244.9 Ų44.950%0.50325%0.249SC..  trans-138.614717368.50000108.3S925T901-S925 VanDerWaalsContact O-CB 3.27Å; T901-S925 WeakPolarHBondContact O-CB 3.2Å; T901-S925 PolarHBondContact O-OG 3.18Å
902G94.6Very high92Very high9 Ų944.4 Ų44.49%0.09325%0.247CC..EExtended strand (participates in β ladder)trans178.8-168.4-17600000113.2V860 R924V860-G902 PolarHBondContact N-O 3.15Å; V860-G902 PolarHBondContact O-N 2.92Å; V860-G902 VanDerWaalsContact O-O 3.07Å; G902-R924 CarbonylContact C-O 3.59Å; G902-R924 WeakPolarHBondContact CA-O 3.47Å
903I97.6Very high91.7Very high47 Ų4746.8 Ų46.824%0.24125%0.254CS..EExtended strand (participates in β ladder)trans-121.4139.5176-63.6171.8000107.1G857 V858 R859 D905 V923 R924G857-I903 WeakPolarHBondContact O-CG2 3.31Å; V858-I903 WeakPolarHBondContact O-CA 3.34Å; R859-I903 HydrophobicContact CB-CG1 4.47Å; R859-I903 HydrophobicContact CG-CG1 4.42Å; I903-D905 PolarHBondContact O-N 3.36Å; I903-V923 WeakPolarHBondContact O-CA 3.33Å; I903-R924 HydrophobicContact CB-CG 4.32Å; I903-R924 PolarHBondContact N-O 3.05Å; I903-R924 WeakPolarHBondContact O-CG 3.48Å; I903-R924 PolarHBondContact O-N 3.42Å
904V97.5Very high91.2Very high1 Ų150.6 Ų50.61%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-64.9122.5172.7-176.30000108.3I854 G857 V858 V860 V907 I921I854-V904 HydrophobicContact CD1-CG2 4.01Å; I854-V904 HydrophobicContact CG1-CG2 4.18Å; I854-V904 HydrophobicContact CG2-CG1 4.37Å; I854-V904 HydrophobicContact CG2-CG2 3.78Å; G857-V904 PolarHBondContact N-O 3.45Å; V858-V904 PolarHBondContact O-N 3.04Å; V860-V904 HydrophobicContact CG1-CG2 3.98Å; V860-V904 HydrophobicContact CG2-CG2 4.29Å; V904-V907 HydrophobicContact CG1-CG2 3.67Å; V904-I921 HydrophobicContact CG1-CG2 3.78Å
905D97.2Very high90.9Very high38 Ų3849.8 Ų49.820%0.20327%0.27CS..EExtended strand (participates in β ladder)trans-90.4-52.5-176-175.859.3000111.1Y811 I903 R922 R924Y811-D905 HydrophobicContact CE1-CB 4.49Å; I903-D905 PolarHBondContact O-N 3.36Å; D905-R922 HydrophobicContact CB-CB 4.48Å; D905-R922 HydrophobicContact CB-CG 4.48Å; D905-R922 WeakPolarHBondContact CB-O 3.43Å; D905-R922 PolarHBondContact N-O 3.41Å; D905-R922 IonicContact OD2-CZ 2.91Å; D905-R922 IonicContact OD2-NE 2.85Å; D905-R922 PolarHBondContact OD2-NE 3.37Å; D905-R922 IonicContact OD2-NH2 3.85Å; D905-R922 PolarHBondContact OD2-NH2 3.44Å; D905-R924 HydrophobicContact CB-CB 4.04Å; D905-R924 HydrophobicContact CB-CG 3.94Å; D905-R924 WeakPolarHBondContact OD1-CD 3.39Å; D905-R924 IonicContact OD1-NE 3.8Å
906Q96Very high90.9Very high70 Ų7052 Ų5233%0.32728%0.278SS..EExtended strand (participates in β ladder)trans-150.2146.2-178.6-68.4-178-8.200110.4H741 M744 R922H741-Q906 PolarHBondContact O-NE2 3.08Å; H741-Q906 PolarHBondContact O-OE1 2.93Å; M744-Q906 HydrophobicContact CE-CB 3.54Å; Q906-R922 PolarHBondContact N-O 3.35Å; Q906-R922 PolarHBondContact O-N 3.24Å; Q906-R922 VanDerWaalsContact OE1-NH2 3.13Å
907V97.1Very high91Very high41 Ų4155.8 Ų55.825%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-127.2125.3177174.40000107I854 P856 V904 I921I854-V907 WeakPolarHBondContact O-CG2 3.46Å; P856-V907 HydrophobicContact CG-CB 4.16Å; P856-V907 HydrophobicContact CG-CG2 3.97Å; V904-V907 HydrophobicContact CG1-CG2 3.67Å; V907-I921 HydrophobicContact CG1-CD1 4.46Å; V907-I921 HydrophobicContact CG1-CG1 4.16Å; V907-I921 HydrophobicContact CG2-CB 4.49Å; V907-I921 HydrophobicContact CG2-CD1 4.38Å; V907-I921 HydrophobicContact CG2-CG1 4.15Å; V907-I921 HydrophobicContact CG2-CG2 3.95Å
908M96.1Very high91.4Very high34 Ų3450.6 Ų50.617%0.16727%0.274CS..EExtended strand (participates in β ladder)trans-121.9124180-177.8-154.779.300108.5L115 M744 T910 F918 C919 K920L115-M908 HydrophobicContact CB-SD 3.83Å; L115-M908 HydrophobicContact CD1-SD 4.43Å; L115-M908 HydrophobicContact CD2-SD 4.01Å; L115-M908 HydrophobicContact CG-SD 4.3Å; M744-M908 HydrophobicContact CE-CB 4.05Å; M908-T910 HydrophobicContact CE-CG2 3.52Å; M908-F918 HydrophobicContact CE-CD1 4.46Å; M908-F918 HydrophobicContact CE-CE1 4.39Å; M908-C919 CarbonylContact O-C 3.53Å; M908-C919 VanDerWaalsContact O-CA 3.23Å; M908-C919 WeakPolarHBondContact O-CA 3.43Å; M908-K920 HydrophobicContact CE-CB 4.04Å; M908-K920 HydrophobicContact CE-CD 3.91Å; M908-K920 HydrophobicContact CE-CG 4.02Å; M908-K920 PolarHBondContact N-O 3.39Å; M908-K920 PolarHBondContact O-N 3.38Å
909V96.1Very high92.2Very high77 Ų7746.4 Ų46.447%0.46725%0.248SC..EExtended strand (participates in β ladder)trans-111.4131.6172-173.90000108.2L853 K917 C919L853-V909 HydrophobicContact CD1-CG2 3.54Å; V909-K917 HydrophobicContact CG1-CD 4.31Å; V909-K917 HydrophobicContact CG1-CG 3.95Å; V909-C919 HydrophobicContact CG2-CB 4.41Å
910T95.1Very high92.9Very high31 Ų3143.5 Ų43.519%0.1923%0.226CC..EExtended strand (participates in β ladder)trans-151179.1-178.7-171.30000110.2R116 M908 F918R116-T910 HydrophobicContact CG-CG2 4.14Å; R116-T910 WeakPolarHBondContact CG-OG1 3.37Å; M908-T910 HydrophobicContact CE-CG2 3.52Å; T910-F918 HydrophobicContact CG2-CB 4.26Å; T910-F918 HydrophobicContact CG2-CD1 3.66Å; T910-F918 HydrophobicContact CG2-CG 4.45Å; T910-F918 PolarHBondContact N-O 2.93Å; T910-F918 PolarHBondContact O-N 3.48Å
911L91.3Very high93.4Very high85 Ų8542.6 Ų42.645%0.44522%0.222SC..EExtended strand (participates in β ladder)trans-99.8141.6165.9-58173.4000110.4R116 Y916R116-L911 PolarHBondContact NE-O 3.02Å; L911-Y916 WeakPolarHBondContact CA-O 3.48Å
912N87.4Confident93.7Very high8 Ų839 Ų394%0.04320%0.199CC..  trans-86.2-177.2172.772.76.5000111.7E914 G915 Y916 F918N912-E914 PolarHBondContact ND2-OE2 3.29Å; N912-E914 PolarHBondContact O-N 3.33Å; N912-E914 WeakPolarHBondContact OD1-CA 3.45Å; N912-E914 PolarHBondContact OD1-N 2.91Å; N912-E914 PolarHBondContact OD1-OE2 3.45Å; N912-G915 PolarHBondContact O-N 3.17Å; N912-G915 PolarHBondContact OD1-N 2.74Å; N912-Y916 PolarHBondContact N-O 3.06Å; N912-Y916 PolarHBondContact OD1-N 3.32Å; N912-Y916 PolarHBondContact OD1-O 3.28Å; N912-F918 HydrophobicContact CB-CB 4.06Å; N912-F918 HydrophobicContact CB-CG 4.39Å
913Q85.4Confident93.8Very high86 Ų8639 Ų3940%0.40220%0.197SC..THydrogen-bonded Turntrans-62.2-24.817974.4-169.5-20.400113.9L118 G915L118-Q913 HydrophobicContact CD2-CB 3.7Å; Q913-G915 VanDerWaalsContact C-N 3.29Å
914E84.6Confident93.7Very high88 Ų8840.8 Ų40.841%0.41120%0.201SC..THydrogen-bonded Turntrans-84.5-6.8177.2-61.591.6-163.700112.4R101 N912 Y916R101-E914 PolarHBondContact NH2-O 3.18Å; N912-E914 PolarHBondContact ND2-OE2 3.29Å; N912-E914 PolarHBondContact O-N 3.33Å; N912-E914 WeakPolarHBondContact OD1-CA 3.45Å; N912-E914 PolarHBondContact OD1-N 2.91Å; N912-E914 PolarHBondContact OD1-OE2 3.45Å; E914-Y916 VanDerWaalsContact C-N 3.32Å; E914-Y916 HydrophobicContact CB-CD2 3.61Å; E914-Y916 HydrophobicContact CB-CE2 3.79Å; E914-Y916 HydrophobicContact CB-CG 4.38Å; E914-Y916 HydrophobicContact CG-CD2 4.42Å; E914-Y916 HydrophobicContact CG-CE2 4.4Å
915G86.1Confident93.6Very high16 Ų1641.7 Ų41.717%0.16521%0.207CC..SBendtrans77.616.9-174.400000113.6N912 Q913N912-G915 PolarHBondContact O-N 3.17Å; N912-G915 PolarHBondContact OD1-N 2.74Å; Q913-G915 VanDerWaalsContact C-N 3.29Å
916Y91.1Very high93.6Very high78 Ų7842.8 Ų42.831%0.30622%0.215SC..  trans-83.1148.7171.2-65.3-47.2000111.1E818 K820 L911 N912 E914 F918E818-Y916 WeakPolarHBondContact O-CB 3.22Å; E818-Y916 WeakPolarHBondContact O-CD1 3.2Å; K820-Y916 HydrophobicContact CB-CE1 4.04Å; L911-Y916 WeakPolarHBondContact CA-O 3.48Å; N912-Y916 PolarHBondContact N-O 3.06Å; N912-Y916 PolarHBondContact OD1-N 3.32Å; N912-Y916 PolarHBondContact OD1-O 3.28Å; E914-Y916 VanDerWaalsContact C-N 3.32Å; E914-Y916 HydrophobicContact CB-CD2 3.61Å; E914-Y916 HydrophobicContact CB-CE2 3.79Å; E914-Y916 HydrophobicContact CB-CG 4.38Å; E914-Y916 HydrophobicContact CG-CD2 4.42Å; E914-Y916 HydrophobicContact CG-CE2 4.4Å; Y916-F918 PolarHBondContact O-N 3.31Å
917K93.1Very high93.5Very high87 Ų8740.3 Ų40.338%0.37820%0.203SC..EExtended strand (participates in β ladder)trans-63.3131.9171.4-162.6-177.2-72.3163.10109.3E818 F829 V909E818-K917 HydrophobicContact CB-CB 3.98Å; E818-K917 WeakPolarHBondContact CB-O 3.44Å; E818-K917 PolarHBondContact N-O 2.96Å; E818-K917 WeakPolarHBondContact OE2-CB 3.44Å; E818-K917 IonicContact OE2-NZ 3.52Å; F829-K917 HydrophobicContact CD2-CD 3.79Å; F829-K917 HydrophobicContact CD2-CG 4.18Å; F829-K917 HydrophobicContact CE2-CB 4.45Å; F829-K917 HydrophobicContact CE2-CD 4.37Å; F829-K917 HydrophobicContact CE2-CG 4.26Å; V909-K917 HydrophobicContact CG1-CD 4.31Å; V909-K917 HydrophobicContact CG1-CG 3.95Å
918F94.8Very high93.6Very high4 Ų441.6 Ų41.62%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-137.2129.5-173.1177.1-108.4000108.9N117 K815 E816 Q817 M908 T910 N912 Y916 K920N117-F918 WeakPolarHBondContact ND2-CZ 3.27Å; K815-F918 HydrophobicContact CB-CE2 3.96Å; K815-F918 HydrophobicContact CB-CZ 3.76Å; K815-F918 HydrophobicContact CD-CE2 4.43Å; K815-F918 HydrophobicContact CD-CZ 4.17Å; K815-F918 HydrophobicContact CG-CZ 4.48Å; E816-F918 WeakPolarHBondContact O-CD2 3.27Å; E816-F918 WeakPolarHBondContact O-CE2 3.41Å; Q817-F918 HydrophobicContact CB-CD2 3.86Å; M908-F918 HydrophobicContact CE-CD1 4.46Å; M908-F918 HydrophobicContact CE-CE1 4.39Å; T910-F918 HydrophobicContact CG2-CB 4.26Å; T910-F918 HydrophobicContact CG2-CD1 3.66Å; T910-F918 HydrophobicContact CG2-CG 4.45Å; T910-F918 PolarHBondContact N-O 2.93Å; T910-F918 PolarHBondContact O-N 3.48Å; N912-F918 HydrophobicContact CB-CB 4.06Å; N912-F918 HydrophobicContact CB-CG 4.39Å; Y916-F918 PolarHBondContact O-N 3.31Å; F918-K920 HydrophobicContact CE1-CD 3.86Å; F918-K920 VanDerWaalsContact CE1-CE 3.49Å; F918-K920 HydrophobicContact CE1-CG 3.6Å; F918-K920 HydrophobicContact CZ-CD 4.16Å; F918-K920 HydrophobicContact CZ-CG 3.71Å
919C95.6Very high93.7Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-120.8146178.670.70000111.7K815 E816 F829 L853 M908 V909K815-C919 WeakPolarHBondContact CA-O 3.46Å; E816-C919 PolarHBondContact N-O 3.24Å; E816-C919 PolarHBondContact O-N 3.22Å; F829-C919 HydrophobicContact CE2-CB 4.36Å; L853-C919 HydrophobicContact CD1-CB 4.35Å; L853-C919 HydrophobicContact CD2-CB 4.4Å; M908-C919 CarbonylContact O-C 3.53Å; M908-C919 VanDerWaalsContact O-CA 3.23Å; M908-C919 WeakPolarHBondContact O-CA 3.43Å; V909-C919 HydrophobicContact CG2-CB 4.41Å
920K96.4Very high93.7Very high12 Ų1239.3 Ų39.35%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-125.7125.2167.4-71.5179.9167.9165.20109R114 L115 N117 M744 Y814 K815 M908 F918R114-K920 PolarHBondContact O-NZ 2.92Å; L115-K920 WeakPolarHBondContact O-CE 3.41Å; L115-K920 PolarHBondContact O-NZ 3.33Å; N117-K920 WeakPolarHBondContact OD1-CE 3.2Å; N117-K920 PolarHBondContact OD1-NZ 3.12Å; M744-K920 HydrophobicContact CB-CB 4.46Å; M744-K920 HydrophobicContact CB-CD 3.81Å; M744-K920 HydrophobicContact CG-CB 4.41Å; M744-K920 HydrophobicContact CG-CD 4.37Å; Y814-K920 CarbonylContact O-C 3.51Å; Y814-K920 VanDerWaalsContact O-CA 3.27Å; Y814-K920 WeakPolarHBondContact O-CA 3.47Å; K815-K920 HydrophobicContact CB-CG 3.97Å; M908-K920 HydrophobicContact CE-CB 4.04Å; M908-K920 HydrophobicContact CE-CD 3.91Å; M908-K920 HydrophobicContact CE-CG 4.02Å; M908-K920 PolarHBondContact N-O 3.39Å; M908-K920 PolarHBondContact O-N 3.38Å; F918-K920 HydrophobicContact CE1-CD 3.86Å; F918-K920 VanDerWaalsContact CE1-CE 3.49Å; F918-K920 HydrophobicContact CE1-CG 3.6Å; F918-K920 HydrophobicContact CZ-CD 4.16Å; F918-K920 HydrophobicContact CZ-CG 3.71Å
921I96.8Very high93.8Very high0 Ų042.3 Ų42.30%021%0.206CC..EExtended strand (participates in β ladder)trans-117.3119.2177.9-55.7-169.9000108.3S813 Y814 L853 I854 I866 I867 V904 V907S813-I921 CarbonylContact C-O 3.53Å; S813-I921 WeakPolarHBondContact CA-O 3.48Å; Y814-I921 PolarHBondContact N-O 3.14Å; Y814-I921 PolarHBondContact O-N 3.23Å; L853-I921 HydrophobicContact CD2-CD1 4.45Å; I854-I921 HydrophobicContact CG2-CD1 3.99Å; I854-I921 HydrophobicContact CG2-CG2 4.27Å; I866-I921 WeakPolarHBondContact O-CD1 3.4Å; I867-I921 HydrophobicContact CD1-CD1 4.07Å; I867-I921 HydrophobicContact CD1-CG1 4.3Å; I867-I921 HydrophobicContact CG1-CD1 3.5Å; I867-I921 VanDerWaalsContact CG1-CD1 3.5Å; I867-I921 HydrophobicContact CG1-CG1 4.26Å; V904-I921 HydrophobicContact CG1-CG2 3.78Å; V907-I921 HydrophobicContact CG1-CD1 4.46Å; V907-I921 HydrophobicContact CG1-CG1 4.16Å; V907-I921 HydrophobicContact CG2-CB 4.49Å; V907-I921 HydrophobicContact CG2-CD1 4.38Å; V907-I921 HydrophobicContact CG2-CG1 4.15Å; V907-I921 HydrophobicContact CG2-CG2 3.95Å
922R97.1Very high94Very high6 Ų639.6 Ų39.62%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-97.7129175.9-167.8168.174.5-163.3-3.5109.8F740 H741 R743 M744 Y811 R812 D905 Q906F740-R922 PolarHBondContact O-NH1 2.9Å; H741-R922 VanDerWaalsContact O-CZ 3.31Å; H741-R922 PolarHBondContact O-NH1 3.48Å; H741-R922 PolarHBondContact O-NH2 3.22Å; R743-R922 PolarHBondContact O-NH1 3.05Å; M744-R922 HydrophobicContact SD-CB 3.7Å; M744-R922 HydrophobicContact SD-CG 4.48Å; Y811-R922 HydrophobicContact CD1-CG 4.06Å; R812-R922 CarbonylContact O-C 3.55Å; R812-R922 WeakPolarHBondContact O-CA 3.45Å; D905-R922 HydrophobicContact CB-CB 4.48Å; D905-R922 HydrophobicContact CB-CG 4.48Å; D905-R922 WeakPolarHBondContact CB-O 3.43Å; D905-R922 PolarHBondContact N-O 3.41Å; D905-R922 IonicContact OD2-CZ 2.91Å; D905-R922 IonicContact OD2-NE 2.85Å; D905-R922 PolarHBondContact OD2-NE 3.37Å; D905-R922 IonicContact OD2-NH2 3.85Å; D905-R922 PolarHBondContact OD2-NH2 3.44Å; Q906-R922 PolarHBondContact N-O 3.35Å; Q906-R922 PolarHBondContact O-N 3.24Å; Q906-R922 VanDerWaalsContact OE1-NH2 3.13Å
923V96.7Very high94.4Very high9 Ų939.3 Ų39.36%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-112130.8176-1780000108.3Y811 R812 Y814 V860 L896 I903Y811-V923 WeakPolarHBondContact CA-O 3.25Å; R812-V923 PolarHBondContact N-O 2.84Å; R812-V923 PolarHBondContact O-N 2.8Å; Y814-V923 HydrophobicContact CD2-CG2 4.33Å; Y814-V923 HydrophobicContact CE2-CG2 4.28Å; V860-V923 HydrophobicContact CG2-CG1 3.86Å; V860-V923 HydrophobicContact CG2-CG2 4.38Å; L896-V923 HydrophobicContact CD1-CG1 4.49Å; L896-V923 HydrophobicContact CD1-CG2 4.14Å; I903-V923 WeakPolarHBondContact O-CA 3.33Å
924R96.4Very high95Very high86 Ų8639.4 Ų39.433%0.32520%0.196SC..EExtended strand (participates in β ladder)trans-103.6141.6175.464.8176.6177.486.21.3111.3V809 F810 Y811 G902 I903 D905V809-R924 HydrophobicContact CG2-CB 4.15Å; F810-R924 CarbonylContact O-C 3.35Å; F810-R924 WeakPolarHBondContact O-CA 3.14Å; Y811-R924 HydrophobicContact CD1-CB 3.78Å; Y811-R924 HydrophobicContact CE1-CB 3.65Å; G902-R924 CarbonylContact C-O 3.59Å; G902-R924 WeakPolarHBondContact CA-O 3.47Å; I903-R924 HydrophobicContact CB-CG 4.32Å; I903-R924 PolarHBondContact N-O 3.05Å; I903-R924 WeakPolarHBondContact O-CG 3.48Å; I903-R924 PolarHBondContact O-N 3.42Å; D905-R924 HydrophobicContact CB-CB 4.04Å; D905-R924 HydrophobicContact CB-CG 3.94Å; D905-R924 WeakPolarHBondContact OD1-CD 3.39Å; D905-R924 IonicContact OD1-NE 3.8Å
925S95.7Very high95.6Very high19 Ų1935.3 Ų35.313%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-139.4131.3176.4-174.50000109.2F810 T901F810-S925 WeakPolarHBondContact CB-O 3.45Å; F810-S925 PolarHBondContact N-O 3.48Å; F810-S925 PolarHBondContact O-N 3.13Å; T901-S925 VanDerWaalsContact O-CB 3.27Å; T901-S925 WeakPolarHBondContact O-CB 3.2Å; T901-S925 PolarHBondContact O-OG 3.18Å
926V96.3Very high96.2Very high61 Ų6134.5 Ų34.537%0.3717%0.169SC..EExtended strand (participates in β ladder)trans-88.4128.2178.4-176.90000108.7Y752Y752-V926 HydrophobicContact CE1-CG1 4.28Å; Y752-V926 WeakPolarHBondContact OH-CG1 3.38Å; Y752-V926 WeakPolarHBondContact OH-CG2 3.41Å
927R95.6Very high96.4Very high18 Ų1830.8 Ų30.87%0.06815%0.154CC..EExtended strand (participates in β ladder)trans-110.3106.5179.4-57.9-60.6-170.1106.912109.1S808 F810 R1050 M1054 D1056 D1057S808-R927 PolarHBondContact N-O 3.32Å; S808-R927 VanDerWaalsContact N-O 3.12Å; S808-R927 PolarHBondContact O-N 3.3Å; F810-R927 HydrophobicContact CB-CG 4.01Å; R927-R1050 PolarHBondContact O-NH1 3.22Å; R927-M1054 HydrophobicContact CB-SD 3.67Å; R927-M1054 HydrophobicContact CG-CE 3.99Å; R927-M1054 HydrophobicContact CG-SD 3.71Å; R927-D1056 IonicContact NH1-OD2 3.11Å; R927-D1057 IonicContact CZ-OD1 3.73Å; R927-D1057 IonicContact NH1-OD1 2.82Å; R927-D1057 PolarHBondContact NH1-OD1 3.42Å; R927-D1057 IonicContact NH1-OD2 3.59Å; R927-D1057 IonicContact NH2-OD1 3.43Å; R927-D1057 PolarHBondContact NH2-OD1 2.84Å; R927-D1057 IonicContact NH2-OD2 2.67Å
928I97.7Very high96.6Very high68 Ų6826.7 Ų26.735%0.34914%0.136SC..  trans-82.8137.2173.9-58.2174.2000108V801 R807 Q930 R1050V801-I928 HydrophobicContact CG1-CG2 3.44Å; V801-I928 VanDerWaalsContact CG1-CG2 3.44Å; R807-I928 HydrophobicContact CG-CG1 4.43Å; I928-Q930 PolarHBondContact O-N 3.34Å; I928-R1050 PolarHBondContact O-NH2 3.45Å
929P97.7Very high96.7Very high0 Ų026.5 Ų26.50%014%0.135CC..  trans-51.5128170.5-32.539000112.8M796 V801 F805 F806 F935 Q948M796-P929 HydrophobicContact SD-CB 4.21Å; V801-P929 HydrophobicContact CG1-CB 4.13Å; V801-P929 HydrophobicContact CG1-CG 4.36Å; V801-P929 HydrophobicContact CG2-CB 4.1Å; F805-P929 WeakPolarHBondContact O-CG 3.35Å; F806-P929 HydrophobicContact CB-CG 3.64Å; P929-F935 HydrophobicContact CB-CZ 3.98Å; P929-F935 HydrophobicContact CG-CZ 4.39Å; P929-Q948 PolarHBondContact O-NE2 3.43Å
930Q96.1Very high96.6Very high64 Ų6426.6 Ų26.630%0.29914%0.136SC..  trans-139.2172.7178.364.9-179.3-6.200112.1I928 G932 D933 C945 V1055 D1056I928-Q930 PolarHBondContact O-N 3.34Å; Q930-G932 PolarHBondContact O-N 3.49Å; Q930-D933 WeakPolarHBondContact O-CB 3.46Å; Q930-D933 PolarHBondContact O-N 3.44Å; Q930-C945 WeakPolarHBondContact O-CB 3.19Å; Q930-V1055 HydrophobicContact CG-CG1 3.99Å; Q930-D1056 PolarHBondContact NE2-OD1 3.27Å; Q930-D1056 PolarHBondContact NE2-OD2 3.32Å
931I97.3Very high96.5Very high94 Ų9426.5 Ų26.548%0.48214%0.136SC..THydrogen-bonded Turntrans-58.2134.1177.6-61.9173.7000109.6C945 G946 V1055I931-C945 WeakPolarHBondContact CA-O 3.47Å; I931-C945 WeakPolarHBondContact CG2-O 3.43Å; I931-G946 WeakPolarHBondContact CG2-O 3.48Å; I931-V1055 WeakPolarHBondContact O-CG1 3.33Å
932G95.8Very high96.4Very high28 Ų2831.3 Ų31.329%0.28916%0.157SC..THydrogen-bonded Turntrans89.6-13.3-177.200000115.5Q930 C945Q930-G932 PolarHBondContact O-N 3.49Å; G932-C945 PolarHBondContact N-O 3.32Å
933D97.1Very high96.3Very high2 Ų231.5 Ų31.51%0.01116%0.161CC..  trans-66.6146169.5-78.7-1.7000110.9Q930 F935 T944 C945 R1050 M1054 V1055Q930-D933 WeakPolarHBondContact O-CB 3.46Å; Q930-D933 PolarHBondContact O-N 3.44Å; D933-F935 HydrophobicContact CB-CE2 3.8Å; D933-F935 HydrophobicContact CB-CZ 4.32Å; D933-T944 WeakPolarHBondContact O-CA 3.34Å; D933-C945 PolarHBondContact O-N 3.16Å; D933-R1050 IonicContact OD2-CZ 2.68Å; D933-R1050 IonicContact OD2-NE 3.56Å; D933-R1050 IonicContact OD2-NH2 3.68Å; D933-R1050 PolarHBondContact OD2-NH2 3.38Å; D933-M1054 VanDerWaalsContact OD1-CA 3.24Å; D933-M1054 WeakPolarHBondContact OD1-CA 3.43Å; D933-M1054 WeakPolarHBondContact OD1-CB 3.33Å; D933-V1055 PolarHBondContact OD1-N 2.81Å
934K97.4Very high96.3Very high88 Ų8833.6 Ų33.638%0.38317%0.174SC..EExtended strand (participates in β ladder)trans-97.7131.5-176.8-65.3-173.7-178.5-176.40112.4T944 L1051 H1053K934-T944 HydrophobicContact CG-CG2 3.79Å; K934-L1051 HydrophobicContact CB-CB 4.27Å; K934-L1051 HydrophobicContact CB-CD1 4.15Å; K934-L1051 WeakPolarHBondContact O-CB 3.47Å; K934-L1051 PolarHBondContact O-N 2.91Å; K934-H1053 HydrophobicContact CB-CB 4.34Å; K934-H1053 HydrophobicContact CD-CB 3.88Å; K934-H1053 HydrophobicContact CG-CB 4.31Å; K934-H1053 PolarHBondContact N-O 3.46Å
935F97.8Very high96.3Very high1 Ų129.5 Ų29.50%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-123156174.2-62.2-91.9000109.5M796 F806 P929 D933 K942 G943 C945 Y1048 Q1049 R1050M796-F935 HydrophobicContact CE-CD1 4.21Å; M796-F935 HydrophobicContact CE-CD2 3.79Å; M796-F935 HydrophobicContact CE-CE1 3.99Å; M796-F935 HydrophobicContact CE-CE2 3.58Å; M796-F935 HydrophobicContact CE-CG 4.13Å; M796-F935 HydrophobicContact CE-CZ 3.7Å; M796-F935 HydrophobicContact SD-CZ 4.38Å; F806-F935 HydrophobicContact CB-CE1 4.06Å; F806-F935 HydrophobicContact CD2-CD1 4.21Å; F806-F935 AromaticContact CD2-CE1 3.83Å; F806-F935 HydrophobicContact CD2-CE1 3.83Å; F806-F935 HydrophobicContact CE2-CD1 4.36Å; F806-F935 HydrophobicContact CE2-CE1 4.42Å; F806-F935 AromaticContact CG-CE1 3.92Å; F806-F935 HydrophobicContact CG-CE1 3.92Å; P929-F935 HydrophobicContact CB-CZ 3.98Å; P929-F935 HydrophobicContact CG-CZ 4.39Å; D933-F935 HydrophobicContact CB-CE2 3.8Å; D933-F935 HydrophobicContact CB-CZ 4.32Å; F935-K942 CarbonylContact O-C 3.55Å; F935-K942 WeakPolarHBondContact O-CA 3.33Å; F935-G943 PolarHBondContact N-O 3.31Å; F935-G943 PolarHBondContact O-N 2.98Å; F935-G943 VanDerWaalsContact O-O 3.09Å; F935-C945 HydrophobicContact CE2-CB 4.22Å; F935-Y1048 HydrophobicContact CB-CD1 4.4Å; F935-Q1049 CarbonylContact C-O 3.5Å; F935-Q1049 VanDerWaalsContact CA-O 3.29Å; F935-Q1049 WeakPolarHBondContact CA-O 3.38Å; F935-R1050 HydrophobicContact CD1-CB 3.91Å; F935-R1050 HydrophobicContact CD1-CG 4.08Å; F935-R1050 HydrophobicContact CE1-CB 3.66Å; F935-R1050 HydrophobicContact CE1-CG 3.52Å; F935-R1050 HydrophobicContact CZ-CG 3.96Å
936A97.3Very high96.4Very high0 Ų029.7 Ų29.70%016%0.164CC..EExtended strand (participates in β ladder)trans-143.5145.7173.100000111.4M728 Q941 K942 Q1049 L1051M728-A936 HydrophobicContact SD-CB 4.09Å; A936-Q941 WeakPolarHBondContact CA-O 3.45Å; A936-K942 HydrophobicContact CB-CB 4.47Å; A936-Q1049 PolarHBondContact N-O 2.87Å; A936-Q1049 PolarHBondContact O-N 3.14Å; A936-L1051 HydrophobicContact CB-CD1 4.22Å; A936-L1051 HydrophobicContact CB-CD2 4.28Å; A936-L1051 HydrophobicContact CB-CG 4.42Å
937S96.4Very high96.5Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-77.8176.1163.576.80000110.3Q725 H939 Q941Q725-S937 PolarHBondContact OE1-O 3.35Å; S937-H939 PolarHBondContact O-N 3.29Å; S937-H939 PolarHBondContact OG-N 3.27Å; S937-Q941 PolarHBondContact N-O 2.79Å; S937-Q941 VanDerWaalsContact N-O 3.15Å
938R96.9Very high96.6Very high1 Ų129 Ų290%0.00416%0.157CC..THydrogen-bonded Turntrans-75.98.3173.5-66.5-171.2-68.4170.6-12.2114.9I710 I711 Q725 V759 M764 E983 Y1047I710-R938 WeakPolarHBondContact O-CD 3.45Å; I710-R938 PolarHBondContact O-NH1 2.84Å; I711-R938 WeakPolarHBondContact CG2-O 2.92Å; Q725-R938 WeakPolarHBondContact CG-O 3.43Å; V759-R938 VanDerWaalsContact O-CZ 3.28Å; V759-R938 PolarHBondContact O-NH1 3.03Å; V759-R938 PolarHBondContact O-NH2 3.1Å; M764-R938 VanDerWaalsContact CE-NH1 3.31Å; R938-E983 IonicContact CZ-OE1 2.74Å; R938-E983 IonicContact NE-OE1 3.87Å; R938-E983 PolarHBondContact NE-OE1 2.97Å; R938-E983 VanDerWaalsContact NH2-CD 3.33Å; R938-E983 IonicContact NH2-OE1 3.68Å; R938-E983 PolarHBondContact NH2-OE1 3.32Å; R938-Y1047 HydrophobicContact CG-CD1 3.91Å
939H97.4Very high96.7Very high0 Ų027.3 Ų27.30%015%0.147CC..THydrogen-bonded Turntrans-116.524.9-175.9-62.9-88000112.9P712 N717 S937 Q941 T977 G979 H980 E983P712-H939 WeakPolarHBondContact CG-NE2 3.19Å; P712-H939 PolarHBondContact O-CE1 3.29Å; N717-H939 PolarHBondContact ND2-ND1 3Å; N717-H939 PolarHBondContact OD1-ND1 3.31Å; S937-H939 PolarHBondContact O-N 3.29Å; S937-H939 PolarHBondContact OG-N 3.27Å; H939-Q941 PolarHBondContact O-N 3.26Å; H939-T977 HydrophobicContact CB-CG2 4.33Å; H939-G979 PolarHBondContact CE1-O 3.13Å; H939-H980 HydrophobicContact CB-CB 4.09Å; H939-H980 VanDerWaalsContact CD2-CA 3.48Å; H939-H980 WeakPolarHBondContact CD2-CA 3.44Å; H939-H980 AromaticContact CD2-ND1 3.65Å; H939-H980 PolarHBondContact CE1-N 3.37Å; H939-H980 WeakPolarHBondContact NE2-CA 3.44Å; H939-E983 IonicContact CD2-OE2 2.84Å; H939-E983 PolarHBondContact CD2-OE2 3.33Å; H939-E983 VanDerWaalsContact CD2-OE2 3.31Å; H939-E983 IonicContact NE2-OE2 3.32Å; H939-E983 PolarHBondContact NE2-OE2 3.11Å
940G93.5Very high96.7Very high2 Ų233.9 Ų33.92%0.02117%0.172CC..SBendtrans68.322.6178.600000113.3
941Q93.9Very high96.7Very high10 Ų1034 Ų345%0.04717%0.172CC..  trans-95.393.8171.3-63.3-169.12.300109.4A936 S937 H939 I972 T977A936-Q941 WeakPolarHBondContact CA-O 3.45Å; S937-Q941 PolarHBondContact N-O 2.79Å; S937-Q941 VanDerWaalsContact N-O 3.15Å; H939-Q941 PolarHBondContact O-N 3.26Å; Q941-I972 VanDerWaalsContact NE2-CD1 3.3Å; Q941-T977 HydrophobicContact CG-CG2 4.37Å; Q941-T977 PolarHBondContact NE2-OG1 2.77Å
942K94.8Very high96.7Very high100 Ų10034.1 Ų34.144%0.43517%0.171SC..EExtended strand (participates in β ladder)trans-83.5141.4169.461.4177173.1-158.90110M728 F935 A936M728-K942 HydrophobicContact CE-CB 3.9Å; M728-K942 HydrophobicContact CE-CD 3.71Å; M728-K942 HydrophobicContact CE-CG 3.83Å; M728-K942 HydrophobicContact SD-CB 3.92Å; F935-K942 CarbonylContact O-C 3.55Å; F935-K942 WeakPolarHBondContact O-CA 3.33Å; A936-K942 HydrophobicContact CB-CB 4.47Å
943G94.1Very high96.8Very high11 Ų1134.8 Ų34.811%0.11317%0.168CC..EExtended strand (participates in β ladder)trans-149.8155.4170.400000112.7D792 F935D792-G943 CarbonylContact O-C 3.44Å; D792-G943 WeakPolarHBondContact O-CA 3.34Å; F935-G943 PolarHBondContact N-O 3.31Å; F935-G943 PolarHBondContact O-N 2.98Å; F935-G943 VanDerWaalsContact O-O 3.09Å
944T97.1Very high96.8Very high52 Ų5234.7 Ų34.732%0.31917%0.168SC..EExtended strand (participates in β ladder)trans-94.1143.5173.445.60000110.5D792 S793 V794 D933 K934 G946D792-T944 PolarHBondContact O-N 2.89Å; D792-T944 VanDerWaalsContact O-N 3.08Å; S793-T944 CarbonylContact C-O 3.56Å; S793-T944 VanDerWaalsContact CA-O 3.24Å; S793-T944 WeakPolarHBondContact CA-O 3.48Å; V794-T944 PolarHBondContact N-O 2.83Å; D933-T944 WeakPolarHBondContact O-CA 3.34Å; K934-T944 HydrophobicContact CG-CG2 3.79Å; T944-G946 PolarHBondContact O-N 3.05Å; T944-G946 VanDerWaalsContact O-N 3.11Å
945C97.5Very high96.9Very high1 Ų130.7 Ų30.71%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-62.4115169.4-174.80000109.3Q930 I931 G932 D933 F935Q930-C945 WeakPolarHBondContact O-CB 3.19Å; I931-C945 WeakPolarHBondContact CA-O 3.47Å; I931-C945 WeakPolarHBondContact CG2-O 3.43Å; G932-C945 PolarHBondContact N-O 3.32Å; D933-C945 PolarHBondContact O-N 3.16Å; F935-C945 HydrophobicContact CE2-CB 4.22Å
946G97.1Very high96.9Very high23 Ų2334 Ų3424%0.23717%0.165CC..EExtended strand (participates in β ladder)trans-86.6-44.8-178.100000112.7V794 I931 T944V794-G946 PolarHBondContact O-N 3.34Å; I931-G946 WeakPolarHBondContact CG2-O 3.48Å; T944-G946 PolarHBondContact O-N 3.05Å; T944-G946 VanDerWaalsContact O-N 3.11Å
947I98.1Very high96.8Very high31 Ų3134.1 Ų34.116%0.15917%0.166CC..EExtended strand (participates in β ladder)trans-150.8161.9174.9-163.4164.2000110.2Y788 I795 M796 Y949Y788-I947 HydrophobicContact CD1-CB 4.14Å; Y788-I947 HydrophobicContact CD1-CD1 4.17Å; Y788-I947 HydrophobicContact CD1-CG2 4.41Å; Y788-I947 HydrophobicContact CD2-CB 4.47Å; Y788-I947 HydrophobicContact CD2-CD1 3.85Å; Y788-I947 HydrophobicContact CD2-CG2 4.07Å; Y788-I947 HydrophobicContact CE1-CD1 4.13Å; Y788-I947 HydrophobicContact CE2-CD1 3.8Å; Y788-I947 HydrophobicContact CG-CB 3.94Å; Y788-I947 HydrophobicContact CG-CD1 4.04Å; Y788-I947 HydrophobicContact CG-CG2 3.71Å; I795-I947 HydrophobicContact CB-CG2 4.35Å; I795-I947 HydrophobicContact CG1-CG2 3.72Å; I795-I947 HydrophobicContact CG2-CG2 4.18Å; M796-I947 PolarHBondContact N-O 2.89Å; I947-Y949 HydrophobicContact CD1-CE1 4.15Å; I947-Y949 HydrophobicContact CD1-CE2 4.45Å; I947-Y949 HydrophobicContact CG2-CD2 4.08Å; I947-Y949 HydrophobicContact CG2-CE2 3.71Å
948Q98.3Very high96.7Very high32 Ų3238.8 Ų38.815%0.1520%0.197CC..EExtended strand (participates in β ladder)trans-121.5123.3172.1-59.3-178.6-16.200110M796 R798 P929M796-Q948 HydrophobicContact CB-CG 4.37Å; M796-Q948 WeakPolarHBondContact O-CA 3.34Å; R798-Q948 HydrophobicContact CB-CB 4.02Å; P929-Q948 PolarHBondContact O-NE2 3.43Å
949Y98.3Very high96.4Very high34 Ų3444.7 Ų44.713%0.13323%0.225CC..EExtended strand (participates in β ladder)trans-106.7144.7174.9-77.4-58.5000110.4T786 I795 M796 N797 R798 I947 D953 M954 F1032T786-Y949 HydrophobicContact CG2-CE2 4.03Å; T786-Y949 WeakPolarHBondContact OG1-CE2 3.42Å; I795-Y949 HydrophobicContact CG2-CD2 3.66Å; I795-Y949 HydrophobicContact CG2-CE2 4.26Å; M796-Y949 PolarHBondContact O-N 2.94Å; M796-Y949 VanDerWaalsContact O-N 3.08Å; N797-Y949 CarbonylContact C-O 3.53Å; N797-Y949 WeakPolarHBondContact CA-O 3.46Å; R798-Y949 VanDerWaalsContact CB-O 3.32Å; R798-Y949 WeakPolarHBondContact CB-O 3.48Å; R798-Y949 PolarHBondContact N-O 2.93Å; I947-Y949 HydrophobicContact CD1-CE1 4.15Å; I947-Y949 HydrophobicContact CD1-CE2 4.45Å; I947-Y949 HydrophobicContact CG2-CD2 4.08Å; I947-Y949 HydrophobicContact CG2-CE2 3.71Å; Y949-D953 HydrophobicContact CD1-CB 3.9Å; Y949-D953 HydrophobicContact CG-CB 4.14Å; Y949-M954 HydrophobicContact CD2-SD 4.44Å; Y949-F1032 HydrophobicContact CE1-CZ 4.22Å
950R98.2Very high96.3Very high137 Ų13746.5 Ų46.552%0.51724%0.243SC..  trans-74.2165.3174-63.6-178.1-66.3177.39.6110.3R798 E952 D953 M954R798-R950 HydrophobicContact CB-CG 4.11Å; R798-R950 HydrophobicContact CG-CG 4.16Å; R950-E952 HydrophobicContact CB-CG 4.34Å; R950-E952 WeakPolarHBondContact CB-OE1 3.47Å; R950-E952 WeakPolarHBondContact CB-OE2 3.1Å; R950-E952 WeakPolarHBondContact CD-OE1 3.5Å; R950-E952 IonicContact CZ-OE1 2.72Å; R950-E952 IonicContact NE-OE1 2.76Å; R950-E952 PolarHBondContact NE-OE1 2.79Å; R950-E952 IonicContact NH1-OE1 3.81Å; R950-E952 IonicContact NH2-OE1 3.89Å; R950-E952 PolarHBondContact NH2-OE1 3.15Å; R950-E952 VanDerWaalsContact NH2-OE1 3.11Å; R950-E952 PolarHBondContact O-N 3.4Å; R950-E952 VanDerWaalsContact O-N 3.15Å; R950-D953 PolarHBondContact O-N 2.96Å; R950-M954 WeakPolarHBondContact O-CG 3.26Å; R950-M954 PolarHBondContact O-N 3.21Å
951Q97.6Very high96.4Very high66 Ų6649.8 Ų49.831%0.30826%0.259SS..THydrogen-bonded Turntrans-54.6-35.6-175.2-172.8171.8-4.200112.9S799 D953 M954 T962S799-Q951 PolarHBondContact OG-N 3.25Å; Q951-D953 VanDerWaalsContact C-N 3.32Å; Q951-D953 PolarHBondContact O-N 3.17Å; Q951-M954 PolarHBondContact O-N 3.11Å; Q951-T962 HydrophobicContact CG-CG2 3.93Å
952E96.9Very high96.6Very high98 Ų9850.1 Ų50.146%0.45826%0.262SS..THydrogen-bonded Turntrans-65.6-30.2177.659.9-91.1-149.800114.3R950 G1031R950-E952 HydrophobicContact CB-CG 4.34Å; R950-E952 WeakPolarHBondContact CB-OE1 3.47Å; R950-E952 WeakPolarHBondContact CB-OE2 3.1Å; R950-E952 WeakPolarHBondContact CD-OE1 3.5Å; R950-E952 IonicContact CZ-OE1 2.72Å; R950-E952 IonicContact NE-OE1 2.76Å; R950-E952 PolarHBondContact NE-OE1 2.79Å; R950-E952 IonicContact NH1-OE1 3.81Å; R950-E952 IonicContact NH2-OE1 3.89Å; R950-E952 PolarHBondContact NH2-OE1 3.15Å; R950-E952 VanDerWaalsContact NH2-OE1 3.11Å; R950-E952 PolarHBondContact O-N 3.4Å; R950-E952 VanDerWaalsContact O-N 3.15Å; E952-G1031 CarbonylContact O-C 3.43Å; E952-G1031 WeakPolarHBondContact O-CA 3.27Å
953D97.4Very high96.8Very high42 Ų4245.3 Ų45.323%0.22524%0.242CC..THydrogen-bonded Turntrans-90.9-12.6-178.6-63.5-44.3000111.7Y785 Y949 R950 Q951 F1032Y785-D953 PolarHBondContact OH-O 3.24Å; Y949-D953 HydrophobicContact CD1-CB 3.9Å; Y949-D953 HydrophobicContact CG-CB 4.14Å; R950-D953 PolarHBondContact O-N 2.96Å; Q951-D953 VanDerWaalsContact C-N 3.32Å; Q951-D953 PolarHBondContact O-N 3.17Å; D953-F1032 HydrophobicContact CB-CD1 4.49Å; D953-F1032 HydrophobicContact CB-CE1 3.74Å; D953-F1032 HydrophobicContact CB-CZ 4.22Å; D953-F1032 WeakPolarHBondContact OD1-CE1 3.49Å
954M97.9Very high97Very high0 Ų046.3 Ų46.30%024%0.244CC..SBendtrans-79.6145.3-179.8-71.2-66-80.400111I795 N797 Y949 R950 Q951 T962 P963 I966I795-M954 HydrophobicContact CG2-CE 4.48Å; I795-M954 HydrophobicContact CG2-SD 4.08Å; N797-M954 HydrophobicContact CB-CE 4.25Å; Y949-M954 HydrophobicContact CD2-SD 4.44Å; R950-M954 WeakPolarHBondContact O-CG 3.26Å; R950-M954 PolarHBondContact O-N 3.21Å; Q951-M954 PolarHBondContact O-N 3.11Å; M954-T962 HydrophobicContact CB-CG2 4.03Å; M954-P963 HydrophobicContact CE-CG 3.91Å; M954-P963 WeakPolarHBondContact CE-O 3.29Å; M954-I966 HydrophobicContact CE-CD1 3.61Å; M954-I966 HydrophobicContact CE-CG1 3.88Å; M954-I966 HydrophobicContact SD-CD1 4.11Å
955P98Very high97Very high4 Ų443.9 Ų43.93%0.02623%0.229CC..  trans-66.7144.7172.131.1-35.3000110P963 I966 L1028 Y1029P955-P963 HydrophobicContact CG-CG 4.32Å; P955-P963 WeakPolarHBondContact O-CD 3.48Å; P955-I966 HydrophobicContact CG-CD1 3.81Å; P955-L1028 HydrophobicContact CB-CD2 4.16Å; P955-L1028 HydrophobicContact CG-CD2 4.37Å; P955-Y1029 WeakPolarHBondContact CA-O 3.36Å; P955-Y1029 WeakPolarHBondContact CB-O 3.49Å
956F97.8Very high97.1Very high70 Ų7043.8 Ų43.831%0.30723%0.229SC..BIsolated β-bridgetrans-129.5152.3-174.661.3-84.6000111.8I961 T962 L1028 Y1029F956-I961 WeakPolarHBondContact CA-O 3.4Å; F956-T962 HydrophobicContact CB-CG2 3.84Å; F956-L1028 CarbonylContact O-C 3.58Å; F956-L1028 VanDerWaalsContact O-CA 3.32Å; F956-L1028 WeakPolarHBondContact O-CA 3.22Å; F956-Y1029 HydrophobicContact CD2-CD2 4.27Å; F956-Y1029 HydrophobicContact CE2-CD2 4.02Å; F956-Y1029 AromaticContact CE2-CG 3.99Å; F956-Y1029 HydrophobicContact CE2-CG 3.99Å; F956-Y1029 HydrophobicContact CZ-CG 4.11Å; F956-Y1029 PolarHBondContact N-O 2.81Å; F956-Y1029 VanDerWaalsContact N-O 3.14Å; F956-Y1029 WeakPolarHBondContact O-CD2 3.04Å; F956-Y1029 PolarHBondContact O-N 2.96Å
957T96.5Very high97.1Very high3 Ų343 Ų432%0.01822%0.219CC..  trans-82.3176.817568.70000111.4E959 G960 I961 E1026 L1028 I1043T957-E959 PolarHBondContact O-N 3Å; T957-E959 VanDerWaalsContact O-N 3.16Å; T957-E959 PolarHBondContact OG1-N 3.08Å; T957-G960 PolarHBondContact O-N 2.91Å; T957-I961 HydrophobicContact CG2-CB 4.29Å; T957-I961 PolarHBondContact N-O 3.31Å; T957-I961 PolarHBondContact OG1-N 3.35Å; T957-E1026 VanDerWaalsContact CG2-OE2 3.22Å; T957-E1026 WeakPolarHBondContact CG2-OE2 3.18Å; T957-L1028 HydrophobicContact CG2-CD1 3.94Å; T957-L1028 HydrophobicContact CG2-CG 4.21Å; T957-I1043 HydrophobicContact CG2-CD1 4.2Å
958C92.7Very high97.1Very high97 Ų9742 Ų4266%0.65521%0.214SC*.THydrogen-bonded Turntrans-56.7-28.5174.1-63.20000113.7G960C958-G960 VanDerWaalsContact C-N 3.34Å
959E91.9Very high97Very high126 Ų12642.7 Ų42.759%0.58922%0.221SC*.THydrogen-bonded Turntrans-85.9-6.9179.3-65.4169.5-17800112.7T957 I961T957-E959 PolarHBondContact O-N 3Å; T957-E959 VanDerWaalsContact O-N 3.16Å; T957-E959 PolarHBondContact OG1-N 3.08Å; E959-I961 HydrophobicContact CB-CG1 4.31Å; E959-I961 WeakPolarHBondContact OE2-CD1 3.36Å
960G93.9Very high96.9Very high37 Ų3747.9 Ų47.938%0.38125%0.246SC..  trans84.313.7-175.600000114.3T957 C958 T962T957-G960 PolarHBondContact O-N 2.91Å; C958-G960 VanDerWaalsContact C-N 3.34Å; G960-T962 PolarHBondContact O-N 2.78Å
961I97Very high96.7Very high71 Ų7142.2 Ų42.236%0.36423%0.229SC..PPolyproline II helixtrans-72120.5173.3-58.6174.4000108.5I779 F956 T957 E959I779-I961 HydrophobicContact CG2-CG2 4.33Å; F956-I961 WeakPolarHBondContact CA-O 3.4Å; T957-I961 HydrophobicContact CG2-CB 4.29Å; T957-I961 PolarHBondContact N-O 3.31Å; T957-I961 PolarHBondContact OG1-N 3.35Å; E959-I961 HydrophobicContact CB-CG1 4.31Å; E959-I961 WeakPolarHBondContact OE2-CD1 3.36Å
962T98Very high96.6Very high17 Ų1740.2 Ų40.210%0.10422%0.22CC..PPolyproline II helixtrans-101.1135.4170.754.40000109.6N797 Q951 M954 F956 G960N797-T962 PolarHBondContact ND2-OG1 3.17Å; Q951-T962 HydrophobicContact CG-CG2 3.93Å; M954-T962 HydrophobicContact CB-CG2 4.03Å; F956-T962 HydrophobicContact CB-CG2 3.84Å; G960-T962 PolarHBondContact O-N 2.78Å
963P98.1Very high96.5Very high0 Ų040 Ų400%023%0.227CC..PPolyproline II helixtrans-65.9147.6179.226.7-29.7000111.1I779 A781 N797 M954 P955 I966 I1043I779-P963 HydrophobicContact CG2-CB 4.35Å; I779-P963 CarbonylContact O-C 3.56Å; A781-P963 HydrophobicContact CB-CB 3.77Å; A781-P963 HydrophobicContact CB-CG 3.85Å; N797-P963 PolarHBondContact ND2-O 2.83Å; M954-P963 HydrophobicContact CE-CG 3.91Å; M954-P963 WeakPolarHBondContact CE-O 3.29Å; P955-P963 HydrophobicContact CG-CG 4.32Å; P955-P963 WeakPolarHBondContact O-CD 3.48Å; P963-I966 HydrophobicContact CB-CG1 4.32Å; P963-I966 HydrophobicContact CG-CD1 4.13Å; P963-I966 HydrophobicContact CG-CG1 3.73Å; P963-I1043 HydrophobicContact CB-CD1 4.22Å
964D98.3Very high96.2Very high32 Ų3242.5 Ų42.517%0.17125%0.248CC..SBendtrans-77.3-35173.3-62-48.8000110.9I779 M796 N797 F805I779-D964 PolarHBondContact N-OD2 2.86Å; I779-D964 PolarHBondContact O-N 3.49Å; M796-D964 CarbonylContact C-O 3.42Å; M796-D964 WeakPolarHBondContact CA-O 3.21Å; N797-D964 PolarHBondContact N-O 3.43Å; F805-D964 HydrophobicContact CE1-CB 4.17Å; F805-D964 HydrophobicContact CE2-CB 4.37Å; F805-D964 HydrophobicContact CZ-CB 3.87Å
965I98.1Very high96Very high0 Ų044 Ų440%025%0.254CS..EExtended strand (participates in β ladder)trans-135.4134.5-179.4-59179.6000109.2I779 V780 A781 V794 I795 M796 F805 I967 Y1048I779-I965 PolarHBondContact O-N 3.14Å; I779-I965 VanDerWaalsContact O-N 3.15Å; V780-I965 WeakPolarHBondContact CA-O 3.48Å; V780-I965 HydrophobicContact CG2-CB 4.46Å; A781-I965 PolarHBondContact N-O 3.14Å; V794-I965 HydrophobicContact CB-CG2 3.93Å; V794-I965 HydrophobicContact CG1-CG2 4.32Å; V794-I965 HydrophobicContact CG2-CG2 4.34Å; I795-I965 CarbonylContact O-C 3.59Å; I795-I965 WeakPolarHBondContact O-CA 3.25Å; M796-I965 HydrophobicContact CE-CD1 4.34Å; M796-I965 HydrophobicContact CE-CG1 4.42Å; F805-I965 HydrophobicContact CE1-CD1 4.34Å; F805-I965 HydrophobicContact CE1-CG1 4.27Å; F805-I965 HydrophobicContact CZ-CD1 4.19Å; F805-I965 HydrophobicContact CZ-CG1 4.32Å; I965-I967 HydrophobicContact CG2-CG2 3.92Å; I965-Y1048 HydrophobicContact CD1-CD1 3.78Å; I965-Y1048 HydrophobicContact CD1-CE1 4.19Å; I965-Y1048 HydrophobicContact CD1-CG 4Å
966I98.4Very high95.9Very high0 Ų049.4 Ų49.40%028%0.28CS..EExtended strand (participates in β ladder)trans-112.5117.4167.9-53.8166.5000108.5A781 A783 Y785 I795 M954 P955 P963A781-I966 HydrophobicContact CB-CG1 4.3Å; A781-I966 CarbonylContact O-C 3.5Å; A781-I966 VanDerWaalsContact O-CA 3.29Å; A781-I966 WeakPolarHBondContact O-CA 3.44Å; A783-I966 HydrophobicContact CB-CG2 3.98Å; A783-I966 WeakPolarHBondContact O-CG2 3.16Å; Y785-I966 HydrophobicContact CD1-CD1 4.1Å; Y785-I966 HydrophobicContact CG-CD1 4.39Å; I795-I966 HydrophobicContact CB-CB 4.2Å; I795-I966 HydrophobicContact CG2-CD1 4.34Å; I795-I966 PolarHBondContact N-O 3.12Å; I795-I966 VanDerWaalsContact N-O 3.13Å; I795-I966 PolarHBondContact O-N 2.94Å; M954-I966 HydrophobicContact CE-CD1 3.61Å; M954-I966 HydrophobicContact CE-CG1 3.88Å; M954-I966 HydrophobicContact SD-CD1 4.11Å; P955-I966 HydrophobicContact CG-CD1 3.81Å; P963-I966 HydrophobicContact CB-CG1 4.32Å; P963-I966 HydrophobicContact CG-CD1 4.13Å; P963-I966 HydrophobicContact CG-CG1 3.73Å
967I97.6Very high95.7Very high6 Ų646.1 Ų46.13%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-100.4154.1173.267.7169.5000110.7V780 A781 I782 A783 V794 I965 H980 Y1048V780-I967 HydrophobicContact CG1-CD1 4.21Å; V780-I967 HydrophobicContact CG1-CG1 3.98Å; V780-I967 HydrophobicContact CG1-CG2 4.22Å; A781-I967 PolarHBondContact O-N 3Å; I782-I967 WeakPolarHBondContact CA-O 3.48Å; I782-I967 HydrophobicContact CB-CG1 4.3Å; I782-I967 HydrophobicContact CD1-CD1 4.12Å; I782-I967 HydrophobicContact CG1-CD1 3.91Å; I782-I967 HydrophobicContact CG1-CG1 3.79Å; I782-I967 HydrophobicContact CG2-CG1 4.32Å; A783-I967 PolarHBondContact N-O 3.12Å; A783-I967 VanDerWaalsContact O-O 3.11Å; V794-I967 HydrophobicContact CG1-CG2 3.82Å; I965-I967 HydrophobicContact CG2-CG2 3.92Å; I967-H980 WeakPolarHBondContact CD1-NE2 3.25Å; I967-Y1048 WeakPolarHBondContact CG2-OH 3.4Å
968N97.4Very high95.7Very high10 Ų1049.3 Ų49.35%0.05329%0.285CS..  trans-82.3134.6-179.3-171.7-42000111.5N789 H970 A971N789-N968 HydrophobicContact CB-CB 4.39Å; N789-N968 WeakPolarHBondContact O-CB 3.42Å; N968-H970 PolarHBondContact O-N 2.99Å; N968-H970 WeakPolarHBondContact OD1-CB 3.45Å; N968-H970 PolarHBondContact OD1-CD2 3.43Å; N968-H970 PolarHBondContact OD1-N 3.31Å; N968-A971 WeakPolarHBondContact O-CB 3.45Å; N968-A971 PolarHBondContact O-N 2.89Å; N968-A971 VanDerWaalsContact O-N 3.16Å
969P96.7Very high95.9Very high47 Ų4744.7 Ų44.731%0.30525%0.253SS..G310 helixtrans-57.6-29177.722.3-34.7000113.9I782 A783 A971 I972 P973I782-P969 HydrophobicContact CG2-CB 3.97Å; A783-P969 VanDerWaalsContact C-CD 3.43Å; P969-A971 PolarHBondContact O-N 2.93Å; P969-A971 VanDerWaalsContact O-N 3.11Å; P969-I972 PolarHBondContact O-N 2.74Å; P969-I972 VanDerWaalsContact O-N 3.08Å; P969-P973 WeakPolarHBondContact O-CD 3.24Å
970H95.9Very high96.1Very high143 Ų14338.7 Ų38.766%0.66223%0.225SC*.G310 helixtrans-65.2-14.3179.9-67.8-63.1000114N968 I972N968-H970 PolarHBondContact O-N 2.99Å; N968-H970 WeakPolarHBondContact OD1-CB 3.45Å; N968-H970 PolarHBondContact OD1-CD2 3.43Å; N968-H970 PolarHBondContact OD1-N 3.31Å; H970-I972 PolarHBondContact O-N 3.42Å
971A94.2Very high96.3Very high18 Ų1839.5 Ų39.515%0.14922%0.221CC..G310 helixtrans-69.8-17.2173.100000113.3N968 P969 R975N968-A971 WeakPolarHBondContact O-CB 3.45Å; N968-A971 PolarHBondContact O-N 2.89Å; N968-A971 VanDerWaalsContact O-N 3.16Å; P969-A971 PolarHBondContact O-N 2.93Å; P969-A971 VanDerWaalsContact O-N 3.11Å; A971-R975 VanDerWaalsContact O-CB 3.29Å; A971-R975 WeakPolarHBondContact O-CB 3.38Å; A971-R975 WeakPolarHBondContact O-CD 3.37Å; A971-R975 WeakPolarHBondContact O-CG 3.41Å
972I94.8Very high96.2Very high23 Ų2336.9 Ų36.912%0.11821%0.207CC..THydrogen-bonded Turntrans-87.9-53.7-175.1-51.1-61.7000113.1Q941 P969 H970 S974 R975 M976 L981Q941-I972 VanDerWaalsContact NE2-CD1 3.3Å; P969-I972 PolarHBondContact O-N 2.74Å; P969-I972 VanDerWaalsContact O-N 3.08Å; H970-I972 PolarHBondContact O-N 3.42Å; I972-S974 PolarHBondContact O-N 3.34Å; I972-R975 PolarHBondContact O-N 2.97Å; I972-R975 VanDerWaalsContact O-N 3.14Å; I972-M976 PolarHBondContact O-N 3.2Å; I972-L981 HydrophobicContact CD1-CD2 4.34Å; I972-L981 HydrophobicContact CG1-CD2 4.44Å; I972-L981 HydrophobicContact CG2-CD1 4.16Å
973P95.1Very high96.2Very high95 Ų9536.1 Ų36.162%0.61720%0.203SC*.THydrogen-bonded Turntrans-61.8-42.9-167.9-25.534.9000114.3P969 R975 M976P969-P973 WeakPolarHBondContact O-CD 3.24Å; P973-R975 VanDerWaalsContact C-N 3.31Å; P973-R975 PolarHBondContact O-N 2.97Å; P973-M976 WeakPolarHBondContact O-CG 3.39Å
974S92.5Very high96.1Very high93 Ų9336.2 Ų36.265%0.6520%0.203SC*.THydrogen-bonded Turntrans-76.3-19.7-179.261.50000113.4I972I972-S974 PolarHBondContact O-N 3.34Å
975R92.6Very high96.1Very high33 Ų3335.2 Ų35.213%0.12520%0.198CC..THydrogen-bonded Turntrans-102.6-19.8-176.1-57.2-165.1165.6165.3-3.4113.3D792 A971 I972 P973 T977D792-R975 IonicContact OD1-CZ 3.74Å; D792-R975 IonicContact OD1-NH1 2.65Å; D792-R975 PolarHBondContact OD1-NH1 3.35Å; D792-R975 IonicContact OD1-NH2 3.9Å; D792-R975 PolarHBondContact OD1-NH2 3.5Å; D792-R975 IonicContact OD2-CZ 3.72Å; D792-R975 IonicContact OD2-NH1 3.67Å; D792-R975 IonicContact OD2-NH2 2.82Å; D792-R975 PolarHBondContact OD2-NH2 3.27Å; A971-R975 VanDerWaalsContact O-CB 3.29Å; A971-R975 WeakPolarHBondContact O-CB 3.38Å; A971-R975 WeakPolarHBondContact O-CD 3.37Å; A971-R975 WeakPolarHBondContact O-CG 3.41Å; I972-R975 PolarHBondContact O-N 2.97Å; I972-R975 VanDerWaalsContact O-N 3.14Å; P973-R975 VanDerWaalsContact C-N 3.31Å; P973-R975 PolarHBondContact O-N 2.97Å; R975-T977 HydrophobicContact CB-CG2 4.11Å; R975-T977 PolarHBondContact O-N 3.4Å
976M95.9Very high96Very high117 Ų11735.8 Ų35.858%0.57620%0.2SC*.THydrogen-bonded Turntrans49.841.2179.3-57.1178.168.500112.6I972 P973 V978I972-M976 PolarHBondContact O-N 3.2Å; P973-M976 WeakPolarHBondContact O-CG 3.39Å; M976-V978 VanDerWaalsContact C-N 3.29Å; M976-V978 PolarHBondContact O-N 3.29Å; M976-V978 VanDerWaalsContact O-N 3.13Å
977T94.7Very high95.9Very high0 Ų035.8 Ų35.80%020%0.2CC..BIsolated β-bridgetrans-86.669.6176.552.40000109.7R721 H939 Q941 R975 G979 H980R721-T977 HydrophobicContact CB-CG2 4.08Å; R721-T977 HydrophobicContact CG-CG2 3.68Å; H939-T977 HydrophobicContact CB-CG2 4.33Å; Q941-T977 HydrophobicContact CG-CG2 4.37Å; Q941-T977 PolarHBondContact NE2-OG1 2.77Å; R975-T977 HydrophobicContact CB-CG2 4.11Å; R975-T977 PolarHBondContact O-N 3.4Å; T977-G979 VanDerWaalsContact C-N 3.3Å; T977-H980 WeakPolarHBondContact O-CB 3.17Å; T977-H980 PolarHBondContact O-N 2.97Å
978V96.3Very high95.9Very high70 Ų7036 Ų3642%0.42420%0.201SC..Hα-helixtrans-69.1-33.2-178.4-1780000110.8M976 H980 L981 I982M976-V978 VanDerWaalsContact C-N 3.29Å; M976-V978 PolarHBondContact O-N 3.29Å; M976-V978 VanDerWaalsContact O-N 3.13Å; V978-H980 PolarHBondContact O-N 3.26Å; V978-H980 VanDerWaalsContact O-N 3.09Å; V978-L981 WeakPolarHBondContact O-CB 3.47Å; V978-L981 PolarHBondContact O-N 3.46Å; V978-I982 HydrophobicContact CG1-CD1 4.15Å; V978-I982 HydrophobicContact CG1-CG1 4.34Å; V978-I982 PolarHBondContact O-N 3.39Å; V978-I982 VanDerWaalsContact O-N 3.12Å
979G95.6Very high95.8Very high0 Ų035.6 Ų35.60%020%0.199CC..Hα-helixtrans-52.7-32.6173.800000113.4H716 N717 H939 T977 L981 I982 E983H716-G979 PolarHBondContact O-N 2.89Å; N717-G979 WeakPolarHBondContact OD1-CA 3.43Å; N717-G979 PolarHBondContact OD1-N 2.7Å; H939-G979 PolarHBondContact CE1-O 3.13Å; T977-G979 VanDerWaalsContact C-N 3.3Å; G979-L981 PolarHBondContact O-N 2.66Å; G979-I982 PolarHBondContact O-N 2.99Å; G979-E983 WeakPolarHBondContact O-CB 2.93Å; G979-E983 PolarHBondContact O-N 2.91Å
980H97.4Very high95.8Very high0 Ų033.4 Ų33.40%019%0.185CC..Hα-helixtrans-65-38.2175.7-174.864.6000112.8H939 I967 T977 V978 C984H939-H980 HydrophobicContact CB-CB 4.09Å; H939-H980 VanDerWaalsContact CD2-CA 3.48Å; H939-H980 WeakPolarHBondContact CD2-CA 3.44Å; H939-H980 AromaticContact CD2-ND1 3.65Å; H939-H980 PolarHBondContact CE1-N 3.37Å; H939-H980 WeakPolarHBondContact NE2-CA 3.44Å; I967-H980 WeakPolarHBondContact CD1-NE2 3.25Å; T977-H980 WeakPolarHBondContact O-CB 3.17Å; T977-H980 PolarHBondContact O-N 2.97Å; V978-H980 PolarHBondContact O-N 3.26Å; V978-H980 VanDerWaalsContact O-N 3.09Å; H980-C984 PolarHBondContact O-N 3.28Å; H980-C984 PolarHBondContact O-SG 3.24Å
981L96.9Very high95.8Very high54 Ų5429 Ų2928%0.28317%0.173SC..Hα-helixtrans-70.3-40.2176.4-57.7-179.8000111I782 I972 V978 G979 E983 C984 L985 F1042I782-L981 HydrophobicContact CD1-CD2 3.34Å; I972-L981 HydrophobicContact CD1-CD2 4.34Å; I972-L981 HydrophobicContact CG1-CD2 4.44Å; I972-L981 HydrophobicContact CG2-CD1 4.16Å; V978-L981 WeakPolarHBondContact O-CB 3.47Å; V978-L981 PolarHBondContact O-N 3.46Å; G979-L981 PolarHBondContact O-N 2.66Å; L981-E983 VanDerWaalsContact C-N 3.34Å; L981-C984 PolarHBondContact O-N 2.97Å; L981-L985 PolarHBondContact O-N 3.35Å; L981-L985 VanDerWaalsContact O-N 3.13Å; L981-F1042 HydrophobicContact CD2-CD1 4.41Å; L981-F1042 HydrophobicContact CD2-CE1 4.11Å; L981-F1042 WeakPolarHBondContact O-CZ 3.32Å
982I96.4Very high95.9Very high16 Ų1631.3 Ų31.38%0.08218%0.183CC..Hα-helixtrans-65.1-40.6176.9-57.7173.4000110F713 H716 V978 G979 C984 L985 Q986 V1008F713-I982 HydrophobicContact CD2-CB 4.18Å; F713-I982 HydrophobicContact CD2-CG2 3.74Å; F713-I982 HydrophobicContact CE1-CG2 4.44Å; F713-I982 HydrophobicContact CE2-CB 4.41Å; F713-I982 HydrophobicContact CE2-CG2 3.57Å; F713-I982 HydrophobicContact CG-CG2 4.26Å; F713-I982 HydrophobicContact CZ-CG2 3.95Å; H716-I982 HydrophobicContact CB-CD1 4.13Å; H716-I982 VanDerWaalsContact CD2-CD1 3.47Å; H716-I982 WeakPolarHBondContact CD2-CD1 3.4Å; V978-I982 HydrophobicContact CG1-CD1 4.15Å; V978-I982 HydrophobicContact CG1-CG1 4.34Å; V978-I982 PolarHBondContact O-N 3.39Å; V978-I982 VanDerWaalsContact O-N 3.12Å; G979-I982 PolarHBondContact O-N 2.99Å; I982-C984 VanDerWaalsContact C-N 3.35Å; I982-C984 PolarHBondContact O-N 3.19Å; I982-L985 PolarHBondContact O-N 3.31Å; I982-Q986 WeakPolarHBondContact O-CB 3.2Å; I982-Q986 PolarHBondContact O-N 3.03Å; I982-V1008 HydrophobicContact CD1-CG2 3.93Å; I982-V1008 HydrophobicContact CG1-CG2 4.08Å
983E97.4Very high96Very high2 Ų234.3 Ų34.31%0.00920%0.195CC..Hα-helixtrans-56.5-46.8174-171.5-168.9172.200111.2P712 V759 R938 H939 G979 L981 L985 G987 T1046 Y1047P712-E983 HydrophobicContact CG-CB 4.31Å; P712-E983 HydrophobicContact CG-CG 4Å; V759-E983 HydrophobicContact CB-CG 4.11Å; V759-E983 HydrophobicContact CG1-CG 4.27Å; V759-E983 HydrophobicContact CG2-CG 4.31Å; R938-E983 IonicContact CZ-OE1 2.74Å; R938-E983 IonicContact NE-OE1 3.87Å; R938-E983 PolarHBondContact NE-OE1 2.97Å; R938-E983 VanDerWaalsContact NH2-CD 3.33Å; R938-E983 IonicContact NH2-OE1 3.68Å; R938-E983 PolarHBondContact NH2-OE1 3.32Å; H939-E983 IonicContact CD2-OE2 2.84Å; H939-E983 PolarHBondContact CD2-OE2 3.33Å; H939-E983 VanDerWaalsContact CD2-OE2 3.31Å; H939-E983 IonicContact NE2-OE2 3.32Å; H939-E983 PolarHBondContact NE2-OE2 3.11Å; G979-E983 WeakPolarHBondContact O-CB 2.93Å; G979-E983 PolarHBondContact O-N 2.91Å; L981-E983 VanDerWaalsContact C-N 3.34Å; E983-L985 VanDerWaalsContact C-N 3.33Å; E983-L985 PolarHBondContact O-N 3.32Å; E983-G987 WeakPolarHBondContact O-CA 3.27Å; E983-G987 PolarHBondContact O-N 3.08Å; E983-T1046 VanDerWaalsContact CD-CG2 3.41Å; E983-T1046 HydrophobicContact CG-CG2 4.16Å; E983-T1046 WeakPolarHBondContact OE2-CG2 3.12Å; E983-Y1047 PolarHBondContact OE1-N 3.09Å
984C97.1Very high96Very high1 Ų133.2 Ų33.21%0.00720%0.202CC..Hα-helixtrans-60.4-42176.9-64.20000112.6H980 L981 I982 K988 F1042 T1046H980-C984 PolarHBondContact O-N 3.28Å; H980-C984 PolarHBondContact O-SG 3.24Å; L981-C984 PolarHBondContact O-N 2.97Å; I982-C984 VanDerWaalsContact C-N 3.35Å; I982-C984 PolarHBondContact O-N 3.19Å; C984-K988 PolarHBondContact O-N 2.89Å; C984-F1042 HydrophobicContact CB-CE1 3.46Å; C984-F1042 VanDerWaalsContact CB-CE1 3.46Å; C984-F1042 HydrophobicContact CB-CZ 3.76Å; C984-T1046 PolarHBondContact SG-OG1 3.4Å
985L96.8Very high96.1Very high11 Ų1132.6 Ų32.66%0.05819%0.188CC..Hα-helixtrans-70.3-49.6-177.5-166.672.7000111.1L981 I982 E983 G987 K988 V989 V1008 V1011 L1015L981-L985 PolarHBondContact O-N 3.35Å; L981-L985 VanDerWaalsContact O-N 3.13Å; I982-L985 PolarHBondContact O-N 3.31Å; E983-L985 VanDerWaalsContact C-N 3.33Å; E983-L985 PolarHBondContact O-N 3.32Å; L985-G987 VanDerWaalsContact C-N 3.29Å; L985-G987 PolarHBondContact O-N 2.82Å; L985-K988 PolarHBondContact O-N 3.32Å; L985-V989 PolarHBondContact O-N 2.92Å; L985-V989 VanDerWaalsContact O-N 3.14Å; L985-V1008 HydrophobicContact CD2-CG1 4.4Å; L985-V1011 HydrophobicContact CB-CG1 4.39Å; L985-V1011 HydrophobicContact CD2-CB 4.31Å; L985-V1011 HydrophobicContact CD2-CG1 3.89Å; L985-V1011 HydrophobicContact CG-CG1 3.79Å; L985-L1015 HydrophobicContact CD1-CD2 3.45Å; L985-L1015 VanDerWaalsContact CD1-CD2 3.45Å; L985-L1015 HydrophobicContact CG-CD2 4.43Å
986Q96.3Very high96.3Very high13 Ų1333.8 Ų33.86%0.06120%0.197CC..Hα-helixtrans-61.1-41.2175.6-178.95845.500110.6F713 V759 I982 K988 V989 S990F713-Q986 HydrophobicContact CE2-CB 4.47Å; V759-Q986 HydrophobicContact CG1-CB 4.37Å; V759-Q986 HydrophobicContact CG1-CG 4.02Å; V759-Q986 HydrophobicContact CG2-CB 4.07Å; V759-Q986 HydrophobicContact CG2-CG 3.91Å; I982-Q986 WeakPolarHBondContact O-CB 3.2Å; I982-Q986 PolarHBondContact O-N 3.03Å; Q986-K988 VanDerWaalsContact C-N 3.31Å; Q986-K988 PolarHBondContact O-N 3.13Å; Q986-V989 PolarHBondContact O-N 3.45Å; Q986-S990 PolarHBondContact NE2-OG 2.96Å; Q986-S990 VanDerWaalsContact NE2-OG 3.09Å; Q986-S990 VanDerWaalsContact O-CB 3.27Å; Q986-S990 WeakPolarHBondContact O-CB 3.41Å; Q986-S990 PolarHBondContact O-N 3.08Å; Q986-S990 PolarHBondContact O-OG 2.93Å
987G96.8Very high96.2Very high0 Ų028.3 Ų28.30%017%0.17CC..Hα-helixtrans-60.5-40.7177.200000112V759 E983 L985 S990 A991 P1045V759-G987 VanDerWaalsContact CG2-CA 3.41Å; V759-G987 VanDerWaalsContact CG2-N 3.33Å; E983-G987 WeakPolarHBondContact O-CA 3.27Å; E983-G987 PolarHBondContact O-N 3.08Å; L985-G987 VanDerWaalsContact C-N 3.29Å; L985-G987 PolarHBondContact O-N 2.82Å; G987-S990 PolarHBondContact O-N 3.34Å; G987-A991 WeakPolarHBondContact O-CB 3.06Å; G987-A991 PolarHBondContact O-N 3.27Å; G987-P1045 WeakPolarHBondContact O-CG 3.49Å
988K96.8Very high96.1Very high11 Ų1129.9 Ų29.95%0.04818%0.178CC..Hα-helixtrans-63.5-47.1176.7-172.2176.7-67.7-169.40111.5C984 L985 Q986 S990 A991 N992 L1015 Y1020 G1024 E1026 I1043C984-K988 PolarHBondContact O-N 2.89Å; L985-K988 PolarHBondContact O-N 3.32Å; Q986-K988 VanDerWaalsContact C-N 3.31Å; Q986-K988 PolarHBondContact O-N 3.13Å; K988-S990 VanDerWaalsContact C-N 3.34Å; K988-S990 PolarHBondContact O-N 2.83Å; K988-A991 PolarHBondContact O-N 3.12Å; K988-N992 WeakPolarHBondContact O-CB 3.32Å; K988-N992 PolarHBondContact O-N 2.91Å; K988-N992 VanDerWaalsContact O-N 3.1Å; K988-N992 PolarHBondContact O-ND2 3.18Å; K988-L1015 HydrophobicContact CB-CD1 4.46Å; K988-L1015 HydrophobicContact CD-CD1 3.7Å; K988-L1015 HydrophobicContact CD-CD2 4.13Å; K988-L1015 HydrophobicContact CG-CD1 3.83Å; K988-Y1020 HydrophobicContact CD-CD1 4.48Å; K988-G1024 PolarHBondContact NZ-O 2.73Å; K988-G1024 VanDerWaalsContact NZ-O 3.08Å; K988-E1026 IonicContact NZ-OE1 2.92Å; K988-E1026 PolarHBondContact NZ-OE1 3.28Å; K988-I1043 WeakPolarHBondContact CE-O 3.42Å; K988-I1043 PolarHBondContact NZ-O 3.4Å
989V96.6Very high96.1Very high0 Ų026.5 Ų26.50%016%0.158CC..Hα-helixtrans-60.5-46.1175.5174.70000110.8L985 Q986 A991 N992 K993 V1011 L1014 L1015L985-V989 PolarHBondContact O-N 2.92Å; L985-V989 VanDerWaalsContact O-N 3.14Å; Q986-V989 PolarHBondContact O-N 3.45Å; V989-A991 PolarHBondContact O-N 2.65Å; V989-N992 PolarHBondContact O-N 2.66Å; V989-K993 WeakPolarHBondContact O-CB 3.42Å; V989-K993 PolarHBondContact O-N 3.09Å; V989-V1011 HydrophobicContact CB-CG1 4.42Å; V989-V1011 HydrophobicContact CG2-CG1 3.74Å; V989-L1014 HydrophobicContact CG1-CB 4.03Å; V989-L1014 HydrophobicContact CG1-CD1 4.32Å; V989-L1015 HydrophobicContact CG2-CB 3.71Å; V989-L1015 HydrophobicContact CG2-CD1 4.05Å; V989-L1015 HydrophobicContact CG2-CG 4.38Å
990S96.3Very high96.1Very high1 Ų126.7 Ų26.71%0.00716%0.159CC..Hα-helixtrans-60.8-46.6-178.6-55.70000111.5Q986 G987 K988 N992 G994 E995 G997Q986-S990 PolarHBondContact NE2-OG 2.96Å; Q986-S990 VanDerWaalsContact NE2-OG 3.09Å; Q986-S990 VanDerWaalsContact O-CB 3.27Å; Q986-S990 WeakPolarHBondContact O-CB 3.41Å; Q986-S990 PolarHBondContact O-N 3.08Å; Q986-S990 PolarHBondContact O-OG 2.93Å; G987-S990 PolarHBondContact O-N 3.34Å; K988-S990 VanDerWaalsContact C-N 3.34Å; K988-S990 PolarHBondContact O-N 2.83Å; S990-N992 PolarHBondContact O-N 3.43Å; S990-G994 PolarHBondContact O-N 3.27Å; S990-E995 CarbonylContact C-O 3.52Å; S990-E995 WeakPolarHBondContact CA-O 3.42Å; S990-E995 WeakPolarHBondContact CB-O 3.49Å; S990-E995 PolarHBondContact O-N 3.48Å; S990-G997 VanDerWaalsContact OG-CA 3.27Å; S990-G997 WeakPolarHBondContact OG-CA 3.26Å; S990-G997 PolarHBondContact OG-N 3.33Å
991A96.7Very high95.9Very high52 Ų5226.8 Ų26.843%0.4316%0.16SC..Hα-helixtrans-63.4-40.9177.700000112.9L758 G987 K988 V989 P1045L758-A991 HydrophobicContact CD1-CB 4.21Å; G987-A991 WeakPolarHBondContact O-CB 3.06Å; G987-A991 PolarHBondContact O-N 3.27Å; K988-A991 PolarHBondContact O-N 3.12Å; V989-A991 PolarHBondContact O-N 2.65Å; A991-P1045 HydrophobicContact CB-CG 4.43Å
992N96.2Very high95.6Very high65 Ų6529 Ų2935%0.34817%0.167SC..Hα-helixtrans-76.7-38.1-179.2-73.9-27.6000113.1K988 V989 S990 G994 Y1018 Y1020K988-N992 WeakPolarHBondContact O-CB 3.32Å; K988-N992 PolarHBondContact O-N 2.91Å; K988-N992 VanDerWaalsContact O-N 3.1Å; K988-N992 PolarHBondContact O-ND2 3.18Å; V989-N992 PolarHBondContact O-N 2.66Å; S990-N992 PolarHBondContact O-N 3.43Å; N992-G994 VanDerWaalsContact C-N 3.33Å; N992-Y1018 HydrophobicContact CB-CG 4.43Å; N992-Y1020 WeakPolarHBondContact ND2-CE2 3.44Å
993K96.3Very high95Very high86 Ų8629.2 Ų29.237%0.37417%0.169SC..Hα-helixtrans-74.5-24.3177-177.3163.9172.2-154.50112.5V989 E995 Y1018V989-K993 WeakPolarHBondContact O-CB 3.42Å; V989-K993 PolarHBondContact O-N 3.09Å; K993-E995 HydrophobicContact CB-CG 4.29Å; K993-E995 VanDerWaalsContact CD-CD 3.44Å; K993-E995 HydrophobicContact CD-CG 4.01Å; K993-E995 VanDerWaalsContact CD-OE1 3.24Å; K993-E995 WeakPolarHBondContact CD-OE1 3.39Å; K993-E995 VanDerWaalsContact CE-OE1 3.29Å; K993-E995 WeakPolarHBondContact CE-OE1 3.37Å; K993-E995 WeakPolarHBondContact CE-OE2 3.33Å; K993-E995 HydrophobicContact CG-CG 3.98Å; K993-E995 IonicContact NZ-OE1 2.57Å; K993-E995 PolarHBondContact NZ-OE1 2.82Å; K993-E995 IonicContact NZ-OE2 3.26Å; K993-E995 PolarHBondContact NZ-OE2 3.15Å; K993-Y1018 HydrophobicContact CB-CE2 4.05Å; K993-Y1018 WeakPolarHBondContact CB-OH 3.46Å; K993-Y1018 WeakPolarHBondContact CG-OH 3.44Å
994G94.7Very high93.8Very high73 Ų7336.4 Ų36.475%0.75321%0.207SC*.THydrogen-bonded Turntrans83.316.8-177.900000114.2S990 N992S990-G994 PolarHBondContact O-N 3.27Å; N992-G994 VanDerWaalsContact C-N 3.33Å
995E94.9Very high92.5Very high80 Ų8038.3 Ų38.337%0.37422%0.223SC..SBendtrans-113.4161.3176.672-177.5-175.400111.4S990 K993S990-E995 CarbonylContact C-O 3.52Å; S990-E995 WeakPolarHBondContact CA-O 3.42Å; S990-E995 WeakPolarHBondContact CB-O 3.49Å; S990-E995 PolarHBondContact O-N 3.48Å; K993-E995 HydrophobicContact CB-CG 4.29Å; K993-E995 VanDerWaalsContact CD-CD 3.44Å; K993-E995 HydrophobicContact CD-CG 4.01Å; K993-E995 VanDerWaalsContact CD-OE1 3.24Å; K993-E995 WeakPolarHBondContact CD-OE1 3.39Å; K993-E995 VanDerWaalsContact CE-OE1 3.29Å; K993-E995 WeakPolarHBondContact CE-OE1 3.37Å; K993-E995 WeakPolarHBondContact CE-OE2 3.33Å; K993-E995 HydrophobicContact CG-CG 3.98Å; K993-E995 IonicContact NZ-OE1 2.57Å; K993-E995 PolarHBondContact NZ-OE1 2.82Å; K993-E995 IonicContact NZ-OE2 3.26Å; K993-E995 PolarHBondContact NZ-OE2 3.15Å
996I95.8Very high91.5Very high58 Ų5839.7 Ų39.730%0.29723%0.232SC..PPolyproline II helixtrans-86.7128.2171.8-59.3-60.9000108.1L758 T760L758-I996 HydrophobicContact CD2-CD1 4.48Å; L758-I996 WeakPolarHBondContact O-CG2 3.36Å; T760-I996 HydrophobicContact CG2-CG2 3.45Å; T760-I996 VanDerWaalsContact CG2-CG2 3.45Å
997G93.5Very high90.9Very high2 Ų243 Ų432%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-77.1136.3-17900000112.6L758 T760 S990L758-G997 PolarHBondContact O-N 2.98Å; T760-G997 PolarHBondContact N-O 3.13Å; S990-G997 VanDerWaalsContact OG-CA 3.27Å; S990-G997 WeakPolarHBondContact OG-CA 3.26Å; S990-G997 PolarHBondContact OG-N 3.33Å
998D94.3Very high90.6Very high32 Ų3245.8 Ų45.817%0.17127%0.267CS..EExtended strand (participates in β ladder)trans-81.5129171.6-167.4-5.4000110.5R762 T1000R762-D998 IonicContact CZ-OD2 3.77Å; R762-D998 IonicContact NE-OD2 3.69Å; R762-D998 PolarHBondContact NE-OD2 2.56Å; R762-D998 VanDerWaalsContact NE-OD2 3.1Å; R762-D998 IonicContact NH2-OD2 2.69Å; D998-T1000 WeakPolarHBondContact OD1-CB 3.42Å; D998-T1000 PolarHBondContact OD1-N 2.75Å; D998-T1000 PolarHBondContact OD1-OG1 3.19Å
999A95.7Very high90.4Very high0 Ų049.5 Ų49.50%029%0.285CS..  trans-131.324.6176.900000113.2P712 F713 V759 T760P712-A999 HydrophobicContact CB-CB 3.54Å; F713-A999 HydrophobicContact CD1-CB 4.26Å; F713-A999 HydrophobicContact CD2-CB 3.75Å; F713-A999 HydrophobicContact CE1-CB 3.92Å; F713-A999 HydrophobicContact CE2-CB 3.35Å; F713-A999 HydrophobicContact CG-CB 4.19Å; F713-A999 VanDerWaalsContact CZ-CA 3.5Å; F713-A999 HydrophobicContact CZ-CB 3.45Å; F713-A999 VanDerWaalsContact CZ-CB 3.45Å; F713-A999 PolarHBondContact N-O 3.43Å; F713-A999 VanDerWaalsContact N-O 3.11Å; V759-A999 HydrophobicContact CG1-CB 3.37Å; T760-A999 PolarHBondContact O-N 3.01Å
1000T95.2Very high90.2Very high3 Ų354.7 Ų54.72%0.01831%0.307CS..  trans-55.6132.9172.9-60.50000110.3W27 R762 D998W27-T1000 HydrophobicContact CH2-CG2 4.19Å; W27-T1000 HydrophobicContact CZ2-CG2 3.56Å; R762-T1000 PolarHBondContact N-OG1 3.42Å; R762-T1000 VanDerWaalsContact N-OG1 3.09Å; D998-T1000 WeakPolarHBondContact OD1-CB 3.42Å; D998-T1000 PolarHBondContact OD1-N 2.75Å; D998-T1000 PolarHBondContact OD1-OG1 3.19Å
1001P94Very high90Very high3 Ų354.9 Ų54.92%0.01931%0.308CS..SBendtrans-66.9154.3177.926.9-33.3000111.9L704 P714 N1003L704-P1001 HydrophobicContact CD1-CG 4.05Å; P714-P1001 HydrophobicContact CG-CB 3.78Å; P714-P1001 HydrophobicContact CG-CG 4.03Å; P1001-N1003 VanDerWaalsContact C-N 3.32Å; P1001-N1003 PolarHBondContact O-N 3.37Å
1002F90.8Very high89.9Confident99 Ų9952.4 Ų52.443%0.43429%0.288SS..SBendtrans6039.9177.4-41.2-68.5000113.3P700 I703 D715P700-F1002 HydrophobicContact CB-CB 4.38Å; P700-F1002 HydrophobicContact CB-CD2 3.7Å; P700-F1002 HydrophobicContact CB-CE2 4.26Å; P700-F1002 HydrophobicContact CB-CG 4.2Å; I703-F1002 HydrophobicContact CD1-CE2 4.42Å; D715-F1002 HydrophobicContact CB-CD1 4.48Å; D715-F1002 HydrophobicContact CB-CE1 4.12Å; D715-F1002 PolarHBondContact OD2-N 3.28Å; D715-F1002 VanDerWaalsContact OD2-N 3.12Å
1003N82.7Confident89.9Confident22 Ų2253.1 Ų53.112%0.11829%0.292CS..  trans-110.3120.6174.2-172.7-0.9000110.6Q23 P1001 A1005Q23-N1003 PolarHBondContact NE2-OD1 3Å; Q23-N1003 PolarHBondContact OE1-OD1 2.86Å; P1001-N1003 VanDerWaalsContact C-N 3.32Å; P1001-N1003 PolarHBondContact O-N 3.37Å; N1003-A1005 VanDerWaalsContact C-N 3.34Å; N1003-A1005 WeakPolarHBondContact OD1-CB 2.97Å; N1003-A1005 PolarHBondContact OD1-N 3.46Å
1004D73Confident89.8Confident152 Ų15251.1 Ų51.181%0.81329%0.285SS*.THydrogen-bonded Turntrans-79.7-16.7176-64.5-39.8000113.3V1006D1004-V1006 VanDerWaalsContact C-N 3.27Å; D1004-V1006 PolarHBondContact O-N 2.72Å
1005A68.8Low89.8Confident42 Ų4247.6 Ų47.635%0.34725%0.249SC..THydrogen-bonded Turntrans-71.4-19.1-177.400000113.7N1003 K1010N1003-A1005 VanDerWaalsContact C-N 3.34Å; N1003-A1005 WeakPolarHBondContact OD1-CB 2.97Å; N1003-A1005 PolarHBondContact OD1-N 3.46Å; A1005-K1010 VanDerWaalsContact O-CD 3.31Å; A1005-K1010 WeakPolarHBondContact O-CD 3.37Å; A1005-K1010 PolarHBondContact O-NZ 2.85Å
1006V75.7Confident89.9Confident40 Ų4046.8 Ų46.824%0.24225%0.252CS..  trans-124.292.8-178.9-175.70000109.8F713 D1004 V1011F713-V1006 HydrophobicContact CZ-CG1 4.49Å; D1004-V1006 VanDerWaalsContact C-N 3.27Å; D1004-V1006 PolarHBondContact O-N 2.72Å; V1006-V1011 HydrophobicContact CG1-CG2 4Å
1007N84Confident89.9Confident82 Ų8250.9 Ų50.944%0.43927%0.27SS..  trans-104.6158.617267.636.5000111.4Q1009 K1010 V1011N1007-Q1009 PolarHBondContact O-N 3.33Å; N1007-Q1009 VanDerWaalsContact O-N 3.12Å; N1007-Q1009 PolarHBondContact OD1-N 2.82Å; N1007-K1010 PolarHBondContact O-N 3.08Å; N1007-K1010 VanDerWaalsContact O-N 3.17Å; N1007-K1010 VanDerWaalsContact OD1-CB 3.25Å; N1007-K1010 WeakPolarHBondContact OD1-CB 3.37Å; N1007-K1010 PolarHBondContact OD1-N 2.89Å; N1007-V1011 WeakPolarHBondContact O-CG2 3.48Å; N1007-V1011 PolarHBondContact O-N 2.9Å
1008V90.6Very high90Very high59 Ų5955.6 Ų55.636%0.35829%0.288SS..Hα-helixtrans-56.2-32.7-179.8178.70000111.8I982 L985 S1012I982-V1008 HydrophobicContact CD1-CG2 3.93Å; I982-V1008 HydrophobicContact CG1-CG2 4.08Å; L985-V1008 HydrophobicContact CD2-CG1 4.4Å; V1008-S1012 WeakPolarHBondContact O-CB 3.41Å; V1008-S1012 PolarHBondContact O-N 3.44Å; V1008-S1012 PolarHBondContact O-OG 3.2Å
1009Q92.9Very high90Very high89 Ų8957.5 Ų57.542%0.41631%0.314SS..Hα-helixtrans-69.7-41-178.5-16858.536.600112.4N1007 S1012 N1013N1007-Q1009 PolarHBondContact O-N 3.33Å; N1007-Q1009 VanDerWaalsContact O-N 3.12Å; N1007-Q1009 PolarHBondContact OD1-N 2.82Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.49Å; Q1009-S1012 PolarHBondContact O-N 3.28Å; Q1009-N1013 PolarHBondContact NE2-OD1 3.17Å; Q1009-N1013 VanDerWaalsContact NE2-OD1 3.08Å; Q1009-N1013 VanDerWaalsContact O-CG 3.22Å; Q1009-N1013 PolarHBondContact O-N 3.36Å; Q1009-N1013 PolarHBondContact O-OD1 3.41Å
1010K91.8Very high90Very high109 Ų10959.9 Ų59.947%0.47432%0.324SS..Hα-helixtrans-63.9-45.4176.3-172.8175.1179.5179.40110.5A1005 N1007 S1012 N1013 L1014A1005-K1010 VanDerWaalsContact O-CD 3.31Å; A1005-K1010 WeakPolarHBondContact O-CD 3.37Å; A1005-K1010 PolarHBondContact O-NZ 2.85Å; N1007-K1010 PolarHBondContact O-N 3.08Å; N1007-K1010 VanDerWaalsContact O-N 3.17Å; N1007-K1010 VanDerWaalsContact OD1-CB 3.25Å; N1007-K1010 WeakPolarHBondContact OD1-CB 3.37Å; N1007-K1010 PolarHBondContact OD1-N 2.89Å; K1010-S1012 VanDerWaalsContact C-N 3.32Å; K1010-S1012 PolarHBondContact O-N 2.88Å; K1010-N1013 PolarHBondContact O-N 2.97Å; K1010-L1014 HydrophobicContact CG-CD1 4.49Å; K1010-L1014 WeakPolarHBondContact O-CG 2.91Å; K1010-L1014 PolarHBondContact O-N 2.9Å
1011V93.1Very high90Very high4 Ų464.5 Ų64.52%0.02435%0.345CS..Hα-helixtrans-60.9-42.6174.4-175.40000111L985 V989 V1006 N1007 L1014 L1015L985-V1011 HydrophobicContact CB-CG1 4.39Å; L985-V1011 HydrophobicContact CD2-CB 4.31Å; L985-V1011 HydrophobicContact CD2-CG1 3.89Å; L985-V1011 HydrophobicContact CG-CG1 3.79Å; V989-V1011 HydrophobicContact CB-CG1 4.42Å; V989-V1011 HydrophobicContact CG2-CG1 3.74Å; V1006-V1011 HydrophobicContact CG1-CG2 4Å; N1007-V1011 WeakPolarHBondContact O-CG2 3.48Å; N1007-V1011 PolarHBondContact O-N 2.9Å; V1011-L1014 PolarHBondContact O-N 2.87Å; V1011-L1015 WeakPolarHBondContact O-CB 3.21Å; V1011-L1015 PolarHBondContact O-N 2.77Å
1012S94.5Very high90.1Very high0 Ų067.2 Ų67.20%036%0.359CS..Hα-helixtrans-62.3-41.5176.5-82.50000113.5V1008 Q1009 K1010 L1015 S1016 L1022 R1023V1008-S1012 WeakPolarHBondContact O-CB 3.41Å; V1008-S1012 PolarHBondContact O-N 3.44Å; V1008-S1012 PolarHBondContact O-OG 3.2Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.49Å; Q1009-S1012 PolarHBondContact O-N 3.28Å; K1010-S1012 VanDerWaalsContact C-N 3.32Å; K1010-S1012 PolarHBondContact O-N 2.88Å; S1012-L1015 PolarHBondContact O-N 3.17Å; S1012-S1016 PolarHBondContact O-N 3.2Å; S1012-S1016 VanDerWaalsContact O-N 3.13Å; S1012-L1022 VanDerWaalsContact CA-O 3.25Å; S1012-L1022 WeakPolarHBondContact CA-O 3.21Å; S1012-L1022 WeakPolarHBondContact CB-O 3.43Å; S1012-L1022 PolarHBondContact OG-O 3.01Å; S1012-R1023 PolarHBondContact OG-NH1 2.82Å
1013N95.6Very high90.3Very high81 Ų8167.6 Ų67.643%0.43336%0.358SS..Hα-helixtrans-66.1-47.6178.2-68.1-7.1000110.8Q1009 K1010 L1015 S1016 E1017Q1009-N1013 PolarHBondContact NE2-OD1 3.17Å; Q1009-N1013 VanDerWaalsContact NE2-OD1 3.08Å; Q1009-N1013 VanDerWaalsContact O-CG 3.22Å; Q1009-N1013 PolarHBondContact O-N 3.36Å; Q1009-N1013 PolarHBondContact O-OD1 3.41Å; K1010-N1013 PolarHBondContact O-N 2.97Å; N1013-L1015 VanDerWaalsContact C-N 3.29Å; N1013-L1015 PolarHBondContact O-N 2.89Å; N1013-S1016 WeakPolarHBondContact O-CB 3.47Å; N1013-S1016 PolarHBondContact O-N 2.93Å; N1013-E1017 PolarHBondContact O-N 3.03Å; N1013-E1017 VanDerWaalsContact O-N 3.08Å
1014L94.7Very high90.9Very high43 Ų4366.6 Ų66.623%0.22535%0.353CS..Hα-helixtrans-57.3-42.3175.5-70.9171.8000111.6V989 K1010 V1011 S1016 E1017 Y1018V989-L1014 HydrophobicContact CG1-CB 4.03Å; V989-L1014 HydrophobicContact CG1-CD1 4.32Å; K1010-L1014 HydrophobicContact CG-CD1 4.49Å; K1010-L1014 WeakPolarHBondContact O-CG 2.91Å; K1010-L1014 PolarHBondContact O-N 2.9Å; V1011-L1014 PolarHBondContact O-N 2.87Å; L1014-S1016 VanDerWaalsContact C-N 3.28Å; L1014-S1016 PolarHBondContact O-N 2.82Å; L1014-E1017 WeakPolarHBondContact O-CB 3.41Å; L1014-E1017 PolarHBondContact O-N 2.84Å; L1014-Y1018 WeakPolarHBondContact O-CD2 3.49Å; L1014-Y1018 PolarHBondContact O-N 3.12Å
1015L95Very high92Very high0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-64.1-35.4178.2-173.759.6000112.6L985 K988 V989 V1011 S1012 N1013 Y1018 Y1020 H1021L985-L1015 HydrophobicContact CD1-CD2 3.45Å; L985-L1015 VanDerWaalsContact CD1-CD2 3.45Å; L985-L1015 HydrophobicContact CG-CD2 4.43Å; K988-L1015 HydrophobicContact CB-CD1 4.46Å; K988-L1015 HydrophobicContact CD-CD1 3.7Å; K988-L1015 HydrophobicContact CD-CD2 4.13Å; K988-L1015 HydrophobicContact CG-CD1 3.83Å; V989-L1015 HydrophobicContact CG2-CB 3.71Å; V989-L1015 HydrophobicContact CG2-CD1 4.05Å; V989-L1015 HydrophobicContact CG2-CG 4.38Å; V1011-L1015 WeakPolarHBondContact O-CB 3.21Å; V1011-L1015 PolarHBondContact O-N 2.77Å; S1012-L1015 PolarHBondContact O-N 3.17Å; N1013-L1015 VanDerWaalsContact C-N 3.29Å; N1013-L1015 PolarHBondContact O-N 2.89Å; L1015-Y1018 PolarHBondContact O-N 3.39Å; L1015-Y1020 HydrophobicContact CD1-CD2 4.05Å; L1015-Y1020 HydrophobicContact CD1-CG 4.08Å; L1015-Y1020 PolarHBondContact O-N 3.34Å; L1015-H1021 WeakPolarHBondContact CD2-O 3.41Å
1016S95.8Very high93.4Very high63 Ų6361.5 Ų61.544%0.44132%0.318SS..Hα-helixtrans-68-34.7176.2-167.50000112.4S1012 N1013 L1014 Y1018 G1019S1012-S1016 PolarHBondContact O-N 3.2Å; S1012-S1016 VanDerWaalsContact O-N 3.13Å; N1013-S1016 WeakPolarHBondContact O-CB 3.47Å; N1013-S1016 PolarHBondContact O-N 2.93Å; L1014-S1016 VanDerWaalsContact C-N 3.28Å; L1014-S1016 PolarHBondContact O-N 2.82Å; S1016-Y1018 PolarHBondContact O-N 3.14Å; S1016-G1019 PolarHBondContact O-N 2.85Å
1017E96Very high94.5Very high144 Ų14462.4 Ų62.467%0.67332%0.324SS*.Hα-helixtrans-61.6-32.9175.5-69169.1-16800111.7N1013 L1014 G1019N1013-E1017 PolarHBondContact O-N 3.03Å; N1013-E1017 VanDerWaalsContact O-N 3.08Å; L1014-E1017 WeakPolarHBondContact O-CB 3.41Å; L1014-E1017 PolarHBondContact O-N 2.84Å; E1017-G1019 PolarHBondContact O-N 2.95Å
1018Y95.1Very high95.1Very high101 Ų10158.6 Ų58.640%0.39630%0.303SS..THydrogen-bonded Turntrans-81.17.9174.1-71.6-72.9000114.4N992 K993 L1014 L1015 S1016 Y1020N992-Y1018 HydrophobicContact CB-CG 4.43Å; K993-Y1018 HydrophobicContact CB-CE2 4.05Å; K993-Y1018 WeakPolarHBondContact CB-OH 3.46Å; K993-Y1018 WeakPolarHBondContact CG-OH 3.44Å; L1014-Y1018 WeakPolarHBondContact O-CD2 3.49Å; L1014-Y1018 PolarHBondContact O-N 3.12Å; L1015-Y1018 PolarHBondContact O-N 3.39Å; S1016-Y1018 PolarHBondContact O-N 3.14Å; Y1018-Y1020 WeakPolarHBondContact O-CD2 3.03Å
1019G94.7Very high95.5Very high71 Ų7157.8 Ų57.873%0.73229%0.294SS*.THydrogen-bonded Turntrans8111.617400000115.6S1016 E1017S1016-G1019 PolarHBondContact O-N 2.85Å; E1017-G1019 PolarHBondContact O-N 2.95Å
1020Y95.7Very high95.7Very high51 Ų5155.2 Ų55.220%0.228%0.283CS..SBendtrans-93.9164.4172.5-68.8-89.6000111.2K988 N992 L1015 Y1018 L1022 E1026K988-Y1020 HydrophobicContact CD-CD1 4.48Å; N992-Y1020 WeakPolarHBondContact ND2-CE2 3.44Å; L1015-Y1020 HydrophobicContact CD1-CD2 4.05Å; L1015-Y1020 HydrophobicContact CD1-CG 4.08Å; L1015-Y1020 PolarHBondContact O-N 3.34Å; Y1018-Y1020 WeakPolarHBondContact O-CD2 3.03Å; Y1020-L1022 PolarHBondContact O-N 2.92Å; Y1020-E1026 WeakPolarHBondContact CD1-OE1 3.49Å
1021H96.6Very high95.9Very high99 Ų9951 Ų5146%0.45827%0.27SS..  trans-63.9128.9169.9-172.7-89.3000110L1015 R1023 G1024 N1025L1015-H1021 WeakPolarHBondContact CD2-O 3.41Å; H1021-R1023 PolarHBondContact ND1-N 3.12Å; H1021-R1023 PolarHBondContact O-N 3.28Å; H1021-G1024 PolarHBondContact O-N 2.91Å; H1021-N1025 WeakPolarHBondContact CB-O 3.47Å
1022L95.2Very high96Very high61 Ų6155.7 Ų55.732%0.31929%0.291SS..THydrogen-bonded Turntrans-53.2-23.7-173.168.5119.5000115.5S1012 Y1020S1012-L1022 VanDerWaalsContact CA-O 3.25Å; S1012-L1022 WeakPolarHBondContact CA-O 3.21Å; S1012-L1022 WeakPolarHBondContact CB-O 3.43Å; S1012-L1022 PolarHBondContact OG-O 3.01Å; Y1020-L1022 PolarHBondContact O-N 2.92Å
1023R94.8Very high96.1Very high107 Ų10760.4 Ų60.440%0.40432%0.32SS..THydrogen-bonded Turntrans-100.810.5178.1-57.8-58.7-174.7-164.60.1114.2S1012 H1021 N1025 F1042S1012-R1023 PolarHBondContact OG-NH1 2.82Å; H1021-R1023 PolarHBondContact ND1-N 3.12Å; H1021-R1023 PolarHBondContact O-N 3.28Å; R1023-N1025 VanDerWaalsContact C-N 3.31Å; R1023-N1025 PolarHBondContact O-N 3.3Å; R1023-F1042 WeakPolarHBondContact O-CD2 3.42Å; R1023-F1042 WeakPolarHBondContact O-CE2 3.44Å
1024G94.7Very high96.1Very high1 Ų158.5 Ų58.51%0.0132%0.319CS..SBendtrans80.1-0.3175.300000116.6K988 H1021K988-G1024 PolarHBondContact NZ-O 2.73Å; K988-G1024 VanDerWaalsContact NZ-O 3.08Å; H1021-G1024 PolarHBondContact O-N 2.91Å
1025N97.6Very high96.2Very high56 Ų5665.4 Ų65.430%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-74138.3176.1-68.1-26.1000112H1021 R1023 Q1040 I1041 F1042H1021-N1025 WeakPolarHBondContact CB-O 3.47Å; R1023-N1025 VanDerWaalsContact C-N 3.31Å; R1023-N1025 PolarHBondContact O-N 3.3Å; N1025-Q1040 HydrophobicContact CB-CB 4.01Å; N1025-I1041 WeakPolarHBondContact CA-O 3.17Å; N1025-F1042 WeakPolarHBondContact OD1-CB 3.47Å
1026E97.4Very high96.3Very high31 Ų3171.2 Ų71.215%0.14537%0.368CS..EExtended strand (participates in β ladder)trans-131.3156.6177.2-70.1178.4-150.200111.8T957 K988 Y1020 L1028 Q1040 I1041 I1043T957-E1026 VanDerWaalsContact CG2-OE2 3.22Å; T957-E1026 WeakPolarHBondContact CG2-OE2 3.18Å; K988-E1026 IonicContact NZ-OE1 2.92Å; K988-E1026 PolarHBondContact NZ-OE1 3.28Å; Y1020-E1026 WeakPolarHBondContact CD1-OE1 3.49Å; E1026-L1028 HydrophobicContact CB-CD1 3.87Å; E1026-L1028 PolarHBondContact O-N 2.99Å; E1026-Q1040 WeakPolarHBondContact O-CA 3.47Å; E1026-Q1040 WeakPolarHBondContact O-CB 3.42Å; E1026-I1041 PolarHBondContact N-O 3.48Å; E1026-I1041 PolarHBondContact O-N 3.41Å; E1026-I1043 HydrophobicContact CB-CG2 3.92Å; E1026-I1043 HydrophobicContact CG-CG2 4.01Å
1027V97.9Very high96.3Very high58 Ų5870.6 Ų70.635%0.35236%0.359SS..  trans-81.5113.6173.2-179.60000108.2K1036 Q1040V1027-K1036 HydrophobicContact CG1-CD 4.16Å; V1027-K1036 HydrophobicContact CG1-CG 4.28Å; V1027-Q1040 HydrophobicContact CG2-CG 4.23Å
1028L97.9Very high96.4Very high2 Ų270.2 Ų70.21%0.0137%0.367CS..  trans-104.4151.5174.6-83.865.8000110.8P955 F956 T957 E1026 L1037 I1041 I1043P955-L1028 HydrophobicContact CB-CD2 4.16Å; P955-L1028 HydrophobicContact CG-CD2 4.37Å; F956-L1028 CarbonylContact O-C 3.58Å; F956-L1028 VanDerWaalsContact O-CA 3.32Å; F956-L1028 WeakPolarHBondContact O-CA 3.22Å; T957-L1028 HydrophobicContact CG2-CD1 3.94Å; T957-L1028 HydrophobicContact CG2-CG 4.21Å; E1026-L1028 HydrophobicContact CB-CD1 3.87Å; E1026-L1028 PolarHBondContact O-N 2.99Å; L1028-L1037 HydrophobicContact CB-CD1 4.1Å; L1028-L1037 WeakPolarHBondContact O-CB 3.48Å; L1028-L1037 PolarHBondContact O-N 2.9Å; L1028-I1041 HydrophobicContact CB-CG1 4.26Å; L1028-I1041 HydrophobicContact CD1-CB 4.02Å; L1028-I1041 HydrophobicContact CD2-CB 4.02Å; L1028-I1041 HydrophobicContact CD2-CG1 4.21Å; L1028-I1041 HydrophobicContact CD2-CG2 4.16Å; L1028-I1041 HydrophobicContact CG-CB 4.44Å; L1028-I1043 HydrophobicContact CD1-CG2 4.36Å; L1028-I1043 HydrophobicContact CD2-CD1 4.45Å
1029Y97.9Very high96.5Very high43 Ų4369.3 Ų69.317%0.16938%0.375CS..BIsolated β-bridgetrans-108.4145.4176.2-58.2-103.9000109.2P955 F956 G1031 G1034 K1036P955-Y1029 WeakPolarHBondContact CA-O 3.36Å; P955-Y1029 WeakPolarHBondContact CB-O 3.49Å; F956-Y1029 HydrophobicContact CD2-CD2 4.27Å; F956-Y1029 HydrophobicContact CE2-CD2 4.02Å; F956-Y1029 AromaticContact CE2-CG 3.99Å; F956-Y1029 HydrophobicContact CE2-CG 3.99Å; F956-Y1029 HydrophobicContact CZ-CG 4.11Å; F956-Y1029 PolarHBondContact N-O 2.81Å; F956-Y1029 VanDerWaalsContact N-O 3.14Å; F956-Y1029 WeakPolarHBondContact O-CD2 3.04Å; F956-Y1029 PolarHBondContact O-N 2.96Å; Y1029-G1031 PolarHBondContact O-N 3.5Å; Y1029-G1034 WeakPolarHBondContact CD1-O 3.35Å; Y1029-K1036 HydrophobicContact CD1-CB 4.34Å; Y1029-K1036 HydrophobicContact CD1-CG 3.47Å; Y1029-K1036 VanDerWaalsContact CD1-CG 3.47Å; Y1029-K1036 HydrophobicContact CE1-CB 4.41Å; Y1029-K1036 HydrophobicContact CE1-CD 3.87Å; Y1029-K1036 HydrophobicContact CE1-CG 3.15Å; Y1029-K1036 HydrophobicContact CG-CG 4.38Å; Y1029-K1036 WeakPolarHBondContact OH-CE 3.48Å; Y1029-K1036 PolarHBondContact OH-NZ 3.31Å
1030N97.3Very high96.6Very high34 Ų3471.6 Ų71.618%0.18237%0.367CS..  trans-74.9123.6177.7-173-9000110.4Y785 F1032 T1033 G1034 R1035 L1037Y785-N1030 PolarHBondContact OH-OD1 3.32Å; N1030-F1032 PolarHBondContact O-N 2.87Å; N1030-F1032 VanDerWaalsContact OD1-CD2 3.28Å; N1030-F1032 WeakPolarHBondContact OD1-CD2 3.46Å; N1030-F1032 PolarHBondContact OD1-N 3.08Å; N1030-F1032 VanDerWaalsContact OD1-N 3.16Å; N1030-T1033 PolarHBondContact O-N 3.4Å; N1030-G1034 WeakPolarHBondContact O-CA 3.29Å; N1030-G1034 PolarHBondContact O-N 2.64Å; N1030-R1035 PolarHBondContact N-O 3.2Å; N1030-L1037 HydrophobicContact CB-CD2 4.01Å
1031G95.8Very high96.7Very high20 Ų2070 Ų7021%0.20636%0.362CS..THydrogen-bonded Turntrans-56.6-32.1178.100000113.9E952 Y1029E952-G1031 CarbonylContact O-C 3.43Å; E952-G1031 WeakPolarHBondContact O-CA 3.27Å; Y1029-G1031 PolarHBondContact O-N 3.5Å
1032F96.7Very high96.8Very high103 Ų10367 Ų6745%0.45235%0.347SS..THydrogen-bonded Turntrans-75.1-31.3-178-57.8-58.6000115Y785 T786 Y949 D953 N1030Y785-F1032 AromaticContact CE1-CE2 3.96Å; Y785-F1032 HydrophobicContact CE1-CE2 3.96Å; Y785-F1032 HydrophobicContact CE1-CZ 4.43Å; Y785-F1032 HydrophobicContact CE2-CE2 4.5Å; Y785-F1032 AromaticContact CZ-CE2 3.6Å; Y785-F1032 WeakPolarHBondContact OH-CD2 3.44Å; Y785-F1032 WeakPolarHBondContact OH-CE2 3.49Å; T786-F1032 HydrophobicContact CG2-CE2 3.71Å; T786-F1032 HydrophobicContact CG2-CZ 4.15Å; Y949-F1032 HydrophobicContact CE1-CZ 4.22Å; D953-F1032 HydrophobicContact CB-CD1 4.49Å; D953-F1032 HydrophobicContact CB-CE1 3.74Å; D953-F1032 HydrophobicContact CB-CZ 4.22Å; D953-F1032 WeakPolarHBondContact OD1-CE1 3.49Å; N1030-F1032 PolarHBondContact O-N 2.87Å; N1030-F1032 VanDerWaalsContact OD1-CD2 3.28Å; N1030-F1032 WeakPolarHBondContact OD1-CD2 3.46Å; N1030-F1032 PolarHBondContact OD1-N 3.08Å; N1030-F1032 VanDerWaalsContact OD1-N 3.16Å
1033T96.9Very high96.9Very high100 Ų10064.3 Ų64.361%0.61333%0.333SS*.THydrogen-bonded Turntrans-125.9-11.8-17158.10000113.8N1030 R1035N1030-T1033 PolarHBondContact O-N 3.4Å; T1033-R1035 PolarHBondContact O-N 3.19Å; T1033-R1035 VanDerWaalsContact O-N 3.16Å; T1033-R1035 PolarHBondContact OG1-N 3.39Å
1034G94Very high97Very high41 Ų4159.4 Ų59.442%0.42332%0.316SS..  trans69.1-0.6-170.900000114.3Y1029 N1030Y1029-G1034 WeakPolarHBondContact CD1-O 3.35Å; N1030-G1034 WeakPolarHBondContact O-CA 3.29Å; N1030-G1034 PolarHBondContact O-N 2.64Å
1035R96.7Very high97.2Very high188 Ų18859.9 Ų59.971%0.70932%0.319SS*.PPolyproline II helixtrans-73.7138.4179.6-168.9-179.6175.3179.3-0.1110.4N1030 T1033 L1037N1030-R1035 PolarHBondContact N-O 3.2Å; T1033-R1035 PolarHBondContact O-N 3.19Å; T1033-R1035 VanDerWaalsContact O-N 3.16Å; T1033-R1035 PolarHBondContact OG1-N 3.39Å; R1035-L1037 PolarHBondContact O-N 2.94Å
1036K97.4Very high97.2Very high122 Ų12257.3 Ų57.353%0.5331%0.305SS..BIsolated β-bridgetrans-54.7133.1168.6-68-177.1-170.7-160.50110.3V1027 Y1029V1027-K1036 HydrophobicContact CG1-CD 4.16Å; V1027-K1036 HydrophobicContact CG1-CG 4.28Å; Y1029-K1036 HydrophobicContact CD1-CB 4.34Å; Y1029-K1036 HydrophobicContact CD1-CG 3.47Å; Y1029-K1036 VanDerWaalsContact CD1-CG 3.47Å; Y1029-K1036 HydrophobicContact CE1-CB 4.41Å; Y1029-K1036 HydrophobicContact CE1-CD 3.87Å; Y1029-K1036 HydrophobicContact CE1-CG 3.15Å; Y1029-K1036 HydrophobicContact CG-CG 4.38Å; Y1029-K1036 WeakPolarHBondContact OH-CE 3.48Å; Y1029-K1036 PolarHBondContact OH-NZ 3.31Å
1037L96.4Very high97.3Very high50 Ų5055.9 Ų55.926%0.26230%0.298SS..PPolyproline II helixtrans-68.1139.1168.1-62.8177.1000108.9L1028 N1030 R1035 S1039 I1041L1028-L1037 HydrophobicContact CB-CD1 4.1Å; L1028-L1037 WeakPolarHBondContact O-CB 3.48Å; L1028-L1037 PolarHBondContact O-N 2.9Å; N1030-L1037 HydrophobicContact CB-CD2 4.01Å; R1035-L1037 PolarHBondContact O-N 2.94Å; L1037-S1039 VanDerWaalsContact C-N 3.34Å; L1037-S1039 PolarHBondContact O-N 2.95Å; L1037-I1041 HydrophobicContact CD1-CD1 4.44Å; L1037-I1041 HydrophobicContact CD1-CG1 4.09Å
1038T97.1Very high97.3Very high136 Ų13653.4 Ų53.483%0.83428%0.283SS*.SBendtrans-64.1-41.1-177.7-52.50000111.6
1039S97Very high97.3Very high82 Ų8253.3 Ų53.357%0.57328%0.282SS*.SBendtrans-89.6138.3175.3-55.30000110.3L1037L1037-S1039 VanDerWaalsContact C-N 3.34Å; L1037-S1039 PolarHBondContact O-N 2.95Å
1040Q97.2Very high97.3Very high118 Ų11851.3 Ų51.355%0.55128%0.275SS*.  trans-68.4145.6166.4-57.182.7400109.6N1025 E1026 V1027N1025-Q1040 HydrophobicContact CB-CB 4.01Å; E1026-Q1040 WeakPolarHBondContact O-CA 3.47Å; E1026-Q1040 WeakPolarHBondContact O-CB 3.42Å; V1027-Q1040 HydrophobicContact CG2-CG 4.23Å
1041I98.2Very high97.3Very high18 Ų1849.9 Ų49.99%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-108.3134.3-176.6-56.4-54.7000109.2A781 A783 N1025 E1026 L1028 L1037 I1043A781-I1041 HydrophobicContact CB-CG2 3.99Å; A783-I1041 HydrophobicContact CB-CD1 3.84Å; A783-I1041 HydrophobicContact CB-CG1 4.35Å; A783-I1041 HydrophobicContact CB-CG2 3.84Å; N1025-I1041 WeakPolarHBondContact CA-O 3.17Å; E1026-I1041 PolarHBondContact N-O 3.48Å; E1026-I1041 PolarHBondContact O-N 3.41Å; L1028-I1041 HydrophobicContact CB-CG1 4.26Å; L1028-I1041 HydrophobicContact CD1-CB 4.02Å; L1028-I1041 HydrophobicContact CD2-CB 4.02Å; L1028-I1041 HydrophobicContact CD2-CG1 4.21Å; L1028-I1041 HydrophobicContact CD2-CG2 4.16Å; L1028-I1041 HydrophobicContact CG-CB 4.44Å; L1037-I1041 HydrophobicContact CD1-CD1 4.44Å; L1037-I1041 HydrophobicContact CD1-CG1 4.09Å; I1041-I1043 PolarHBondContact O-N 3.22Å
1042F98.3Very high97.2Very high35 Ų3552.3 Ų52.315%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-75.6116.5170-174.6-96.6000108.8A781 I782 L981 C984 R1023 N1025A781-F1042 WeakPolarHBondContact CA-O 3.46Å; I782-F1042 HydrophobicContact CD1-CD1 3.74Å; I782-F1042 HydrophobicContact CD1-CE1 4.19Å; I782-F1042 HydrophobicContact CG1-CD1 4.05Å; I782-F1042 PolarHBondContact N-O 3Å; L981-F1042 HydrophobicContact CD2-CD1 4.41Å; L981-F1042 HydrophobicContact CD2-CE1 4.11Å; L981-F1042 WeakPolarHBondContact O-CZ 3.32Å; C984-F1042 HydrophobicContact CB-CE1 3.46Å; C984-F1042 VanDerWaalsContact CB-CE1 3.46Å; C984-F1042 HydrophobicContact CB-CZ 3.76Å; R1023-F1042 WeakPolarHBondContact O-CD2 3.42Å; R1023-F1042 WeakPolarHBondContact O-CE2 3.44Å; N1025-F1042 WeakPolarHBondContact OD1-CB 3.47Å
1043I98.1Very high97.1Very high6 Ų649.7 Ų49.73%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-133.5144.1-176.1-175.3170.3000109.4I779 V780 A781 T957 P963 K988 E1026 L1028 I1041I779-I1043 HydrophobicContact CG2-CD1 3.87Å; I779-I1043 HydrophobicContact CG2-CG1 3.83Å; V780-I1043 CarbonylContact O-C 3.59Å; V780-I1043 VanDerWaalsContact O-CA 3.27Å; V780-I1043 WeakPolarHBondContact O-CA 3.2Å; A781-I1043 HydrophobicContact CB-CB 4.29Å; A781-I1043 HydrophobicContact CB-CD1 4.31Å; A781-I1043 HydrophobicContact CB-CG1 4.15Å; T957-I1043 HydrophobicContact CG2-CD1 4.2Å; P963-I1043 HydrophobicContact CB-CD1 4.22Å; K988-I1043 WeakPolarHBondContact CE-O 3.42Å; K988-I1043 PolarHBondContact NZ-O 3.4Å; E1026-I1043 HydrophobicContact CB-CG2 3.92Å; E1026-I1043 HydrophobicContact CG-CG2 4.01Å; L1028-I1043 HydrophobicContact CD1-CG2 4.36Å; L1028-I1043 HydrophobicContact CD2-CD1 4.45Å; I1041-I1043 PolarHBondContact O-N 3.22Å
1044G97.1Very high96.9Very high3 Ų345.1 Ų45.13%0.03123%0.233CC..EExtended strand (participates in β ladder)trans179167.4175.400000112.7V780V780-G1044 PolarHBondContact N-O 3.24Å; V780-G1044 PolarHBondContact O-N 3.16Å
1045P98.1Very high96.9Very high12 Ų1245.5 Ų45.58%0.07823%0.227CC..EExtended strand (participates in β ladder)trans-75.6136.5177.631.3-33.9000111.4L758 S778 I779 G987 A991L758-P1045 HydrophobicContact CD1-CB 3.84Å; L758-P1045 HydrophobicContact CD1-CG 4.05Å; S778-P1045 CarbonylContact O-C 3.5Å; S778-P1045 WeakPolarHBondContact O-CA 3.21Å; I779-P1045 HydrophobicContact CD1-CB 3.9Å; G987-P1045 WeakPolarHBondContact O-CG 3.49Å; A991-P1045 HydrophobicContact CB-CG 4.43Å
1046T98.2Very high96.6Very high2 Ų239.9 Ų39.91%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-141.8144.9178.2-40.30000110.3S778 E983 C984 Y1048S778-T1046 PolarHBondContact N-O 3.4Å; S778-T1046 PolarHBondContact O-N 2.89Å; E983-T1046 VanDerWaalsContact CD-CG2 3.41Å; E983-T1046 HydrophobicContact CG-CG2 4.16Å; E983-T1046 WeakPolarHBondContact OE2-CG2 3.12Å; C984-T1046 PolarHBondContact SG-OG1 3.4Å; T1046-Y1048 HydrophobicContact CG2-CD2 4.34Å; T1046-Y1048 HydrophobicContact CG2-CE2 4.13Å; T1046-Y1048 PolarHBondContact O-N 3.34Å
1047Y98.4Very high96.1Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-83.1112.5179.3-171.8-98.5000112.1Q755 P757 F769 P773 A774 G775 R938 E983 Q1049Q755-Y1047 WeakPolarHBondContact O-CE2 3.49Å; Q755-Y1047 PolarHBondContact O-OH 3.44Å; P757-Y1047 HydrophobicContact CB-CD1 4.48Å; P757-Y1047 HydrophobicContact CB-CD2 3.86Å; P757-Y1047 HydrophobicContact CB-CE2 4.3Å; P757-Y1047 HydrophobicContact CB-CG 3.91Å; F769-Y1047 HydrophobicContact CE1-CE1 4.23Å; F769-Y1047 HydrophobicContact CZ-CE1 4.24Å; P773-Y1047 WeakPolarHBondContact CB-OH 3.32Å; A774-Y1047 PolarHBondContact N-OH 3.03Å; A774-Y1047 VanDerWaalsContact N-OH 3.09Å; G775-Y1047 VanDerWaalsContact C-CZ 3.49Å; G775-Y1047 VanDerWaalsContact CA-OH 3.24Å; G775-Y1047 WeakPolarHBondContact CA-OH 3.29Å; G775-Y1047 PolarHBondContact N-OH 2.93Å; R938-Y1047 HydrophobicContact CG-CD1 3.91Å; E983-Y1047 PolarHBondContact OE1-N 3.09Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.23Å
1048Y98.3Very high95.8Very high6 Ų639.7 Ų39.72%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-103.8153178-94.1-112.9000112.3G775 I776 V780 F806 F935 I965 I967 T1046G775-Y1048 CarbonylContact C-O 3.3Å; G775-Y1048 WeakPolarHBondContact CA-O 3.24Å; I776-Y1048 PolarHBondContact N-O 2.85Å; I776-Y1048 PolarHBondContact O-N 3.39Å; V780-Y1048 HydrophobicContact CG2-CD2 3.97Å; V780-Y1048 HydrophobicContact CG2-CE2 3.57Å; F806-Y1048 WeakPolarHBondContact CE1-O 3.35Å; F806-Y1048 VanDerWaalsContact CZ-O 3.27Å; F806-Y1048 WeakPolarHBondContact CZ-O 3.43Å; F935-Y1048 HydrophobicContact CB-CD1 4.4Å; I965-Y1048 HydrophobicContact CD1-CD1 3.78Å; I965-Y1048 HydrophobicContact CD1-CE1 4.19Å; I965-Y1048 HydrophobicContact CD1-CG 4Å; I967-Y1048 WeakPolarHBondContact CG2-OH 3.4Å; T1046-Y1048 HydrophobicContact CG2-CD2 4.34Å; T1046-Y1048 HydrophobicContact CG2-CE2 4.13Å; T1046-Y1048 PolarHBondContact O-N 3.34Å
1049Q98.1Very high95.5Very high1 Ų138.7 Ų38.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-118.3132.2179.7-61.5176.1-15.400109.3A732 F935 A936 Y1047A732-Q1049 HydrophobicContact CB-CB 4Å; A732-Q1049 HydrophobicContact CB-CG 4.25Å; F935-Q1049 CarbonylContact C-O 3.5Å; F935-Q1049 VanDerWaalsContact CA-O 3.29Å; F935-Q1049 WeakPolarHBondContact CA-O 3.38Å; A936-Q1049 PolarHBondContact N-O 2.87Å; A936-Q1049 PolarHBondContact O-N 3.14Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.23Å
1050R98Very high95.1Very high1 Ų138.8 Ų38.80%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-88.4127.1165.9-173.7172.1179.4-161.54.5108.6A732 M733 F806 S808 R927 I928 D933 F935A732-R1050 CarbonylContact C-O 3.42Å; A732-R1050 WeakPolarHBondContact CA-O 3.04Å; M733-R1050 HydrophobicContact CE-CB 4Å; M733-R1050 VanDerWaalsContact CE-CD 3.5Å; M733-R1050 HydrophobicContact CE-CG 3.59Å; M733-R1050 PolarHBondContact N-O 3.15Å; F806-R1050 HydrophobicContact CD1-CB 3.74Å; F806-R1050 HydrophobicContact CE1-CB 4.24Å; F806-R1050 HydrophobicContact CG-CB 4.26Å; F806-R1050 WeakPolarHBondContact O-CD 3.49Å; F806-R1050 PolarHBondContact O-NH1 3.26Å; S808-R1050 PolarHBondContact OG-NH1 3.48Å; S808-R1050 VanDerWaalsContact OG-NH1 3.15Å; R927-R1050 PolarHBondContact O-NH1 3.22Å; I928-R1050 PolarHBondContact O-NH2 3.45Å; D933-R1050 IonicContact OD2-CZ 2.68Å; D933-R1050 IonicContact OD2-NE 3.56Å; D933-R1050 IonicContact OD2-NH2 3.68Å; D933-R1050 PolarHBondContact OD2-NH2 3.38Å; F935-R1050 HydrophobicContact CD1-CB 3.91Å; F935-R1050 HydrophobicContact CD1-CG 4.08Å; F935-R1050 HydrophobicContact CE1-CB 3.66Å; F935-R1050 HydrophobicContact CE1-CG 3.52Å; F935-R1050 HydrophobicContact CZ-CG 3.96Å
1051L96.8Very high94.7Very high4 Ų438.4 Ų38.42%0.02120%0.2CC..BIsolated β-bridgetrans-90.1155.1-178.8-53.2-176.5000110.5Q731 A732 K934 A936 H1053Q731-L1051 HydrophobicContact CB-CD2 4.36Å; Q731-L1051 WeakPolarHBondContact O-CA 3.41Å; A732-L1051 HydrophobicContact CB-CD2 4.49Å; K934-L1051 HydrophobicContact CB-CB 4.27Å; K934-L1051 HydrophobicContact CB-CD1 4.15Å; K934-L1051 WeakPolarHBondContact O-CB 3.47Å; K934-L1051 PolarHBondContact O-N 2.91Å; A936-L1051 HydrophobicContact CB-CD1 4.22Å; A936-L1051 HydrophobicContact CB-CD2 4.28Å; A936-L1051 HydrophobicContact CB-CG 4.42Å; L1051-H1053 PolarHBondContact O-N 2.96Å
1052K94.9Very high94.3Very high71 Ų7140.8 Ų40.831%0.30921%0.207SC..SBendtrans-61.8-7.6176.367.5171.4173.9-170.90115.5L473 Q731 M733 M1054L473-K1052 HydrophobicContact CD1-CB 4.27Å; L473-K1052 HydrophobicContact CD1-CD 4.26Å; L473-K1052 HydrophobicContact CD2-CB 4.25Å; L473-K1052 HydrophobicContact CD2-CD 3.76Å; L473-K1052 HydrophobicContact CD2-CG 4.2Å; Q731-K1052 PolarHBondContact O-N 2.98Å; M733-K1052 HydrophobicContact CG-CB 4.43Å; K1052-M1054 PolarHBondContact O-N 3.08Å
1053H93.9Very high93.8Very high48 Ų4844.1 Ų44.122%0.22224%0.241CC..  trans-8788.4-174.8-67.5-53.7000110.6Q731 K934 L1051Q731-H1053 PolarHBondContact OE1-CD2 2.84Å; Q731-H1053 PolarHBondContact OE1-NE2 2.74Å; K934-H1053 HydrophobicContact CB-CB 4.34Å; K934-H1053 HydrophobicContact CD-CB 3.88Å; K934-H1053 HydrophobicContact CG-CB 4.31Å; K934-H1053 PolarHBondContact N-O 3.46Å; L1051-H1053 PolarHBondContact O-N 2.96Å
1054M93.6Very high93.3Very high4 Ų455.2 Ų55.22%0.0228%0.283CS..  trans-97.7148.2177.7-60.8174.9-61.200111.6H749 R927 D933 K1052 D1057 K1058H749-M1054 VanDerWaalsContact CE1-CE 3.45Å; H749-M1054 WeakPolarHBondContact CE1-CE 3.48Å; R927-M1054 HydrophobicContact CB-SD 3.67Å; R927-M1054 HydrophobicContact CG-CE 3.99Å; R927-M1054 HydrophobicContact CG-SD 3.71Å; D933-M1054 VanDerWaalsContact OD1-CA 3.24Å; D933-M1054 WeakPolarHBondContact OD1-CA 3.43Å; D933-M1054 WeakPolarHBondContact OD1-CB 3.33Å; K1052-M1054 PolarHBondContact O-N 3.08Å; M1054-D1057 WeakPolarHBondContact CE-OD2 3.45Å; M1054-D1057 PolarHBondContact O-N 3.37Å; M1054-K1058 WeakPolarHBondContact O-CG 3.25Å
1055V94.1Very high92.8Very high49 Ų4956.6 Ų56.630%0.29730%0.297SS..G310 helixtrans-65.7-39.5-176.162.20000112.8Q930 I931 D933 D1057 K1058 I1059Q930-V1055 HydrophobicContact CG-CG1 3.99Å; I931-V1055 WeakPolarHBondContact O-CG1 3.33Å; D933-V1055 PolarHBondContact OD1-N 2.81Å; V1055-D1057 PolarHBondContact O-N 3.14Å; V1055-D1057 VanDerWaalsContact O-N 3.13Å; V1055-K1058 WeakPolarHBondContact O-CA 3.43Å; V1055-K1058 PolarHBondContact O-N 3.11Å; V1055-I1059 PolarHBondContact O-N 3.08Å
1056D90.4Very high92.4Very high69 Ų6959.2 Ų59.237%0.36931%0.314SS..G310 helixtrans-61.1-26178.7-65.3-21.3000112.3R927 Q930 K1058 R1078R927-D1056 IonicContact NH1-OD2 3.11Å; Q930-D1056 PolarHBondContact NE2-OD1 3.27Å; Q930-D1056 PolarHBondContact NE2-OD2 3.32Å; D1056-K1058 VanDerWaalsContact C-N 3.29Å; D1056-R1078 PolarHBondContact O-NH2 3.33Å
1057D86.5Confident92.1Very high40 Ų4062.8 Ų62.821%0.21434%0.336CS..G310 helixtrans-892.2178.4-64.9-6.8000112.2R927 M1054 V1055 R1078R927-D1057 IonicContact CZ-OD1 3.73Å; R927-D1057 IonicContact NH1-OD1 2.82Å; R927-D1057 PolarHBondContact NH1-OD1 3.42Å; R927-D1057 IonicContact NH1-OD2 3.59Å; R927-D1057 IonicContact NH2-OD1 3.43Å; R927-D1057 PolarHBondContact NH2-OD1 2.84Å; R927-D1057 IonicContact NH2-OD2 2.67Å; M1054-D1057 WeakPolarHBondContact CE-OD2 3.45Å; M1054-D1057 PolarHBondContact O-N 3.37Å; V1055-D1057 PolarHBondContact O-N 3.14Å; V1055-D1057 VanDerWaalsContact O-N 3.13Å; D1057-R1078 VanDerWaalsContact O-CZ 3.32Å; D1057-R1078 PolarHBondContact O-NH1 2.84Å
1058K89.3Confident91.8Very high128 Ų12866.5 Ų66.556%0.55735%0.353SS*.THydrogen-bonded Turntrans-123.2-32.9-177.5-65.7-64.3-176.6-175.60113.8M1054 V1055 D1056 H1060M1054-K1058 WeakPolarHBondContact O-CG 3.25Å; V1055-K1058 WeakPolarHBondContact O-CA 3.43Å; V1055-K1058 PolarHBondContact O-N 3.11Å; D1056-K1058 VanDerWaalsContact C-N 3.29Å; K1058-H1060 PolarHBondContact O-N 3.07Å; K1058-H1060 PolarHBondContact O-ND1 3Å
1059I90.3Very high91.5Very high115 Ų11573.7 Ų73.759%0.5939%0.391SS*.  trans-58.1129.4178.5-169.1170.8000110.6V1055 R1078V1055-I1059 PolarHBondContact O-N 3.08Å; I1059-R1078 PolarHBondContact O-NE 3.33Å; I1059-R1078 PolarHBondContact O-NH2 3.39Å
1060H88.8Confident91.3Very high84 Ų8479.2 Ų79.239%0.38942%0.42SS..  trans-152.1144.8176.468.8-76.1000109.5K1058 R1078 L1084K1058-H1060 PolarHBondContact O-N 3.07Å; K1058-H1060 PolarHBondContact O-ND1 3Å; H1060-R1078 HydrophobicContact CB-CB 4.47Å; H1060-R1078 HydrophobicContact CB-CG 3.84Å; H1060-L1084 WeakPolarHBondContact NE2-CD2 3.42Å; H1060-L1084 WeakPolarHBondContact NE2-CG 3.19Å
1061S89.9Confident91.1Very high111 Ų11180.6 Ų80.678%0.77643%0.427SS*.  trans-148157.2177.261.80000108.8
1062R88.4Confident90.9Very high67 Ų6786 Ų8625%0.25345%0.447SS..  trans-148.2125.6177.8178.5-175.7168.4131.6-1.6109.3G1065 P1066 P1074 D1081R1062-G1065 PolarHBondContact NH2-O 3.13Å; R1062-G1065 VanDerWaalsContact NH2-O 3.12Å; R1062-P1066 PolarHBondContact NH1-O 2.86Å; R1062-P1066 PolarHBondContact NH2-O 3.16Å; R1062-P1074 VanDerWaalsContact CZ-CB 3.44Å; R1062-D1081 PolarHBondContact NH1-O 2.92Å
1063A89.5Confident90.8Very high105 Ų10585.7 Ų85.787%0.86845%0.446SS*.SBendtrans-94.2-65168.700000110.3
1064R86.6Confident90.8Very high239 Ų23985.1 Ų85.190%0.90245%0.447SS*.SBendtrans-134.4155.2166.4-67.3-177.5-179.9176.80.8107.6
1065G87.9Confident90.7Very high32 Ų3287 Ų8733%0.3346%0.456SS..  trans-171.4-172.8-176.600000112.8R1062R1062-G1065 PolarHBondContact NH2-O 3.13Å; R1062-G1065 VanDerWaalsContact NH2-O 3.12Å
1066P88.7Confident90.4Very high68 Ų6892.2 Ų92.244%0.44248%0.477SS..  trans-54.2144.2179.3-25.535000112.1R1062 M1075R1062-P1066 PolarHBondContact NH1-O 2.86Å; R1062-P1066 PolarHBondContact NH2-O 3.16Å; P1066-M1075 HydrophobicContact CB-CG 3.86Å; P1066-M1075 PolarHBondContact O-N 2.76Å; P1066-M1075 VanDerWaalsContact O-N 3.14Å
1067V92.7Very high90.1Very high77 Ų7790.9 Ų90.947%0.46748%0.48SS..BIsolated β-bridgetrans-118.8146.7176.2-66.50000109.7Q1073V1067-Q1073 CarbonylContact C-O 3.51Å; V1067-Q1073 WeakPolarHBondContact CA-O 3.15Å; V1067-Q1073 WeakPolarHBondContact CB-O 3.16Å
1068Q92.2Very high89.9Confident77 Ų7792.4 Ų92.436%0.3648%0.483SS..  trans-72.3134.7173.5-179.117712.200109.4L1070 N1071 R1072 Q1073 M1075Q1068-L1070 VanDerWaalsContact C-N 3.32Å; Q1068-L1070 HydrophobicContact CG-CB 4.42Å; Q1068-L1070 PolarHBondContact O-N 2.84Å; Q1068-N1071 WeakPolarHBondContact CB-OD1 2.92Å; Q1068-N1071 PolarHBondContact OE1-OD1 3.11Å; Q1068-R1072 WeakPolarHBondContact O-CA 3.46Å; Q1068-R1072 PolarHBondContact O-N 3.21Å; Q1068-Q1073 PolarHBondContact N-O 2.67Å; Q1068-M1075 HydrophobicContact CB-SD 3.81Å
1069I92Very high89.4Confident158 Ų15890.1 Ų90.181%0.8148%0.483SS*.THydrogen-bonded Turntrans-65.2-36.9-172.7-62172.9000112.1
1070L92.9Very high89Confident117 Ų11792.5 Ų92.561%0.61349%0.485SS*.THydrogen-bonded Turntrans-62.1-55.4-173.2-18064.3000112.9Q1068 Y1153Q1068-L1070 VanDerWaalsContact C-N 3.32Å; Q1068-L1070 HydrophobicContact CG-CB 4.42Å; Q1068-L1070 PolarHBondContact O-N 2.84Å; L1070-Y1153 WeakPolarHBondContact O-CE1 3.37Å
1071N93.1Very high88.7Confident29 Ų2992.4 Ų92.416%0.15549%0.487CS..THydrogen-bonded Turntrans-107.3-4.8-176.159.1-3.3000113.1Q1068 Q1073 Y1153Q1068-N1071 WeakPolarHBondContact CB-OD1 2.92Å; Q1068-N1071 PolarHBondContact OE1-OD1 3.11Å; N1071-Q1073 HydrophobicContact CB-CG 4.33Å; N1071-Q1073 PolarHBondContact ND2-OE1 2.91Å; N1071-Q1073 PolarHBondContact O-N 3.31Å; N1071-Q1073 VanDerWaalsContact O-N 3.12Å; N1071-Q1073 PolarHBondContact OD1-N 3.08Å; N1071-Y1153 VanDerWaalsContact O-CD1 3.25Å; N1071-Y1153 WeakPolarHBondContact O-CD1 3.42Å
1072R93.2Very high88.6Confident118 Ų11887.4 Ų87.445%0.44545%0.453SS..  trans57.718.1-175.7-58-172.1178.4-169.2-2.3114.8Q1068 Y1153Q1068-R1072 WeakPolarHBondContact O-CA 3.46Å; Q1068-R1072 PolarHBondContact O-N 3.21Å; R1072-Y1153 HydrophobicContact CB-CD1 4.12Å; R1072-Y1153 HydrophobicContact CB-CG 4.2Å; R1072-Y1153 HydrophobicContact CG-CD1 3.99Å; R1072-Y1153 HydrophobicContact CG-CD2 4.43Å; R1072-Y1153 HydrophobicContact CG-CE1 3.99Å; R1072-Y1153 HydrophobicContact CG-CE2 4.41Å; R1072-Y1153 HydrophobicContact CG-CG 4.21Å
1073Q93.6Very high88.6Confident64 Ų6485.4 Ų85.430%0.29945%0.453SS..  trans-84159.4176.2-70.8-176.9-34.100110.9V1067 Q1068 N1071 M1075 D1112V1067-Q1073 CarbonylContact C-O 3.51Å; V1067-Q1073 WeakPolarHBondContact CA-O 3.15Å; V1067-Q1073 WeakPolarHBondContact CB-O 3.16Å; Q1068-Q1073 PolarHBondContact N-O 2.67Å; N1071-Q1073 HydrophobicContact CB-CG 4.33Å; N1071-Q1073 PolarHBondContact ND2-OE1 2.91Å; N1071-Q1073 PolarHBondContact O-N 3.31Å; N1071-Q1073 VanDerWaalsContact O-N 3.12Å; N1071-Q1073 PolarHBondContact OD1-N 3.08Å; Q1073-M1075 PolarHBondContact O-N 2.72Å; Q1073-D1112 HydrophobicContact CG-CB 4.08Å
1074P94.1Very high88.8Confident36 Ų3687 Ų8723%0.23445%0.446CS..BIsolated β-bridgetrans-44.5133.4169-33.839.7000113.1R1062R1062-P1074 VanDerWaalsContact CZ-CB 3.44Å
1075M90.6Very high89.1Confident43 Ų4386.3 Ų86.321%0.21244%0.444CS..  trans-55.5153.5172.3-75.4-66.7-68.200111.8P1066 Q1068 Q1073 G1082 G1083P1066-M1075 HydrophobicContact CB-CG 3.86Å; P1066-M1075 PolarHBondContact O-N 2.76Å; P1066-M1075 VanDerWaalsContact O-N 3.14Å; Q1068-M1075 HydrophobicContact CB-SD 3.81Å; Q1073-M1075 PolarHBondContact O-N 2.72Å; M1075-G1082 CarbonylContact O-C 3.57Å; M1075-G1082 WeakPolarHBondContact O-CA 3.48Å; M1075-G1083 PolarHBondContact O-N 3.44Å
1076E88.8Confident89.5Confident159 Ų15988 Ų8874%0.74344%0.442SS*.  trans-90.5150.2170.6-61.8-176.7174.700111.6
1077G82.8Confident89.8Confident42 Ų4285.4 Ų85.443%0.43343%0.428SS..SBendtrans92.1133.1168.200000115S1079 R1080 G1082G1077-S1079 VanDerWaalsContact C-N 3.32Å; G1077-S1079 PolarHBondContact O-N 3.01Å; G1077-R1080 PolarHBondContact O-N 2.89Å; G1077-G1082 WeakPolarHBondContact O-CA 3.47Å; G1077-G1082 PolarHBondContact O-N 2.87Å
1078R82.8Confident90Very high72 Ų7287.7 Ų87.727%0.27243%0.434SS..G310 helixtrans-55.9-39.9-179.4177.1177.6-174.2-106.1-9.9113.8D1056 D1057 I1059 H1060 R1080 D1081D1056-R1078 PolarHBondContact O-NH2 3.33Å; D1057-R1078 VanDerWaalsContact O-CZ 3.32Å; D1057-R1078 PolarHBondContact O-NH1 2.84Å; I1059-R1078 PolarHBondContact O-NE 3.33Å; I1059-R1078 PolarHBondContact O-NH2 3.39Å; H1060-R1078 HydrophobicContact CB-CB 4.47Å; H1060-R1078 HydrophobicContact CB-CG 3.84Å; R1078-R1080 PolarHBondContact O-N 2.98Å; R1078-R1080 VanDerWaalsContact O-N 3.11Å; R1078-D1081 PolarHBondContact O-N 3.07Å
1079S77.9Confident90.3Very high80 Ų8091.3 Ų91.356%0.55945%0.452SS*.G310 helixtrans-71.6-2.6-176.159.30000114.4G1077G1077-S1079 VanDerWaalsContact C-N 3.32Å; G1077-S1079 PolarHBondContact O-N 3.01Å
1080R81.8Confident90.5Very high165 Ų16588.1 Ų88.162%0.62343%0.434SS*.G310 helixtrans-127.522.8-179.6-62.9-177.4175.9-179.6-1.9111.7G1077 R1078 G1082G1077-R1080 PolarHBondContact O-N 2.89Å; R1078-R1080 PolarHBondContact O-N 2.98Å; R1078-R1080 VanDerWaalsContact O-N 3.11Å; R1080-G1082 PolarHBondContact O-N 3.34Å
1081D82.8Confident90.7Very high82 Ų8286.4 Ų86.444%0.43942%0.419SS..THydrogen-bonded Turntrans5241.4-174.3-57.2-37.6000112.6R1062 R1078R1062-D1081 PolarHBondContact NH1-O 2.92Å; R1078-D1081 PolarHBondContact O-N 3.07Å
1082G88.1Confident90.9Very high5 Ų588.3 Ų88.35%0.05243%0.429CS..PPolyproline II helixtrans-69.4157.3179.500000113.6M1075 G1077 R1080M1075-G1082 CarbonylContact O-C 3.57Å; M1075-G1082 WeakPolarHBondContact O-CA 3.48Å; G1077-G1082 WeakPolarHBondContact O-CA 3.47Å; G1077-G1082 PolarHBondContact O-N 2.87Å; R1080-G1082 PolarHBondContact O-N 3.34Å
1083G89.2Confident91.1Very high25 Ų2586 Ų8626%0.25843%0.431SS..PPolyproline II helixtrans-80.6163.1176.200000113.5M1075M1075-G1083 PolarHBondContact O-N 3.44Å
1084L92.9Very high91.3Very high139 Ų13985 Ų8573%0.72843%0.426SS*.PPolyproline II helixtrans-77.8143.8167.1-81.4170.8000110.3H1060H1060-L1084 WeakPolarHBondContact NE2-CD2 3.42Å; H1060-L1084 WeakPolarHBondContact NE2-CG 3.19Å
1085R93.8Very high91.5Very high225 Ų22587.9 Ų87.985%0.84944%0.439SS*.PPolyproline II helixtrans-81.1121.5177-174.7173.5-178.7170.5-0.7109.9
1086F95.6Very high91.8Very high66 Ų6690.1 Ų90.129%0.28946%0.464SS..  trans-96103.6164.3-171.7-93.2000107.6E1090 R1091 Q1094 L1103 L1107F1086-E1090 HydrophobicContact CD1-CB 4.47Å; F1086-E1090 HydrophobicContact CD2-CB 3.72Å; F1086-E1090 HydrophobicContact CD2-CG 4.46Å; F1086-E1090 HydrophobicContact CE1-CB 4.31Å; F1086-E1090 HydrophobicContact CE2-CB 3.52Å; F1086-E1090 HydrophobicContact CG-CB 4.21Å; F1086-E1090 VanDerWaalsContact CZ-C 3.48Å; F1086-E1090 HydrophobicContact CZ-CB 3.83Å; F1086-E1090 WeakPolarHBondContact CZ-O 3.32Å; F1086-R1091 HydrophobicContact CE1-CB 3.91Å; F1086-Q1094 HydrophobicContact CE2-CG 4.43Å; F1086-Q1094 HydrophobicContact CZ-CG 3.93Å; F1086-L1103 HydrophobicContact CE1-CD1 3.81Å; F1086-L1103 HydrophobicContact CZ-CD1 4.08Å; F1086-L1107 HydrophobicContact CD1-CD2 3.79Å; F1086-L1107 HydrophobicContact CD1-CG 4.37Å; F1086-L1107 HydrophobicContact CE1-CD2 4.19Å; F1086-L1107 HydrophobicContact CE1-CG 4.35Å
1087G95.4Very high92.3Very high14 Ų1489.7 Ų89.714%0.14446%0.461CS..  trans-90.7-171-171.100000113.5E1090 R1091G1087-E1090 VanDerWaalsContact C-OE2 3.31Å; G1087-E1090 WeakPolarHBondContact CA-OE2 3.38Å; G1087-E1090 PolarHBondContact N-OE2 3.28Å; G1087-R1091 PolarHBondContact O-N 3.18Å; G1087-R1091 VanDerWaalsContact O-N 3.09Å
1088E96.9Very high92.9Very high126 Ų12690.5 Ų90.559%0.58947%0.47SS*.Hα-helixtrans-65.2-42.5178.4176.6160.9-135.900112.3E1090 R1091 D1092E1088-E1090 PolarHBondContact O-N 3.07Å; E1088-R1091 WeakPolarHBondContact O-CB 3.49Å; E1088-R1091 PolarHBondContact O-N 3.35Å; E1088-R1091 IonicContact OE1-CZ 3.65Å; E1088-R1091 IonicContact OE1-NH1 2.97Å; E1088-R1091 IonicContact OE1-NH2 2.93Å; E1088-R1091 PolarHBondContact OE1-NH2 3.09Å; E1088-D1092 VanDerWaalsContact O-CG 3.32Å; E1088-D1092 PolarHBondContact O-N 3.14Å
1089M97.4Very high93.6Very high153 Ų15388.6 Ų88.675%0.75447%0.469SS*.Hα-helixtrans-65-42.8179.8-67.7-178.2174.600111.2R1091 D1092 C1093M1089-R1091 VanDerWaalsContact C-N 3.32Å; M1089-R1091 PolarHBondContact O-N 2.95Å; M1089-D1092 PolarHBondContact O-N 3.07Å; M1089-C1093 PolarHBondContact O-N 2.83Å; M1089-C1093 PolarHBondContact O-SG 3.4Å
1090E96.8Very high94.6Very high91 Ų9188.2 Ų88.243%0.42547%0.471SS..Hα-helixtrans-64.5-38.1177.2-64.176.4-166.600111.6F1086 G1087 E1088 Q1094F1086-E1090 HydrophobicContact CD1-CB 4.47Å; F1086-E1090 HydrophobicContact CD2-CB 3.72Å; F1086-E1090 HydrophobicContact CD2-CG 4.46Å; F1086-E1090 HydrophobicContact CE1-CB 4.31Å; F1086-E1090 HydrophobicContact CE2-CB 3.52Å; F1086-E1090 HydrophobicContact CG-CB 4.21Å; F1086-E1090 VanDerWaalsContact CZ-C 3.48Å; F1086-E1090 HydrophobicContact CZ-CB 3.83Å; F1086-E1090 WeakPolarHBondContact CZ-O 3.32Å; G1087-E1090 VanDerWaalsContact C-OE2 3.31Å; G1087-E1090 WeakPolarHBondContact CA-OE2 3.38Å; G1087-E1090 PolarHBondContact N-OE2 3.28Å; E1088-E1090 PolarHBondContact O-N 3.07Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.46Å; E1090-Q1094 PolarHBondContact O-N 3.46Å
1091R97.1Very high95.3Very high80 Ų8088.1 Ų88.130%0.30248%0.478SS..Hα-helixtrans-57.5-51.6171.2174.2-157.975.6-161.2-0.7110.5F1086 G1087 E1088 M1089 C1093 Q1094 I1095 L1103 L1107F1086-R1091 HydrophobicContact CE1-CB 3.91Å; G1087-R1091 PolarHBondContact O-N 3.18Å; G1087-R1091 VanDerWaalsContact O-N 3.09Å; E1088-R1091 WeakPolarHBondContact O-CB 3.49Å; E1088-R1091 PolarHBondContact O-N 3.35Å; E1088-R1091 IonicContact OE1-CZ 3.65Å; E1088-R1091 IonicContact OE1-NH1 2.97Å; E1088-R1091 IonicContact OE1-NH2 2.93Å; E1088-R1091 PolarHBondContact OE1-NH2 3.09Å; M1089-R1091 VanDerWaalsContact C-N 3.32Å; M1089-R1091 PolarHBondContact O-N 2.95Å; R1091-C1093 VanDerWaalsContact C-N 3.3Å; R1091-C1093 PolarHBondContact O-N 3.2Å; R1091-Q1094 PolarHBondContact O-N 3.2Å; R1091-I1095 HydrophobicContact CG-CD1 3.93Å; R1091-I1095 HydrophobicContact CG-CG1 4.47Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.13Å; R1091-I1095 PolarHBondContact O-N 3Å; R1091-L1103 HydrophobicContact CB-CD1 4Å; R1091-L1103 HydrophobicContact CG-CD1 3.61Å; R1091-L1103 HydrophobicContact CG-CD2 4.12Å; R1091-L1103 HydrophobicContact CG-CG 4.43Å; R1091-L1107 HydrophobicContact CG-CD1 4.21Å
1092D97.8Very high96Very high69 Ų6988 Ų8837%0.36947%0.474SS..Hα-helixtrans-65-34.9-175.2-69.5-10000112.1E1088 M1089 Q1094 I1095 A1096E1088-D1092 VanDerWaalsContact O-CG 3.32Å; E1088-D1092 PolarHBondContact O-N 3.14Å; M1089-D1092 PolarHBondContact O-N 3.07Å; D1092-Q1094 VanDerWaalsContact C-N 3.34Å; D1092-Q1094 PolarHBondContact O-N 3.48Å; D1092-I1095 PolarHBondContact O-N 3.48Å; D1092-A1096 WeakPolarHBondContact O-CB 3.45Å; D1092-A1096 PolarHBondContact O-N 3.27Å
1093C97.9Very high96.4Very high70 Ų7089 Ų8947%0.47348%0.477SS..Hα-helixtrans-59.1-43.6170.2-68.90000112.1M1089 R1091 I1095 A1096 H1097M1089-C1093 PolarHBondContact O-N 2.83Å; M1089-C1093 PolarHBondContact O-SG 3.4Å; R1091-C1093 VanDerWaalsContact C-N 3.3Å; R1091-C1093 PolarHBondContact O-N 3.2Å; C1093-I1095 VanDerWaalsContact C-N 3.34Å; C1093-A1096 PolarHBondContact O-N 3.34Å; C1093-H1097 PolarHBondContact O-CD2 2.8Å; C1093-H1097 PolarHBondContact O-N 3.43Å
1094Q97.6Very high96.8Very high44 Ų4494.8 Ų94.821%0.20649%0.492CS..Hα-helixtrans-69.4-33178.3-63.9-55.9-40.700112.7F1086 E1090 R1091 D1092 H1097 G1098 A1099 F1102 L1103F1086-Q1094 HydrophobicContact CE2-CG 4.43Å; F1086-Q1094 HydrophobicContact CZ-CG 3.93Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.46Å; E1090-Q1094 PolarHBondContact O-N 3.46Å; R1091-Q1094 PolarHBondContact O-N 3.2Å; D1092-Q1094 VanDerWaalsContact C-N 3.34Å; D1092-Q1094 PolarHBondContact O-N 3.48Å; Q1094-H1097 PolarHBondContact O-N 2.9Å; Q1094-G1098 PolarHBondContact O-N 3.43Å; Q1094-A1099 PolarHBondContact O-N 2.91Å; Q1094-F1102 HydrophobicContact CG-CD1 3.85Å; Q1094-F1102 HydrophobicContact CG-CE1 3.89Å; Q1094-F1102 VanDerWaalsContact OE1-CD1 3.3Å; Q1094-L1103 HydrophobicContact CB-CB 4.35Å; Q1094-L1103 HydrophobicContact CB-CD1 4.06Å
1095I97.6Very high97Very high96 Ų9691.7 Ų91.749%0.49247%0.473SS..Hα-helixtrans-62.9-46170.9-65.1171.6000109.9R1091 D1092 C1093 H1097 G1098 L1103R1091-I1095 HydrophobicContact CG-CD1 3.93Å; R1091-I1095 HydrophobicContact CG-CG1 4.47Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.13Å; R1091-I1095 PolarHBondContact O-N 3Å; D1092-I1095 PolarHBondContact O-N 3.48Å; C1093-I1095 VanDerWaalsContact C-N 3.34Å; I1095-H1097 VanDerWaalsContact C-N 3.29Å; I1095-H1097 PolarHBondContact O-N 2.98Å; I1095-G1098 WeakPolarHBondContact O-CA 3.35Å; I1095-G1098 PolarHBondContact O-N 2.91Å; I1095-L1103 HydrophobicContact CD1-CD2 4.19Å; I1095-L1103 HydrophobicContact CG1-CD2 3.62Å
1096A97.9Very high97Very high90 Ų9085.5 Ų85.574%0.74445%0.45SS*.Hα-helixtrans-61.9-35.8178.300000112.7D1092 C1093 G1098D1092-A1096 WeakPolarHBondContact O-CB 3.45Å; D1092-A1096 PolarHBondContact O-N 3.27Å; C1093-A1096 PolarHBondContact O-N 3.34Å; A1096-G1098 PolarHBondContact O-N 3.19Å
1097H97.6Very high97.1Very high149 Ų14986.1 Ų86.169%0.6946%0.456SS*.THydrogen-bonded Turntrans-72.4-14172-74.9-61.2000114C1093 Q1094 I1095 A1099C1093-H1097 PolarHBondContact O-CD2 2.8Å; C1093-H1097 PolarHBondContact O-N 3.43Å; Q1094-H1097 PolarHBondContact O-N 2.9Å; I1095-H1097 VanDerWaalsContact C-N 3.29Å; I1095-H1097 PolarHBondContact O-N 2.98Å; H1097-A1099 VanDerWaalsContact C-N 3.28Å; H1097-A1099 HydrophobicContact CB-CB 4.44Å; H1097-A1099 PolarHBondContact O-N 2.87Å
1098G97Very high97.1Very high59 Ų5986.6 Ų86.661%0.60845%0.454SS*.THydrogen-bonded Turntrans73.416.6-173.700000114Q1094 I1095 A1096 A1100Q1094-G1098 PolarHBondContact O-N 3.43Å; I1095-G1098 WeakPolarHBondContact O-CA 3.35Å; I1095-G1098 PolarHBondContact O-N 2.91Å; A1096-G1098 PolarHBondContact O-N 3.19Å; G1098-A1100 PolarHBondContact O-N 3.48Å
1099A97.8Very high97Very high32 Ų3284.6 Ų84.626%0.26445%0.445SS..  trans-8357.3-175.800000112.2Q1094 H1097 Q1101 F1102 L1103Q1094-A1099 PolarHBondContact O-N 2.91Å; H1097-A1099 VanDerWaalsContact C-N 3.28Å; H1097-A1099 HydrophobicContact CB-CB 4.44Å; H1097-A1099 PolarHBondContact O-N 2.87Å; A1099-Q1101 VanDerWaalsContact C-N 3.35Å; A1099-Q1101 PolarHBondContact O-N 3.11Å; A1099-F1102 HydrophobicContact CB-CB 4.2Å; A1099-F1102 PolarHBondContact O-N 2.75Å; A1099-L1103 PolarHBondContact O-N 2.61Å
1100A97.1Very high96.9Very high73 Ų7379.8 Ų79.860%0.60343%0.429SS*.Hα-helixtrans-61-37-171.200000114G1098 L1103 R1104G1098-A1100 PolarHBondContact O-N 3.48Å; A1100-L1103 PolarHBondContact O-N 3.27Å; A1100-R1104 PolarHBondContact O-N 2.85Å
1101Q97Very high96.7Very high162 Ų16277 Ų7776%0.75742%0.42SS*.Hα-helixtrans-66.2-46.2177.5-70.4-177.2-1.800111.7A1099 L1103 R1104 E1105A1099-Q1101 VanDerWaalsContact C-N 3.35Å; A1099-Q1101 PolarHBondContact O-N 3.11Å; Q1101-L1103 VanDerWaalsContact C-N 3.29Å; Q1101-L1103 PolarHBondContact O-N 3.15Å; Q1101-R1104 PolarHBondContact O-N 3.5Å; Q1101-E1105 WeakPolarHBondContact O-CB 3.49Å; Q1101-E1105 PolarHBondContact O-N 3.09Å
1102F97.4Very high96.6Very high80 Ų8073.6 Ų73.635%0.35141%0.407SS..Hα-helixtrans-60.6-42.2175.4177.3-102.6000111Q1094 A1099 R1104 E1105 R1106Q1094-F1102 HydrophobicContact CG-CD1 3.85Å; Q1094-F1102 HydrophobicContact CG-CE1 3.89Å; Q1094-F1102 VanDerWaalsContact OE1-CD1 3.3Å; A1099-F1102 HydrophobicContact CB-CB 4.2Å; A1099-F1102 PolarHBondContact O-N 2.75Å; F1102-R1104 PolarHBondContact O-N 3.18Å; F1102-E1105 WeakPolarHBondContact O-CB 3.2Å; F1102-E1105 PolarHBondContact O-N 3.09Å; F1102-R1106 HydrophobicContact CD1-CG 4.13Å; F1102-R1106 HydrophobicContact CD2-CG 4.22Å; F1102-R1106 HydrophobicContact CE1-CG 3.7Å; F1102-R1106 HydrophobicContact CE2-CG 3.81Å; F1102-R1106 HydrophobicContact CG-CG 4.38Å; F1102-R1106 HydrophobicContact CZ-CG 3.54Å; F1102-R1106 WeakPolarHBondContact O-CG 3.48Å; F1102-R1106 PolarHBondContact O-N 2.94Å
1103L96.9Very high96.5Very high25 Ų2573.6 Ų73.613%0.13141%0.411CS..Hα-helixtrans-61.3-45.7177.3-175.768.4000112.1F1086 R1091 Q1094 I1095 A1099 A1100 Q1101 E1105 R1106 L1107F1086-L1103 HydrophobicContact CE1-CD1 3.81Å; F1086-L1103 HydrophobicContact CZ-CD1 4.08Å; R1091-L1103 HydrophobicContact CB-CD1 4Å; R1091-L1103 HydrophobicContact CG-CD1 3.61Å; R1091-L1103 HydrophobicContact CG-CD2 4.12Å; R1091-L1103 HydrophobicContact CG-CG 4.43Å; Q1094-L1103 HydrophobicContact CB-CB 4.35Å; Q1094-L1103 HydrophobicContact CB-CD1 4.06Å; I1095-L1103 HydrophobicContact CD1-CD2 4.19Å; I1095-L1103 HydrophobicContact CG1-CD2 3.62Å; A1099-L1103 PolarHBondContact O-N 2.61Å; A1100-L1103 PolarHBondContact O-N 3.27Å; Q1101-L1103 VanDerWaalsContact C-N 3.29Å; Q1101-L1103 PolarHBondContact O-N 3.15Å; L1103-E1105 VanDerWaalsContact C-N 3.33Å; L1103-E1105 PolarHBondContact O-N 2.94Å; L1103-R1106 PolarHBondContact O-N 3.28Å; L1103-L1107 HydrophobicContact CD1-CD1 3.87Å; L1103-L1107 HydrophobicContact CD1-CG 4.26Å; L1103-L1107 HydrophobicContact CG-CD1 4.07Å; L1103-L1107 WeakPolarHBondContact O-CB 3.02Å; L1103-L1107 PolarHBondContact O-N 3.44Å
1104R96.9Very high96.5Very high148 Ų14873.8 Ų73.856%0.55840%0.403SS*.Hα-helixtrans-60.1-45.3174.5-169.5-168.977.9-168.83.3110.7A1100 Q1101 F1102 R1106 F1108 E1109A1100-R1104 PolarHBondContact O-N 2.85Å; Q1101-R1104 PolarHBondContact O-N 3.5Å; F1102-R1104 PolarHBondContact O-N 3.18Å; R1104-R1106 PolarHBondContact O-N 2.93Å; R1104-F1108 WeakPolarHBondContact O-CB 3.16Å; R1104-F1108 PolarHBondContact O-N 2.84Å; R1104-E1109 IonicContact CZ-OE1 3.61Å; R1104-E1109 IonicContact NE-OE1 3.51Å; R1104-E1109 IonicContact NH2-OE1 2.9Å; R1104-E1109 PolarHBondContact NH2-OE1 3.15Å
1105E96.6Very high96.3Very high73 Ų7376.3 Ų76.334%0.34142%0.415SS..Iπ-helixtrans-58.4-48.5178.8-169.9-162.5156.100111.5Q1101 F1102 L1103 E1109 A1110Q1101-E1105 WeakPolarHBondContact O-CB 3.49Å; Q1101-E1105 PolarHBondContact O-N 3.09Å; F1102-E1105 WeakPolarHBondContact O-CB 3.2Å; F1102-E1105 PolarHBondContact O-N 3.09Å; L1103-E1105 VanDerWaalsContact C-N 3.33Å; L1103-E1105 PolarHBondContact O-N 2.94Å; E1105-E1109 HydrophobicContact CG-CB 4.32Å; E1105-E1109 PolarHBondContact O-N 3.48Å; E1105-A1110 WeakPolarHBondContact O-CB 3.49Å; E1105-A1110 PolarHBondContact O-N 3.27Å
1106R95.4Very high96.3Very high96 Ų9672.3 Ų72.336%0.36240%0.395SS..Iπ-helixtrans-67-44.9-178.3-66.9-59.896.8-179.85113.1F1102 L1103 R1104F1102-R1106 HydrophobicContact CD1-CG 4.13Å; F1102-R1106 HydrophobicContact CD2-CG 4.22Å; F1102-R1106 HydrophobicContact CE1-CG 3.7Å; F1102-R1106 HydrophobicContact CE2-CG 3.81Å; F1102-R1106 HydrophobicContact CG-CG 4.38Å; F1102-R1106 HydrophobicContact CZ-CG 3.54Å; F1102-R1106 WeakPolarHBondContact O-CG 3.48Å; F1102-R1106 PolarHBondContact O-N 2.94Å; L1103-R1106 PolarHBondContact O-N 3.28Å; R1104-R1106 PolarHBondContact O-N 2.93Å
1107L96.1Very high96.1Very high78 Ų7869.5 Ų69.541%0.40837%0.366SS..Iπ-helixtrans-79.8-22.3-177.2-71.4179.1000113.9F1086 R1091 L1103F1086-L1107 HydrophobicContact CD1-CD2 3.79Å; F1086-L1107 HydrophobicContact CD1-CG 4.37Å; F1086-L1107 HydrophobicContact CE1-CD2 4.19Å; F1086-L1107 HydrophobicContact CE1-CG 4.35Å; R1091-L1107 HydrophobicContact CG-CD1 4.21Å; L1103-L1107 HydrophobicContact CD1-CD1 3.87Å; L1103-L1107 HydrophobicContact CD1-CG 4.26Å; L1103-L1107 HydrophobicContact CG-CD1 4.07Å; L1103-L1107 WeakPolarHBondContact O-CB 3.02Å; L1103-L1107 PolarHBondContact O-N 3.44Å
1108F95.9Very high96Very high24 Ų2462.4 Ų62.411%0.10533%0.333CS..Iπ-helixtrans-119.4-66.2-175.6175.9-126.4000112.6R1104 A1110 S1111 D1112 P1113 R1150 M1151 P1152R1104-F1108 WeakPolarHBondContact O-CB 3.16Å; R1104-F1108 PolarHBondContact O-N 2.84Å; F1108-A1110 PolarHBondContact O-N 3.18Å; F1108-S1111 PolarHBondContact O-N 3.29Å; F1108-D1112 CarbonylContact O-C 3.55Å; F1108-D1112 PolarHBondContact O-N 3.03Å; F1108-P1113 VanDerWaalsContact CE2-CA 3.48Å; F1108-P1113 HydrophobicContact CE2-CB 4.15Å; F1108-P1113 HydrophobicContact CZ-CB 4.21Å; F1108-P1113 WeakPolarHBondContact O-CD 3.12Å; F1108-R1150 HydrophobicContact CE1-CB 4.24Å; F1108-R1150 HydrophobicContact CZ-CB 3.88Å; F1108-M1151 WeakPolarHBondContact CE2-O 3.09Å; F1108-P1152 HydrophobicContact CD2-CB 4.19Å; F1108-P1152 HydrophobicContact CD2-CG 3.74Å; F1108-P1152 HydrophobicContact CE2-CG 4.43Å; F1108-P1152 HydrophobicContact CG-CG 4.49Å
1109E95.4Very high95.9Very high85 Ų8559.6 Ų59.640%0.39730%0.304SS..Iπ-helixtrans-69.2-37.8-168.9-62.7-178.4-161.700113.2R1104 E1105R1104-E1109 IonicContact CZ-OE1 3.61Å; R1104-E1109 IonicContact NE-OE1 3.51Å; R1104-E1109 IonicContact NH2-OE1 2.9Å; R1104-E1109 PolarHBondContact NH2-OE1 3.15Å; E1105-E1109 HydrophobicContact CG-CB 4.32Å; E1105-E1109 PolarHBondContact O-N 3.48Å
1110A94.2Very high95.7Very high52 Ų5260.9 Ų60.943%0.4331%0.306SS..THydrogen-bonded Turntrans-85.1-7.6-177.900000114.2E1105 F1108E1105-A1110 WeakPolarHBondContact O-CB 3.49Å; E1105-A1110 PolarHBondContact O-N 3.27Å; F1108-A1110 PolarHBondContact O-N 3.18Å
1111S93.6Very high95.5Very high32 Ų3262.2 Ų62.222%0.22430%0.303CS..THydrogen-bonded Turntrans-114.6-72.2-175.1169.50000112F1108F1108-S1111 PolarHBondContact O-N 3.29Å
1112D94.7Very high95.3Very high8 Ų855.1 Ų55.14%0.04327%0.271CS..  trans-144.859.5-169.461.8-59.3000112.9Q1073 F1108 Y1114 P1152 Y1153 A1154Q1073-D1112 HydrophobicContact CG-CB 4.08Å; F1108-D1112 CarbonylContact O-C 3.55Å; F1108-D1112 PolarHBondContact O-N 3.03Å; D1112-Y1114 PolarHBondContact O-N 2.92Å; D1112-P1152 WeakPolarHBondContact O-CA 3.44Å; D1112-P1152 WeakPolarHBondContact OD2-CB 3.08Å; D1112-Y1153 PolarHBondContact O-N 3.31Å; D1112-Y1153 VanDerWaalsContact O-N 3.15Å; D1112-Y1153 PolarHBondContact OD2-N 3.41Å; D1112-A1154 PolarHBondContact OD2-N 2.82Å
1113P96.4Very high95Very high69 Ų6951.3 Ų51.345%0.44826%0.255SS..EExtended strand (participates in β ladder)trans-65.2125178.328-33.7000111F1108F1108-P1113 VanDerWaalsContact CE2-CA 3.48Å; F1108-P1113 HydrophobicContact CE2-CB 4.15Å; F1108-P1113 HydrophobicContact CZ-CB 4.21Å; F1108-P1113 WeakPolarHBondContact O-CD 3.12Å
1114Y96.5Very high94.9Very high74 Ų7452.5 Ų52.529%0.2926%0.261SS..EExtended strand (participates in β ladder)trans-138.6157.3179.9-160.9-111.6000112.6D1112 V1116 R1150 M1151 Y1153 K1156D1112-Y1114 PolarHBondContact O-N 2.92Å; Y1114-V1116 HydrophobicContact CD1-CG1 3.71Å; Y1114-V1116 HydrophobicContact CE1-CG1 3.6Å; Y1114-R1150 WeakPolarHBondContact O-CA 3.06Å; Y1114-M1151 CarbonylContact C-O 3.57Å; Y1114-M1151 WeakPolarHBondContact CA-O 3.47Å; Y1114-M1151 WeakPolarHBondContact CB-O 3.47Å; Y1114-M1151 PolarHBondContact N-O 2.84Å; Y1114-M1151 PolarHBondContact O-N 3.35Å; Y1114-Y1153 AromaticContact CD1-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CD1-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CD1-CE2 4.49Å; Y1114-Y1153 AromaticContact CD2-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CD2-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CD2-CE2 4.37Å; Y1114-Y1153 AromaticContact CE1-CD2 3.99Å; Y1114-Y1153 HydrophobicContact CE1-CD2 3.99Å; Y1114-Y1153 HydrophobicContact CE1-CE2 4.2Å; Y1114-Y1153 AromaticContact CE2-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CE2-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CE2-CE2 4.06Å; Y1114-Y1153 AromaticContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CG 4.49Å; Y1114-Y1153 AromaticContact CZ-CD2 3.99Å; Y1114-Y1153 AromaticContact CZ-CE2 3.97Å; Y1114-K1156 HydrophobicContact CD1-CG 4.48Å; Y1114-K1156 HydrophobicContact CE1-CD 4.46Å; Y1114-K1156 HydrophobicContact CE1-CG 4.37Å
1115Q95.3Very high94.9Very high98 Ų9847.9 Ų47.946%0.45825%0.246SC..EExtended strand (participates in β ladder)trans-128130.7-177.1-81.8174.7-1.500109.4L1148 V1149 R1150Q1115-L1148 HydrophobicContact CB-CD1 4.07Å; Q1115-L1148 HydrophobicContact CG-CD1 4.48Å; Q1115-V1149 WeakPolarHBondContact CA-O 3.36Å; Q1115-R1150 HydrophobicContact CG-CG 3.75Å
1116V95.6Very high94.7Very high12 Ų1245.1 Ų45.17%0.07324%0.236CC..EExtended strand (participates in β ladder)trans-130.8149.7177.7-65.70000110.7Y1114 V1118 M1125 V1149 M1151 K1156Y1114-V1116 HydrophobicContact CD1-CG1 3.71Å; Y1114-V1116 HydrophobicContact CE1-CG1 3.6Å; V1116-V1118 HydrophobicContact CG2-CG2 4.1Å; V1116-M1125 HydrophobicContact CB-SD 4.48Å; V1116-M1125 HydrophobicContact CG1-SD 4.16Å; V1116-V1149 HydrophobicContact CG2-CB 4.27Å; V1116-V1149 PolarHBondContact N-O 2.98Å; V1116-V1149 PolarHBondContact O-N 2.88Å; V1116-M1151 HydrophobicContact CG1-SD 4.44Å; V1116-M1151 HydrophobicContact CG2-CG 4.05Å; V1116-M1151 HydrophobicContact CG2-SD 3.54Å; V1116-M1151 VanDerWaalsContact CG2-SD 3.54Å; V1116-K1156 HydrophobicContact CG1-CG 4.01Å
1117H95.2Very high94.6Very high30 Ų3045 Ų4514%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-98131.2173.4-65.776.3000108.7M1125 A1126 A1128 Y1135 I1146 S1147H1117-M1125 CarbonylContact O-C 3.57Å; H1117-M1125 WeakPolarHBondContact O-CA 3.43Å; H1117-A1126 PolarHBondContact O-N 2.94Å; H1117-A1128 HydrophobicContact CB-CB 3.75Å; H1117-A1128 VanDerWaalsContact CG-CB 3.45Å; H1117-A1128 VanDerWaalsContact ND1-CB 3.33Å; H1117-A1128 WeakPolarHBondContact ND1-CB 3.34Å; H1117-Y1135 AromaticContact CD2-CD1 3.92Å; H1117-Y1135 AromaticContact CD2-CE1 3.77Å; H1117-Y1135 AromaticContact NE2-CE1 3.49Å; H1117-Y1135 WeakPolarHBondContact NE2-CE1 3.49Å; H1117-Y1135 AromaticContact NE2-CZ 3.74Å; H1117-I1146 HydrophobicContact CB-CG2 3.73Å; H1117-S1147 CarbonylContact C-O 3.59Å; H1117-S1147 WeakPolarHBondContact CA-O 3.42Å
1118V95.7Very high94.4Very high0 Ų043.1 Ų43.10%024%0.237CC..EExtended strand (participates in β ladder)trans-123.5135.3-174.9-176.90000109.1V1116 N1120 I1146 S1147 V1149 M1171V1116-V1118 HydrophobicContact CG2-CG2 4.1Å; V1118-N1120 PolarHBondContact O-N 3.24Å; V1118-I1146 CarbonylContact O-C 3.59Å; V1118-I1146 WeakPolarHBondContact O-CA 3.32Å; V1118-S1147 PolarHBondContact N-O 3.47Å; V1118-S1147 PolarHBondContact O-N 2.93Å; V1118-V1149 HydrophobicContact CB-CG2 4.45Å; V1118-V1149 HydrophobicContact CG2-CB 4.34Å; V1118-V1149 HydrophobicContact CG2-CG2 4.01Å; V1118-M1171 HydrophobicContact CG1-CB 4.25Å; V1118-M1171 HydrophobicContact CG1-CE 4.27Å; V1118-M1171 HydrophobicContact CG2-CE 3.55Å; V1118-M1171 HydrophobicContact CG2-SD 4.2Å
1119C95.1Very high94.2Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-74.3124175.4-1800000110.3L1121 C1122 G1123 L1124 C1137 N1142C1119-L1121 PolarHBondContact O-N 3.37Å; C1119-C1122 VanDerWaalsContact CB-SG 3.58Å; C1119-C1122 PolarHBondContact O-N 3.29Å; C1119-G1123 WeakPolarHBondContact O-CA 3.4Å; C1119-G1123 PolarHBondContact O-N 3.11Å; C1119-L1124 PolarHBondContact N-O 2.96Å; C1119-C1137 HydrophobicContact CB-CB 3.77Å; C1119-N1142 PolarHBondContact SG-ND2 2.81Å; C1119-N1142 VanDerWaalsContact SG-ND2 3.4Å
1120N93.3Very high94Very high59 Ų5944.8 Ų44.832%0.31625%0.253SS..THydrogen-bonded Turntrans-64.4-23.7-177.8-705.2000113.2V1118 Q1145 S1147 T1173V1118-N1120 PolarHBondContact O-N 3.24Å; N1120-Q1145 HydrophobicContact CB-CB 4.19Å; N1120-Q1145 PolarHBondContact N-O 2.9Å; N1120-Q1145 VanDerWaalsContact N-O 3.07Å; N1120-S1147 VanDerWaalsContact CG-OG 3.28Å; N1120-S1147 PolarHBondContact ND2-OG 3.4Å; N1120-S1147 VanDerWaalsContact ND2-OG 3.15Å; N1120-S1147 VanDerWaalsContact OD1-CB 3.28Å; N1120-S1147 WeakPolarHBondContact OD1-CB 3.26Å; N1120-S1147 PolarHBondContact OD1-N 3.01Å; N1120-S1147 PolarHBondContact OD1-OG 3.49Å; N1120-T1173 PolarHBondContact OD1-OG1 3.37Å
1121L92.8Very high93.9Very high101 Ų10152.9 Ų52.953%0.52927%0.272SS..THydrogen-bonded Turntrans-79.1-45.5-179.1-63176.1000112.9C1119 C1140 N1142C1119-L1121 PolarHBondContact O-N 3.37Å; L1121-C1140 HydrophobicContact CD1-CB 4.19Å; L1121-N1142 HydrophobicContact CD1-CB 4.03Å
1122C91.8Very high93.9Very high14 Ų1454.7 Ų54.710%0.09528%0.282CS..THydrogen-bonded Turntrans-109.7-11.5-172.4680000114.5C1119 L1124 C1140 R1170C1119-C1122 VanDerWaalsContact CB-SG 3.58Å; C1119-C1122 PolarHBondContact O-N 3.29Å; C1122-L1124 PolarHBondContact O-N 3.01Å; C1122-C1140 WeakPolarHBondContact CB-SG 3.46Å; C1122-R1170 VanDerWaalsContact O-CD 3.3Å; C1122-R1170 WeakPolarHBondContact O-CD 3.28Å; C1122-R1170 VanDerWaalsContact O-CG 3.26Å; C1122-R1170 WeakPolarHBondContact O-CG 3.48Å; C1122-R1170 PolarHBondContact O-NH1 3.47Å
1123G92.6Very high93.6Very high0 Ų061.1 Ų61.10%031%0.312CS..  trans67.512.4-179.300000115.4C1119 M1171C1119-G1123 WeakPolarHBondContact O-CA 3.4Å; C1119-G1123 PolarHBondContact O-N 3.11Å; G1123-M1171 WeakPolarHBondContact CA-O 3.5Å; G1123-M1171 PolarHBondContact O-N 3.49Å
1124L94.6Very high93.3Very high50 Ų5061.7 Ų61.726%0.26231%0.314SS..SBendtrans-93.3154.6174.8-58.4176.7000110.6C1119 C1122 A1126 M1163 A1168 R1170C1119-L1124 PolarHBondContact N-O 2.96Å; C1122-L1124 PolarHBondContact O-N 3.01Å; L1124-A1126 PolarHBondContact O-N 3.13Å; L1124-M1163 HydrophobicContact CD2-CE 3.5Å; L1124-M1163 VanDerWaalsContact CD2-CE 3.5Å; L1124-M1163 HydrophobicContact CD2-SD 4.43Å; L1124-A1168 HydrophobicContact CD2-CB 4.48Å; L1124-R1170 HydrophobicContact CD2-CG 4.48Å
1125M95.5Very high93.2Very high50 Ų5061 Ų6125%0.24631%0.312CS..BIsolated β-bridgetrans-63.5125.4176.3-68179.2-80.500110.6V1116 H1117 K1156 F1159 Q1160 M1163 M1171V1116-M1125 HydrophobicContact CB-SD 4.48Å; V1116-M1125 HydrophobicContact CG1-SD 4.16Å; H1117-M1125 CarbonylContact O-C 3.57Å; H1117-M1125 WeakPolarHBondContact O-CA 3.43Å; M1125-K1156 HydrophobicContact CE-CG 4.47Å; M1125-K1156 HydrophobicContact SD-CG 3.81Å; M1125-F1159 HydrophobicContact CE-CB 4.19Å; M1125-Q1160 HydrophobicContact CE-CG 3.9Å; M1125-M1163 HydrophobicContact CE-CE 4.23Å; M1125-M1171 HydrophobicContact CG-CE 4.01Å
1126A93.6Very high93.2Very high16 Ų1659.8 Ų59.813%0.13231%0.306CS..PPolyproline II helixtrans-91160-177.900000111.8H1117 L1124 A1128 C1137 I1146H1117-A1126 PolarHBondContact O-N 2.94Å; L1124-A1126 PolarHBondContact O-N 3.13Å; A1126-A1128 PolarHBondContact O-N 2.88Å; A1126-C1137 HydrophobicContact CB-CB 4.3Å; A1126-I1146 HydrophobicContact CB-CD1 4Å; A1126-I1146 HydrophobicContact CB-CG1 4.39Å; A1126-I1146 HydrophobicContact CB-CG2 4.24Å
1127I93.1Very high93.1Very high93 Ų9359.8 Ų59.848%0.47731%0.306SS..EExtended strand (participates in β ladder)trans-75.8123.2172.2-57.5173.3000107.1E1136 R1138I1127-E1136 WeakPolarHBondContact CB-O 3.31Å; I1127-E1136 PolarHBondContact N-O 3.11Å; I1127-E1136 PolarHBondContact O-N 3.35Å; I1127-R1138 HydrophobicContact CD1-CG 4.05Å
1128A92.5Very high92.9Very high39 Ų3967.4 Ų67.432%0.32233%0.334SS..EExtended strand (participates in β ladder)trans-126.7119.7-177.900000112H1117 A1126 Y1135H1117-A1128 HydrophobicContact CB-CB 3.75Å; H1117-A1128 VanDerWaalsContact CG-CB 3.45Å; H1117-A1128 VanDerWaalsContact ND1-CB 3.33Å; H1117-A1128 WeakPolarHBondContact ND1-CB 3.34Å; A1126-A1128 PolarHBondContact O-N 2.88Å; A1128-Y1135 HydrophobicContact CB-CD1 3.51Å; A1128-Y1135 HydrophobicContact CB-CE1 3.82Å
1129N91.6Very high92.6Very high63 Ų6371.1 Ų71.134%0.33737%0.373SS..EExtended strand (participates in β ladder)trans-111.991.2170-173-8.2000109.1R1131 T1132 H1133 T1134N1129-R1131 PolarHBondContact O-N 3.16Å; N1129-R1131 WeakPolarHBondContact OD1-CB 3.44Å; N1129-R1131 PolarHBondContact OD1-N 3.43Å; N1129-T1132 PolarHBondContact ND2-OG1 3.21Å; N1129-T1132 PolarHBondContact O-N 2.85Å; N1129-H1133 WeakPolarHBondContact O-CA 3.47Å; N1129-H1133 PolarHBondContact O-N 3.27Å; N1129-T1134 PolarHBondContact N-O 2.86Å; N1129-T1134 PolarHBondContact O-N 3.48Å; N1129-T1134 VanDerWaalsContact O-N 3.11Å
1130T90.4Very high92.3Very high81 Ų8173.3 Ų73.350%0.49739%0.387SS..THydrogen-bonded Turntrans-65.4-23.3-179.6-47.90000112.4H1133T1130-H1133 PolarHBondContact O-N 2.81Å
1131R91.8Very high92.2Very high221 Ų22181 Ų8183%0.83441%0.412SS*.THydrogen-bonded Turntrans-69-35.7179.2-169.3-179.469.9176.21.8112.5N1129N1129-R1131 PolarHBondContact O-N 3.16Å; N1129-R1131 WeakPolarHBondContact OD1-CB 3.44Å; N1129-R1131 PolarHBondContact OD1-N 3.43Å
1132T93.3Very high92.2Very high71 Ų7176.8 Ų76.844%0.43639%0.39SS..THydrogen-bonded Turntrans-104.93.7178.253.30000112.4N1129 T1134N1129-T1132 PolarHBondContact ND2-OG1 3.21Å; N1129-T1132 PolarHBondContact O-N 2.85Å; T1132-T1134 PolarHBondContact O-N 3.42Å; T1132-T1134 VanDerWaalsContact O-N 3.13Å; T1132-T1134 PolarHBondContact OG1-OG1 3.3Å
1133H89.1Confident92.1Very high142 Ų14282.5 Ų82.566%0.65741%0.413SS*.THydrogen-bonded Turntrans51.728.9-172.6-62.1-71.7000114.3N1129 T1130N1129-H1133 WeakPolarHBondContact O-CA 3.47Å; N1129-H1133 PolarHBondContact O-N 3.27Å; T1130-H1133 PolarHBondContact O-N 2.81Å
1134T90.5Very high91.9Very high82 Ų8288.4 Ų88.450%0.50345%0.449SS..EExtended strand (participates in β ladder)trans-100.9117.7178.1550000109.9N1129 T1132N1129-T1134 PolarHBondContact N-O 2.86Å; N1129-T1134 PolarHBondContact O-N 3.48Å; N1129-T1134 VanDerWaalsContact O-N 3.11Å; T1132-T1134 PolarHBondContact O-N 3.42Å; T1132-T1134 VanDerWaalsContact O-N 3.13Å; T1132-T1134 PolarHBondContact OG1-OG1 3.3Å
1135Y94.5Very high91.7Very high60 Ų6090.9 Ų90.924%0.23546%0.46CS..EExtended strand (participates in β ladder)trans-117.8131.1177.3-52.1-58.4000108.9H1117 A1128 K1143 I1146H1117-Y1135 AromaticContact CD2-CD1 3.92Å; H1117-Y1135 AromaticContact CD2-CE1 3.77Å; H1117-Y1135 AromaticContact NE2-CE1 3.49Å; H1117-Y1135 WeakPolarHBondContact NE2-CE1 3.49Å; H1117-Y1135 AromaticContact NE2-CZ 3.74Å; A1128-Y1135 HydrophobicContact CB-CD1 3.51Å; A1128-Y1135 HydrophobicContact CB-CE1 3.82Å; Y1135-K1143 WeakPolarHBondContact O-CA 3.33Å; Y1135-I1146 VanDerWaalsContact C-CD1 3.48Å; Y1135-I1146 VanDerWaalsContact CB-CD1 3.44Å
1136E93.9Very high91.6Very high71 Ų7189.9 Ų89.933%0.33246%0.455SS..EExtended strand (participates in β ladder)trans-146.8132-177.5-178.9173.5-150.200111.8I1127 K1143I1127-E1136 WeakPolarHBondContact CB-O 3.31Å; I1127-E1136 PolarHBondContact N-O 3.11Å; I1127-E1136 PolarHBondContact O-N 3.35Å; E1136-K1143 HydrophobicContact CB-CG 4.37Å; E1136-K1143 HydrophobicContact CG-CG 4.16Å; E1136-K1143 WeakPolarHBondContact OE1-CE 3.4Å; E1136-K1143 IonicContact OE1-NZ 3.57Å
1137C93.3Very high91.7Very high13 Ų1390.5 Ų90.59%0.08846%0.458CS..BIsolated β-bridgetrans-103.7105.6166.2177.70000109.6C1119 A1126 G1139 C1140 R1141 N1142C1119-C1137 HydrophobicContact CB-CB 3.77Å; A1126-C1137 HydrophobicContact CB-CB 4.3Å; C1137-G1139 VanDerWaalsContact C-N 3.34Å; C1137-G1139 PolarHBondContact O-N 2.97Å; C1137-C1140 HydrophobicContact CB-CB 4.49Å; C1137-C1140 PolarHBondContact O-N 3.04Å; C1137-R1141 WeakPolarHBondContact O-CA 3.37Å; C1137-R1141 PolarHBondContact O-N 3.39Å; C1137-N1142 PolarHBondContact N-O 2.96Å; C1137-N1142 PolarHBondContact O-N 3.44Å
1138R92.3Very high91.7Very high189 Ų18990.7 Ų90.771%0.71346%0.46SS*.THydrogen-bonded Turntrans-59.3-40.4-177.1-68.6-175.3176.7-179.3-0.1113.4I1127 C1140 R1141I1127-R1138 HydrophobicContact CD1-CG 4.05Å; R1138-C1140 VanDerWaalsContact C-N 3.32Å; R1138-C1140 PolarHBondContact O-N 3.16Å; R1138-R1141 PolarHBondContact O-N 3.31Å
1139G88.4Confident91.9Very high79 Ų7990.3 Ų90.381%0.81445%0.454SS*.THydrogen-bonded Turntrans-66.6-30.5-178.400000114.1C1137C1137-G1139 VanDerWaalsContact C-N 3.34Å; C1137-G1139 PolarHBondContact O-N 2.97Å
1140C90.1Very high92.1Very high46 Ų4695 Ų9531%0.31147%0.466SS..THydrogen-bonded Turntrans-103.8-6.7179-59.20000113.3L1121 C1122 C1137 R1138 N1142L1121-C1140 HydrophobicContact CD1-CB 4.19Å; C1122-C1140 WeakPolarHBondContact CB-SG 3.46Å; C1137-C1140 HydrophobicContact CB-CB 4.49Å; C1137-C1140 PolarHBondContact O-N 3.04Å; R1138-C1140 VanDerWaalsContact C-N 3.32Å; R1138-C1140 PolarHBondContact O-N 3.16Å; C1140-N1142 HydrophobicContact CB-CB 4.01Å; C1140-N1142 PolarHBondContact O-N 3.24Å; C1140-N1142 VanDerWaalsContact O-N 3.11Å
1141R91.4Very high92.3Very high221 Ų22191.8 Ų91.883%0.83445%0.446SS*.THydrogen-bonded Turntrans50.529.8-168.5-53.7-179-170.7-1772.5113.1C1137 R1138C1137-R1141 WeakPolarHBondContact O-CA 3.37Å; C1137-R1141 PolarHBondContact O-N 3.39Å; R1138-R1141 PolarHBondContact O-N 3.31Å
1142N90.9Very high92.6Very high12 Ų1283.2 Ų83.26%0.06442%0.419CS..BIsolated β-bridgetrans-93.5129.1-178.1175.821.6000109.7C1119 L1121 C1137 C1140 T1144 Q1145C1119-N1142 PolarHBondContact SG-ND2 2.81Å; C1119-N1142 VanDerWaalsContact SG-ND2 3.4Å; L1121-N1142 HydrophobicContact CD1-CB 4.03Å; C1137-N1142 PolarHBondContact N-O 2.96Å; C1137-N1142 PolarHBondContact O-N 3.44Å; C1140-N1142 HydrophobicContact CB-CB 4.01Å; C1140-N1142 PolarHBondContact O-N 3.24Å; C1140-N1142 VanDerWaalsContact O-N 3.11Å; N1142-T1144 PolarHBondContact OD1-N 3.21Å; N1142-T1144 VanDerWaalsContact OD1-N 3.14Å; N1142-Q1145 WeakPolarHBondContact ND2-CB 3.3Å; N1142-Q1145 PolarHBondContact ND2-O 3.22Å; N1142-Q1145 PolarHBondContact OD1-N 3.47Å
1143K90Very high92.8Very high134 Ų13481.1 Ų81.158%0.58340%0.403SS*.SBendtrans-119.3-9.7-179.2-63-174.8178.7-174.40113.9Y1135 E1136Y1135-K1143 WeakPolarHBondContact O-CA 3.33Å; E1136-K1143 HydrophobicContact CB-CG 4.37Å; E1136-K1143 HydrophobicContact CG-CG 4.16Å; E1136-K1143 WeakPolarHBondContact OE1-CE 3.4Å; E1136-K1143 IonicContact OE1-NZ 3.57Å
1144T88.8Confident93.1Very high124 Ų12476 Ų7676%0.76139%0.386SS*.SBendtrans-114.2-45.1-171.451.30000112.3N1142 I1146N1142-T1144 PolarHBondContact OD1-N 3.21Å; N1142-T1144 VanDerWaalsContact OD1-N 3.14Å; T1144-I1146 PolarHBondContact O-N 3.02Å; T1144-I1146 VanDerWaalsContact O-N 3.08Å
1145Q91.4Very high93.4Very high102 Ų10274.1 Ų74.148%0.47738%0.375SS..  trans-89.472.2-174.6-58.2176.7-7.800111.6N1120 N1142N1120-Q1145 HydrophobicContact CB-CB 4.19Å; N1120-Q1145 PolarHBondContact N-O 2.9Å; N1120-Q1145 VanDerWaalsContact N-O 3.07Å; N1142-Q1145 WeakPolarHBondContact ND2-CB 3.3Å; N1142-Q1145 PolarHBondContact ND2-O 3.22Å; N1142-Q1145 PolarHBondContact OD1-N 3.47Å
1146I93.2Very high93.6Very high28 Ų2872.4 Ų72.414%0.14437%0.369CS..EExtended strand (participates in β ladder)trans-125.3122.8179.6-66.2173.3000108.9H1117 V1118 A1126 Y1135 T1144H1117-I1146 HydrophobicContact CB-CG2 3.73Å; V1118-I1146 CarbonylContact O-C 3.59Å; V1118-I1146 WeakPolarHBondContact O-CA 3.32Å; A1126-I1146 HydrophobicContact CB-CD1 4Å; A1126-I1146 HydrophobicContact CB-CG1 4.39Å; A1126-I1146 HydrophobicContact CB-CG2 4.24Å; Y1135-I1146 VanDerWaalsContact C-CD1 3.48Å; Y1135-I1146 VanDerWaalsContact CB-CD1 3.44Å; T1144-I1146 PolarHBondContact O-N 3.02Å; T1144-I1146 VanDerWaalsContact O-N 3.08Å
1147S94.2Very high93.7Very high30 Ų3070.8 Ų70.821%0.2136%0.362CS..EExtended strand (participates in β ladder)trans-99.4144.5-179.9-61.30000111.8H1117 V1118 N1120 T1173H1117-S1147 CarbonylContact C-O 3.59Å; H1117-S1147 WeakPolarHBondContact CA-O 3.42Å; V1118-S1147 PolarHBondContact N-O 3.47Å; V1118-S1147 PolarHBondContact O-N 2.93Å; N1120-S1147 VanDerWaalsContact CG-OG 3.28Å; N1120-S1147 PolarHBondContact ND2-OG 3.4Å; N1120-S1147 VanDerWaalsContact ND2-OG 3.15Å; N1120-S1147 VanDerWaalsContact OD1-CB 3.28Å; N1120-S1147 WeakPolarHBondContact OD1-CB 3.26Å; N1120-S1147 PolarHBondContact OD1-N 3.01Å; N1120-S1147 PolarHBondContact OD1-OG 3.49Å; S1147-T1173 PolarHBondContact OG-OG1 2.94Å
1148L94.8Very high93.9Very high97 Ų9774.7 Ų74.751%0.50838%0.382SS..EExtended strand (participates in β ladder)trans-89.5121.8172.1-178.866.5000109.7Q1115Q1115-L1148 HydrophobicContact CB-CD1 4.07Å; Q1115-L1148 HydrophobicContact CG-CD1 4.48Å
1149V95.3Very high94.2Very high31 Ų3167.4 Ų67.419%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-116.8137.1179.1-179.80000109.9Q1115 V1116 V1118 T1173Q1115-V1149 WeakPolarHBondContact CA-O 3.36Å; V1116-V1149 HydrophobicContact CG2-CB 4.27Å; V1116-V1149 PolarHBondContact N-O 2.98Å; V1116-V1149 PolarHBondContact O-N 2.88Å; V1118-V1149 HydrophobicContact CB-CG2 4.45Å; V1118-V1149 HydrophobicContact CG2-CB 4.34Å; V1118-V1149 HydrophobicContact CG2-CG2 4.01Å; V1149-T1173 HydrophobicContact CG2-CG2 3.69Å
1150R96.1Very high94.6Very high160 Ų16067.7 Ų67.760%0.60434%0.336SS*.EExtended strand (participates in β ladder)trans-95.8121.8171.6-71.9-176103.9175.73.6109.1F1108 Y1114 Q1115F1108-R1150 HydrophobicContact CE1-CB 4.24Å; F1108-R1150 HydrophobicContact CZ-CB 3.88Å; Y1114-R1150 WeakPolarHBondContact O-CA 3.06Å; Q1115-R1150 HydrophobicContact CG-CG 3.75Å
1151M95.6Very high94.9Very high14 Ų1470.5 Ų70.57%0.06934%0.344CS..EExtended strand (participates in β ladder)trans-148.4154.7178.767.6-175.1-56.900110F1108 Y1114 V1116 C1155 K1156 F1159 M1171F1108-M1151 WeakPolarHBondContact CE2-O 3.09Å; Y1114-M1151 CarbonylContact C-O 3.57Å; Y1114-M1151 WeakPolarHBondContact CA-O 3.47Å; Y1114-M1151 WeakPolarHBondContact CB-O 3.47Å; Y1114-M1151 PolarHBondContact N-O 2.84Å; Y1114-M1151 PolarHBondContact O-N 3.35Å; V1116-M1151 HydrophobicContact CG1-SD 4.44Å; V1116-M1151 HydrophobicContact CG2-CG 4.05Å; V1116-M1151 HydrophobicContact CG2-SD 3.54Å; V1116-M1151 VanDerWaalsContact CG2-SD 3.54Å; M1151-C1155 HydrophobicContact CE-CB 3.67Å; M1151-C1155 WeakPolarHBondContact CE-SG 3.33Å; M1151-K1156 HydrophobicContact CE-CB 4.36Å; M1151-K1156 HydrophobicContact SD-CB 4.16Å; M1151-F1159 HydrophobicContact CE-CD2 3.74Å; M1151-F1159 HydrophobicContact CE-CE2 3.55Å; M1151-F1159 HydrophobicContact CE-CZ 4.37Å; M1151-M1171 HydrophobicContact CE-SD 4.4Å; M1151-M1171 HydrophobicContact SD-SD 4.1Å
1152P97.3Very high95.2Very high41 Ų4162 Ų6227%0.26632%0.315SS..EExtended strand (participates in β ladder)trans-57.4142.9174-21.230.7000111.3F1108 D1112 A1154 C1155 K1156F1108-P1152 HydrophobicContact CD2-CB 4.19Å; F1108-P1152 HydrophobicContact CD2-CG 3.74Å; F1108-P1152 HydrophobicContact CE2-CG 4.43Å; F1108-P1152 HydrophobicContact CG-CG 4.49Å; D1112-P1152 WeakPolarHBondContact O-CA 3.44Å; D1112-P1152 WeakPolarHBondContact OD2-CB 3.08Å; P1152-A1154 PolarHBondContact O-N 2.91Å; P1152-C1155 HydrophobicContact CB-CB 4.2Å; P1152-C1155 HydrophobicContact CG-CB 4.39Å; P1152-C1155 WeakPolarHBondContact O-CB 3.34Å; P1152-C1155 PolarHBondContact O-N 3.37Å; P1152-K1156 PolarHBondContact O-N 2.86Å; P1152-K1156 VanDerWaalsContact O-N 3.09Å
1153Y97.2Very high95.5Very high27 Ų2764.3 Ų64.311%0.10633%0.326CS..Hα-helixtrans-60-37.2175.4-170.5-89.3000111.3L1070 N1071 R1072 D1112 Y1114 C1155 K1156 L1157L1070-Y1153 WeakPolarHBondContact O-CE1 3.37Å; N1071-Y1153 VanDerWaalsContact O-CD1 3.25Å; N1071-Y1153 WeakPolarHBondContact O-CD1 3.42Å; R1072-Y1153 HydrophobicContact CB-CD1 4.12Å; R1072-Y1153 HydrophobicContact CB-CG 4.2Å; R1072-Y1153 HydrophobicContact CG-CD1 3.99Å; R1072-Y1153 HydrophobicContact CG-CD2 4.43Å; R1072-Y1153 HydrophobicContact CG-CE1 3.99Å; R1072-Y1153 HydrophobicContact CG-CE2 4.41Å; R1072-Y1153 HydrophobicContact CG-CG 4.21Å; D1112-Y1153 PolarHBondContact O-N 3.31Å; D1112-Y1153 VanDerWaalsContact O-N 3.15Å; D1112-Y1153 PolarHBondContact OD2-N 3.41Å; Y1114-Y1153 AromaticContact CD1-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CD1-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CD1-CE2 4.49Å; Y1114-Y1153 AromaticContact CD2-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CD2-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CD2-CE2 4.37Å; Y1114-Y1153 AromaticContact CE1-CD2 3.99Å; Y1114-Y1153 HydrophobicContact CE1-CD2 3.99Å; Y1114-Y1153 HydrophobicContact CE1-CE2 4.2Å; Y1114-Y1153 AromaticContact CE2-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CE2-CD2 3.83Å; Y1114-Y1153 HydrophobicContact CE2-CE2 4.06Å; Y1114-Y1153 AromaticContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CG 4.49Å; Y1114-Y1153 AromaticContact CZ-CD2 3.99Å; Y1114-Y1153 AromaticContact CZ-CE2 3.97Å; Y1153-C1155 VanDerWaalsContact C-N 3.26Å; Y1153-C1155 PolarHBondContact O-N 3.49Å; Y1153-K1156 HydrophobicContact CD2-CD 4.38Å; Y1153-K1156 HydrophobicContact CE2-CD 4.11Å; Y1153-K1156 WeakPolarHBondContact O-CB 3.28Å; Y1153-K1156 PolarHBondContact O-N 3.08Å; Y1153-K1156 VanDerWaalsContact O-N 3.14Å; Y1153-L1157 PolarHBondContact O-N 3.45Å
1154A96.8Very high95.8Very high35 Ų3562 Ų6229%0.28933%0.327SS..Hα-helixtrans-58.7-37.6175.200000112.3D1112 P1152 L1157 L1158D1112-A1154 PolarHBondContact OD2-N 2.82Å; P1152-A1154 PolarHBondContact O-N 2.91Å; A1154-L1157 PolarHBondContact O-N 2.83Å; A1154-L1158 PolarHBondContact O-N 2.89Å
1155C96.9Very high96.2Very high42 Ų4261.5 Ų61.528%0.28432%0.317SS..Hα-helixtrans-71-38.2176.2-172.70000111.7M1151 P1152 Y1153 L1157 L1158 F1159M1151-C1155 HydrophobicContact CE-CB 3.67Å; M1151-C1155 WeakPolarHBondContact CE-SG 3.33Å; P1152-C1155 HydrophobicContact CB-CB 4.2Å; P1152-C1155 HydrophobicContact CG-CB 4.39Å; P1152-C1155 WeakPolarHBondContact O-CB 3.34Å; P1152-C1155 PolarHBondContact O-N 3.37Å; Y1153-C1155 VanDerWaalsContact C-N 3.26Å; Y1153-C1155 PolarHBondContact O-N 3.49Å; C1155-L1157 VanDerWaalsContact C-N 3.31Å; C1155-L1157 PolarHBondContact O-N 3.17Å; C1155-L1158 WeakPolarHBondContact O-CB 3.43Å; C1155-L1158 PolarHBondContact O-N 3.14Å; C1155-F1159 PolarHBondContact O-N 3.28Å
1156K96.8Very high96.5Very high24 Ų2462 Ų6210%0.10433%0.332CS..Hα-helixtrans-60.4-41.6172.1171.9-92.1-175.2-174.50111.3Y1114 V1116 M1125 M1151 P1152 Y1153 F1159 Q1160Y1114-K1156 HydrophobicContact CD1-CG 4.48Å; Y1114-K1156 HydrophobicContact CE1-CD 4.46Å; Y1114-K1156 HydrophobicContact CE1-CG 4.37Å; V1116-K1156 HydrophobicContact CG1-CG 4.01Å; M1125-K1156 HydrophobicContact CE-CG 4.47Å; M1125-K1156 HydrophobicContact SD-CG 3.81Å; M1151-K1156 HydrophobicContact CE-CB 4.36Å; M1151-K1156 HydrophobicContact SD-CB 4.16Å; P1152-K1156 PolarHBondContact O-N 2.86Å; P1152-K1156 VanDerWaalsContact O-N 3.09Å; Y1153-K1156 HydrophobicContact CD2-CD 4.38Å; Y1153-K1156 HydrophobicContact CE2-CD 4.11Å; Y1153-K1156 WeakPolarHBondContact O-CB 3.28Å; Y1153-K1156 PolarHBondContact O-N 3.08Å; Y1153-K1156 VanDerWaalsContact O-N 3.14Å; K1156-F1159 PolarHBondContact O-N 2.87Å; K1156-Q1160 VanDerWaalsContact CE-OE1 3.3Å; K1156-Q1160 VanDerWaalsContact NZ-CD 3.33Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.33Å; K1156-Q1160 PolarHBondContact O-N 3.07Å
1157L97.5Very high96.7Very high37 Ų3765.1 Ų65.119%0.19435%0.348CS..Hα-helixtrans-63.6-45.1176.5-175.763.6000110.9Y1153 A1154 C1155 F1159 Q1160 E1161Y1153-L1157 PolarHBondContact O-N 3.45Å; A1154-L1157 PolarHBondContact O-N 2.83Å; C1155-L1157 VanDerWaalsContact C-N 3.31Å; C1155-L1157 PolarHBondContact O-N 3.17Å; L1157-F1159 VanDerWaalsContact C-N 3.27Å; L1157-F1159 PolarHBondContact O-N 3.4Å; L1157-Q1160 WeakPolarHBondContact O-CA 3.45Å; L1157-Q1160 WeakPolarHBondContact O-CB 3.43Å; L1157-Q1160 PolarHBondContact O-N 3.01Å; L1157-E1161 WeakPolarHBondContact O-CG 3.22Å; L1157-E1161 PolarHBondContact O-N 3.45Å
1158L97.4Very high96.7Very high95 Ų9566.1 Ų66.150%0.49736%0.358SS..Hα-helixtrans-54-43.3174.6176.664.3000112.2A1154 C1155 Q1160 E1161 L1162A1154-L1158 PolarHBondContact O-N 2.89Å; C1155-L1158 WeakPolarHBondContact O-CB 3.43Å; C1155-L1158 PolarHBondContact O-N 3.14Å; L1158-Q1160 VanDerWaalsContact C-N 3.34Å; L1158-Q1160 PolarHBondContact O-N 3.11Å; L1158-E1161 PolarHBondContact O-N 3.01Å; L1158-L1162 HydrophobicContact CD1-CG 4.39Å; L1158-L1162 HydrophobicContact CG-CD1 4.33Å; L1158-L1162 WeakPolarHBondContact O-CG 3.46Å; L1158-L1162 PolarHBondContact O-N 2.88Å
1159F97.2Very high96.7Very high37 Ų3762.5 Ų62.516%0.16234%0.341CS..Hα-helixtrans-65-36176.2-71.7-9.8000113.2M1125 M1151 C1155 K1156 L1157 L1162 M1163 P1169 M1171M1125-F1159 HydrophobicContact CE-CB 4.19Å; M1151-F1159 HydrophobicContact CE-CD2 3.74Å; M1151-F1159 HydrophobicContact CE-CE2 3.55Å; M1151-F1159 HydrophobicContact CE-CZ 4.37Å; C1155-F1159 PolarHBondContact O-N 3.28Å; K1156-F1159 PolarHBondContact O-N 2.87Å; L1157-F1159 VanDerWaalsContact C-N 3.27Å; L1157-F1159 PolarHBondContact O-N 3.4Å; F1159-L1162 HydrophobicContact CD1-CD1 4.24Å; F1159-L1162 PolarHBondContact O-N 2.96Å; F1159-M1163 WeakPolarHBondContact O-CB 3.34Å; F1159-M1163 WeakPolarHBondContact O-CG 3.43Å; F1159-M1163 PolarHBondContact O-N 3.17Å; F1159-P1169 HydrophobicContact CB-CG 3.96Å; F1159-P1169 HydrophobicContact CD1-CB 3.86Å; F1159-P1169 HydrophobicContact CD1-CG 3.71Å; F1159-P1169 HydrophobicContact CE1-CB 4.01Å; F1159-P1169 HydrophobicContact CE1-CG 4.37Å; F1159-P1169 HydrophobicContact CG-CB 4.33Å; F1159-P1169 HydrophobicContact CG-CG 3.87Å; F1159-M1171 HydrophobicContact CD2-CE 3.9Å; F1159-M1171 HydrophobicContact CD2-CG 4.42Å; F1159-M1171 HydrophobicContact CD2-SD 4.04Å; F1159-M1171 HydrophobicContact CE2-CE 3.94Å; F1159-M1171 HydrophobicContact CE2-CG 3.61Å; F1159-M1171 HydrophobicContact CE2-SD 3.47Å; F1159-M1171 WeakPolarHBondContact CE2-SD 3.44Å; F1159-M1171 HydrophobicContact CZ-CG 4.26Å
1160Q96.8Very high96.7Very high84 Ų8467.7 Ų67.739%0.39336%0.357SS..Hα-helixtrans-67.1-40.6173.9-65.4-175.2-56.800111.9M1125 K1156 L1157 L1158 M1163 S1164M1125-Q1160 HydrophobicContact CE-CG 3.9Å; K1156-Q1160 VanDerWaalsContact CE-OE1 3.3Å; K1156-Q1160 VanDerWaalsContact NZ-CD 3.33Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.33Å; K1156-Q1160 PolarHBondContact O-N 3.07Å; L1157-Q1160 WeakPolarHBondContact O-CA 3.45Å; L1157-Q1160 WeakPolarHBondContact O-CB 3.43Å; L1157-Q1160 PolarHBondContact O-N 3.01Å; L1158-Q1160 VanDerWaalsContact C-N 3.34Å; L1158-Q1160 PolarHBondContact O-N 3.11Å; Q1160-M1163 PolarHBondContact O-N 3.44Å; Q1160-S1164 PolarHBondContact O-N 3.02Å
1161E97.6Very high96.6Very high105 Ų10561.6 Ų61.649%0.49134%0.335SS..Hα-helixtrans-63.1-43.8175-66.5-61.4157.900111.3L1157 L1158 M1163 S1164 M1165L1157-E1161 WeakPolarHBondContact O-CG 3.22Å; L1157-E1161 PolarHBondContact O-N 3.45Å; L1158-E1161 PolarHBondContact O-N 3.01Å; E1161-M1163 PolarHBondContact O-N 3.26Å; E1161-S1164 WeakPolarHBondContact O-CB 3.37Å; E1161-S1164 PolarHBondContact O-N 3.3Å; E1161-S1164 PolarHBondContact O-OG 2.9Å; E1161-M1165 PolarHBondContact O-N 3.21Å
1162L97.7Very high96.5Very high43 Ų4368 Ų6823%0.22537%0.367CS..Hα-helixtrans-60.8-44.8173.8-70175.5000111.8L1158 F1159 S1164 M1165 S1166 I1167 P1169L1158-L1162 HydrophobicContact CD1-CG 4.39Å; L1158-L1162 HydrophobicContact CG-CD1 4.33Å; L1158-L1162 WeakPolarHBondContact O-CG 3.46Å; L1158-L1162 PolarHBondContact O-N 2.88Å; F1159-L1162 HydrophobicContact CD1-CD1 4.24Å; F1159-L1162 PolarHBondContact O-N 2.96Å; L1162-S1164 VanDerWaalsContact C-N 3.28Å; L1162-S1164 PolarHBondContact O-N 3.28Å; L1162-M1165 HydrophobicContact CD2-CE 3.7Å; L1162-M1165 CarbonylContact O-C 3.42Å; L1162-M1165 WeakPolarHBondContact O-CA 3.47Å; L1162-M1165 WeakPolarHBondContact O-CB 3.35Å; L1162-M1165 PolarHBondContact O-N 3.28Å; L1162-M1165 VanDerWaalsContact O-N 3.08Å; L1162-S1166 PolarHBondContact O-N 3.44Å; L1162-I1167 CarbonylContact C-O 3.52Å; L1162-I1167 HydrophobicContact CB-CB 4.3Å; L1162-I1167 HydrophobicContact CB-CG2 4.48Å; L1162-I1167 HydrophobicContact CD2-CD1 4.3Å; L1162-I1167 WeakPolarHBondContact O-CB 3.49Å; L1162-I1167 PolarHBondContact O-N 3.42Å; L1162-P1169 HydrophobicContact CB-CG 4.11Å; L1162-P1169 HydrophobicContact CD1-CB 4.29Å; L1162-P1169 HydrophobicContact CD1-CG 4.12Å
1163M96.1Very high95.9Very high61 Ų6168.4 Ų68.430%0.337%0.369SS..Hα-helixtrans-62.1-35.3175.9-71.8177.1-165.100112.3L1124 M1125 F1159 Q1160 E1161 M1165 S1166 I1167 P1169L1124-M1163 HydrophobicContact CD2-CE 3.5Å; L1124-M1163 VanDerWaalsContact CD2-CE 3.5Å; L1124-M1163 HydrophobicContact CD2-SD 4.43Å; M1125-M1163 HydrophobicContact CE-CE 4.23Å; F1159-M1163 WeakPolarHBondContact O-CB 3.34Å; F1159-M1163 WeakPolarHBondContact O-CG 3.43Å; F1159-M1163 PolarHBondContact O-N 3.17Å; Q1160-M1163 PolarHBondContact O-N 3.44Å; E1161-M1163 PolarHBondContact O-N 3.26Å; M1163-M1165 PolarHBondContact O-N 2.6Å; M1163-S1166 WeakPolarHBondContact O-CA 2.99Å; M1163-S1166 PolarHBondContact O-N 3.25Å; M1163-I1167 WeakPolarHBondContact CA-O 3.4Å; M1163-I1167 PolarHBondContact N-O 3.43Å; M1163-P1169 HydrophobicContact CE-CG 4.1Å; M1163-P1169 HydrophobicContact CG-CG 4.48Å
1164S97.4Very high94.6Very high84 Ų8476.4 Ų76.459%0.58743%0.429SS*.Hα-helixtrans-63.8-31.8174.8840000112.3Q1160 E1161 L1162 S1166Q1160-S1164 PolarHBondContact O-N 3.02Å; E1161-S1164 WeakPolarHBondContact O-CB 3.37Å; E1161-S1164 PolarHBondContact O-N 3.3Å; E1161-S1164 PolarHBondContact O-OG 2.9Å; L1162-S1164 VanDerWaalsContact C-N 3.28Å; L1162-S1164 PolarHBondContact O-N 3.28Å; S1164-S1166 PolarHBondContact O-N 2.98Å
1165M97.3Very high94.4Very high115 Ų11578.5 Ų78.557%0.56744%0.436SS*.THydrogen-bonded Turntrans-81.411.2171.5-62.8-173.8-71.200113.1E1161 L1162 M1163 I1167E1161-M1165 PolarHBondContact O-N 3.21Å; L1162-M1165 HydrophobicContact CD2-CE 3.7Å; L1162-M1165 CarbonylContact O-C 3.42Å; L1162-M1165 WeakPolarHBondContact O-CA 3.47Å; L1162-M1165 WeakPolarHBondContact O-CB 3.35Å; L1162-M1165 PolarHBondContact O-N 3.28Å; L1162-M1165 VanDerWaalsContact O-N 3.08Å; M1163-M1165 PolarHBondContact O-N 2.6Å; M1165-I1167 HydrophobicContact CB-CG1 4.49Å; M1165-I1167 PolarHBondContact O-N 3.15Å
1166S96.8Very high94.3Very high113 Ų11380.4 Ų80.479%0.7944%0.444SS*.THydrogen-bonded Turntrans63.115.2-175.5-53.50000114.8L1162 M1163 S1164L1162-S1166 PolarHBondContact O-N 3.44Å; M1163-S1166 WeakPolarHBondContact O-CA 2.99Å; M1163-S1166 PolarHBondContact O-N 3.25Å; S1164-S1166 PolarHBondContact O-N 2.98Å
1167I97.1Very high94.2Very high92 Ų9283.5 Ų83.547%0.47246%0.462SS..  trans-88121.8170-59.5173.8000107.1L1162 M1163 M1165 P1169L1162-I1167 CarbonylContact C-O 3.52Å; L1162-I1167 HydrophobicContact CB-CB 4.3Å; L1162-I1167 HydrophobicContact CB-CG2 4.48Å; L1162-I1167 HydrophobicContact CD2-CD1 4.3Å; L1162-I1167 WeakPolarHBondContact O-CB 3.49Å; L1162-I1167 PolarHBondContact O-N 3.42Å; M1163-I1167 WeakPolarHBondContact CA-O 3.4Å; M1163-I1167 PolarHBondContact N-O 3.43Å; M1165-I1167 HydrophobicContact CB-CG1 4.49Å; M1165-I1167 PolarHBondContact O-N 3.15Å; I1167-P1169 WeakPolarHBondContact O-CD 3.49Å
1168A95.3Very high94Very high52 Ų5286.2 Ų86.243%0.4348%0.478SS..  trans-99.289.6-178.700000111.4L1124 R1170L1124-A1168 HydrophobicContact CD2-CB 4.48Å; A1168-R1170 PolarHBondContact O-N 2.92Å
1169P95.3Very high93.8Very high21 Ų2185.7 Ų85.714%0.13648%0.477CS..  trans-70.9117.3173.330.3-35.1000109.6F1159 L1162 M1163 I1167F1159-P1169 HydrophobicContact CB-CG 3.96Å; F1159-P1169 HydrophobicContact CD1-CB 3.86Å; F1159-P1169 HydrophobicContact CD1-CG 3.71Å; F1159-P1169 HydrophobicContact CE1-CB 4.01Å; F1159-P1169 HydrophobicContact CE1-CG 4.37Å; F1159-P1169 HydrophobicContact CG-CB 4.33Å; F1159-P1169 HydrophobicContact CG-CG 3.87Å; L1162-P1169 HydrophobicContact CB-CG 4.11Å; L1162-P1169 HydrophobicContact CD1-CB 4.29Å; L1162-P1169 HydrophobicContact CD1-CG 4.12Å; M1163-P1169 HydrophobicContact CE-CG 4.1Å; M1163-P1169 HydrophobicContact CG-CG 4.48Å; I1167-P1169 WeakPolarHBondContact O-CD 3.49Å
1170R94.5Very high93.5Very high139 Ų13988.9 Ų88.953%0.52550%0.498SS..  trans-104.6119.3-177.6-59.6-179-174.7-91.44.2110.3C1122 L1124 A1168C1122-R1170 VanDerWaalsContact O-CD 3.3Å; C1122-R1170 WeakPolarHBondContact O-CD 3.28Å; C1122-R1170 VanDerWaalsContact O-CG 3.26Å; C1122-R1170 WeakPolarHBondContact O-CG 3.48Å; C1122-R1170 PolarHBondContact O-NH1 3.47Å; L1124-R1170 HydrophobicContact CD2-CG 4.48Å; A1168-R1170 PolarHBondContact O-N 2.92Å
1171M94.4Very high93.3Very high32 Ų3289.3 Ų89.316%0.15851%0.505CS..  trans-90.6121.4172.5-64.5171.9-81.800109.5V1118 G1123 M1125 M1151 F1159V1118-M1171 HydrophobicContact CG1-CB 4.25Å; V1118-M1171 HydrophobicContact CG1-CE 4.27Å; V1118-M1171 HydrophobicContact CG2-CE 3.55Å; V1118-M1171 HydrophobicContact CG2-SD 4.2Å; G1123-M1171 WeakPolarHBondContact CA-O 3.5Å; G1123-M1171 PolarHBondContact O-N 3.49Å; M1125-M1171 HydrophobicContact CG-CE 4.01Å; M1151-M1171 HydrophobicContact CE-SD 4.4Å; M1151-M1171 HydrophobicContact SD-SD 4.1Å; F1159-M1171 HydrophobicContact CD2-CE 3.9Å; F1159-M1171 HydrophobicContact CD2-CG 4.42Å; F1159-M1171 HydrophobicContact CD2-SD 4.04Å; F1159-M1171 HydrophobicContact CE2-CE 3.94Å; F1159-M1171 HydrophobicContact CE2-CG 3.61Å; F1159-M1171 HydrophobicContact CE2-SD 3.47Å; F1159-M1171 WeakPolarHBondContact CE2-SD 3.44Å; F1159-M1171 HydrophobicContact CZ-CG 4.26Å
1172M92.4Very high93Very high150 Ų15088.1 Ų88.174%0.73951%0.507SS*.  trans-106.7128.1175-65.1-172.4177.500109.8
1173T85.8Confident92.6Very high49 Ų4991.8 Ų91.830%0.30153%0.53SS..  trans-103.4125.7170.351.30000107.6N1120 S1147 V1149N1120-T1173 PolarHBondContact OD1-OG1 3.37Å; S1147-T1173 PolarHBondContact OG-OG1 2.94Å; V1149-T1173 HydrophobicContact CG2-CG2 3.69Å
1174S68.5Low92.3Very high194 Ų19494.6 Ų94.6100%1.35755%0.551SS**  trans-64.10176.357.30000112.4

Retrieved 1,174 of 1,174 residues in 1181.3 ms (Link to these results)

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