A0A087XAJ6_POEFO Loading...

NAD(+) diphosphatase

AlphaFold DB , UniProt , Accession A0A087XAJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M33.5Very low42.6Very low211 Ų211113.5 Ų113.5100%1.03960%0.599SS**  0-27.90-129.9166.5-166.800113.2T3M1-T3 PolarHBondContact O-N 3.4Å
2F33.9Very low42.9Very low178 Ų178113.9 Ų113.978%0.78159%0.592SS**Hα-helixtrans-79.9-6.5-179.3-76.8-81.2000116.8S6F2-S6 PolarHBondContact O-OG 3.46Å
3T38.8Very low43.5Very low116 Ų116107.7 Ų107.771%0.71256%0.56SS**Hα-helixtrans-90.4-17.1-177.443.70000114.1M1M1-T3 PolarHBondContact O-N 3.4Å
4S40.1Very low43.7Very low80 Ų80106.2 Ų106.256%0.55956%0.563SS**Hα-helixtrans-86.2-31.7-179.867.60000113.5L8S4-L8 PolarHBondContact O-N 3.19Å; S4-L8 VanDerWaalsContact O-N 3.16Å
5E42.6Very low43.8Very low136 Ų136109.3 Ų109.364%0.63657%0.571SS**Hα-helixtrans-69.7-37178.8-70-176157.900112.5N7 L8 F9E5-N7 VanDerWaalsContact C-N 3.34Å; E5-N7 PolarHBondContact O-N 3.5Å; E5-L8 PolarHBondContact O-N 3.08Å; E5-F9 PolarHBondContact O-N 3.26Å
6S46.3Very low44.1Very low57 Ų57109.7 Ų109.740%0.39959%0.585SS.*Hα-helixtrans-63-39.4178.3-53.90000112.3F2 L10F2-S6 PolarHBondContact O-OG 3.46Å; S6-L10 WeakPolarHBondContact O-CG 3.5Å; S6-L10 PolarHBondContact O-N 3.11Å
7N45.2Very low44.7Very low106 Ų106107.1 Ų107.157%0.56758%0.577SS**Hα-helixtrans-73.5-36.2176.3-82.4-22.2000112E5 F9 L10 V11E5-N7 VanDerWaalsContact C-N 3.34Å; E5-N7 PolarHBondContact O-N 3.5Å; N7-F9 VanDerWaalsContact C-N 3.32Å; N7-F9 PolarHBondContact O-N 3.02Å; N7-L10 PolarHBondContact O-N 3.2Å; N7-V11 WeakPolarHBondContact O-CB 3.4Å; N7-V11 WeakPolarHBondContact O-CG2 3.22Å; N7-V11 PolarHBondContact O-N 3.14Å
8L44.7Very low45.5Very low112 Ų112106.3 Ų106.359%0.58657%0.573SS**Hα-helixtrans-63.3-40.5175.6-143.984.5000111.1S4 E5 V11 F12S4-L8 PolarHBondContact O-N 3.19Å; S4-L8 VanDerWaalsContact O-N 3.16Å; E5-L8 PolarHBondContact O-N 3.08Å; L8-V11 WeakPolarHBondContact O-CB 3.18Å; L8-V11 PolarHBondContact O-N 3.42Å; L8-F12 HydrophobicContact CD2-CE2 4.19Å; L8-F12 HydrophobicContact CG-CE2 4.3Å; L8-F12 VanDerWaalsContact O-CD2 3.25Å; L8-F12 WeakPolarHBondContact O-CD2 3.39Å; L8-F12 PolarHBondContact O-N 3.41Å
9F51.1Low46.5Very low87 Ų87104 Ų10438%0.38256%0.557SS.*Hα-helixtrans-70.2-39.6-179.7-149.6-89.3000112.6E5 N7 V11 F12 L13 L44 L45E5-F9 PolarHBondContact O-N 3.26Å; N7-F9 VanDerWaalsContact C-N 3.32Å; N7-F9 PolarHBondContact O-N 3.02Å; F9-V11 VanDerWaalsContact C-N 3.3Å; F9-V11 PolarHBondContact O-N 2.94Å; F9-F12 PolarHBondContact O-N 3.08Å; F9-L13 HydrophobicContact CD1-CD1 3.78Å; F9-L13 HydrophobicContact CD1-CG 4.18Å; F9-L13 HydrophobicContact CE1-CD1 4.06Å; F9-L13 HydrophobicContact CE1-CD2 4.41Å; F9-L13 HydrophobicContact CE1-CG 4.33Å; F9-L13 VanDerWaalsContact O-CG 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.35Å; F9-L13 PolarHBondContact O-N 2.73Å; F9-L44 HydrophobicContact CD1-CD2 3.98Å; F9-L45 HydrophobicContact CE1-CD2 4.1Å
10L47.4Very low47.3Very low91 Ų91102.9 Ų102.948%0.47655%0.547SS..Hα-helixtrans-63.4-36.8172.3-76.4166.4000112.1S6 N7 L13 S14 L44S6-L10 WeakPolarHBondContact O-CG 3.5Å; S6-L10 PolarHBondContact O-N 3.11Å; N7-L10 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-N 3.48Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-L44 HydrophobicContact CD2-CD1 4.43Å; L10-L44 HydrophobicContact CD2-CD2 3.96Å; L10-L44 HydrophobicContact CD2-CG 4.43Å; L10-L44 HydrophobicContact CG-CD2 4.42Å
11V44.7Very low48.2Very low74 Ų74101.4 Ų101.445%0.44854%0.544SS..Hα-helixtrans-64.6-44.81731700000110.7N7 L8 F9 L13 S14 F15N7-V11 WeakPolarHBondContact O-CB 3.4Å; N7-V11 WeakPolarHBondContact O-CG2 3.22Å; N7-V11 PolarHBondContact O-N 3.14Å; L8-V11 WeakPolarHBondContact O-CB 3.18Å; L8-V11 PolarHBondContact O-N 3.42Å; F9-V11 VanDerWaalsContact C-N 3.3Å; F9-V11 PolarHBondContact O-N 2.94Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.23Å; V11-S14 WeakPolarHBondContact O-CB 3.18Å; V11-S14 PolarHBondContact O-N 2.77Å; V11-S14 VanDerWaalsContact O-N 3.11Å; V11-S14 PolarHBondContact O-OG 2.91Å; V11-F15 HydrophobicContact CG1-CD2 4.05Å; V11-F15 HydrophobicContact CG1-CE2 3.66Å; V11-F15 WeakPolarHBondContact O-CD2 3.48Å; V11-F15 PolarHBondContact O-N 3.49Å
12F46.3Very low49.7Very low119 Ų11993.5 Ų93.552%0.52251%0.508SS..Hα-helixtrans-62-37.4174.9-88-74000113.4L8 F9 S14 F15 C17L8-F12 HydrophobicContact CD2-CE2 4.19Å; L8-F12 HydrophobicContact CG-CE2 4.3Å; L8-F12 VanDerWaalsContact O-CD2 3.25Å; L8-F12 WeakPolarHBondContact O-CD2 3.39Å; L8-F12 PolarHBondContact O-N 3.41Å; F9-F12 PolarHBondContact O-N 3.08Å; F12-S14 VanDerWaalsContact C-N 3.26Å; F12-S14 PolarHBondContact O-N 3.42Å; F12-F15 PolarHBondContact O-N 3.15Å; F12-F15 VanDerWaalsContact O-N 3.14Å; F12-C17 PolarHBondContact O-SG 2.98Å
13L51.5Low51.5Low33 Ų3387.7 Ų87.717%0.17349%0.485CS..Hα-helixtrans-69.8-23.4175.8-65.2167.1000112.9F9 L10 V11 F15 K19 L44 L45F9-L13 HydrophobicContact CD1-CD1 3.78Å; F9-L13 HydrophobicContact CD1-CG 4.18Å; F9-L13 HydrophobicContact CE1-CD1 4.06Å; F9-L13 HydrophobicContact CE1-CD2 4.41Å; F9-L13 HydrophobicContact CE1-CG 4.33Å; F9-L13 VanDerWaalsContact O-CG 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.35Å; F9-L13 PolarHBondContact O-N 2.73Å; L10-L13 PolarHBondContact O-N 3.46Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.23Å; L13-F15 VanDerWaalsContact C-N 3.29Å; L13-K19 HydrophobicContact CD2-CD 3.74Å; L13-K19 HydrophobicContact CD2-CG 3.84Å; L13-L44 HydrophobicContact CD1-CD2 3.24Å; L13-L45 HydrophobicContact CD2-CD2 4.46Å
14S46.3Very low52.8Low87 Ų8788.3 Ų88.361%0.60849%0.494SS*.Hα-helixtrans-76.2-14.917276.30000113.7L10 V11 F12 S16L10-S14 PolarHBondContact O-N 3.48Å; L10-S14 VanDerWaalsContact O-N 3.1Å; V11-S14 WeakPolarHBondContact O-CB 3.18Å; V11-S14 PolarHBondContact O-N 2.77Å; V11-S14 VanDerWaalsContact O-N 3.11Å; V11-S14 PolarHBondContact O-OG 2.91Å; F12-S14 VanDerWaalsContact C-N 3.26Å; F12-S14 PolarHBondContact O-N 3.42Å; S14-S16 VanDerWaalsContact C-N 3.34Å; S14-S16 PolarHBondContact O-N 2.6Å
15F44.3Very low53.9Low153 Ų15388.4 Ų88.467%0.67150%0.495SS*.THydrogen-bonded Turntrans-93.225.2176.3-78-69.6000113.6V11 F12 L13 C17V11-F15 HydrophobicContact CG1-CD2 4.05Å; V11-F15 HydrophobicContact CG1-CE2 3.66Å; V11-F15 WeakPolarHBondContact O-CD2 3.48Å; V11-F15 PolarHBondContact O-N 3.49Å; F12-F15 PolarHBondContact O-N 3.15Å; F12-F15 VanDerWaalsContact O-N 3.14Å; L13-F15 VanDerWaalsContact C-N 3.29Å; F15-C17 VanDerWaalsContact C-N 3.33Å; F15-C17 PolarHBondContact O-N 2.83Å
16S48.7Very low55Low115 Ų11585.3 Ų85.380%0.80449%0.488SS*.THydrogen-bonded Turntrans60.734.7176.5-54.30000114.5S14 D18S14-S16 VanDerWaalsContact C-N 3.34Å; S14-S16 PolarHBondContact O-N 2.6Å; S16-D18 PolarHBondContact O-N 2.9Å
17C54.5Low56Low65 Ų6585.6 Ų85.644%0.43948%0.483SS..  trans-64.6122.7168.7-75.70000110.3F12 F15 K19F12-C17 PolarHBondContact O-SG 2.98Å; F15-C17 VanDerWaalsContact C-N 3.33Å; F15-C17 PolarHBondContact O-N 2.83Å; C17-K19 PolarHBondContact O-N 2.9Å; C17-K19 VanDerWaalsContact O-N 3.11Å
18D59.1Low57.5Low94 Ų9481.8 Ų81.850%0.50346%0.464SS..  trans-65.3107.3179.4178.112.8000111S16 F20 S21S16-D18 PolarHBondContact O-N 2.9Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 WeakPolarHBondContact OD1-CA 3.34Å; D18-F20 WeakPolarHBondContact OD1-CB 3.4Å; D18-F20 PolarHBondContact OD1-N 2.7Å; D18-S21 PolarHBondContact OD1-N 2.79Å; D18-S21 PolarHBondContact OD2-N 3.31Å; D18-S21 PolarHBondContact OD2-OG 2.79Å
19K64.1Low58.9Low62 Ų6278.5 Ų78.527%0.2745%0.453SS..THydrogen-bonded Turntrans-79.6-9.7178.8-51.1-170.7-158.6-169.80113.1L13 C17 L45L13-K19 HydrophobicContact CD2-CD 3.74Å; L13-K19 HydrophobicContact CD2-CG 3.84Å; C17-K19 PolarHBondContact O-N 2.9Å; C17-K19 VanDerWaalsContact O-N 3.11Å; K19-L45 HydrophobicContact CD-CD2 4.4Å
20F62.8Low60.1Low81 Ų8178 Ų7836%0.35545%0.449SS..THydrogen-bonded Turntrans-103.1-4.6-173.2-54.1-75000112.8D18 V22 F377D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 WeakPolarHBondContact OD1-CA 3.34Å; D18-F20 WeakPolarHBondContact OD1-CB 3.4Å; D18-F20 PolarHBondContact OD1-N 2.7Å; F20-V22 PolarHBondContact O-N 3.02Å; F20-F377 HydrophobicContact CB-CE2 4.43Å; F20-F377 HydrophobicContact CD2-CE1 4.42Å; F20-F377 HydrophobicContact CD2-CE2 4.48Å; F20-F377 AromaticContact CD2-CZ 3.92Å; F20-F377 HydrophobicContact CD2-CZ 3.92Å; F20-F377 HydrophobicContact CE2-CZ 4.24Å; F20-F377 HydrophobicContact CG-CE2 4.42Å; F20-F377 HydrophobicContact CG-CZ 4.23Å
21S66Low61.1Low72 Ų7274.5 Ų74.550%0.50343%0.431SS..  trans-56.9133.2169.4-83.60000111D18D18-S21 PolarHBondContact OD1-N 2.79Å; D18-S21 PolarHBondContact OD2-N 3.31Å; D18-S21 PolarHBondContact OD2-OG 2.79Å
22V65.1Low62.6Low45 Ų4573.9 Ų73.927%0.27342%0.424SS..BIsolated β-bridgetrans-109.3153.6179.7-60.50000112.2F20 Q27 T28F20-V22 PolarHBondContact O-N 3.02Å; V22-Q27 CarbonylContact C-O 3.58Å; V22-Q27 VanDerWaalsContact CA-O 3.26Å; V22-Q27 WeakPolarHBondContact CA-O 3.38Å; V22-T28 HydrophobicContact CG1-CG2 3.83Å
23N71.6Confident64.1Low57 Ų5768.6 Ų68.631%0.30540%0.403SS..  trans-78.1-179.5169.4719.1000112.1S25 S26 Q27N23-S25 PolarHBondContact O-N 3.42Å; N23-S25 VanDerWaalsContact OD1-C 3.24Å; N23-S25 VanDerWaalsContact OD1-CA 3.28Å; N23-S25 WeakPolarHBondContact OD1-CA 3.25Å; N23-S25 WeakPolarHBondContact OD1-CB 3.5Å; N23-S25 PolarHBondContact OD1-N 3.44Å; N23-S26 PolarHBondContact O-N 3.22Å; N23-S26 PolarHBondContact OD1-N 2.98Å; N23-Q27 PolarHBondContact N-O 3.16Å; N23-Q27 PolarHBondContact ND2-OE1 2.98Å; N23-Q27 PolarHBondContact OD1-N 2.9Å
24S66.4Low65.2Low128 Ų12872 Ų7290%0.89542%0.416SS*.THydrogen-bonded Turntrans-61.5-11.4175.952.50000114.7
25S64.1Low66.4Low82 Ų8275 Ų7557%0.57342%0.418SS*.THydrogen-bonded Turntrans-103.915.8173.9-53.80000112.5N23 Q27N23-S25 PolarHBondContact O-N 3.42Å; N23-S25 VanDerWaalsContact OD1-C 3.24Å; N23-S25 VanDerWaalsContact OD1-CA 3.28Å; N23-S25 WeakPolarHBondContact OD1-CA 3.25Å; N23-S25 WeakPolarHBondContact OD1-CB 3.5Å; N23-S25 PolarHBondContact OD1-N 3.44Å; S25-Q27 PolarHBondContact O-N 3.16Å
26S63.9Low67.9Low71 Ų7176 Ų7650%0.49742%0.418SS..SBendtrans6026.6179.4-57.60000114.9N23N23-S26 PolarHBondContact O-N 3.22Å; N23-S26 PolarHBondContact OD1-N 2.98Å
27Q68.3Low69Low63 Ų6372.8 Ų72.829%0.29440%0.403SS..  trans-97.2130.1176.6-60.7173.4-44.800110.6V22 N23 S25 D31 I32V22-Q27 CarbonylContact C-O 3.58Å; V22-Q27 VanDerWaalsContact CA-O 3.26Å; V22-Q27 WeakPolarHBondContact CA-O 3.38Å; N23-Q27 PolarHBondContact N-O 3.16Å; N23-Q27 PolarHBondContact ND2-OE1 2.98Å; N23-Q27 PolarHBondContact OD1-N 2.9Å; S25-Q27 PolarHBondContact O-N 3.16Å; Q27-D31 HydrophobicContact CB-CB 3.99Å; Q27-D31 HydrophobicContact CG-CB 4.5Å; Q27-I32 HydrophobicContact CB-CG1 4.03Å
28T76.3Confident70Confident26 Ų2674 Ų7416%0.1640%0.402CS..BIsolated β-bridgetrans-73.6166.7171.264.50000111.2V22 Y30 D31 I32V22-T28 HydrophobicContact CG1-CG2 3.83Å; T28-Y30 PolarHBondContact O-N 3.4Å; T28-Y30 PolarHBondContact OG1-N 3.43Å; T28-D31 WeakPolarHBondContact CB-OD2 3.02Å; T28-D31 PolarHBondContact N-OD2 3.37Å; T28-D31 PolarHBondContact O-N 3.33Å; T28-D31 PolarHBondContact OG1-N 2.87Å; T28-D31 PolarHBondContact OG1-OD2 2.85Å; T28-I32 WeakPolarHBondContact O-CG1 3.18Å; T28-I32 PolarHBondContact O-N 3.02Å; T28-I32 VanDerWaalsContact O-N 3.07Å
29A74.4Confident70.5Confident44 Ų4480.2 Ų80.236%0.36442%0.418SS..Hα-helixtrans-56-31.7170.800000112.3A33 L45A29-A33 WeakPolarHBondContact O-CB 3.32Å; A29-A33 PolarHBondContact O-N 3.39Å; A29-L45 VanDerWaalsContact C-CD1 3.48Å; A29-L45 HydrophobicContact CB-CD1 3.86Å; A29-L45 WeakPolarHBondContact O-CD1 3.26Å
30Y76.2Confident70.5Confident75 Ų7583.6 Ų83.629%0.29444%0.435SS..Hα-helixtrans-65.5-47173.8170.9-95.5000111.8T28 I32 A33 K34 A42 L45T28-Y30 PolarHBondContact O-N 3.4Å; T28-Y30 PolarHBondContact OG1-N 3.43Å; Y30-I32 VanDerWaalsContact C-N 3.32Å; Y30-I32 PolarHBondContact O-N 3.09Å; Y30-A33 PolarHBondContact O-N 2.98Å; Y30-K34 HydrophobicContact CE1-CD 4.1Å; Y30-K34 WeakPolarHBondContact O-CB 3.34Å; Y30-K34 PolarHBondContact O-N 3.05Å; Y30-A42 HydrophobicContact CD2-CB 4.35Å; Y30-A42 VanDerWaalsContact CD2-O 3.24Å; Y30-A42 WeakPolarHBondContact CD2-O 3.25Å; Y30-A42 HydrophobicContact CE2-CB 4.2Å; Y30-A42 VanDerWaalsContact CE2-O 3.23Å; Y30-A42 WeakPolarHBondContact CE2-O 3.38Å; Y30-L45 HydrophobicContact CD2-CB 4.27Å
31D68.8Low70.8Confident18 Ų1882.2 Ų82.210%0.09643%0.43CS..Hα-helixtrans-62.6-41.2-179-59.6-44.4000111.4Q27 T28 K34 F35Q27-D31 HydrophobicContact CB-CB 3.99Å; Q27-D31 HydrophobicContact CG-CB 4.5Å; T28-D31 WeakPolarHBondContact CB-OD2 3.02Å; T28-D31 PolarHBondContact N-OD2 3.37Å; T28-D31 PolarHBondContact O-N 3.33Å; T28-D31 PolarHBondContact OG1-N 2.87Å; T28-D31 PolarHBondContact OG1-OD2 2.85Å; D31-K34 PolarHBondContact O-N 3.35Å; D31-F35 VanDerWaalsContact O-CB 3.29Å; D31-F35 WeakPolarHBondContact O-CB 3.29Å; D31-F35 PolarHBondContact O-N 3.19Å
32I76Confident71Confident61 Ų6179.2 Ų79.231%0.31341%0.41SS..Hα-helixtrans-63.8-49.1175.2-62.8171.6000110Q27 T28 Y30 K34 F35 W36Q27-I32 HydrophobicContact CB-CG1 4.03Å; T28-I32 WeakPolarHBondContact O-CG1 3.18Å; T28-I32 PolarHBondContact O-N 3.02Å; T28-I32 VanDerWaalsContact O-N 3.07Å; Y30-I32 VanDerWaalsContact C-N 3.32Å; Y30-I32 PolarHBondContact O-N 3.09Å; I32-K34 VanDerWaalsContact C-N 3.25Å; I32-K34 PolarHBondContact O-N 2.83Å; I32-F35 PolarHBondContact O-N 3.35Å; I32-W36 PolarHBondContact O-N 3.02Å
33A77.8Confident70.9Confident8 Ų878.8 Ų78.87%0.06642%0.415CS..Hα-helixtrans-60-36.5179.100000112.4A29 Y30 G37 H38 I41 A42 L45A29-A33 WeakPolarHBondContact O-CB 3.32Å; A29-A33 PolarHBondContact O-N 3.39Å; Y30-A33 PolarHBondContact O-N 2.98Å; A33-G37 PolarHBondContact O-N 3.31Å; A33-H38 HydrophobicContact CB-CB 4.46Å; A33-H38 WeakPolarHBondContact O-CA 3.39Å; A33-H38 WeakPolarHBondContact O-CB 3.5Å; A33-H38 PolarHBondContact O-N 3.06Å; A33-I41 HydrophobicContact CB-CB 4.19Å; A33-I41 HydrophobicContact CB-CG2 3.93Å; A33-A42 HydrophobicContact CB-CB 4.05Å; A33-L45 HydrophobicContact CB-CD1 4.12Å
34K74.6Confident70.8Confident106 Ų10678.3 Ų78.346%0.46141%0.412SS..Hα-helixtrans-71.7-44.8176.3-169.6177.9-179.6-179.60112Y30 D31 I32 W36 G37 A42 N404Y30-K34 HydrophobicContact CE1-CD 4.1Å; Y30-K34 WeakPolarHBondContact O-CB 3.34Å; Y30-K34 PolarHBondContact O-N 3.05Å; D31-K34 PolarHBondContact O-N 3.35Å; I32-K34 VanDerWaalsContact C-N 3.25Å; I32-K34 PolarHBondContact O-N 2.83Å; K34-W36 VanDerWaalsContact C-N 3.34Å; K34-W36 PolarHBondContact O-N 3.34Å; K34-G37 PolarHBondContact O-N 3.15Å; K34-G37 VanDerWaalsContact O-N 3.14Å; K34-A42 HydrophobicContact CB-CB 4.42Å; K34-N404 PolarHBondContact NZ-ND2 3.44Å
35F71.4Confident70.9Confident148 Ų14873.2 Ų73.265%0.64938%0.375SS*.Hα-helixtrans-59-43.6178.4179.9-94.8000112.1D31 I32 G37D31-F35 VanDerWaalsContact O-CB 3.29Å; D31-F35 WeakPolarHBondContact O-CB 3.29Å; D31-F35 PolarHBondContact O-N 3.19Å; I32-F35 PolarHBondContact O-N 3.35Å; F35-G37 VanDerWaalsContact C-N 3.25Å; F35-G37 PolarHBondContact O-N 3.25Å
36W76.2Confident70.7Confident175 Ų17571.5 Ų71.566%0.66337%0.37SS*.THydrogen-bonded Turntrans-83.55.8179.1-68.2100.9000114I32 K34 H38I32-W36 PolarHBondContact O-N 3.02Å; K34-W36 VanDerWaalsContact C-N 3.34Å; K34-W36 PolarHBondContact O-N 3.34Å; W36-H38 VanDerWaalsContact C-N 3.32Å; W36-H38 PolarHBondContact O-N 3.3Å
37G70.9Confident70.1Confident47 Ų4777.6 Ų77.649%0.48538%0.382SS..THydrogen-bonded Turntrans75.613.5174.700000115.2A33 K34 F35 R39A33-G37 PolarHBondContact O-N 3.31Å; K34-G37 PolarHBondContact O-N 3.15Å; K34-G37 VanDerWaalsContact O-N 3.14Å; F35-G37 VanDerWaalsContact C-N 3.25Å; F35-G37 PolarHBondContact O-N 3.25Å; G37-R39 PolarHBondContact O-N 2.61Å
38H76.9Confident69.1Low92 Ų9277 Ų7743%0.42639%0.388SS..  trans-77.870.5176.5-63.1-62000111.6A33 W36 H40 I41 A42A33-H38 HydrophobicContact CB-CB 4.46Å; A33-H38 WeakPolarHBondContact O-CA 3.39Å; A33-H38 WeakPolarHBondContact O-CB 3.5Å; A33-H38 PolarHBondContact O-N 3.06Å; W36-H38 VanDerWaalsContact C-N 3.32Å; W36-H38 PolarHBondContact O-N 3.3Å; H38-H40 VanDerWaalsContact C-N 3.27Å; H38-H40 PolarHBondContact O-N 3.08Å; H38-H40 VanDerWaalsContact O-N 3.17Å; H38-I41 HydrophobicContact CB-CB 4.16Å; H38-I41 HydrophobicContact CB-CD1 4.14Å; H38-I41 HydrophobicContact CB-CG1 4.27Å; H38-I41 PolarHBondContact O-N 3.39Å; H38-I41 VanDerWaalsContact O-N 3.14Å; H38-A42 WeakPolarHBondContact O-CB 3.35Å; H38-A42 PolarHBondContact O-N 3.45Å
39R67.8Low67.4Low224 Ų22480.6 Ų80.685%0.84542%0.42SS*.Hα-helixtrans-55.5-36-173.4-62.9-176.8-173.3-177.71.2114.4G37 G43G37-R39 PolarHBondContact O-N 2.61Å; R39-G43 PolarHBondContact O-N 3.46Å
40H64.3Low65.7Low133 Ų13383.3 Ų83.362%0.61643%0.429SS*.Hα-helixtrans-71.6-41.7179.966.5-80.9000112.1H38 G43 L44H38-H40 VanDerWaalsContact C-N 3.27Å; H38-H40 PolarHBondContact O-N 3.08Å; H38-H40 VanDerWaalsContact O-N 3.17Å; H40-G43 PolarHBondContact O-N 3.24Å; H40-L44 WeakPolarHBondContact O-CB 3.43Å; H40-L44 PolarHBondContact O-N 2.9Å
41I69.8Low63.9Low51 Ų5182.9 Ų82.926%0.26245%0.447SS..Hα-helixtrans-69-44.5175.7-56.6-179.4000110A33 H38 G43 L44 L45A33-I41 HydrophobicContact CB-CB 4.19Å; A33-I41 HydrophobicContact CB-CG2 3.93Å; H38-I41 HydrophobicContact CB-CB 4.16Å; H38-I41 HydrophobicContact CB-CD1 4.14Å; H38-I41 HydrophobicContact CB-CG1 4.27Å; H38-I41 PolarHBondContact O-N 3.39Å; H38-I41 VanDerWaalsContact O-N 3.14Å; I41-G43 VanDerWaalsContact C-N 3.28Å; I41-G43 PolarHBondContact O-N 3.18Å; I41-L44 PolarHBondContact O-N 3.42Å; I41-L45 HydrophobicContact CG2-CD1 3.68Å; I41-L45 HydrophobicContact CG2-CG 4.11Å; I41-L45 WeakPolarHBondContact O-CB 3.22Å; I41-L45 WeakPolarHBondContact O-CG 3.4Å; I41-L45 PolarHBondContact O-N 3.45Å
42A69.6Low62.2Low9 Ų987 Ų877%0.07448%0.476CS..Hα-helixtrans-59.2-39.6174.700000111.5Y30 A33 K34 H38 L44 G46Y30-A42 HydrophobicContact CD2-CB 4.35Å; Y30-A42 VanDerWaalsContact CD2-O 3.24Å; Y30-A42 WeakPolarHBondContact CD2-O 3.25Å; Y30-A42 HydrophobicContact CE2-CB 4.2Å; Y30-A42 VanDerWaalsContact CE2-O 3.23Å; Y30-A42 WeakPolarHBondContact CE2-O 3.38Å; A33-A42 HydrophobicContact CB-CB 4.05Å; K34-A42 HydrophobicContact CB-CB 4.42Å; H38-A42 WeakPolarHBondContact O-CB 3.35Å; H38-A42 PolarHBondContact O-N 3.45Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.21Å; A42-G46 WeakPolarHBondContact O-CA 3.44Å; A42-G46 PolarHBondContact O-N 2.91Å
43G63.9Low60.4Low37 Ų3789.6 Ų89.638%0.38149%0.487SS..Hα-helixtrans-64.2-35.1173.100000113.4R39 H40 I41 R47R39-G43 PolarHBondContact O-N 3.46Å; H40-G43 PolarHBondContact O-N 3.24Å; I41-G43 VanDerWaalsContact C-N 3.28Å; I41-G43 PolarHBondContact O-N 3.18Å; G43-R47 VanDerWaalsContact O-CG 3.29Å; G43-R47 WeakPolarHBondContact O-CG 3.34Å; G43-R47 PolarHBondContact O-N 3.04Å
44L68.1Low58.3Low47 Ų47100.5 Ų100.525%0.24653%0.526CS..Hα-helixtrans-80.7-30.7-178.2-147.6139.9000112.6F9 L10 L13 H40 I41 A42F9-L44 HydrophobicContact CD1-CD2 3.98Å; L10-L44 HydrophobicContact CD2-CD1 4.43Å; L10-L44 HydrophobicContact CD2-CD2 3.96Å; L10-L44 HydrophobicContact CD2-CG 4.43Å; L10-L44 HydrophobicContact CG-CD2 4.42Å; L13-L44 HydrophobicContact CD1-CD2 3.24Å; H40-L44 WeakPolarHBondContact O-CB 3.43Å; H40-L44 PolarHBondContact O-N 2.9Å; I41-L44 PolarHBondContact O-N 3.42Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.21Å
45L69.3Low56.8Low21 Ų21103.1 Ų103.111%0.1154%0.544CS..Hα-helixtrans-80.2-35.7172.5-67.6174.6000112.4F9 L13 K19 A29 Y30 A33 I41 R47F9-L45 HydrophobicContact CE1-CD2 4.1Å; L13-L45 HydrophobicContact CD2-CD2 4.46Å; K19-L45 HydrophobicContact CD-CD2 4.4Å; A29-L45 VanDerWaalsContact C-CD1 3.48Å; A29-L45 HydrophobicContact CB-CD1 3.86Å; A29-L45 WeakPolarHBondContact O-CD1 3.26Å; Y30-L45 HydrophobicContact CD2-CB 4.27Å; A33-L45 HydrophobicContact CB-CD1 4.12Å; I41-L45 HydrophobicContact CG2-CD1 3.68Å; I41-L45 HydrophobicContact CG2-CG 4.11Å; I41-L45 WeakPolarHBondContact O-CB 3.22Å; I41-L45 WeakPolarHBondContact O-CG 3.4Å; I41-L45 PolarHBondContact O-N 3.45Å; L45-R47 VanDerWaalsContact C-N 3.34Å
46G60.1Low55Low45 Ų45102 Ų10246%0.46454%0.544SS..Hα-helixtrans-78.8-13.117900000114.3A42 A48A42-G46 WeakPolarHBondContact O-CA 3.44Å; A42-G46 PolarHBondContact O-N 2.91Å; G46-A48 PolarHBondContact O-N 3.38Å
47R52.2Low53.3Low199 Ų199100 Ų10075%0.75155%0.554SS**  trans-69.875.5163.9-81.6175.7179.7-166.9-0.9109.4G43 L45G43-R47 VanDerWaalsContact O-CG 3.29Å; G43-R47 WeakPolarHBondContact O-CG 3.34Å; G43-R47 PolarHBondContact O-N 3.04Å; L45-R47 VanDerWaalsContact C-N 3.34Å
48A46Very low51.7Low50 Ų5099.7 Ų99.741%0.41355%0.55SS.*  trans-61.2140.2143.900000106.7G46 D50G46-A48 PolarHBondContact O-N 3.38Å; A48-D50 PolarHBondContact O-N 3.44Å
49A41.1Very low49.8Very low103 Ų103100.6 Ų100.685%0.85157%0.573SS**SBendtrans-64.1-0.3179.500000114
50D39.7Very low48.5Very low101 Ų10196.1 Ų96.154%0.5457%0.566SS.*SBendtrans-134.6105.1172.5-68.1-47.9000108.9A48A48-D50 PolarHBondContact O-N 3.44Å
51G38Very low47.6Very low65 Ų6593.2 Ų93.267%0.6756%0.555SS**  trans-81.3138.5179.800000112.3E53G51-E53 PolarHBondContact O-N 2.92Å
52C33.3Very low46.4Very low104 Ų10498.3 Ų98.370%0.70358%0.577SS**  trans-79.2104.2159.1-179.10000108.2H399C52-H399 PolarHBondContact SG-CE1 3.27Å
53E37.8Very low45.7Very low117 Ų117102.5 Ų102.555%0.54760%0.604SS.*  trans-101.8136.9175.1-70.5-159.1152.600111.9G51 L61G51-E53 PolarHBondContact O-N 2.92Å; E53-L61 HydrophobicContact CB-CD2 4.28Å
54R33.6Very low45.7Very low236 Ų236105.7 Ų105.789%0.89161%0.608SS**  trans-75.2133.4175.2-72.6177.4174.7-178.3-3.5111L56R54-L56 PolarHBondContact O-N 3Å
55I42Very low46.1Very low162 Ų162107.7 Ų107.783%0.83162%0.617SS**SBendtrans1959.3145.4-35179.1000116.8
56L34.6Very low47.1Very low124 Ų124107 Ų10765%0.64961%0.613SS**SBendtrans44.6130.7154.6-46.5178.6000119.3R54 L61R54-L56 PolarHBondContact O-N 3Å; L56-L61 HydrophobicContact CD2-CD1 3.09Å; L56-L61 HydrophobicContact CD2-CD2 3.66Å; L56-L61 HydrophobicContact CD2-CG 3.99Å; L56-L61 HydrophobicContact CG-CD1 4.5Å
57P41.4Very low48.6Very low134 Ų134105.2 Ų105.287%0.8759%0.592SS**  cis-134.3141.636.235.6-16.8000115.4
58G36.4Very low50.5Low40 Ų4095.9 Ų95.941%0.41256%0.557SS.*  trans-162.8145.9170.300000110D60 L61G58-D60 PolarHBondContact O-N 3.09Å; G58-L61 WeakPolarHBondContact O-CD1 3.49Å; G58-L61 WeakPolarHBondContact O-CG 3.21Å
59A37.3Very low52.5Low110 Ų11095.1 Ų95.191%0.90955%0.548SS*.THydrogen-bonded Turntrans-73.4-0.7-174.900000114.5
60D40.9Very low54.7Low131 Ų13194.4 Ų94.470%0.70152%0.524SS*.THydrogen-bonded Turntrans-113.528.7-176.3-63.2-32.4000112.5G58 H62G58-D60 PolarHBondContact O-N 3.09Å; D60-H62 PolarHBondContact O-N 2.88Å
61L44.2Very low56.8Low71 Ų7193.8 Ų93.837%0.37252%0.518SS..  trans-74.194.7171.8-67.8153.3000109.2E53 L56 G58 P63E53-L61 HydrophobicContact CB-CD2 4.28Å; L56-L61 HydrophobicContact CD2-CD1 3.09Å; L56-L61 HydrophobicContact CD2-CD2 3.66Å; L56-L61 HydrophobicContact CD2-CG 3.99Å; L56-L61 HydrophobicContact CG-CD1 4.5Å; G58-L61 WeakPolarHBondContact O-CD1 3.49Å; G58-L61 WeakPolarHBondContact O-CG 3.21Å; L61-P63 VanDerWaalsContact O-CD 3.28Å; L61-P63 WeakPolarHBondContact O-CD 3.4Å
62H46.1Very low59.3Low159 Ų15992.1 Ų92.174%0.73650%0.495SS*.  trans-72.9116.1160.6-76.3-63000108.2D60 H64D60-H62 PolarHBondContact O-N 2.88Å; H62-H64 PolarHBondContact O-N 2.87Å; H62-H64 VanDerWaalsContact O-N 3.15Å
63P54.9Low62.2Low97 Ų9787.4 Ų87.463%0.6346%0.462SS*.  trans-61.9121.1176.1-1427.8000108.3L61 E65L61-P63 VanDerWaalsContact O-CD 3.28Å; L61-P63 WeakPolarHBondContact O-CD 3.4Å; P63-E65 HydrophobicContact CB-CG 4.14Å; P63-E65 PolarHBondContact O-N 3.46Å
64H63.6Low64.9Low104 Ų10485.2 Ų85.248%0.48145%0.454SS..  trans-73.997169.6-172.770.8000108.2H62H62-H64 PolarHBondContact O-N 2.87Å; H62-H64 VanDerWaalsContact O-N 3.15Å
65E76.4Confident67.8Low89 Ų8978 Ų7842%0.41643%0.427SS..PPolyproline II helixtrans-92.4120-179.4-64.7-173.5170.400110.3P63 R70P63-E65 HydrophobicContact CB-CG 4.14Å; P63-E65 PolarHBondContact O-N 3.46Å; E65-R70 WeakPolarHBondContact OE2-CB 3.2Å; E65-R70 VanDerWaalsContact OE2-CG 3.3Å; E65-R70 WeakPolarHBondContact OE2-CG 3.31Å
66N89.2Confident70.3Confident5 Ų573.5 Ų73.53%0.02740%0.403CS..PPolyproline II helixtrans-71.2151.9169.6-72.2-49.9000110.4S69 S331 C332 Q333N66-S69 WeakPolarHBondContact O-CB 3.32Å; N66-S69 PolarHBondContact O-N 3.29Å; N66-S69 PolarHBondContact O-OG 3.32Å; N66-S331 VanDerWaalsContact ND2-CB 3.28Å; N66-S331 WeakPolarHBondContact ND2-CB 3.21Å; N66-S331 PolarHBondContact ND2-OG 2.98Å; N66-C332 WeakPolarHBondContact CB-O 3.25Å; N66-C332 VanDerWaalsContact ND2-C 3.35Å; N66-C332 PolarHBondContact ND2-O 3.26Å; N66-Q333 HydrophobicContact CB-CB 3.83Å; N66-Q333 HydrophobicContact CB-CG 4.35Å
67Y91.3Very high73.2Confident8 Ų871.2 Ų71.23%0.03140%0.397CS..THydrogen-bonded Turntrans-49.9149.5170.8-161.6-96.2000111.3S69 L202 L203 L205 E207 A210 Q333 Q390Y67-S69 PolarHBondContact O-N 3.44Å; Y67-L202 PolarHBondContact OH-O 3.38Å; Y67-L203 HydrophobicContact CD1-CD2 3.99Å; Y67-L203 HydrophobicContact CE1-CD2 3.89Å; Y67-L203 VanDerWaalsContact OH-C 3.3Å; Y67-L203 PolarHBondContact OH-O 3.09Å; Y67-L205 WeakPolarHBondContact CE2-O 3.4Å; Y67-L205 WeakPolarHBondContact OH-CA 3.34Å; Y67-L205 WeakPolarHBondContact OH-CB 3.19Å; Y67-L205 PolarHBondContact OH-N 3.24Å; Y67-L205 VanDerWaalsContact OH-N 3.16Å; Y67-L205 PolarHBondContact OH-O 2.97Å; Y67-E207 HydrophobicContact CD2-CB 4.46Å; Y67-E207 HydrophobicContact CD2-CG 3.56Å; Y67-E207 HydrophobicContact CE2-CG 3.97Å; Y67-A210 HydrophobicContact CD1-CB 4.03Å; Y67-A210 HydrophobicContact CE1-CB 3.42Å; Y67-A210 VanDerWaalsContact CE1-CB 3.42Å; Y67-A210 HydrophobicContact CE2-CB 4.09Å; Y67-A210 VanDerWaalsContact CZ-CB 3.46Å; Y67-Q333 WeakPolarHBondContact O-CG 3.27Å; Y67-Q333 PolarHBondContact O-NE2 3.15Å; Y67-Q390 VanDerWaalsContact CB-O 3.24Å; Y67-Q390 WeakPolarHBondContact CB-O 3.43Å; Y67-Q390 HydrophobicContact CD1-CB 4.05Å; Y67-Q390 HydrophobicContact CD1-CG 4.39Å; Y67-Q390 HydrophobicContact CD2-CB 4.06Å; Y67-Q390 HydrophobicContact CD2-CG 3.77Å; Y67-Q390 HydrophobicContact CE1-CG 4.49Å; Y67-Q390 HydrophobicContact CE2-CG 3.91Å; Y67-Q390 HydrophobicContact CG-CB 3.79Å; Y67-Q390 HydrophobicContact CG-CG 4.02Å
68F92.3Very high75.7Confident4 Ų467.7 Ų67.72%0.01838%0.384CS..THydrogen-bonded Turntrans65.3-3.5-168.7-61.5-54.4000116.7L202 L203 A210 G211 A214 P334 W335 P336F68-L202 HydrophobicContact CE1-CB 4.33Å; F68-L202 HydrophobicContact CZ-CB 4Å; F68-L203 HydrophobicContact CE2-CD2 3.71Å; F68-L203 HydrophobicContact CZ-CD2 3.93Å; F68-A210 HydrophobicContact CD1-CB 3.56Å; F68-A210 VanDerWaalsContact CD1-O 3.31Å; F68-A210 WeakPolarHBondContact CD1-O 3.3Å; F68-A210 HydrophobicContact CE1-CB 3.78Å; F68-A210 HydrophobicContact CG-CB 4.48Å; F68-G211 WeakPolarHBondContact O-CA 3.24Å; F68-A214 HydrophobicContact CB-CB 3.89Å; F68-A214 HydrophobicContact CD1-CB 3.96Å; F68-A214 HydrophobicContact CG-CB 4.18Å; F68-P334 HydrophobicContact CB-CB 4.29Å; F68-P334 WeakPolarHBondContact CB-O 3.49Å; F68-P334 WeakPolarHBondContact CD2-O 3.46Å; F68-W335 AromaticContact CD2-CE3 3.93Å; F68-W335 HydrophobicContact CD2-CE3 3.93Å; F68-W335 HydrophobicContact CD2-CZ3 4.16Å; F68-W335 AromaticContact CE2-CE3 3.79Å; F68-W335 HydrophobicContact CE2-CE3 3.79Å; F68-W335 AromaticContact CE2-CZ3 3.69Å; F68-W335 HydrophobicContact CE2-CZ3 3.69Å; F68-P336 HydrophobicContact CD1-CG 4.46Å; F68-P336 HydrophobicContact CE1-CG 4.33Å; F68-P336 HydrophobicContact CZ-CG 4.35Å
69S88.6Confident78.6Confident33 Ų3369 Ų6923%0.23138%0.379CS..  trans-96.8-20.1-178.5-41.40000113.7N66 Y67 E71 P334N66-S69 WeakPolarHBondContact O-CB 3.32Å; N66-S69 PolarHBondContact O-N 3.29Å; N66-S69 PolarHBondContact O-OG 3.32Å; Y67-S69 PolarHBondContact O-N 3.44Å; S69-E71 PolarHBondContact O-N 3.45Å; S69-P334 WeakPolarHBondContact OG-CD 3.21Å
70R87.6Confident81.4Confident88 Ų8865.6 Ų65.633%0.33234%0.342SS..  trans-66.9119-172.5-174160.2175.6171.4-3.4111.6E65 E207 E208E65-R70 WeakPolarHBondContact OE2-CB 3.2Å; E65-R70 VanDerWaalsContact OE2-CG 3.3Å; E65-R70 WeakPolarHBondContact OE2-CG 3.31Å; R70-E207 IonicContact NH1-OE2 3.93Å; R70-E208 HydrophobicContact CG-CG 4.35Å; R70-E208 IonicContact CZ-OE1 3.62Å; R70-E208 VanDerWaalsContact NE-CG 3.35Å; R70-E208 IonicContact NE-OE1 3.55Å; R70-E208 IonicContact NH2-OE1 3.5Å; R70-E208 PolarHBondContact NH2-OE1 3.37Å
71E84.4Confident84.1Confident89 Ų8963.8 Ų63.842%0.41634%0.337SS..  trans-96.899.5-179.2-68.1-165.8161.400111.7S69 R75 K149S69-E71 PolarHBondContact O-N 3.45Å; E71-R75 IonicContact OE1-CZ 2.55Å; E71-R75 VanDerWaalsContact OE1-CZ 3.3Å; E71-R75 IonicContact OE1-NE 3.07Å; E71-R75 PolarHBondContact OE1-NE 2.88Å; E71-R75 IonicContact OE1-NH2 2.78Å; E71-R75 PolarHBondContact OE1-NH2 3.15Å; E71-K149 WeakPolarHBondContact O-CE 3.11Å; E71-K149 PolarHBondContact O-NZ 2.97Å; E71-K149 IonicContact OE2-NZ 3.94Å
72T89.9Confident86.6Confident30 Ų3063.5 Ų63.518%0.18434%0.335CS..  trans-84.5-19.2171.851.70000113.6K149 E208 V212T72-K149 WeakPolarHBondContact O-CB 3.14Å; T72-K149 WeakPolarHBondContact O-CG 3.4Å; T72-K149 PolarHBondContact O-N 2.89Å; T72-E208 HydrophobicContact CG2-CB 3.53Å; T72-E208 HydrophobicContact CG2-CG 3.55Å; T72-V212 VanDerWaalsContact OG1-CG2 3.25Å; T72-V212 WeakPolarHBondContact OG1-CG2 3.47Å
73L93.1Very high89Confident4 Ų462 Ų622%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-103.7137.5177.1-54-180000109.9R75 L145 I147 E148 K149 W171 V212L73-R75 PolarHBondContact O-N 2.85Å; L73-L145 HydrophobicContact CD1-CB 3.65Å; L73-I147 CarbonylContact C-O 3.52Å; L73-I147 WeakPolarHBondContact CA-O 3.48Å; L73-E148 HydrophobicContact CD2-CB 4.25Å; L73-K149 WeakPolarHBondContact O-CE 3.49Å; L73-W171 HydrophobicContact CD1-CB 3.76Å; L73-W171 HydrophobicContact CD1-CD2 4.25Å; L73-W171 HydrophobicContact CD1-CE3 4.42Å; L73-W171 HydrophobicContact CD1-CG 3.98Å; L73-W171 HydrophobicContact CD2-CB 4.28Å; L73-W171 HydrophobicContact CD2-CD2 3.9Å; L73-W171 HydrophobicContact CD2-CG 3.71Å; L73-V212 HydrophobicContact CD1-CG1 3.96Å; L73-V212 HydrophobicContact CD1-CG2 4.03Å; L73-V212 HydrophobicContact CG-CG2 4.05Å
74D94.7Very high91Very high71 Ų7162.7 Ų62.738%0.3833%0.329SS..EExtended strand (participates in β ladder)trans-76.1116.2157.1-178.7-9.5000108Q76 G146 I147 K149D74-Q76 HydrophobicContact CB-CG 4.18Å; D74-Q76 PolarHBondContact O-N 3.48Å; D74-Q76 VanDerWaalsContact O-N 3.13Å; D74-Q76 PolarHBondContact OD1-N 3.36Å; D74-Q76 PolarHBondContact OD2-NE2 3.3Å; D74-G146 CarbonylContact O-C 3.6Å; D74-G146 WeakPolarHBondContact O-CA 3.5Å; D74-I147 PolarHBondContact N-O 2.94Å; D74-I147 PolarHBondContact O-N 3.19Å; D74-K149 HydrophobicContact CB-CG 4.24Å
75R95.3Very high92.6Very high86 Ų8659.8 Ų59.833%0.32531%0.313SS..  trans-63.2-20-174.8-63.9-177.9-172.9-102.95.2113.7E71 L73 S77 Q215E71-R75 IonicContact OE1-CZ 2.55Å; E71-R75 VanDerWaalsContact OE1-CZ 3.3Å; E71-R75 IonicContact OE1-NE 3.07Å; E71-R75 PolarHBondContact OE1-NE 2.88Å; E71-R75 IonicContact OE1-NH2 2.78Å; E71-R75 PolarHBondContact OE1-NH2 3.15Å; L73-R75 PolarHBondContact O-N 2.85Å; R75-S77 VanDerWaalsContact C-N 3.29Å; R75-S77 PolarHBondContact O-N 2.98Å; R75-S77 VanDerWaalsContact O-N 3.11Å; R75-Q215 VanDerWaalsContact NH1-CG 3.34Å
76Q95.1Very high93.5Very high67 Ų6756.1 Ų56.131%0.31330%0.297SS..  trans44.450.9173-73.7-73.1-2100113.1D74 G78 K79 F144 I147D74-Q76 HydrophobicContact CB-CG 4.18Å; D74-Q76 PolarHBondContact O-N 3.48Å; D74-Q76 VanDerWaalsContact O-N 3.13Å; D74-Q76 PolarHBondContact OD1-N 3.36Å; D74-Q76 PolarHBondContact OD2-NE2 3.3Å; Q76-G78 PolarHBondContact O-N 2.88Å; Q76-G78 VanDerWaalsContact O-N 3.1Å; Q76-K79 HydrophobicContact CB-CG 4.2Å; Q76-K79 WeakPolarHBondContact O-CB 3.34Å; Q76-K79 PolarHBondContact O-N 3.44Å; Q76-F144 HydrophobicContact CB-CE1 4.24Å; Q76-F144 HydrophobicContact CB-CZ 4.13Å; Q76-I147 HydrophobicContact CB-CD1 4.42Å; Q76-I147 HydrophobicContact CB-CG1 4.39Å; Q76-I147 HydrophobicContact CG-CB 4.35Å; Q76-I147 HydrophobicContact CG-CD1 3.87Å; Q76-I147 HydrophobicContact CG-CG1 3.97Å
77S94.7Very high93.8Very high76 Ų7661.8 Ų61.853%0.53132%0.323SS..G310 helixtrans-59-29.4-171.859.10000113.4R75 K79 R80R75-S77 VanDerWaalsContact C-N 3.29Å; R75-S77 PolarHBondContact O-N 2.98Å; R75-S77 VanDerWaalsContact O-N 3.11Å; S77-K79 PolarHBondContact O-N 3.19Å; S77-R80 VanDerWaalsContact O-CB 3.24Å; S77-R80 WeakPolarHBondContact O-CB 3.44Å; S77-R80 WeakPolarHBondContact O-CG 3.4Å; S77-R80 PolarHBondContact O-N 2.8Å; S77-R80 VanDerWaalsContact O-N 3.08Å
78G94.6Very high94.1Very high59 Ų5964.1 Ų64.161%0.60834%0.344SS*.G310 helixtrans-61.8-21.4174.300000114.4Q76 T81Q76-G78 PolarHBondContact O-N 2.88Å; Q76-G78 VanDerWaalsContact O-N 3.1Å; G78-T81 PolarHBondContact O-OG1 3.14Å
79K95.8Very high94.3Very high68 Ų6864.9 Ų64.930%0.29635%0.347SS..G310 helixtrans-80.9-15.6175.5-65.3-63.4-172.81750113.7Q76 S77 T81 D82 W85 F144Q76-K79 HydrophobicContact CB-CG 4.2Å; Q76-K79 WeakPolarHBondContact O-CB 3.34Å; Q76-K79 PolarHBondContact O-N 3.44Å; S77-K79 PolarHBondContact O-N 3.19Å; K79-T81 PolarHBondContact O-N 2.68Å; K79-D82 PolarHBondContact O-N 2.83Å; K79-D82 VanDerWaalsContact O-N 3.09Å; K79-W85 HydrophobicContact CB-CE3 3.82Å; K79-W85 HydrophobicContact CB-CH2 4.19Å; K79-W85 HydrophobicContact CB-CZ3 3.65Å; K79-W85 HydrophobicContact CD-CD2 4.01Å; K79-W85 HydrophobicContact CD-CE3 4.17Å; K79-W85 HydrophobicContact CD-CG 4.44Å; K79-W85 HydrophobicContact CD-CZ2 4.46Å; K79-W85 HydrophobicContact CD-CZ3 4.48Å; K79-W85 HydrophobicContact CG-CD2 4.5Å; K79-W85 HydrophobicContact CG-CE3 4.25Å; K79-W85 HydrophobicContact CG-CH2 4.18Å; K79-W85 HydrophobicContact CG-CZ2 4.41Å; K79-W85 HydrophobicContact CG-CZ3 4.1Å; K79-F144 HydrophobicContact CB-CE1 4.22Å
80R97.6Very high94.6Very high38 Ų3865.9 Ų65.914%0.14335%0.348CS..THydrogen-bonded Turntrans-62-31.5-176.2-70.9172.7-173.7169.50.5113.1S77 L86 F144 E240 G241 Y243S77-R80 VanDerWaalsContact O-CB 3.24Å; S77-R80 WeakPolarHBondContact O-CB 3.44Å; S77-R80 WeakPolarHBondContact O-CG 3.4Å; S77-R80 PolarHBondContact O-N 2.8Å; S77-R80 VanDerWaalsContact O-N 3.08Å; R80-L86 WeakPolarHBondContact O-CD1 3.14Å; R80-F144 HydrophobicContact CG-CD1 3.92Å; R80-F144 HydrophobicContact CG-CE1 4.45Å; R80-E240 HydrophobicContact CB-CB 4.25Å; R80-E240 WeakPolarHBondContact CB-O 3.4Å; R80-E240 CarbonylContact O-C 3.59Å; R80-E240 VanDerWaalsContact O-C 3.24Å; R80-E240 WeakPolarHBondContact O-CA 3.43Å; R80-G241 PolarHBondContact O-N 3.06Å; R80-Y243 HydrophobicContact CG-CD2 4.34Å
81T96.8Very high95Very high94 Ų9464.7 Ų64.758%0.57735%0.353SS*.THydrogen-bonded Turntrans-83.5-15.517949.80000113.5G78 K79 K83 E240G78-T81 PolarHBondContact O-OG1 3.14Å; K79-T81 PolarHBondContact O-N 2.68Å; T81-K83 PolarHBondContact O-N 3.06Å; T81-K83 VanDerWaalsContact O-N 3.16Å; T81-E240 HydrophobicContact CG2-CG 4Å
82D97.4Very high95.5Very high64 Ų6462.7 Ų62.734%0.34235%0.345SS..  trans-85.187-177.9-170.6-16.9000110.5K79 V84 W85 L86K79-D82 PolarHBondContact O-N 2.83Å; K79-D82 VanDerWaalsContact O-N 3.09Å; D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 PolarHBondContact O-N 2.94Å; D82-V84 PolarHBondContact OD1-N 3.42Å; D82-W85 HydrophobicContact CB-CB 3.95Å; D82-W85 PolarHBondContact O-N 2.67Å; D82-W85 WeakPolarHBondContact OD1-CB 3.32Å; D82-W85 PolarHBondContact OD1-N 2.68Å; D82-W85 VanDerWaalsContact OD2-CB 3.32Å; D82-W85 WeakPolarHBondContact OD2-CB 3.39Å; D82-L86 WeakPolarHBondContact O-CB 3.46Å; D82-L86 VanDerWaalsContact O-CG 3.32Å; D82-L86 WeakPolarHBondContact O-CG 3.46Å; D82-L86 PolarHBondContact O-N 3.49Å
83K95.4Very high95.7Very high129 Ų12965.1 Ų65.156%0.56136%0.363SS*.Hα-helixtrans-61.7-40-177.4-64.8-175.4-179.6-178.30112.7T81 L86 E87T81-K83 PolarHBondContact O-N 3.06Å; T81-K83 VanDerWaalsContact O-N 3.16Å; K83-L86 PolarHBondContact O-N 2.8Å; K83-E87 WeakPolarHBondContact O-CB 3.09Å; K83-E87 VanDerWaalsContact O-CG 3.29Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.55Å
84V96.9Very high95.7Very high110 Ų11069.2 Ų69.267%0.66738%0.382SS*.Hα-helixtrans-65.7-44.1-178.3-1800000109.9D82 A88D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 PolarHBondContact O-N 2.94Å; D82-V84 PolarHBondContact OD1-N 3.42Å; V84-A88 WeakPolarHBondContact O-CB 3.41Å; V84-A88 PolarHBondContact O-N 3.1Å
85W97.1Very high95.8Very high43 Ų4365.9 Ų65.916%0.16337%0.365CS..Hα-helixtrans-64.7-42.8175.6-177.886.9000112.2K79 D82 A88 K89 F144 I147 V170K79-W85 HydrophobicContact CB-CE3 3.82Å; K79-W85 HydrophobicContact CB-CH2 4.19Å; K79-W85 HydrophobicContact CB-CZ3 3.65Å; K79-W85 HydrophobicContact CD-CD2 4.01Å; K79-W85 HydrophobicContact CD-CE3 4.17Å; K79-W85 HydrophobicContact CD-CG 4.44Å; K79-W85 HydrophobicContact CD-CZ2 4.46Å; K79-W85 HydrophobicContact CD-CZ3 4.48Å; K79-W85 HydrophobicContact CG-CD2 4.5Å; K79-W85 HydrophobicContact CG-CE3 4.25Å; K79-W85 HydrophobicContact CG-CH2 4.18Å; K79-W85 HydrophobicContact CG-CZ2 4.41Å; K79-W85 HydrophobicContact CG-CZ3 4.1Å; D82-W85 HydrophobicContact CB-CB 3.95Å; D82-W85 PolarHBondContact O-N 2.67Å; D82-W85 WeakPolarHBondContact OD1-CB 3.32Å; D82-W85 PolarHBondContact OD1-N 2.68Å; D82-W85 VanDerWaalsContact OD2-CB 3.32Å; D82-W85 WeakPolarHBondContact OD2-CB 3.39Å; W85-A88 PolarHBondContact O-N 3.11Å; W85-K89 HydrophobicContact CD2-CG 4.02Å; W85-K89 HydrophobicContact CE3-CG 4.41Å; W85-K89 HydrophobicContact CH2-CG 4.17Å; W85-K89 HydrophobicContact CZ2-CD 4.5Å; W85-K89 HydrophobicContact CZ2-CG 3.76Å; W85-K89 HydrophobicContact CZ3-CG 4.48Å; W85-K89 WeakPolarHBondContact O-CB 3.42Å; W85-K89 WeakPolarHBondContact O-CG 3.48Å; W85-K89 PolarHBondContact O-N 2.78Å; W85-F144 HydrophobicContact CH2-CE2 4.12Å; W85-F144 HydrophobicContact CH2-CZ 4Å; W85-F144 HydrophobicContact CZ3-CE1 4.45Å; W85-F144 HydrophobicContact CZ3-CE2 4.13Å; W85-F144 HydrophobicContact CZ3-CZ 4.01Å; W85-I147 HydrophobicContact CH2-CD1 3.92Å; W85-I147 HydrophobicContact CH2-CG1 4.29Å; W85-I147 HydrophobicContact CZ2-CD1 3.88Å; W85-V170 HydrophobicContact CH2-CG1 3.98Å; W85-V170 HydrophobicContact CH2-CG2 4.2Å; W85-V170 HydrophobicContact CZ2-CG2 4.22Å
86L96.9Very high96Very high12 Ų1262 Ų626%0.06335%0.351CS..Hα-helixtrans-62.7-44.9177.4-73.8171000112.1R80 D82 K83 K89 Q90 F144 F172R80-L86 WeakPolarHBondContact O-CD1 3.14Å; D82-L86 WeakPolarHBondContact O-CB 3.46Å; D82-L86 VanDerWaalsContact O-CG 3.32Å; D82-L86 WeakPolarHBondContact O-CG 3.46Å; D82-L86 PolarHBondContact O-N 3.49Å; K83-L86 PolarHBondContact O-N 2.8Å; L86-K89 PolarHBondContact O-N 3.07Å; L86-Q90 VanDerWaalsContact O-CG 3.32Å; L86-Q90 WeakPolarHBondContact O-CG 3.48Å; L86-Q90 PolarHBondContact O-N 2.8Å; L86-F144 HydrophobicContact CD2-CB 3.92Å; L86-F144 HydrophobicContact CD2-CD1 4.16Å; L86-F144 HydrophobicContact CD2-CD2 4.21Å; L86-F144 HydrophobicContact CD2-CG 3.82Å; L86-F172 HydrophobicContact CD2-CE1 4.05Å; L86-F172 HydrophobicContact CD2-CZ 4.02Å
87E95.1Very high96.1Very high125 Ų12558.9 Ų58.958%0.58434%0.336SS*.Hα-helixtrans-62.6-45.2176.9-75169-169.800111.1K83 K89 Q90 S91K83-E87 WeakPolarHBondContact O-CB 3.09Å; K83-E87 VanDerWaalsContact O-CG 3.29Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.55Å; E87-K89 PolarHBondContact O-N 3.03Å; E87-Q90 PolarHBondContact O-N 2.82Å; E87-S91 PolarHBondContact O-N 2.96Å
88A96.3Very high96.2Very high56 Ų5655.3 Ų55.346%0.46331%0.311SS..Hα-helixtrans-59.7-46.1175.800000111.7V84 W85 Q90 S91 D92V84-A88 WeakPolarHBondContact O-CB 3.41Å; V84-A88 PolarHBondContact O-N 3.1Å; W85-A88 PolarHBondContact O-N 3.11Å; A88-Q90 VanDerWaalsContact C-N 3.33Å; A88-Q90 PolarHBondContact O-N 2.59Å; A88-S91 PolarHBondContact O-N 3.27Å; A88-S91 PolarHBondContact O-OG 3.35Å; A88-D92 PolarHBondContact O-N 3.23Å
89K96.6Very high96.3Very high21 Ų2152.7 Ų52.79%0.09128%0.283CS..Hα-helixtrans-71-24.5178.8-70.8-59.4-173.8178.60113.4W85 L86 E87 S91 D92 T95 E167 V170 F172W85-K89 HydrophobicContact CD2-CG 4.02Å; W85-K89 HydrophobicContact CE3-CG 4.41Å; W85-K89 HydrophobicContact CH2-CG 4.17Å; W85-K89 HydrophobicContact CZ2-CD 4.5Å; W85-K89 HydrophobicContact CZ2-CG 3.76Å; W85-K89 HydrophobicContact CZ3-CG 4.48Å; W85-K89 WeakPolarHBondContact O-CB 3.42Å; W85-K89 WeakPolarHBondContact O-CG 3.48Å; W85-K89 PolarHBondContact O-N 2.78Å; L86-K89 PolarHBondContact O-N 3.07Å; E87-K89 PolarHBondContact O-N 3.03Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 3.35Å; K89-D92 HydrophobicContact CD-CB 4.25Å; K89-D92 IonicContact NZ-OD2 3.71Å; K89-D92 PolarHBondContact NZ-OD2 3.49Å; K89-D92 WeakPolarHBondContact O-CB 3.47Å; K89-D92 PolarHBondContact O-N 2.87Å; K89-T95 WeakPolarHBondContact O-CB 3.05Å; K89-T95 PolarHBondContact O-OG1 2.92Å; K89-E167 IonicContact NZ-OE2 3.55Å; K89-E167 PolarHBondContact NZ-OE2 3.34Å; K89-V170 HydrophobicContact CB-CB 4.49Å; K89-V170 HydrophobicContact CB-CG1 4.24Å; K89-V170 HydrophobicContact CB-CG2 4.39Å; K89-V170 HydrophobicContact CD-CG2 3.81Å; K89-V170 HydrophobicContact CG-CG2 4.05Å; K89-F172 HydrophobicContact CB-CE2 4.44Å
90Q95.6Very high96.3Very high54 Ų5449.4 Ų49.425%0.25227%0.269SS..Hα-helixtrans-63.9-38172.4-80.117736.900111.9L86 E87 A88 Y97 Y128 F172L86-Q90 VanDerWaalsContact O-CG 3.32Å; L86-Q90 WeakPolarHBondContact O-CG 3.48Å; L86-Q90 PolarHBondContact O-N 2.8Å; E87-Q90 PolarHBondContact O-N 2.82Å; A88-Q90 VanDerWaalsContact C-N 3.33Å; A88-Q90 PolarHBondContact O-N 2.59Å; Q90-Y97 WeakPolarHBondContact CA-OH 3.42Å; Q90-Y97 WeakPolarHBondContact CB-OH 3.48Å; Q90-Y97 PolarHBondContact O-OH 3.49Å; Q90-Y128 WeakPolarHBondContact O-CD2 3.47Å; Q90-F172 HydrophobicContact CG-CD1 4.43Å; Q90-F172 HydrophobicContact CG-CE1 3.93Å; Q90-F172 HydrophobicContact CG-CE2 4.19Å; Q90-F172 HydrophobicContact CG-CZ 3.79Å
91S95.2Very high96Very high63 Ų6348 Ų4844%0.44127%0.265SS..THydrogen-bonded Turntrans-86.5-1.1178.255.50000115.4E87 A88 K89E87-S91 PolarHBondContact O-N 2.96Å; A88-S91 PolarHBondContact O-N 3.27Å; A88-S91 PolarHBondContact O-OG 3.35Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 3.35Å
92D95.6Very high95.6Very high46 Ų4650.4 Ų50.425%0.24627%0.274CS..  trans-71.3136.7-178.6-170.5-37.1000110.7A88 K89 E94 T95A88-D92 PolarHBondContact O-N 3.23Å; K89-D92 HydrophobicContact CD-CB 4.25Å; K89-D92 IonicContact NZ-OD2 3.71Å; K89-D92 PolarHBondContact NZ-OD2 3.49Å; K89-D92 WeakPolarHBondContact O-CB 3.47Å; K89-D92 PolarHBondContact O-N 2.87Å; D92-E94 VanDerWaalsContact C-N 3.25Å; D92-E94 PolarHBondContact O-N 3.43Å; D92-E94 PolarHBondContact OD1-N 3.43Å; D92-T95 WeakPolarHBondContact O-CB 3.33Å; D92-T95 PolarHBondContact O-N 2.69Å
93S93.5Very high95.3Very high81 Ų8148.7 Ų48.757%0.56627%0.265SS*.THydrogen-bonded Turntrans-66-27.9-177.956.50000113T95S93-T95 VanDerWaalsContact C-N 3.34Å
94E94.5Very high95.2Very high90 Ų9043.2 Ų43.242%0.42124%0.243SC..THydrogen-bonded Turntrans-87.8-3.2-179.6-65-51.6123.100113.4D92 R127 P169D92-E94 VanDerWaalsContact C-N 3.25Å; D92-E94 PolarHBondContact O-N 3.43Å; D92-E94 PolarHBondContact OD1-N 3.43Å; E94-R127 PolarHBondContact O-NH1 3.41Å; E94-R127 IonicContact OE2-NH2 3.26Å; E94-P169 VanDerWaalsContact O-CB 3.27Å; E94-P169 WeakPolarHBondContact O-CB 3.37Å
95T97Very high95.1Very high1 Ų138.1 Ų38.11%0.00621%0.212CC..  trans-66.9141.6175.3-70.50000111.4K89 D92 S93 Y97 R127 V170 F172K89-T95 WeakPolarHBondContact O-CB 3.05Å; K89-T95 PolarHBondContact O-OG1 2.92Å; D92-T95 WeakPolarHBondContact O-CB 3.33Å; D92-T95 PolarHBondContact O-N 2.69Å; S93-T95 VanDerWaalsContact C-N 3.34Å; T95-Y97 HydrophobicContact CG2-CD2 4.01Å; T95-Y97 HydrophobicContact CG2-CE2 3.45Å; T95-Y97 VanDerWaalsContact CG2-CE2 3.45Å; T95-R127 WeakPolarHBondContact O-CD 3.16Å; T95-R127 PolarHBondContact O-NH1 3.44Å; T95-V170 WeakPolarHBondContact CA-O 3.41Å; T95-V170 WeakPolarHBondContact CG2-O 3.34Å; T95-F172 HydrophobicContact CG2-CD2 3.51Å; T95-F172 HydrophobicContact CG2-CE2 3.84Å
96V97.6Very high95Very high6 Ų636.1 Ų36.14%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-107.3129.1179177.60000109.3R125 R127 P169 V170 W171 F172V96-R125 HydrophobicContact CG1-CB 3.99Å; V96-R125 HydrophobicContact CG1-CG 4.08Å; V96-R127 VanDerWaalsContact CG2-NH1 3.35Å; V96-P169 HydrophobicContact CG2-CB 4.15Å; V96-V170 PolarHBondContact N-O 3.45Å; V96-W171 HydrophobicContact CB-CD2 3.83Å; V96-W171 HydrophobicContact CB-CE3 4.36Å; V96-W171 HydrophobicContact CB-CG 3.99Å; V96-W171 HydrophobicContact CB-CZ2 4.48Å; V96-W171 HydrophobicContact CG1-CD2 3.72Å; V96-W171 HydrophobicContact CG1-CE3 3.76Å; V96-W171 HydrophobicContact CG1-CG 4.37Å; V96-W171 HydrophobicContact CG1-CH2 4.13Å; V96-W171 HydrophobicContact CG1-CZ2 4.07Å; V96-W171 HydrophobicContact CG1-CZ3 3.97Å; V96-W171 HydrophobicContact CG2-CD2 4.47Å; V96-W171 HydrophobicContact CG2-CZ2 4.42Å; V96-W171 CarbonylContact O-C 3.58Å; V96-W171 WeakPolarHBondContact O-CA 3.27Å; V96-F172 PolarHBondContact O-N 2.85Å
97Y97.8Very high94.9Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-113.3131.4175.5-71.2-85.9000111.2Q90 T95 F126 V131 L135 F172 I174Q90-Y97 WeakPolarHBondContact CA-OH 3.42Å; Q90-Y97 WeakPolarHBondContact CB-OH 3.48Å; Q90-Y97 PolarHBondContact O-OH 3.49Å; T95-Y97 HydrophobicContact CG2-CD2 4.01Å; T95-Y97 HydrophobicContact CG2-CE2 3.45Å; T95-Y97 VanDerWaalsContact CG2-CE2 3.45Å; Y97-F126 PolarHBondContact N-O 3.27Å; Y97-F126 PolarHBondContact O-N 3.24Å; Y97-V131 HydrophobicContact CD1-CG2 4.08Å; Y97-V131 HydrophobicContact CD2-CG2 3.59Å; Y97-V131 HydrophobicContact CE1-CG2 4.36Å; Y97-V131 HydrophobicContact CE2-CG2 3.9Å; Y97-V131 HydrophobicContact CG-CG2 3.68Å; Y97-L135 HydrophobicContact CE1-CD1 4.12Å; Y97-L135 HydrophobicContact CE1-CD2 4.05Å; Y97-L135 WeakPolarHBondContact OH-CD1 3.35Å; Y97-F172 WeakPolarHBondContact CA-O 3.37Å; Y97-F172 HydrophobicContact CD1-CB 3.71Å; Y97-F172 HydrophobicContact CE1-CB 3.66Å; Y97-F172 HydrophobicContact CE1-CD2 4.23Å; Y97-F172 HydrophobicContact CE1-CG 4.08Å; Y97-I174 HydrophobicContact CD1-CG2 3.86Å; Y97-I174 HydrophobicContact CE1-CG2 4.23Å
98L97.2Very high94.7Very high2 Ų232.8 Ų32.81%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-101.3120.6167-59.9-176.1000109.3F100 L123 R125 L145 W171 F172 A173 I174 V212L98-F100 HydrophobicContact CB-CD2 4.44Å; L98-F100 HydrophobicContact CB-CE2 3.89Å; L98-L123 HydrophobicContact CD1-CD1 4.04Å; L98-L123 HydrophobicContact CD2-CB 4.18Å; L98-L123 HydrophobicContact CD2-CD1 4.12Å; L98-R125 HydrophobicContact CD2-CG 4.38Å; L98-L145 HydrophobicContact CD1-CD1 3.92Å; L98-L145 HydrophobicContact CG-CD1 4.48Å; L98-W171 HydrophobicContact CD1-CE3 4.18Å; L98-W171 HydrophobicContact CD1-CZ3 4.17Å; L98-W171 HydrophobicContact CD2-CE3 4.37Å; L98-W171 HydrophobicContact CD2-CZ3 3.99Å; L98-W171 HydrophobicContact CG-CE3 4.18Å; L98-W171 HydrophobicContact CG-CZ3 4.24Å; L98-F172 PolarHBondContact N-O 2.88Å; L98-A173 HydrophobicContact CB-CB 4.32Å; L98-A173 CarbonylContact O-C 3.59Å; L98-A173 VanDerWaalsContact O-CA 3.31Å; L98-A173 WeakPolarHBondContact O-CA 3.44Å; L98-I174 WeakPolarHBondContact O-CG1 3.07Å; L98-I174 PolarHBondContact O-N 3.48Å; L98-V212 HydrophobicContact CD1-CG1 3.63Å
99L95.9Very high94.2Very high3 Ų333 Ų332%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-92.5129.7-179.3-173.798.4000110.8M106 F126 L134 I174 L183 F194L99-M106 HydrophobicContact CD2-CB 4.47Å; L99-M106 HydrophobicContact CD2-CE 3.34Å; L99-M106 HydrophobicContact CD2-SD 4.42Å; L99-M106 PolarHBondContact O-N 3.02Å; L99-F126 HydrophobicContact CB-CD2 4.07Å; L99-F126 HydrophobicContact CB-CE2 3.85Å; L99-L134 HydrophobicContact CD1-CD1 3.42Å; L99-L134 VanDerWaalsContact CD1-CD1 3.42Å; L99-I174 HydrophobicContact CB-CD1 4.49Å; L99-I174 HydrophobicContact CB-CG1 4.31Å; L99-I174 HydrophobicContact CD1-CD1 3.5Å; L99-I174 VanDerWaalsContact CD1-CD1 3.5Å; L99-I174 HydrophobicContact CD1-CG1 3.84Å; L99-I174 HydrophobicContact CG-CG1 4.49Å; L99-L183 HydrophobicContact CD1-CD2 4.08Å; L99-L183 HydrophobicContact CD2-CB 3.91Å; L99-L183 HydrophobicContact CD2-CD1 4.04Å; L99-L183 HydrophobicContact CD2-CD2 3.98Å; L99-L183 HydrophobicContact CD2-CG 4.18Å; L99-F194 HydrophobicContact CD2-CZ 3.95Å
100F95.4Very high93Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-117.5142.3175.7-73.8-107000110.6L98 S104 P105 A173 I174 N175 V213 A216 R217 L220L98-F100 HydrophobicContact CB-CD2 4.44Å; L98-F100 HydrophobicContact CB-CE2 3.89Å; F100-S104 VanDerWaalsContact CA-O 3.28Å; F100-S104 WeakPolarHBondContact CA-O 3.3Å; F100-P105 HydrophobicContact CD1-CB 4.09Å; F100-P105 HydrophobicContact CE1-CB 3.65Å; F100-P105 HydrophobicContact CE1-CG 4.11Å; F100-P105 HydrophobicContact CE2-CB 4.25Å; F100-P105 HydrophobicContact CZ-CB 3.73Å; F100-P105 HydrophobicContact CZ-CG 4.49Å; F100-A173 HydrophobicContact CD2-CB 4.06Å; F100-A173 HydrophobicContact CE2-CB 3.85Å; F100-I174 PolarHBondContact N-O 3.08Å; F100-N175 HydrophobicContact CB-CB 4.15Å; F100-N175 PolarHBondContact O-OD1 2.94Å; F100-V213 HydrophobicContact CE1-CG1 4.48Å; F100-V213 HydrophobicContact CZ-CG1 4.48Å; F100-A216 HydrophobicContact CE2-CB 3.82Å; F100-A216 HydrophobicContact CZ-CB 3.65Å; F100-R217 HydrophobicContact CE1-CB 4.08Å; F100-L220 HydrophobicContact CB-CD1 3.79Å; F100-L220 HydrophobicContact CD1-CD1 3.88Å; F100-L220 HydrophobicContact CD2-CD1 3.67Å; F100-L220 HydrophobicContact CE1-CD1 4.38Å; F100-L220 HydrophobicContact CE2-CD1 4.2Å; F100-L220 HydrophobicContact CG-CD1 3.5Å
101S92.1Very high91.1Very high8 Ų841 Ų416%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-129125.6167.4-178.70000108.1L103 S104S101-L103 PolarHBondContact O-N 3.35Å; S101-S104 PolarHBondContact N-O 3.5Å; S101-S104 WeakPolarHBondContact O-CB 3.46Å; S101-S104 PolarHBondContact O-N 3.02Å
102N88.8Confident88.9Confident144 Ų14444.3 Ų44.377%0.7723%0.227SC*.THydrogen-bonded Turntrans48.942.9-176.3-66.7-37.5000113.5S104N102-S104 PolarHBondContact O-N 3.23Å
103L91.5Very high86.4Confident29 Ų2950.3 Ų50.315%0.15226%0.26CS..THydrogen-bonded Turntrans66.15.4-177.1-48.6175000115.5S101 R217 L220 A221S101-L103 PolarHBondContact O-N 3.35Å; L103-R217 HydrophobicContact CB-CG 4.29Å; L103-R217 WeakPolarHBondContact O-CD 3.25Å; L103-R217 WeakPolarHBondContact O-CG 3.4Å; L103-R217 PolarHBondContact O-NE 3.13Å; L103-R217 VanDerWaalsContact O-NE 3.08Å; L103-L220 HydrophobicContact CD2-CB 3.75Å; L103-A221 HydrophobicContact CD1-CB 3.7Å; L103-A221 HydrophobicContact CD2-CB 4.09Å
104S93.3Very high84.1Confident14 Ų1450.7 Ų50.710%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-93.6126.4171.3-77.50000109.8F100 S101 N102 F194 P195F100-S104 VanDerWaalsContact CA-O 3.28Å; F100-S104 WeakPolarHBondContact CA-O 3.3Å; S101-S104 PolarHBondContact N-O 3.5Å; S101-S104 WeakPolarHBondContact O-CB 3.46Å; S101-S104 PolarHBondContact O-N 3.02Å; N102-S104 PolarHBondContact O-N 3.23Å; S104-F194 VanDerWaalsContact O-CD1 3.27Å; S104-F194 WeakPolarHBondContact O-CD1 3.21Å; S104-P195 PolarHBondContact OG-O 3.47Å
105P95.1Very high81.7Confident2 Ų249.8 Ų49.81%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-69.9147.4174.328.9-32.7000110.2F100 V107 L123 P195 L202 V213F100-P105 HydrophobicContact CD1-CB 4.09Å; F100-P105 HydrophobicContact CE1-CB 3.65Å; F100-P105 HydrophobicContact CE1-CG 4.11Å; F100-P105 HydrophobicContact CE2-CB 4.25Å; F100-P105 HydrophobicContact CZ-CB 3.73Å; F100-P105 HydrophobicContact CZ-CG 4.49Å; P105-V107 HydrophobicContact CG-CG1 4.25Å; P105-V107 PolarHBondContact O-N 2.59Å; P105-L123 HydrophobicContact CB-CD2 3.84Å; P105-L123 HydrophobicContact CG-CD2 4.3Å; P105-P195 WeakPolarHBondContact O-CD 3.5Å; P105-L202 HydrophobicContact CG-CD2 3.66Å; P105-V213 HydrophobicContact CB-CG2 4.39Å; P105-V213 HydrophobicContact CG-CG1 4.12Å; P105-V213 HydrophobicContact CG-CG2 4.25Å
106M94.8Very high79.1Confident2 Ų258.3 Ų58.31%0.0132%0.32CS..PPolyproline II helixtrans-71.9126.8167.5-167.3-177.4-74.100109.5L99 C124 F126 L183 L184 C187 C192 F194L99-M106 HydrophobicContact CD2-CB 4.47Å; L99-M106 HydrophobicContact CD2-CE 3.34Å; L99-M106 HydrophobicContact CD2-SD 4.42Å; L99-M106 PolarHBondContact O-N 3.02Å; M106-C124 HydrophobicContact CB-CB 4.23Å; M106-C124 HydrophobicContact CG-CB 4.06Å; M106-C124 PolarHBondContact O-N 2.89Å; M106-C124 VanDerWaalsContact O-N 3.08Å; M106-C124 HydrophobicContact SD-CB 4.15Å; M106-F126 HydrophobicContact CE-CZ 4.33Å; M106-F126 HydrophobicContact SD-CE2 3.99Å; M106-F126 HydrophobicContact SD-CZ 3.53Å; M106-F126 VanDerWaalsContact SD-CZ 3.53Å; M106-L183 HydrophobicContact CE-CB 4.09Å; M106-L183 WeakPolarHBondContact CE-O 3.4Å; M106-L184 HydrophobicContact CE-CD2 4Å; M106-L184 HydrophobicContact CG-CD2 4.43Å; M106-L184 HydrophobicContact SD-CD2 4.37Å; M106-C187 HydrophobicContact SD-CB 3.96Å; M106-C192 HydrophobicContact CG-CB 4.31Å; M106-C192 HydrophobicContact SD-CB 4.07Å; M106-F194 HydrophobicContact CB-CD1 4.19Å; M106-F194 HydrophobicContact CB-CE1 3.64Å; M106-F194 HydrophobicContact CB-CZ 4.02Å; M106-F194 HydrophobicContact CE-CE1 4.36Å; M106-F194 HydrophobicContact CE-CE2 3.81Å; M106-F194 HydrophobicContact CE-CZ 3.54Å; M106-F194 HydrophobicContact CG-CE1 4.29Å; M106-F194 HydrophobicContact CG-CZ 4.3Å
107V93.9Very high76.7Confident0 Ų060.2 Ų60.20%034%0.336CS..EExtended strand (participates in β ladder)trans-127160-179-59.10000110P105 M121 K122 L123 C124 C192 S193 P195 L205P105-V107 HydrophobicContact CG-CG1 4.25Å; P105-V107 PolarHBondContact O-N 2.59Å; V107-M121 HydrophobicContact CB-CG 3.57Å; V107-M121 HydrophobicContact CB-SD 3.89Å; V107-M121 HydrophobicContact CG1-CG 3.91Å; V107-M121 HydrophobicContact CG1-SD 3.79Å; V107-M121 HydrophobicContact CG2-CE 4.03Å; V107-M121 HydrophobicContact CG2-CG 3.75Å; V107-M121 HydrophobicContact CG2-SD 3.66Å; V107-K122 CarbonylContact C-O 3.51Å; V107-K122 VanDerWaalsContact CA-O 3.28Å; V107-K122 WeakPolarHBondContact CA-O 3.11Å; V107-L123 HydrophobicContact CG1-CD2 4.22Å; V107-C124 VanDerWaalsContact C-SG 3.52Å; V107-C192 CarbonylContact O-C 3.49Å; V107-C192 VanDerWaalsContact O-CA 3.26Å; V107-C192 WeakPolarHBondContact O-CA 3.38Å; V107-S193 WeakPolarHBondContact CG2-O 3.22Å; V107-S193 PolarHBondContact N-O 3.38Å; V107-S193 PolarHBondContact O-N 3.02Å; V107-S193 VanDerWaalsContact O-O 3.12Å; V107-P195 HydrophobicContact CG1-CG 4.14Å; V107-P195 HydrophobicContact CG2-CG 3.95Å; V107-L205 HydrophobicContact CG1-CD2 4.21Å
108R91.2Very high74.5Confident66 Ų6664.1 Ų64.125%0.24935%0.354CS..EExtended strand (participates in β ladder)trans-120.2143.9169.455.7171.8-172.1142.51109.9M121 K122 E189 N191R108-M121 WeakPolarHBondContact O-CA 3.46Å; R108-K122 HydrophobicContact CG-CB 4.02Å; R108-K122 WeakPolarHBondContact CG-O 3.38Å; R108-K122 PolarHBondContact N-O 3.45Å; R108-K122 PolarHBondContact O-N 3.34Å; R108-E189 WeakPolarHBondContact CD-OE2 3.45Å; R108-E189 IonicContact CZ-OE1 2.85Å; R108-E189 IonicContact CZ-OE2 3.3Å; R108-E189 IonicContact NE-OE1 3.64Å; R108-E189 IonicContact NE-OE2 2.85Å; R108-E189 IonicContact NH1-OE1 3.49Å; R108-E189 PolarHBondContact NH1-OE1 2.86Å; R108-E189 IonicContact NH1-OE2 2.87Å; R108-E189 PolarHBondContact NH1-OE2 3.47Å; R108-N191 WeakPolarHBondContact CA-O 3.32Å
109T85.3Confident72.6Confident60 Ų6065.1 Ų65.137%0.36837%0.365SS..EExtended strand (participates in β ladder)trans-102.6127.1174.7-510000109.3D120 N191T109-D120 WeakPolarHBondContact CA-O 3.25Å; T109-N191 PolarHBondContact N-O 2.82Å; T109-N191 PolarHBondContact O-ND2 2.78Å
110Q71.9Confident71.6Confident71 Ų7166.8 Ų66.833%0.33237%0.374SS..  trans-77.6120.8169.1-56.7-161.9-67.700107.8E112 D120Q110-E112 PolarHBondContact O-N 2.86Å; Q110-D120 PolarHBondContact N-O 3.26Å
111Q55.4Low71.3Confident173 Ų17367.6 Ų67.681%0.80838%0.378SS*.  trans-78.1102.5168.9-89.6-180-2400107.4
112E50.1Low71.2Confident132 Ų13270.7 Ų70.762%0.61739%0.39SS*.  trans-105.2136.2158.1-75.8-171.1172.700108.8Q110 G114Q110-E112 PolarHBondContact O-N 2.86Å; E112-G114 PolarHBondContact O-N 3.09Å
113D42.6Very low71.5Confident173 Ų17364.1 Ų64.193%0.92536%0.355SS*.SBendtrans-58.1105.1-178.4-79.3-35.8000111.2S115D113-S115 PolarHBondContact O-N 3.07Å
114G45.6Very low71.6Confident88 Ų8863 Ų6391%0.90735%0.35SS*.SBendtrans84.93.9151.600000119E112E112-G114 PolarHBondContact O-N 3.09Å
115S43.7Very low71.7Confident71 Ų7168.4 Ų68.450%0.49737%0.368SS..  trans-129.3115.3169.861.80000111.4D113 A117D113-S115 PolarHBondContact O-N 3.07Å; S115-A117 VanDerWaalsContact C-N 3.3Å; S115-A117 PolarHBondContact O-N 2.99Å
116E42.8Very low71.7Confident181 Ų18168.7 Ų68.785%0.84637%0.369SS*.  trans-65.790.4167.6-70.6-170.9142.500108.7
117A46.7Very low71.7Confident46 Ų4673.2 Ų73.238%0.3839%0.386SS..  trans-91156.217700000110S115 G119 D120S115-A117 VanDerWaalsContact C-N 3.3Å; S115-A117 PolarHBondContact O-N 2.99Å; A117-G119 PolarHBondContact O-N 3.43Å; A117-D120 PolarHBondContact N-OD2 3.2Å; A117-D120 VanDerWaalsContact O-OD1 3.14Å; A117-D120 VanDerWaalsContact O-OD2 3.07Å
118Q50.7Low71.8Confident82 Ų8276.3 Ų76.338%0.38340%0.398SS..THydrogen-bonded Turntrans-76.7124.6174.7-178.2150.3-32.700109.6
119G57.9Low71.9Confident23 Ų2378.8 Ų78.824%0.23741%0.413CS..THydrogen-bonded Turntrans106.77.3-175.600000114.8A117 M121 K204A117-G119 PolarHBondContact O-N 3.43Å; G119-M121 PolarHBondContact O-N 3.18Å; G119-K204 PolarHBondContact N-O 2.88Å
120D75.4Confident72.3Confident38 Ų3878 Ų7820%0.20341%0.405CS..  trans-66.5-18.2178.4-65.8-5.6000113.4T109 Q110 A117T109-D120 WeakPolarHBondContact CA-O 3.25Å; Q110-D120 PolarHBondContact N-O 3.26Å; A117-D120 PolarHBondContact N-OD2 3.2Å; A117-D120 VanDerWaalsContact O-OD1 3.14Å; A117-D120 VanDerWaalsContact O-OD2 3.07Å
121M87.9Confident73.4Confident17 Ų1774.6 Ų74.68%0.08439%0.389CS..EExtended strand (participates in β ladder)trans-102.1127.6178.1-170.5-179.7-73.100110.4V107 R108 G119 P195 D201 K204 L205V107-M121 HydrophobicContact CB-CG 3.57Å; V107-M121 HydrophobicContact CB-SD 3.89Å; V107-M121 HydrophobicContact CG1-CG 3.91Å; V107-M121 HydrophobicContact CG1-SD 3.79Å; V107-M121 HydrophobicContact CG2-CE 4.03Å; V107-M121 HydrophobicContact CG2-CG 3.75Å; V107-M121 HydrophobicContact CG2-SD 3.66Å; R108-M121 WeakPolarHBondContact O-CA 3.46Å; G119-M121 PolarHBondContact O-N 3.18Å; M121-P195 HydrophobicContact SD-CG 4.35Å; M121-D201 HydrophobicContact CE-CB 4.42Å; M121-K204 HydrophobicContact CB-CB 4.1Å; M121-K204 HydrophobicContact CE-CB 4.47Å; M121-K204 HydrophobicContact CE-CD 4.47Å; M121-L205 HydrophobicContact CB-CD2 4.22Å; M121-L205 HydrophobicContact CG-CD2 3.79Å; M121-L205 HydrophobicContact SD-CD2 4.07Å; M121-L205 HydrophobicContact SD-CG 4.37Å
122K91.7Very high75.2Confident72 Ų7270.4 Ų70.431%0.31337%0.368SS..EExtended strand (participates in β ladder)trans-124.3148.8176.8-69.2-178.6174.7161.80111.3V107 R108 E209V107-K122 CarbonylContact C-O 3.51Å; V107-K122 VanDerWaalsContact CA-O 3.28Å; V107-K122 WeakPolarHBondContact CA-O 3.11Å; R108-K122 HydrophobicContact CG-CB 4.02Å; R108-K122 WeakPolarHBondContact CG-O 3.38Å; R108-K122 PolarHBondContact N-O 3.45Å; R108-K122 PolarHBondContact O-N 3.34Å; K122-E209 WeakPolarHBondContact CA-OE2 3.22Å
123L93.6Very high77.3Confident6 Ų667.1 Ų67.13%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-68.2137174-68172.6000111.5L98 P105 V107 L205 E209 V213L98-L123 HydrophobicContact CD1-CD1 4.04Å; L98-L123 HydrophobicContact CD2-CB 4.18Å; L98-L123 HydrophobicContact CD2-CD1 4.12Å; P105-L123 HydrophobicContact CB-CD2 3.84Å; P105-L123 HydrophobicContact CG-CD2 4.3Å; V107-L123 HydrophobicContact CG1-CD2 4.22Å; L123-L205 HydrophobicContact CD2-CD1 4.49Å; L123-L205 HydrophobicContact CD2-CD2 4.36Å; L123-L205 HydrophobicContact CG-CD2 4.37Å; L123-E209 HydrophobicContact CD1-CB 3.63Å; L123-E209 HydrophobicContact CD1-CG 3.88Å; L123-E209 HydrophobicContact CG-CB 4Å; L123-E209 HydrophobicContact CG-CG 4.23Å; L123-E209 PolarHBondContact N-OE2 3.44Å; L123-E209 VanDerWaalsContact N-OE2 3.08Å; L123-V213 HydrophobicContact CD1-CG2 3.83Å; L123-V213 HydrophobicContact CD2-CG2 3.6Å; L123-V213 HydrophobicContact CG-CG2 4.26Å
124C94.3Very high79.7Confident7 Ų758.9 Ų58.95%0.04731%0.311CS..  trans-75.6126.7165.7-64.30000108.9M106 V107 F126 C187 C192M106-C124 HydrophobicContact CB-CB 4.23Å; M106-C124 HydrophobicContact CG-CB 4.06Å; M106-C124 PolarHBondContact O-N 2.89Å; M106-C124 VanDerWaalsContact O-N 3.08Å; M106-C124 HydrophobicContact SD-CB 4.15Å; V107-C124 VanDerWaalsContact C-SG 3.52Å; C124-F126 HydrophobicContact CB-CE2 3.71Å; C124-F126 HydrophobicContact CB-CZ 4.07Å; C124-C187 VanDerWaalsContact SG-SG 3.64Å; C124-C192 VanDerWaalsContact SG-SG 3.64Å
125R94.7Very high82Confident126 Ų12656.4 Ų56.448%0.47528%0.277SS..  trans-111.9126.5-179.6-61.9-179.9-164.9-171.40.1108.5V96 L98 E209V96-R125 HydrophobicContact CG1-CB 3.99Å; V96-R125 HydrophobicContact CG1-CG 4.08Å; L98-R125 HydrophobicContact CD2-CG 4.38Å; R125-E209 IonicContact CZ-OE1 3.97Å; R125-E209 IonicContact NE-OE1 3.34Å; R125-E209 IonicContact NH2-OE1 2.73Å; R125-E209 PolarHBondContact NH2-OE1 2.96Å
126F95.3Very high84.3Confident8 Ų860.3 Ų60.34%0.03529%0.291CS..BIsolated β-bridgetrans-111.7151.8-178.3-63.4-89.4000111.3Y97 L99 M106 C124 E130 V131Y97-F126 PolarHBondContact N-O 3.27Å; Y97-F126 PolarHBondContact O-N 3.24Å; L99-F126 HydrophobicContact CB-CD2 4.07Å; L99-F126 HydrophobicContact CB-CE2 3.85Å; M106-F126 HydrophobicContact CE-CZ 4.33Å; M106-F126 HydrophobicContact SD-CE2 3.99Å; M106-F126 HydrophobicContact SD-CZ 3.53Å; M106-F126 VanDerWaalsContact SD-CZ 3.53Å; C124-F126 HydrophobicContact CB-CE2 3.71Å; C124-F126 HydrophobicContact CB-CZ 4.07Å; F126-E130 HydrophobicContact CB-CB 4.41Å; F126-E130 HydrophobicContact CD1-CB 4.05Å; F126-V131 HydrophobicContact CB-CG1 3.69Å; F126-V131 HydrophobicContact CD1-CG1 4.49Å; F126-V131 HydrophobicContact CG-CG1 4.12Å
127R95.7Very high86.7Confident97 Ų9755.4 Ų55.437%0.36627%0.267SS..  trans-99165.3170.5-57.7-53.2-168.1166.211.4111E94 T95 V96 E129 E130E94-R127 PolarHBondContact O-NH1 3.41Å; E94-R127 IonicContact OE2-NH2 3.26Å; T95-R127 WeakPolarHBondContact O-CD 3.16Å; T95-R127 PolarHBondContact O-NH1 3.44Å; V96-R127 VanDerWaalsContact CG2-NH1 3.35Å; R127-E129 VanDerWaalsContact C-N 3.28Å; R127-E129 PolarHBondContact O-N 3.03Å; R127-E130 PolarHBondContact N-OE2 3.14Å; R127-E130 WeakPolarHBondContact O-CB 3.32Å; R127-E130 PolarHBondContact O-N 3.4Å
128Y95.3Very high88.6Confident65 Ų6560 Ų6026%0.25529%0.292SS..Hα-helixtrans-49.7-46.2-178.4173.2-112.8000113.2Q90 E130 V131 K132 L135Q90-Y128 WeakPolarHBondContact O-CD2 3.47Å; Y128-E130 PolarHBondContact O-N 3.47Å; Y128-E130 VanDerWaalsContact O-N 3.07Å; Y128-V131 PolarHBondContact O-N 3.45Å; Y128-V131 VanDerWaalsContact O-N 3.09Å; Y128-K132 HydrophobicContact CD2-CB 4.22Å; Y128-K132 HydrophobicContact CE1-CB 4.17Å; Y128-K132 HydrophobicContact CE2-CB 3.78Å; Y128-K132 WeakPolarHBondContact O-CB 3.44Å; Y128-K132 PolarHBondContact O-N 3.13Å; Y128-L135 HydrophobicContact CD2-CD1 3.89Å; Y128-L135 HydrophobicContact CE2-CD1 3.92Å
129E94.1Very high90.5Very high119 Ų11958.2 Ų58.256%0.55629%0.289SS*.Hα-helixtrans-58.4-25.7-179.1-71.9-59.313700114.4R127 K132R127-E129 VanDerWaalsContact C-N 3.28Å; R127-E129 PolarHBondContact O-N 3.03Å; E129-K132 WeakPolarHBondContact OE2-CE 3.5Å; E129-K132 IonicContact OE2-NZ 2.67Å; E129-K132 PolarHBondContact OE2-NZ 2.73Å
130E93.2Very high92.2Very high42 Ų4258 Ų5820%0.19628%0.284CS..Hα-helixtrans-88.6-16.7-176.4-57176.9119.100112.8F126 R127 Y128 R188F126-E130 HydrophobicContact CB-CB 4.41Å; F126-E130 HydrophobicContact CD1-CB 4.05Å; R127-E130 PolarHBondContact N-OE2 3.14Å; R127-E130 WeakPolarHBondContact O-CB 3.32Å; R127-E130 PolarHBondContact O-N 3.4Å; Y128-E130 PolarHBondContact O-N 3.47Å; Y128-E130 VanDerWaalsContact O-N 3.07Å; E130-R188 IonicContact OE1-CZ 3.43Å; E130-R188 IonicContact OE1-NE 2.75Å; E130-R188 PolarHBondContact OE1-NE 2.83Å; E130-R188 IonicContact OE1-NH2 2.69Å; E130-R188 PolarHBondContact OE1-NH2 3.05Å; E130-R188 VanDerWaalsContact OE1-NH2 3.12Å
131V94.3Very high93.1Very high1 Ų157.5 Ų57.51%0.00628%0.282CS..Hα-helixtrans-126.4-2.8-175.6-580000113.9Y97 F126 Y128 D133 L134 L135 I174Y97-V131 HydrophobicContact CD1-CG2 4.08Å; Y97-V131 HydrophobicContact CD2-CG2 3.59Å; Y97-V131 HydrophobicContact CE1-CG2 4.36Å; Y97-V131 HydrophobicContact CE2-CG2 3.9Å; Y97-V131 HydrophobicContact CG-CG2 3.68Å; F126-V131 HydrophobicContact CB-CG1 3.69Å; F126-V131 HydrophobicContact CD1-CG1 4.49Å; F126-V131 HydrophobicContact CG-CG1 4.12Å; Y128-V131 PolarHBondContact O-N 3.45Å; Y128-V131 VanDerWaalsContact O-N 3.09Å; V131-D133 PolarHBondContact O-N 3.4Å; V131-D133 VanDerWaalsContact O-N 3.14Å; V131-L134 HydrophobicContact CB-CD1 4.46Å; V131-L134 WeakPolarHBondContact O-CA 3.41Å; V131-L134 VanDerWaalsContact O-CB 3.32Å; V131-L134 WeakPolarHBondContact O-CB 3.07Å; V131-L134 PolarHBondContact O-N 3.04Å; V131-L135 HydrophobicContact CG2-CD1 4.17Å; V131-L135 HydrophobicContact CG2-CG 4.4Å; V131-L135 PolarHBondContact O-N 2.83Å; V131-I174 HydrophobicContact CB-CD1 3.78Å; V131-I174 HydrophobicContact CG1-CD1 3.67Å; V131-I174 HydrophobicContact CG2-CD1 4.36Å
132K94.6Very high93.6Very high84 Ų8458 Ų5837%0.36529%0.285SS..Hα-helixtrans-54.5-35.8-175.663.6-177.7177.9-172.60113.6Y128 E129 L135 L136Y128-K132 HydrophobicContact CD2-CB 4.22Å; Y128-K132 HydrophobicContact CE1-CB 4.17Å; Y128-K132 HydrophobicContact CE2-CB 3.78Å; Y128-K132 WeakPolarHBondContact O-CB 3.44Å; Y128-K132 PolarHBondContact O-N 3.13Å; E129-K132 WeakPolarHBondContact OE2-CE 3.5Å; E129-K132 IonicContact OE2-NZ 2.67Å; E129-K132 PolarHBondContact OE2-NZ 2.73Å; K132-L135 PolarHBondContact O-N 2.86Å; K132-L136 WeakPolarHBondContact O-CG 3.48Å; K132-L136 PolarHBondContact O-N 2.96Å
133D93.6Very high93.9Very high63 Ų6354.5 Ų54.534%0.33727%0.271SS..Hα-helixtrans-71.8-33.3178.166.7-60.8000112.1V131 L136 R186V131-D133 PolarHBondContact O-N 3.4Å; V131-D133 VanDerWaalsContact O-N 3.14Å; D133-L136 PolarHBondContact O-N 2.87Å; D133-R186 VanDerWaalsContact CG-NH1 3.3Å; D133-R186 IonicContact OD1-CZ 3.86Å; D133-R186 IonicContact OD1-NH1 3.03Å; D133-R186 PolarHBondContact OD1-NH1 3.04Å; D133-R186 IonicContact OD1-NH2 3.9Å; D133-R186 IonicContact OD2-CZ 3.69Å; D133-R186 VanDerWaalsContact OD2-CZ 3.29Å; D133-R186 IonicContact OD2-NH1 3.85Å; D133-R186 PolarHBondContact OD2-NH1 2.85Å; D133-R186 IonicContact OD2-NH2 3.88Å; D133-R186 PolarHBondContact OD2-NH2 2.85Å
134L93.7Very high94.1Very high1 Ų154.2 Ų54.21%0.00527%0.269CS..Hα-helixtrans-67.4-39.9173.1-59.7179000111.5L99 V131 L136 K137 T140 I174 T176 E178 L183L99-L134 HydrophobicContact CD1-CD1 3.42Å; L99-L134 VanDerWaalsContact CD1-CD1 3.42Å; V131-L134 HydrophobicContact CB-CD1 4.46Å; V131-L134 WeakPolarHBondContact O-CA 3.41Å; V131-L134 VanDerWaalsContact O-CB 3.32Å; V131-L134 WeakPolarHBondContact O-CB 3.07Å; V131-L134 PolarHBondContact O-N 3.04Å; L134-L136 PolarHBondContact O-N 3.5Å; L134-K137 WeakPolarHBondContact O-CB 3.46Å; L134-K137 PolarHBondContact O-N 2.93Å; L134-T140 WeakPolarHBondContact O-CB 3.39Å; L134-T140 PolarHBondContact O-OG1 3.49Å; L134-I174 HydrophobicContact CD1-CD1 4.14Å; L134-T176 HydrophobicContact CD2-CG2 4.4Å; L134-E178 HydrophobicContact CD2-CG 4Å; L134-E178 WeakPolarHBondContact CD2-OE1 3.43Å; L134-L183 HydrophobicContact CD1-CD2 4.06Å; L134-L183 HydrophobicContact CD2-CD2 4.3Å
135L93.7Very high94.3Very high36 Ų3653.9 Ų53.919%0.18827%0.267CS..Hα-helixtrans-63.7-26.4178.9-65.9175.7000112.8Y97 Y128 V131 K132 K137 T142 I174Y97-L135 HydrophobicContact CE1-CD1 4.12Å; Y97-L135 HydrophobicContact CE1-CD2 4.05Å; Y97-L135 WeakPolarHBondContact OH-CD1 3.35Å; Y128-L135 HydrophobicContact CD2-CD1 3.89Å; Y128-L135 HydrophobicContact CE2-CD1 3.92Å; V131-L135 HydrophobicContact CG2-CD1 4.17Å; V131-L135 HydrophobicContact CG2-CG 4.4Å; V131-L135 PolarHBondContact O-N 2.83Å; K132-L135 PolarHBondContact O-N 2.86Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-T142 HydrophobicContact CD2-CG2 4.23Å; L135-T142 WeakPolarHBondContact CD2-OG1 3.46Å; L135-I174 HydrophobicContact CD2-CG2 3.83Å
136L92.2Very high94.4Very high153 Ų15347.9 Ų47.980%0.80124%0.244SC*.THydrogen-bonded Turntrans-78.7-11.8176.1-65.8172.1000113.2K132 D133 L134K132-L136 WeakPolarHBondContact O-CG 3.48Å; K132-L136 PolarHBondContact O-N 2.96Å; D133-L136 PolarHBondContact O-N 2.87Å; L134-L136 PolarHBondContact O-N 3.5Å
137K91.8Very high94.4Very high78 Ų7848.9 Ų48.934%0.33925%0.249SC..  trans-81.1133.8-178.2-64.9-173.7173.5-160.70111.3L134 L135 S139 T140 E178L134-K137 WeakPolarHBondContact O-CB 3.46Å; L134-K137 PolarHBondContact O-N 2.93Å; L135-K137 VanDerWaalsContact C-N 3.29Å; K137-S139 PolarHBondContact O-N 3.26Å; K137-T140 WeakPolarHBondContact O-CB 3.23Å; K137-T140 PolarHBondContact O-N 2.92Å; K137-T140 VanDerWaalsContact O-N 3.15Å; K137-E178 VanDerWaalsContact CE-OE1 3.25Å; K137-E178 WeakPolarHBondContact CE-OE1 3.39Å; K137-E178 IonicContact NZ-OE1 2.84Å; K137-E178 PolarHBondContact NZ-OE1 3.19Å
138P87.9Confident94.3Very high141 Ų14147.6 Ų47.692%0.91625%0.247SC*.THydrogen-bonded Turntrans-68.3-20.4-179.628.2-35.3000113.7T140P138-T140 VanDerWaalsContact C-N 3.34Å
139S89.1Confident94Very high46 Ų4649.1 Ų49.132%0.32226%0.256SS..THydrogen-bonded Turntrans-81.1-12.9176.953.30000113.4K137 D177K137-S139 PolarHBondContact O-N 3.26Å; S139-D177 VanDerWaalsContact CB-CG 3.42Å; S139-D177 WeakPolarHBondContact CB-OD1 3.43Å; S139-D177 VanDerWaalsContact CB-OD2 3.31Å; S139-D177 WeakPolarHBondContact CB-OD2 3.21Å; S139-D177 VanDerWaalsContact OG-CG 3.3Å; S139-D177 PolarHBondContact OG-OD1 2.8Å; S139-D177 PolarHBondContact OG-OD2 3.49Å
140T93.3Very high93.2Very high19 Ų1948.3 Ų48.312%0.11726%0.259CS..  trans-78.3125.3-177.8-61.80000111L134 K137 P138 I174 N175 T176L134-T140 WeakPolarHBondContact O-CB 3.39Å; L134-T140 PolarHBondContact O-OG1 3.49Å; K137-T140 WeakPolarHBondContact O-CB 3.23Å; K137-T140 PolarHBondContact O-N 2.92Å; K137-T140 VanDerWaalsContact O-N 3.15Å; P138-T140 VanDerWaalsContact C-N 3.34Å; T140-I174 HydrophobicContact CG2-CB 4.3Å; T140-N175 WeakPolarHBondContact CA-O 3.45Å; T140-T176 PolarHBondContact OG1-OG1 3.12Å
141V95.8Very high91.8Very high27 Ų2755.1 Ų55.116%0.16429%0.288CS..EExtended strand (participates in β ladder)trans-94.9115.6172.9174.90000108.3I143 I174 N175 L220 H223 M238V141-I143 HydrophobicContact CG1-CG2 4.16Å; V141-I174 CarbonylContact O-C 3.24Å; V141-I174 VanDerWaalsContact O-CA 3.3Å; V141-I174 WeakPolarHBondContact O-CA 3.48Å; V141-N175 HydrophobicContact CB-CB 4.44Å; V141-N175 PolarHBondContact N-O 2.82Å; V141-N175 PolarHBondContact O-N 2.88Å; V141-L220 HydrophobicContact CB-CD2 4.29Å; V141-L220 HydrophobicContact CG1-CD2 3.65Å; V141-H223 HydrophobicContact CG1-CB 4.1Å; V141-H223 VanDerWaalsContact CG1-CD2 3.42Å; V141-H223 WeakPolarHBondContact CG1-CD2 3.31Å; V141-M238 HydrophobicContact CG1-CE 3.84Å; V141-M238 HydrophobicContact CG1-SD 3.92Å; V141-M238 HydrophobicContact CG2-SD 4.35Å
142T97.1Very high89.4Confident26 Ų2661.7 Ų61.716%0.1632%0.323CS..EExtended strand (participates in β ladder)trans-110.1127.3176.9-55.70000110.2L135 F172 A173 I174 M238L135-T142 HydrophobicContact CD2-CG2 4.23Å; L135-T142 WeakPolarHBondContact CD2-OG1 3.46Å; T142-F172 HydrophobicContact CG2-CB 4.39Å; T142-F172 HydrophobicContact CG2-CD1 3.82Å; T142-F172 HydrophobicContact CG2-CG 4.41Å; T142-A173 WeakPolarHBondContact CA-O 3.31Å; T142-I174 HydrophobicContact CG2-CG2 3.98Å; T142-M238 WeakPolarHBondContact O-CE 3.03Å
143I97.9Very high86.8Confident0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-124.9137.7178.965.7169.8000110.9V141 L145 F172 A173 A216 V219 L220 M238 G241V141-I143 HydrophobicContact CG1-CG2 4.16Å; I143-L145 HydrophobicContact CD1-CD2 3.86Å; I143-L145 HydrophobicContact CG1-CD2 4.02Å; I143-F172 CarbonylContact O-C 3.49Å; I143-F172 WeakPolarHBondContact O-CA 3.45Å; I143-F172 WeakPolarHBondContact O-CB 3.28Å; I143-F172 WeakPolarHBondContact O-CD1 3.48Å; I143-A173 HydrophobicContact CD1-CB 3.99Å; I143-A173 HydrophobicContact CG1-CB 3.67Å; I143-A173 WeakPolarHBondContact CG1-O 3.18Å; I143-A173 PolarHBondContact N-O 2.84Å; I143-A173 PolarHBondContact O-N 2.71Å; I143-A216 HydrophobicContact CD1-CB 4.3Å; I143-A216 WeakPolarHBondContact CD1-O 3.32Å; I143-V219 HydrophobicContact CB-CG1 4.47Å; I143-V219 HydrophobicContact CD1-CB 3.84Å; I143-V219 HydrophobicContact CD1-CG1 4.04Å; I143-V219 HydrophobicContact CG2-CG1 3.98Å; I143-L220 HydrophobicContact CD1-CD2 4.05Å; I143-L220 HydrophobicContact CD1-CG 3.81Å; I143-L220 HydrophobicContact CG1-CD2 4.25Å; I143-L220 HydrophobicContact CG1-CG 4.47Å; I143-L220 HydrophobicContact CG2-CD2 4.12Å; I143-M238 HydrophobicContact CG2-CE 4.45Å; I143-G241 WeakPolarHBondContact CA-O 3.34Å
144F98.5Very high84.2Confident0 Ų065.9 Ų65.90%036%0.364CS..EExtended strand (participates in β ladder)trans-82123.8176171.5-123.7000110.5Q76 K79 R80 W85 L86 G146 I147 V170 F172 G241 Y243Q76-F144 HydrophobicContact CB-CE1 4.24Å; Q76-F144 HydrophobicContact CB-CZ 4.13Å; K79-F144 HydrophobicContact CB-CE1 4.22Å; R80-F144 HydrophobicContact CG-CD1 3.92Å; R80-F144 HydrophobicContact CG-CE1 4.45Å; W85-F144 HydrophobicContact CH2-CE2 4.12Å; W85-F144 HydrophobicContact CH2-CZ 4Å; W85-F144 HydrophobicContact CZ3-CE1 4.45Å; W85-F144 HydrophobicContact CZ3-CE2 4.13Å; W85-F144 HydrophobicContact CZ3-CZ 4.01Å; L86-F144 HydrophobicContact CD2-CB 3.92Å; L86-F144 HydrophobicContact CD2-CD1 4.16Å; L86-F144 HydrophobicContact CD2-CD2 4.21Å; L86-F144 HydrophobicContact CD2-CG 3.82Å; F144-G146 VanDerWaalsContact CE2-O 3.32Å; F144-G146 WeakPolarHBondContact CE2-O 3.14Å; F144-G146 VanDerWaalsContact CZ-CA 3.48Å; F144-I147 HydrophobicContact CZ-CG1 4.25Å; F144-V170 HydrophobicContact CD2-CG1 4.03Å; F144-V170 HydrophobicContact CE2-CG1 3.55Å; F144-F172 HydrophobicContact CB-CD1 4.05Å; F144-F172 HydrophobicContact CB-CE1 3.77Å; F144-F172 HydrophobicContact CD2-CD1 4.49Å; F144-F172 HydrophobicContact CD2-CE1 4.07Å; F144-F172 HydrophobicContact CD2-CE2 4.44Å; F144-F172 HydrophobicContact CD2-CZ 4.04Å; F144-F172 HydrophobicContact CG-CE1 4.33Å; F144-G241 PolarHBondContact N-O 2.95Å; F144-Y243 WeakPolarHBondContact O-CE2 3.39Å; F144-Y243 PolarHBondContact O-OH 3.06Å
145L98Very high81.6Confident0 Ų071.3 Ų71.30%040%0.403CS..EExtended strand (participates in β ladder)trans-92.9-41.6-176.7-58.3179.3000112L73 L98 I143 W171 A173 V212 Q215 A216L73-L145 HydrophobicContact CD1-CB 3.65Å; L98-L145 HydrophobicContact CD1-CD1 3.92Å; L98-L145 HydrophobicContact CG-CD1 4.48Å; I143-L145 HydrophobicContact CD1-CD2 3.86Å; I143-L145 HydrophobicContact CG1-CD2 4.02Å; L145-W171 HydrophobicContact CB-CB 4.05Å; L145-W171 WeakPolarHBondContact CB-O 3.21Å; L145-W171 HydrophobicContact CD1-CB 4.4Å; L145-W171 PolarHBondContact N-O 2.88Å; L145-A173 HydrophobicContact CD1-CB 3.96Å; L145-A173 HydrophobicContact CD2-CB 4.08Å; L145-A173 HydrophobicContact CG-CB 4.25Å; L145-V212 HydrophobicContact CD1-CG1 3.78Å; L145-Q215 HydrophobicContact CD2-CG 4.31Å; L145-Q215 PolarHBondContact O-NE2 3.25Å; L145-Q215 PolarHBondContact O-OE1 2.95Å; L145-A216 HydrophobicContact CD1-CB 4.28Å; L145-A216 HydrophobicContact CD2-CB 3.72Å
146G97.2Very high78.7Confident0 Ų075 Ų750%043%0.432CS..EExtended strand (participates in β ladder)trans152.6-167.6-176.800000112.1D74 F144 W171D74-G146 CarbonylContact O-C 3.6Å; D74-G146 WeakPolarHBondContact O-CA 3.5Å; F144-G146 VanDerWaalsContact CE2-O 3.32Å; F144-G146 WeakPolarHBondContact CE2-O 3.14Å; F144-G146 VanDerWaalsContact CZ-CA 3.48Å; G146-W171 PolarHBondContact O-N 2.75Å
147I96.1Very high75.8Confident28 Ų2872.9 Ų72.914%0.14443%0.429CS..EExtended strand (participates in β ladder)trans-115.7138176.1-54.2-175.3000107.8L73 D74 Q76 W85 F144 K149 P168 V170L73-I147 CarbonylContact C-O 3.52Å; L73-I147 WeakPolarHBondContact CA-O 3.48Å; D74-I147 PolarHBondContact N-O 2.94Å; D74-I147 PolarHBondContact O-N 3.19Å; Q76-I147 HydrophobicContact CB-CD1 4.42Å; Q76-I147 HydrophobicContact CB-CG1 4.39Å; Q76-I147 HydrophobicContact CG-CB 4.35Å; Q76-I147 HydrophobicContact CG-CD1 3.87Å; Q76-I147 HydrophobicContact CG-CG1 3.97Å; W85-I147 HydrophobicContact CH2-CD1 3.92Å; W85-I147 HydrophobicContact CH2-CG1 4.29Å; W85-I147 HydrophobicContact CZ2-CD1 3.88Å; F144-I147 HydrophobicContact CZ-CG1 4.25Å; I147-K149 PolarHBondContact O-N 3.04Å; I147-P168 HydrophobicContact CG2-CB 3.89Å; I147-P168 HydrophobicContact CG2-CG 3.56Å; I147-V170 HydrophobicContact CG1-CG2 4.33Å
148E93.3Very high73.3Confident70 Ų7074.7 Ų74.733%0.32745%0.452SS..EExtended strand (participates in β ladder)trans-60.1133179.7-169.3165.6-137.900111.2L73 T150 P168 P169L73-E148 HydrophobicContact CD2-CB 4.25Å; E148-T150 PolarHBondContact O-N 2.86Å; E148-P168 HydrophobicContact CB-CB 4.45Å; E148-P168 WeakPolarHBondContact O-CB 3.2Å; E148-P169 HydrophobicContact CB-CG 3.84Å; E148-P169 PolarHBondContact N-O 2.97Å; E148-P169 WeakPolarHBondContact OE2-CD 3.47Å; E148-P169 WeakPolarHBondContact OE2-CG 3.48Å
149K89.1Confident70.9Confident98 Ų9873 Ų7343%0.42644%0.444SS..PPolyproline II helixtrans-70.1125.1177-69.2176.7-178.4169.70109.1E71 T72 L73 D74 I147 K151E71-K149 WeakPolarHBondContact O-CE 3.11Å; E71-K149 PolarHBondContact O-NZ 2.97Å; E71-K149 IonicContact OE2-NZ 3.94Å; T72-K149 WeakPolarHBondContact O-CB 3.14Å; T72-K149 WeakPolarHBondContact O-CG 3.4Å; T72-K149 PolarHBondContact O-N 2.89Å; L73-K149 WeakPolarHBondContact O-CE 3.49Å; D74-K149 HydrophobicContact CB-CG 4.24Å; I147-K149 PolarHBondContact O-N 3.04Å; K149-K151 PolarHBondContact O-N 2.84Å
150T76.3Confident68.7Low102 Ų10280.4 Ų80.463%0.62647%0.473SS*.PPolyproline II helixtrans-62.8119.1169.647.80000108.9E148 N152 P168E148-T150 PolarHBondContact O-N 2.86Å; T150-N152 PolarHBondContact O-N 3.46Å; T150-N152 VanDerWaalsContact O-N 3.1Å; T150-P168 HydrophobicContact CG2-CB 4.24Å; T150-P168 HydrophobicContact CG2-CG 4.2Å
151K65Low66Low184 Ų18487.6 Ų87.680%0.850%0.503SS*.  trans-61.7115175.1-70.5-176178.3-1790108.5K149 P153K149-K151 PolarHBondContact O-N 2.84Å; K151-P153 WeakPolarHBondContact O-CD 3.26Å
152N43.6Very low63.3Low139 Ų13993.6 Ų93.674%0.74354%0.539SS*.  trans-62.9125.1168.5-84.7-16.5000108.3T150 S154T150-N152 PolarHBondContact O-N 3.46Å; T150-N152 VanDerWaalsContact O-N 3.1Å; N152-S154 PolarHBondContact O-N 2.75Å
153P40.1Very low60.8Low132 Ų132100 Ų10086%0.85757%0.568SS**  trans-76.790.5177.730-31.1000108.9K151K151-P153 WeakPolarHBondContact O-CD 3.26Å
154S38.8Very low58.1Low103 Ų103105.1 Ų105.172%0.7260%0.603SS**  trans-104.9117.2163.553.30000109.9N152N152-S154 PolarHBondContact O-N 2.75Å
155S38Very low56Low115 Ų115113.7 Ų113.780%0.80465%0.648SS**SBendtrans74.376.4170.473.10000119
156S33.2Very low54.6Low114 Ų114117.8 Ų117.880%0.79768%0.677SS**SBend171.7137.2109.845.50000112.8
157S32.7Very low53.7Low108 Ų108124 Ų12476%0.75571%0.706SS**  trans62.3108.6167.855.80000119.3S159S157-S159 PolarHBondContact O-N 3.1Å
158S39.5Very low53.4Low116 Ų116124.6 Ų124.681%0.81171%0.712SS**  trans-31.7120.3152.447.60000114.6
159S36.5Very low53.4Low106 Ų106122.7 Ų122.774%0.74171%0.705SS**  trans-157.6108.7149.3-68.50000107.3S157 K161S157-S159 PolarHBondContact O-N 3.1Å; S159-K161 PolarHBondContact O-N 3.5Å
160E42.2Very low53.7Low201 Ų201118.2 Ų118.294%0.93969%0.686SS**  trans-57.6101.8166.8-71.9175155.400108.5
161K37.2Very low54.8Low171 Ų171113.7 Ų113.774%0.74366%0.658SS**  trans-118.1117.7156.4-79-174.6178.6178.50106.8S159 E163S159-K161 PolarHBondContact O-N 3.5Å; K161-E163 PolarHBondContact O-N 3.45Å
162T38.3Very low56.4Low152 Ų152105 Ų10593%0.93362%0.62SS**  trans-62.879165.5-41.80000107.8S164T162-S164 PolarHBondContact O-N 3.15Å
163E44.9Very low59Low161 Ų16198.4 Ų98.475%0.75259%0.585SS**  trans-70.5123.4170-78-177.216500107.4K161 L165K161-E163 PolarHBondContact O-N 3.45Å; E163-L165 PolarHBondContact O-N 2.81Å; E163-L165 VanDerWaalsContact O-N 3.13Å
164S42Very low61.7Low107 Ų10792.1 Ų92.175%0.74854%0.544SS*.  trans-47.1122.616651.20000108.2T162 S166T162-S164 PolarHBondContact O-N 3.15Å; S164-S166 PolarHBondContact O-N 3.48Å
165L54.1Low64.3Low181 Ų18188.5 Ų88.595%0.94852%0.517SS*.  trans-63.972174.8-74.6152.1000109.4E163 E167E163-L165 PolarHBondContact O-N 2.81Å; E163-L165 VanDerWaalsContact O-N 3.13Å; L165-E167 PolarHBondContact O-N 3.39Å
166S67.8Low66.7Low86 Ų8683.3 Ų83.360%0.60148%0.48SS*.PPolyproline II helixtrans-65.2125.6167.8179.90000106.6S164S164-S166 PolarHBondContact O-N 3.48Å
167E79Confident69.3Low129 Ų12983.6 Ų83.660%0.60347%0.473SS*.PPolyproline II helixtrans-56.2139.2171.3-68.7-175.3165.600109K89 L165K89-E167 IonicContact NZ-OE2 3.55Å; K89-E167 PolarHBondContact NZ-OE2 3.34Å; L165-E167 PolarHBondContact O-N 3.39Å
168P89.6Confident71.8Confident42 Ų4279.9 Ų79.927%0.27344%0.443SS..PPolyproline II helixtrans-59.9145.1175.521.7-30.4000110.6I147 E148 T150I147-P168 HydrophobicContact CG2-CB 3.89Å; I147-P168 HydrophobicContact CG2-CG 3.56Å; E148-P168 HydrophobicContact CB-CB 4.45Å; E148-P168 WeakPolarHBondContact O-CB 3.2Å; T150-P168 HydrophobicContact CG2-CB 4.24Å; T150-P168 HydrophobicContact CG2-CG 4.2Å
169P92.7Very high74.1Confident29 Ų2979.5 Ų79.519%0.18843%0.432CS..PPolyproline II helixtrans-64.7143.9-17425.6-34.7000111.8E94 V96 E148E94-P169 VanDerWaalsContact O-CB 3.27Å; E94-P169 WeakPolarHBondContact O-CB 3.37Å; V96-P169 HydrophobicContact CG2-CB 4.15Å; E148-P169 HydrophobicContact CB-CG 3.84Å; E148-P169 PolarHBondContact N-O 2.97Å; E148-P169 WeakPolarHBondContact OE2-CD 3.47Å; E148-P169 WeakPolarHBondContact OE2-CG 3.48Å
170V96.9Very high76.4Confident4 Ų476.1 Ų76.12%0.02441%0.411CS..EExtended strand (participates in β ladder)trans-91.8138.1177-174.60000108.8W85 K89 T95 V96 F144 I147 F172W85-V170 HydrophobicContact CH2-CG1 3.98Å; W85-V170 HydrophobicContact CH2-CG2 4.2Å; W85-V170 HydrophobicContact CZ2-CG2 4.22Å; K89-V170 HydrophobicContact CB-CB 4.49Å; K89-V170 HydrophobicContact CB-CG1 4.24Å; K89-V170 HydrophobicContact CB-CG2 4.39Å; K89-V170 HydrophobicContact CD-CG2 3.81Å; K89-V170 HydrophobicContact CG-CG2 4.05Å; T95-V170 WeakPolarHBondContact CA-O 3.41Å; T95-V170 WeakPolarHBondContact CG2-O 3.34Å; V96-V170 PolarHBondContact N-O 3.45Å; F144-V170 HydrophobicContact CD2-CG1 4.03Å; F144-V170 HydrophobicContact CE2-CG1 3.55Å; I147-V170 HydrophobicContact CG1-CG2 4.33Å; V170-F172 HydrophobicContact CG1-CD2 4.29Å; V170-F172 HydrophobicContact CG1-CE2 3.61Å; V170-F172 HydrophobicContact CG1-CZ 4.24Å
171W98.3Very high78.5Confident7 Ų769.2 Ų69.23%0.02739%0.388CS..EExtended strand (participates in β ladder)trans-115135.2-174.9-73.759.2000111.9L73 V96 L98 L145 G146 V212L73-W171 HydrophobicContact CD1-CB 3.76Å; L73-W171 HydrophobicContact CD1-CD2 4.25Å; L73-W171 HydrophobicContact CD1-CE3 4.42Å; L73-W171 HydrophobicContact CD1-CG 3.98Å; L73-W171 HydrophobicContact CD2-CB 4.28Å; L73-W171 HydrophobicContact CD2-CD2 3.9Å; L73-W171 HydrophobicContact CD2-CG 3.71Å; V96-W171 HydrophobicContact CB-CD2 3.83Å; V96-W171 HydrophobicContact CB-CE3 4.36Å; V96-W171 HydrophobicContact CB-CG 3.99Å; V96-W171 HydrophobicContact CB-CZ2 4.48Å; V96-W171 HydrophobicContact CG1-CD2 3.72Å; V96-W171 HydrophobicContact CG1-CE3 3.76Å; V96-W171 HydrophobicContact CG1-CG 4.37Å; V96-W171 HydrophobicContact CG1-CH2 4.13Å; V96-W171 HydrophobicContact CG1-CZ2 4.07Å; V96-W171 HydrophobicContact CG1-CZ3 3.97Å; V96-W171 HydrophobicContact CG2-CD2 4.47Å; V96-W171 HydrophobicContact CG2-CZ2 4.42Å; V96-W171 CarbonylContact O-C 3.58Å; V96-W171 WeakPolarHBondContact O-CA 3.27Å; L98-W171 HydrophobicContact CD1-CE3 4.18Å; L98-W171 HydrophobicContact CD1-CZ3 4.17Å; L98-W171 HydrophobicContact CD2-CE3 4.37Å; L98-W171 HydrophobicContact CD2-CZ3 3.99Å; L98-W171 HydrophobicContact CG-CE3 4.18Å; L98-W171 HydrophobicContact CG-CZ3 4.24Å; L145-W171 HydrophobicContact CB-CB 4.05Å; L145-W171 WeakPolarHBondContact CB-O 3.21Å; L145-W171 HydrophobicContact CD1-CB 4.4Å; L145-W171 PolarHBondContact N-O 2.88Å; G146-W171 PolarHBondContact O-N 2.75Å; W171-V212 HydrophobicContact CE3-CG1 4.24Å; W171-V212 HydrophobicContact CZ3-CG1 4.4Å
172F98.4Very high80.9Confident2 Ų262.9 Ų62.91%0.00937%0.367CS..EExtended strand (participates in β ladder)trans-126.9153.6171.6-68-96.1000110.7L86 K89 Q90 T95 V96 Y97 L98 T142 I143 F144 V170L86-F172 HydrophobicContact CD2-CE1 4.05Å; L86-F172 HydrophobicContact CD2-CZ 4.02Å; K89-F172 HydrophobicContact CB-CE2 4.44Å; Q90-F172 HydrophobicContact CG-CD1 4.43Å; Q90-F172 HydrophobicContact CG-CE1 3.93Å; Q90-F172 HydrophobicContact CG-CE2 4.19Å; Q90-F172 HydrophobicContact CG-CZ 3.79Å; T95-F172 HydrophobicContact CG2-CD2 3.51Å; T95-F172 HydrophobicContact CG2-CE2 3.84Å; V96-F172 PolarHBondContact O-N 2.85Å; Y97-F172 WeakPolarHBondContact CA-O 3.37Å; Y97-F172 HydrophobicContact CD1-CB 3.71Å; Y97-F172 HydrophobicContact CE1-CB 3.66Å; Y97-F172 HydrophobicContact CE1-CD2 4.23Å; Y97-F172 HydrophobicContact CE1-CG 4.08Å; L98-F172 PolarHBondContact N-O 2.88Å; T142-F172 HydrophobicContact CG2-CB 4.39Å; T142-F172 HydrophobicContact CG2-CD1 3.82Å; T142-F172 HydrophobicContact CG2-CG 4.41Å; I143-F172 CarbonylContact O-C 3.49Å; I143-F172 WeakPolarHBondContact O-CA 3.45Å; I143-F172 WeakPolarHBondContact O-CB 3.28Å; I143-F172 WeakPolarHBondContact O-CD1 3.48Å; F144-F172 HydrophobicContact CB-CD1 4.05Å; F144-F172 HydrophobicContact CB-CE1 3.77Å; F144-F172 HydrophobicContact CD2-CD1 4.49Å; F144-F172 HydrophobicContact CD2-CE1 4.07Å; F144-F172 HydrophobicContact CD2-CE2 4.44Å; F144-F172 HydrophobicContact CD2-CZ 4.04Å; F144-F172 HydrophobicContact CG-CE1 4.33Å; V170-F172 HydrophobicContact CG1-CD2 4.29Å; V170-F172 HydrophobicContact CG1-CE2 3.61Å; V170-F172 HydrophobicContact CG1-CZ 4.24Å
173A98.2Very high83.3Confident0 Ų055.6 Ų55.60%032%0.323CS..EExtended strand (participates in β ladder)trans-112.8141.3161.900000110L98 F100 T142 I143 L145 A216 L220L98-A173 HydrophobicContact CB-CB 4.32Å; L98-A173 CarbonylContact O-C 3.59Å; L98-A173 VanDerWaalsContact O-CA 3.31Å; L98-A173 WeakPolarHBondContact O-CA 3.44Å; F100-A173 HydrophobicContact CD2-CB 4.06Å; F100-A173 HydrophobicContact CE2-CB 3.85Å; T142-A173 WeakPolarHBondContact CA-O 3.31Å; I143-A173 HydrophobicContact CD1-CB 3.99Å; I143-A173 HydrophobicContact CG1-CB 3.67Å; I143-A173 WeakPolarHBondContact CG1-O 3.18Å; I143-A173 PolarHBondContact N-O 2.84Å; I143-A173 PolarHBondContact O-N 2.71Å; L145-A173 HydrophobicContact CD1-CB 3.96Å; L145-A173 HydrophobicContact CD2-CB 4.08Å; L145-A173 HydrophobicContact CG-CB 4.25Å; A173-A216 HydrophobicContact CB-CB 3.72Å; A173-L220 HydrophobicContact CB-CD1 4.31Å
174I96.6Very high85.3Confident1 Ų150.6 Ų50.61%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-123133.7179.354.8174.1000109.3Y97 L98 L99 F100 V131 L134 L135 T140 V141 T142Y97-I174 HydrophobicContact CD1-CG2 3.86Å; Y97-I174 HydrophobicContact CE1-CG2 4.23Å; L98-I174 WeakPolarHBondContact O-CG1 3.07Å; L98-I174 PolarHBondContact O-N 3.48Å; L99-I174 HydrophobicContact CB-CD1 4.49Å; L99-I174 HydrophobicContact CB-CG1 4.31Å; L99-I174 HydrophobicContact CD1-CD1 3.5Å; L99-I174 VanDerWaalsContact CD1-CD1 3.5Å; L99-I174 HydrophobicContact CD1-CG1 3.84Å; L99-I174 HydrophobicContact CG-CG1 4.49Å; F100-I174 PolarHBondContact N-O 3.08Å; V131-I174 HydrophobicContact CB-CD1 3.78Å; V131-I174 HydrophobicContact CG1-CD1 3.67Å; V131-I174 HydrophobicContact CG2-CD1 4.36Å; L134-I174 HydrophobicContact CD1-CD1 4.14Å; L135-I174 HydrophobicContact CD2-CG2 3.83Å; T140-I174 HydrophobicContact CG2-CB 4.3Å; V141-I174 CarbonylContact O-C 3.24Å; V141-I174 VanDerWaalsContact O-CA 3.3Å; V141-I174 WeakPolarHBondContact O-CA 3.48Å; T142-I174 HydrophobicContact CG2-CG2 3.98Å
175N94.6Very high87.4Confident27 Ų2753.6 Ų53.614%0.14430%0.303CS..EExtended strand (participates in β ladder)trans-125.6128.6171.6-177.484000108.8F100 T140 V141 L220F100-N175 HydrophobicContact CB-CB 4.15Å; F100-N175 PolarHBondContact O-OD1 2.94Å; T140-N175 WeakPolarHBondContact CA-O 3.45Å; V141-N175 HydrophobicContact CB-CB 4.44Å; V141-N175 PolarHBondContact N-O 2.82Å; V141-N175 PolarHBondContact O-N 2.88Å; N175-L220 HydrophobicContact CB-CD1 3.98Å; N175-L220 HydrophobicContact CB-CD2 3.66Å; N175-L220 HydrophobicContact CB-CG 4.3Å
176T88.8Confident88.8Confident5 Ų548 Ų483%0.03127%0.269CS..  trans-128.9162.6-176.4-177.10000110.4L134 T140 E178 L183L134-T176 HydrophobicContact CD2-CG2 4.4Å; T140-T176 PolarHBondContact OG1-OG1 3.12Å; T176-E178 VanDerWaalsContact C-N 3.31Å; T176-E178 HydrophobicContact CG2-CB 3.9Å; T176-E178 HydrophobicContact CG2-CG 4.3Å; T176-E178 PolarHBondContact OG1-N 2.9Å; T176-L183 HydrophobicContact CG2-CD1 3.87Å; T176-L183 HydrophobicContact CG2-CD2 3.96Å; T176-L183 HydrophobicContact CG2-CG 4.47Å
177D86.6Confident89.4Confident121 Ų12144.6 Ų44.665%0.64725%0.246SC*.  trans-89.14.3173.963.2-17.8000113S139S139-D177 VanDerWaalsContact CB-CG 3.42Å; S139-D177 WeakPolarHBondContact CB-OD1 3.43Å; S139-D177 VanDerWaalsContact CB-OD2 3.31Å; S139-D177 WeakPolarHBondContact CB-OD2 3.21Å; S139-D177 VanDerWaalsContact OG-CG 3.3Å; S139-D177 PolarHBondContact OG-OD1 2.8Å; S139-D177 PolarHBondContact OG-OD2 3.49Å
178E86.5Confident89.1Confident29 Ų2948.4 Ų48.414%0.13625%0.254CS..SBendtrans-57.6148.7172-76.2-156.6-178.700112.6L134 K137 T176 A180 L183 R186L134-E178 HydrophobicContact CD2-CG 4Å; L134-E178 WeakPolarHBondContact CD2-OE1 3.43Å; K137-E178 VanDerWaalsContact CE-OE1 3.25Å; K137-E178 WeakPolarHBondContact CE-OE1 3.39Å; K137-E178 IonicContact NZ-OE1 2.84Å; K137-E178 PolarHBondContact NZ-OE1 3.19Å; T176-E178 VanDerWaalsContact C-N 3.31Å; T176-E178 HydrophobicContact CG2-CB 3.9Å; T176-E178 HydrophobicContact CG2-CG 4.3Å; T176-E178 PolarHBondContact OG1-N 2.9Å; E178-A180 PolarHBondContact O-N 3.31Å; E178-L183 HydrophobicContact CB-CD1 4.29Å; E178-L183 HydrophobicContact CB-CD2 3.91Å; E178-L183 HydrophobicContact CB-CG 3.97Å; E178-L183 WeakPolarHBondContact OE2-CD2 3.07Å; E178-R186 IonicContact OE1-NH2 3.89Å; E178-R186 PolarHBondContact OE1-NH2 3.32Å; E178-R186 IonicContact OE2-CZ 3.06Å; E178-R186 IonicContact OE2-NE 2.8Å; E178-R186 IonicContact OE2-NH2 3.75Å; E178-R186 PolarHBondContact OE2-NH2 3.34Å
179D86.7Confident88.4Confident109 Ų10950.8 Ų50.858%0.58326%0.262SS*.  trans-59.3134.3174.8-177.4-95.3000111.2A181 A182 L183D179-A181 PolarHBondContact O-N 3Å; D179-A181 WeakPolarHBondContact OD1-CA 3.37Å; D179-A181 WeakPolarHBondContact OD1-CB 3.19Å; D179-A181 PolarHBondContact OD1-N 3.48Å; D179-A182 HydrophobicContact CB-CB 4.34Å; D179-A182 WeakPolarHBondContact O-CB 3.43Å; D179-A182 PolarHBondContact O-N 2.97Å; D179-A182 VanDerWaalsContact O-N 3.14Å; D179-A182 PolarHBondContact OD1-N 2.99Å; D179-L183 PolarHBondContact O-N 2.89Å
180A85.9Confident87.1Confident35 Ų3559.3 Ų59.329%0.28930%0.296SS..Hα-helixtrans-61.7-31.6-176.400000112.6E178 L183 L184 F194E178-A180 PolarHBondContact O-N 3.31Å; A180-L183 PolarHBondContact O-N 3.13Å; A180-L184 VanDerWaalsContact O-CG 3.22Å; A180-L184 WeakPolarHBondContact O-CG 3.47Å; A180-L184 PolarHBondContact O-N 3.06Å; A180-F194 HydrophobicContact CB-CD2 4.06Å; A180-F194 HydrophobicContact CB-CE2 4.1Å
181A85.9Confident86.4Confident55 Ų5562.4 Ų62.446%0.45531%0.312SS..Hα-helixtrans-69.2-41.8176.800000111.2D179 L183 L184 E185D179-A181 PolarHBondContact O-N 3Å; D179-A181 WeakPolarHBondContact OD1-CA 3.37Å; D179-A181 WeakPolarHBondContact OD1-CB 3.19Å; D179-A181 PolarHBondContact OD1-N 3.48Å; A181-L183 VanDerWaalsContact C-N 3.3Å; A181-L183 PolarHBondContact O-N 3.27Å; A181-L184 WeakPolarHBondContact O-CB 3.49Å; A181-L184 PolarHBondContact O-N 3.36Å; A181-L184 VanDerWaalsContact O-N 3.13Å; A181-E185 PolarHBondContact O-N 2.7Å
182A87.6Confident86Confident38 Ų3863 Ų6331%0.31432%0.318SS..Hα-helixtrans-61.5-39.1174.400000111.9D179 L184 E185D179-A182 HydrophobicContact CB-CB 4.34Å; D179-A182 WeakPolarHBondContact O-CB 3.43Å; D179-A182 PolarHBondContact O-N 2.97Å; D179-A182 VanDerWaalsContact O-N 3.14Å; D179-A182 PolarHBondContact OD1-N 2.99Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.19Å; A182-E185 PolarHBondContact O-N 3.19Å
183L87.7Confident85.7Confident0 Ų065.1 Ų65.10%033%0.332CS..Hα-helixtrans-64.2-36.9174.4-69.9178.8000112.6L99 M106 L134 T176 E178 D179 A180 A181 R186 F194L99-L183 HydrophobicContact CD1-CD2 4.08Å; L99-L183 HydrophobicContact CD2-CB 3.91Å; L99-L183 HydrophobicContact CD2-CD1 4.04Å; L99-L183 HydrophobicContact CD2-CD2 3.98Å; L99-L183 HydrophobicContact CD2-CG 4.18Å; M106-L183 HydrophobicContact CE-CB 4.09Å; M106-L183 WeakPolarHBondContact CE-O 3.4Å; L134-L183 HydrophobicContact CD1-CD2 4.06Å; L134-L183 HydrophobicContact CD2-CD2 4.3Å; T176-L183 HydrophobicContact CG2-CD1 3.87Å; T176-L183 HydrophobicContact CG2-CD2 3.96Å; T176-L183 HydrophobicContact CG2-CG 4.47Å; E178-L183 HydrophobicContact CB-CD1 4.29Å; E178-L183 HydrophobicContact CB-CD2 3.91Å; E178-L183 HydrophobicContact CB-CG 3.97Å; E178-L183 WeakPolarHBondContact OE2-CD2 3.07Å; D179-L183 PolarHBondContact O-N 2.89Å; A180-L183 PolarHBondContact O-N 3.13Å; A181-L183 VanDerWaalsContact C-N 3.3Å; A181-L183 PolarHBondContact O-N 3.27Å; L183-R186 WeakPolarHBondContact O-CB 3.27Å; L183-R186 PolarHBondContact O-N 2.83Å; L183-F194 HydrophobicContact CB-CE2 4.11Å; L183-F194 HydrophobicContact CB-CZ 4.11Å; L183-F194 HydrophobicContact CD1-CZ 4.09Å
184L87.3Confident85.3Confident56 Ų5666.6 Ų66.629%0.29334%0.339SS..Hα-helixtrans-67.9-33.1178.7-71.4168.7000112.8M106 A180 A181 A182 R186 C187 C192 F194M106-L184 HydrophobicContact CE-CD2 4Å; M106-L184 HydrophobicContact CG-CD2 4.43Å; M106-L184 HydrophobicContact SD-CD2 4.37Å; A180-L184 VanDerWaalsContact O-CG 3.22Å; A180-L184 WeakPolarHBondContact O-CG 3.47Å; A180-L184 PolarHBondContact O-N 3.06Å; A181-L184 WeakPolarHBondContact O-CB 3.49Å; A181-L184 PolarHBondContact O-N 3.36Å; A181-L184 VanDerWaalsContact O-N 3.13Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.19Å; L184-R186 PolarHBondContact O-N 2.68Å; L184-C187 VanDerWaalsContact O-CB 3.31Å; L184-C187 WeakPolarHBondContact O-CB 3.28Å; L184-C187 PolarHBondContact O-N 3Å; L184-C192 HydrophobicContact CD2-CB 4.04Å; L184-C192 WeakPolarHBondContact CD2-O 3.19Å; L184-F194 HydrophobicContact CD1-CD2 4.47Å; L184-F194 HydrophobicContact CD2-CD2 4.11Å; L184-F194 HydrophobicContact CD2-CE2 4.08Å; L184-F194 HydrophobicContact CG-CD2 4.2Å; L184-F194 HydrophobicContact CG-CE2 4.04Å
185E85.8Confident85Confident169 Ų16967 Ų6779%0.7934%0.341SS*.Hα-helixtrans-61-23.7175.1-68.7-179.6175.900112.9A181 A182 C187A181-E185 PolarHBondContact O-N 2.7Å; A182-E185 PolarHBondContact O-N 3.19Å; E185-C187 VanDerWaalsContact C-N 3.27Å; E185-C187 PolarHBondContact O-N 3.4Å
186R84.9Confident84.5Confident63 Ų6376.8 Ų76.824%0.23838%0.376CS..THydrogen-bonded Turntrans-72.6-22.8175.4-57.9174.3177.7-93.4-0.4112.6D133 E178 L183 L184 R188D133-R186 VanDerWaalsContact CG-NH1 3.3Å; D133-R186 IonicContact OD1-CZ 3.86Å; D133-R186 IonicContact OD1-NH1 3.03Å; D133-R186 PolarHBondContact OD1-NH1 3.04Å; D133-R186 IonicContact OD1-NH2 3.9Å; D133-R186 IonicContact OD2-CZ 3.69Å; D133-R186 VanDerWaalsContact OD2-CZ 3.29Å; D133-R186 IonicContact OD2-NH1 3.85Å; D133-R186 PolarHBondContact OD2-NH1 2.85Å; D133-R186 IonicContact OD2-NH2 3.88Å; D133-R186 PolarHBondContact OD2-NH2 2.85Å; E178-R186 IonicContact OE1-NH2 3.89Å; E178-R186 PolarHBondContact OE1-NH2 3.32Å; E178-R186 IonicContact OE2-CZ 3.06Å; E178-R186 IonicContact OE2-NE 2.8Å; E178-R186 IonicContact OE2-NH2 3.75Å; E178-R186 PolarHBondContact OE2-NH2 3.34Å; L183-R186 WeakPolarHBondContact O-CB 3.27Å; L183-R186 PolarHBondContact O-N 2.83Å; L184-R186 PolarHBondContact O-N 2.68Å; R186-R188 PolarHBondContact O-N 3.1Å
187C80.6Confident84.2Confident16 Ų1679.1 Ų79.111%0.10839%0.393CS..  trans-74.4118.3178.9-147.40000109.3M106 C124 L184 E185 E189 C192M106-C187 HydrophobicContact SD-CB 3.96Å; C124-C187 VanDerWaalsContact SG-SG 3.64Å; L184-C187 VanDerWaalsContact O-CB 3.31Å; L184-C187 WeakPolarHBondContact O-CB 3.28Å; L184-C187 PolarHBondContact O-N 3Å; E185-C187 VanDerWaalsContact C-N 3.27Å; E185-C187 PolarHBondContact O-N 3.4Å; C187-E189 PolarHBondContact O-N 2.78Å; C187-C192 HydrophobicContact CB-CB 3.44Å; C187-C192 VanDerWaalsContact CB-CB 3.44Å; C187-C192 WeakPolarHBondContact CB-SG 3.34Å; C187-C192 WeakPolarHBondContact SG-CB 3.44Å; C187-C192 CovalentContact SG-SG 2.02Å; C187-C192 PolarHBondContact SG-SG 3.35Å
188R72.6Confident83.8Confident208 Ų20874.8 Ų74.879%0.78537%0.371SS*.SBendtrans-67.6-19.2177.3-57.4-176.8-163.8-155.1-2.1112.6E130 R186E130-R188 IonicContact OE1-CZ 3.43Å; E130-R188 IonicContact OE1-NE 2.75Å; E130-R188 PolarHBondContact OE1-NE 2.83Å; E130-R188 IonicContact OE1-NH2 2.69Å; E130-R188 PolarHBondContact OE1-NH2 3.05Å; E130-R188 VanDerWaalsContact OE1-NH2 3.12Å; R186-R188 PolarHBondContact O-N 3.1Å
189E75.1Confident83.4Confident93 Ų9378.2 Ų78.244%0.43539%0.39SS..SBendtrans-89.3138.2-177.8-58.1-169.7-154.700111.4R108 C187 N191 C192R108-E189 WeakPolarHBondContact CD-OE2 3.45Å; R108-E189 IonicContact CZ-OE1 2.85Å; R108-E189 IonicContact CZ-OE2 3.3Å; R108-E189 IonicContact NE-OE1 3.64Å; R108-E189 IonicContact NE-OE2 2.85Å; R108-E189 IonicContact NH1-OE1 3.49Å; R108-E189 PolarHBondContact NH1-OE1 2.86Å; R108-E189 IonicContact NH1-OE2 2.87Å; R108-E189 PolarHBondContact NH1-OE2 3.47Å; C187-E189 PolarHBondContact O-N 2.78Å; E189-N191 PolarHBondContact O-N 3.45Å; E189-N191 VanDerWaalsContact O-N 3.11Å; E189-C192 PolarHBondContact O-SG 3Å
190K64.6Low83.2Confident208 Ų20880.5 Ų80.590%0.90439%0.391SS*.THydrogen-bonded Turntrans-72.6-4.8-170.7-65.7-174176.8-178.30115.2
191N82.6Confident83.2Confident68 Ų6879.6 Ų79.636%0.36438%0.381SS..THydrogen-bonded Turntrans-125.527.3-171.7-64.9-10.8000113.4R108 T109 E189R108-N191 WeakPolarHBondContact CA-O 3.32Å; T109-N191 PolarHBondContact N-O 2.82Å; T109-N191 PolarHBondContact O-ND2 2.78Å; E189-N191 PolarHBondContact O-N 3.45Å; E189-N191 VanDerWaalsContact O-N 3.11Å
192C89.7Confident83.4Confident21 Ų2177 Ų7714%0.14236%0.36CS..EExtended strand (participates in β ladder)trans-76.7143.5176.3-52.20000110.8M106 V107 C124 L184 C187 E189M106-C192 HydrophobicContact CG-CB 4.31Å; M106-C192 HydrophobicContact SD-CB 4.07Å; V107-C192 CarbonylContact O-C 3.49Å; V107-C192 VanDerWaalsContact O-CA 3.26Å; V107-C192 WeakPolarHBondContact O-CA 3.38Å; C124-C192 VanDerWaalsContact SG-SG 3.64Å; L184-C192 HydrophobicContact CD2-CB 4.04Å; L184-C192 WeakPolarHBondContact CD2-O 3.19Å; C187-C192 HydrophobicContact CB-CB 3.44Å; C187-C192 VanDerWaalsContact CB-CB 3.44Å; C187-C192 WeakPolarHBondContact CB-SG 3.34Å; C187-C192 WeakPolarHBondContact SG-CB 3.44Å; C187-C192 CovalentContact SG-SG 2.02Å; C187-C192 PolarHBondContact SG-SG 3.35Å; E189-C192 PolarHBondContact O-SG 3Å
193S91.7Very high83.6Confident45 Ų4575.8 Ų75.832%0.31535%0.348SS..EExtended strand (participates in β ladder)trans-155.6167178.263.70000110.7V107V107-S193 WeakPolarHBondContact CG2-O 3.22Å; V107-S193 PolarHBondContact N-O 3.38Å; V107-S193 PolarHBondContact O-N 3.02Å; V107-S193 VanDerWaalsContact O-O 3.12Å
194F90.9Very high83.7Confident31 Ų3180 Ų8014%0.13637%0.366CS..  trans-105.7130.5167.1-69-79.1000109.1L99 S104 M106 A180 L183 L184 R196L99-F194 HydrophobicContact CD2-CZ 3.95Å; S104-F194 VanDerWaalsContact O-CD1 3.27Å; S104-F194 WeakPolarHBondContact O-CD1 3.21Å; M106-F194 HydrophobicContact CB-CD1 4.19Å; M106-F194 HydrophobicContact CB-CE1 3.64Å; M106-F194 HydrophobicContact CB-CZ 4.02Å; M106-F194 HydrophobicContact CE-CE1 4.36Å; M106-F194 HydrophobicContact CE-CE2 3.81Å; M106-F194 HydrophobicContact CE-CZ 3.54Å; M106-F194 HydrophobicContact CG-CE1 4.29Å; M106-F194 HydrophobicContact CG-CZ 4.3Å; A180-F194 HydrophobicContact CB-CD2 4.06Å; A180-F194 HydrophobicContact CB-CE2 4.1Å; L183-F194 HydrophobicContact CB-CE2 4.11Å; L183-F194 HydrophobicContact CB-CZ 4.11Å; L183-F194 HydrophobicContact CD1-CZ 4.09Å; L184-F194 HydrophobicContact CD1-CD2 4.47Å; L184-F194 HydrophobicContact CD2-CD2 4.11Å; L184-F194 HydrophobicContact CD2-CE2 4.08Å; L184-F194 HydrophobicContact CG-CD2 4.2Å; L184-F194 HydrophobicContact CG-CE2 4.04Å; F194-R196 PolarHBondContact O-N 2.92Å
195P89.1Confident83.9Confident9 Ų977.4 Ų77.46%0.05835%0.352CS..  trans-54.7131.2176.2-28.636.5000112.3S104 P105 V107 M121 D201 L202S104-P195 PolarHBondContact OG-O 3.47Å; P105-P195 WeakPolarHBondContact O-CD 3.5Å; V107-P195 HydrophobicContact CG1-CG 4.14Å; V107-P195 HydrophobicContact CG2-CG 3.95Å; M121-P195 HydrophobicContact SD-CG 4.35Å; P195-D201 HydrophobicContact CB-CB 3.76Å; P195-L202 HydrophobicContact CG-CD2 4.36Å
196R83.4Confident84.2Confident234 Ų23471.4 Ų71.488%0.88333%0.33SS*.SBendtrans-85.2-33.2-178.5-66.5-176.6-177.7170.31.2112.1F194 P198 D201F194-R196 PolarHBondContact O-N 2.92Å; R196-P198 WeakPolarHBondContact O-CD 3.47Å; R196-D201 PolarHBondContact N-OD2 3.48Å
197S84Confident84.4Confident53 Ų5372.3 Ų72.337%0.37134%0.336SS..  trans-122.383.2-179.6-64.30000109.5N199 R200 D201S197-N199 PolarHBondContact O-N 3.26Å; S197-N199 VanDerWaalsContact O-N 3.08Å; S197-R200 PolarHBondContact O-N 2.74Å; S197-D201 PolarHBondContact N-OD2 3.04Å; S197-D201 WeakPolarHBondContact O-CB 3.45Å; S197-D201 PolarHBondContact O-N 2.92Å
198P77.3Confident84.8Confident31 Ų3175 Ų7520%0.20135%0.347CS..Hα-helixtrans-52-38.6-173.4-2934.8000114.2R196 R200 L202 M337R196-P198 WeakPolarHBondContact O-CD 3.47Å; P198-R200 PolarHBondContact O-N 2.84Å; P198-L202 HydrophobicContact CB-CD1 4.13Å; P198-L202 HydrophobicContact CB-CG 4.45Å; P198-L202 VanDerWaalsContact O-CB 3.25Å; P198-L202 WeakPolarHBondContact O-CB 3.5Å; P198-L202 VanDerWaalsContact O-CG 3.29Å; P198-L202 WeakPolarHBondContact O-CG 3.33Å; P198-L202 PolarHBondContact O-N 3.4Å; P198-M337 HydrophobicContact CB-CE 4.32Å; P198-M337 HydrophobicContact CB-SD 4.31Å; P198-M337 WeakPolarHBondContact O-CE 3.35Å
199N77.5Confident85.8Confident100 Ų10065.8 Ų65.854%0.53531%0.313SS..Hα-helixtrans-56.9-31.3178.9-71.5-16.6000114.2S197 M337S197-N199 PolarHBondContact O-N 3.26Å; S197-N199 VanDerWaalsContact O-N 3.08Å; N199-M337 WeakPolarHBondContact OD1-CG 3.41Å; N199-M337 PolarHBondContact OD1-SD 2.72Å
200R82.4Confident86.7Confident157 Ų15761.4 Ų61.459%0.59229%0.293SS*.Hα-helixtrans-105.6-46.9-176.3-177.2-173.265-163.6-2.3111.2S197 P198 L202 L203S197-R200 PolarHBondContact O-N 2.74Å; P198-R200 PolarHBondContact O-N 2.84Å; R200-L202 PolarHBondContact O-N 3.3Å; R200-L203 WeakPolarHBondContact O-CB 3.5Å; R200-L203 PolarHBondContact O-N 3.24Å
201D86.5Confident88.1Confident17 Ų1751.9 Ų51.99%0.09125%0.254CS..Hα-helixtrans-72.7-31.8-168.8-60.7-15.6000111.1M121 P195 R196 S197 L203 K204M121-D201 HydrophobicContact CE-CB 4.42Å; P195-D201 HydrophobicContact CB-CB 3.76Å; R196-D201 PolarHBondContact N-OD2 3.48Å; S197-D201 PolarHBondContact N-OD2 3.04Å; S197-D201 WeakPolarHBondContact O-CB 3.45Å; S197-D201 PolarHBondContact O-N 2.92Å; D201-L203 PolarHBondContact O-N 3.29Å; D201-K204 WeakPolarHBondContact O-CB 3.45Å; D201-K204 PolarHBondContact O-N 2.84Å; D201-K204 VanDerWaalsContact O-N 3.12Å
202L90.2Very high88.7Confident1 Ų148.9 Ų48.91%0.00524%0.238CC..G310 helixtrans-68.8-17.1175.3-66.3-179.1000113.7Y67 F68 P105 P195 P198 R200 K204 L205 V213 R217 M337Y67-L202 PolarHBondContact OH-O 3.38Å; F68-L202 HydrophobicContact CE1-CB 4.33Å; F68-L202 HydrophobicContact CZ-CB 4Å; P105-L202 HydrophobicContact CG-CD2 3.66Å; P195-L202 HydrophobicContact CG-CD2 4.36Å; P198-L202 HydrophobicContact CB-CD1 4.13Å; P198-L202 HydrophobicContact CB-CG 4.45Å; P198-L202 VanDerWaalsContact O-CB 3.25Å; P198-L202 WeakPolarHBondContact O-CB 3.5Å; P198-L202 VanDerWaalsContact O-CG 3.29Å; P198-L202 WeakPolarHBondContact O-CG 3.33Å; P198-L202 PolarHBondContact O-N 3.4Å; R200-L202 PolarHBondContact O-N 3.3Å; L202-K204 PolarHBondContact O-N 3.29Å; L202-L205 HydrophobicContact CD2-CD1 3.96Å; L202-V213 HydrophobicContact CD1-CG1 4.19Å; L202-V213 HydrophobicContact CD2-CG1 4.13Å; L202-R217 VanDerWaalsContact CD1-NH1 3.26Å; L202-M337 HydrophobicContact CD1-CE 3.98Å
203L90.9Very high89Confident11 Ų1147.9 Ų47.96%0.05823%0.231CC..G310 helixtrans-76.2-4.9173.8-55.8-178.8000112.8Y67 F68 R200 D201 W335 P388 Q390 T391Y67-L203 HydrophobicContact CD1-CD2 3.99Å; Y67-L203 HydrophobicContact CE1-CD2 3.89Å; Y67-L203 VanDerWaalsContact OH-C 3.3Å; Y67-L203 PolarHBondContact OH-O 3.09Å; F68-L203 HydrophobicContact CE2-CD2 3.71Å; F68-L203 HydrophobicContact CZ-CD2 3.93Å; R200-L203 WeakPolarHBondContact O-CB 3.5Å; R200-L203 PolarHBondContact O-N 3.24Å; D201-L203 PolarHBondContact O-N 3.29Å; L203-W335 HydrophobicContact CD1-CH2 4.4Å; L203-W335 HydrophobicContact CD2-CH2 4.05Å; L203-W335 HydrophobicContact CD2-CZ3 3.93Å; L203-P388 HydrophobicContact CD1-CB 4.35Å; L203-P388 HydrophobicContact CD1-CG 4.32Å; L203-Q390 HydrophobicContact CB-CB 4.3Å; L203-Q390 HydrophobicContact CB-CG 4.17Å; L203-Q390 HydrophobicContact CD2-CB 3.95Å; L203-Q390 HydrophobicContact CG-CB 4.48Å; L203-Q390 PolarHBondContact O-NE2 2.89Å; L203-T391 HydrophobicContact CD1-CG2 4.27Å
204K90.5Very high89.2Confident89 Ų8946 Ų4639%0.38722%0.218SC..G310 helixtrans-89.5-9.1176.6-58.2-172.3174.5-163.10113.4G119 M121 D201 L202G119-K204 PolarHBondContact N-O 2.88Å; M121-K204 HydrophobicContact CB-CB 4.1Å; M121-K204 HydrophobicContact CE-CB 4.47Å; M121-K204 HydrophobicContact CE-CD 4.47Å; D201-K204 WeakPolarHBondContact O-CB 3.45Å; D201-K204 PolarHBondContact O-N 2.84Å; D201-K204 VanDerWaalsContact O-N 3.12Å; L202-K204 PolarHBondContact O-N 3.29Å
205L91.6Very high89.5Confident1 Ų145.4 Ų45.41%0.00522%0.216CC..SBendtrans-70163.1175.1-66.4171.1000110.9Y67 V107 M121 L123 L202 A210 V213Y67-L205 WeakPolarHBondContact CE2-O 3.4Å; Y67-L205 WeakPolarHBondContact OH-CA 3.34Å; Y67-L205 WeakPolarHBondContact OH-CB 3.19Å; Y67-L205 PolarHBondContact OH-N 3.24Å; Y67-L205 VanDerWaalsContact OH-N 3.16Å; Y67-L205 PolarHBondContact OH-O 2.97Å; V107-L205 HydrophobicContact CG1-CD2 4.21Å; M121-L205 HydrophobicContact CB-CD2 4.22Å; M121-L205 HydrophobicContact CG-CD2 3.79Å; M121-L205 HydrophobicContact SD-CD2 4.07Å; M121-L205 HydrophobicContact SD-CG 4.37Å; L123-L205 HydrophobicContact CD2-CD1 4.49Å; L123-L205 HydrophobicContact CD2-CD2 4.36Å; L123-L205 HydrophobicContact CG-CD2 4.37Å; L202-L205 HydrophobicContact CD2-CD1 3.96Å; L205-A210 HydrophobicContact CB-CB 4.33Å; L205-V213 HydrophobicContact CD1-CB 4.42Å; L205-V213 HydrophobicContact CD1-CG2 3.9Å
206S91.6Very high89.9Confident44 Ų4445 Ų4531%0.30821%0.213SC..  trans-65.5153.7163.467.80000110.7E208 E209 A210S206-E208 PolarHBondContact O-N 2.8Å; S206-E209 PolarHBondContact O-N 2.75Å; S206-E209 WeakPolarHBondContact OG-CB 2.95Å; S206-E209 WeakPolarHBondContact OG-CG 3.25Å; S206-E209 PolarHBondContact OG-N 2.84Å; S206-A210 WeakPolarHBondContact O-CB 3.34Å; S206-A210 PolarHBondContact O-N 2.92Å
207E89.4Confident90.6Very high82 Ų8234.9 Ų34.938%0.38318%0.175SC..Hα-helixtrans-56.1-38.8177-75.5168.2-171.600112.7Y67 R70 G211Y67-E207 HydrophobicContact CD2-CB 4.46Å; Y67-E207 HydrophobicContact CD2-CG 3.56Å; Y67-E207 HydrophobicContact CE2-CG 3.97Å; R70-E207 IonicContact NH1-OE2 3.93Å; E207-G211 PolarHBondContact O-N 3.03Å; E207-G211 VanDerWaalsContact O-N 3.1Å
208E89.6Confident91.2Very high72 Ų7233.6 Ų33.634%0.33617%0.166SC..Hα-helixtrans-60.6-48.4177.5-74.1-172.7175.300112.2R70 T72 S206R70-E208 HydrophobicContact CG-CG 4.35Å; R70-E208 IonicContact CZ-OE1 3.62Å; R70-E208 VanDerWaalsContact NE-CG 3.35Å; R70-E208 IonicContact NE-OE1 3.55Å; R70-E208 IonicContact NH2-OE1 3.5Å; R70-E208 PolarHBondContact NH2-OE1 3.37Å; T72-E208 HydrophobicContact CG2-CB 3.53Å; T72-E208 HydrophobicContact CG2-CG 3.55Å; S206-E208 PolarHBondContact O-N 2.8Å
209E93.6Very high92.2Very high15 Ų1532.5 Ų32.57%0.0716%0.159CC..Hα-helixtrans-75.3-35179.9-71.6-172150.500112K122 L123 R125 S206 G211 V212 V213K122-E209 WeakPolarHBondContact CA-OE2 3.22Å; L123-E209 HydrophobicContact CD1-CB 3.63Å; L123-E209 HydrophobicContact CD1-CG 3.88Å; L123-E209 HydrophobicContact CG-CB 4Å; L123-E209 HydrophobicContact CG-CG 4.23Å; L123-E209 PolarHBondContact N-OE2 3.44Å; L123-E209 VanDerWaalsContact N-OE2 3.08Å; R125-E209 IonicContact CZ-OE1 3.97Å; R125-E209 IonicContact NE-OE1 3.34Å; R125-E209 IonicContact NH2-OE1 2.73Å; R125-E209 PolarHBondContact NH2-OE1 2.96Å; S206-E209 PolarHBondContact O-N 2.75Å; S206-E209 WeakPolarHBondContact OG-CB 2.95Å; S206-E209 WeakPolarHBondContact OG-CG 3.25Å; S206-E209 PolarHBondContact OG-N 2.84Å; E209-G211 VanDerWaalsContact C-N 3.34Å; E209-G211 PolarHBondContact O-N 3.16Å; E209-V212 PolarHBondContact O-N 2.89Å; E209-V213 WeakPolarHBondContact O-CG2 3.4Å; E209-V213 PolarHBondContact O-N 3.08Å
210A93.9Very high93.2Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-57.2-47.2175.400000111Y67 F68 L205 S206 V212 V213 A214Y67-A210 HydrophobicContact CD1-CB 4.03Å; Y67-A210 HydrophobicContact CE1-CB 3.42Å; Y67-A210 VanDerWaalsContact CE1-CB 3.42Å; Y67-A210 HydrophobicContact CE2-CB 4.09Å; Y67-A210 VanDerWaalsContact CZ-CB 3.46Å; F68-A210 HydrophobicContact CD1-CB 3.56Å; F68-A210 VanDerWaalsContact CD1-O 3.31Å; F68-A210 WeakPolarHBondContact CD1-O 3.3Å; F68-A210 HydrophobicContact CE1-CB 3.78Å; F68-A210 HydrophobicContact CG-CB 4.48Å; L205-A210 HydrophobicContact CB-CB 4.33Å; S206-A210 WeakPolarHBondContact O-CB 3.34Å; S206-A210 PolarHBondContact O-N 2.92Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 2.97Å; A210-V213 PolarHBondContact O-N 3.13Å; A210-V213 VanDerWaalsContact O-N 3.16Å; A210-A214 PolarHBondContact O-N 3.44Å
211G93.8Very high93.9Very high9 Ų920.4 Ų20.49%0.09311%0.106CC..Hα-helixtrans-58-43.2178.500000113.5F68 E207 E209 A214 Q215F68-G211 WeakPolarHBondContact O-CA 3.24Å; E207-G211 PolarHBondContact O-N 3.03Å; E207-G211 VanDerWaalsContact O-N 3.1Å; E209-G211 VanDerWaalsContact C-N 3.34Å; E209-G211 PolarHBondContact O-N 3.16Å; G211-A214 PolarHBondContact O-N 2.92Å; G211-Q215 PolarHBondContact O-N 3.08Å
212V95.8Very high94.4Very high5 Ų519.9 Ų19.93%0.0310%0.103CC..Hα-helixtrans-64.5-42.9175.7-178.70000111.4T72 L73 L98 L145 W171 E209 A210 A214 Q215 A216T72-V212 VanDerWaalsContact OG1-CG2 3.25Å; T72-V212 WeakPolarHBondContact OG1-CG2 3.47Å; L73-V212 HydrophobicContact CD1-CG1 3.96Å; L73-V212 HydrophobicContact CD1-CG2 4.03Å; L73-V212 HydrophobicContact CG-CG2 4.05Å; L98-V212 HydrophobicContact CD1-CG1 3.63Å; L145-V212 HydrophobicContact CD1-CG1 3.78Å; W171-V212 HydrophobicContact CE3-CG1 4.24Å; W171-V212 HydrophobicContact CZ3-CG1 4.4Å; E209-V212 PolarHBondContact O-N 2.89Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 2.97Å; V212-A214 VanDerWaalsContact C-N 3.31Å; V212-A214 PolarHBondContact O-N 3.06Å; V212-Q215 PolarHBondContact O-N 2.02Å; V212-A216 WeakPolarHBondContact O-CB 3.38Å; V212-A216 PolarHBondContact O-N 2.93Å
213V96.1Very high94.7Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-62.9-38.7175.9170.60000111.5F100 P105 L123 L202 L205 E209 A210 Q215 A216 R217F100-V213 HydrophobicContact CE1-CG1 4.48Å; F100-V213 HydrophobicContact CZ-CG1 4.48Å; P105-V213 HydrophobicContact CB-CG2 4.39Å; P105-V213 HydrophobicContact CG-CG1 4.12Å; P105-V213 HydrophobicContact CG-CG2 4.25Å; L123-V213 HydrophobicContact CD1-CG2 3.83Å; L123-V213 HydrophobicContact CD2-CG2 3.6Å; L123-V213 HydrophobicContact CG-CG2 4.26Å; L202-V213 HydrophobicContact CD1-CG1 4.19Å; L202-V213 HydrophobicContact CD2-CG1 4.13Å; L205-V213 HydrophobicContact CD1-CB 4.42Å; L205-V213 HydrophobicContact CD1-CG2 3.9Å; E209-V213 WeakPolarHBondContact O-CG2 3.4Å; E209-V213 PolarHBondContact O-N 3.08Å; A210-V213 PolarHBondContact O-N 3.13Å; A210-V213 VanDerWaalsContact O-N 3.16Å; V213-Q215 PolarHBondContact O-N 3.3Å; V213-A216 PolarHBondContact O-N 2.91Å; V213-R217 HydrophobicContact CG1-CB 4.4Å; V213-R217 WeakPolarHBondContact O-CB 3.49Å; V213-R217 PolarHBondContact O-N 3.26Å
214A95.8Very high94.9Very high5 Ų522.8 Ų22.84%0.04112%0.124CC..Hα-helixtrans-60.2-47.4179.100000111.2F68 A210 G211 V212 S218 P334 P336F68-A214 HydrophobicContact CB-CB 3.89Å; F68-A214 HydrophobicContact CD1-CB 3.96Å; F68-A214 HydrophobicContact CG-CB 4.18Å; A210-A214 PolarHBondContact O-N 3.44Å; G211-A214 PolarHBondContact O-N 2.92Å; V212-A214 VanDerWaalsContact C-N 3.31Å; V212-A214 PolarHBondContact O-N 3.06Å; A214-S218 WeakPolarHBondContact O-CB 3.38Å; A214-S218 PolarHBondContact O-N 2.79Å; A214-S218 VanDerWaalsContact O-N 3.15Å; A214-S218 PolarHBondContact O-OG 2.98Å; A214-S218 VanDerWaalsContact O-OG 3.1Å; A214-P334 HydrophobicContact CB-CB 4.34Å; A214-P336 HydrophobicContact CB-CB 4.24Å; A214-P336 HydrophobicContact CB-CG 4Å
215Q97.4Very high95.1Very high19 Ų1926.4 Ų26.49%0.08914%0.135CC..Hα-helixtrans-59.2-55.1173.1175.1-179.712.700111.8R75 L145 G211 V212 V213 R217 S218 V219 Y243R75-Q215 VanDerWaalsContact NH1-CG 3.34Å; L145-Q215 HydrophobicContact CD2-CG 4.31Å; L145-Q215 PolarHBondContact O-NE2 3.25Å; L145-Q215 PolarHBondContact O-OE1 2.95Å; G211-Q215 PolarHBondContact O-N 3.08Å; V212-Q215 PolarHBondContact O-N 2.02Å; V213-Q215 PolarHBondContact O-N 3.3Å; Q215-R217 PolarHBondContact O-N 3.11Å; Q215-S218 PolarHBondContact O-N 3.45Å; Q215-V219 WeakPolarHBondContact O-CG2 3.31Å; Q215-V219 PolarHBondContact O-N 2.93Å; Q215-Y243 PolarHBondContact NE2-OH 3.15Å
216A97.4Very high95.3Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-59.5-50.7-17400000111.2F100 I143 L145 A173 V212 V213 S218 V219 L220F100-A216 HydrophobicContact CE2-CB 3.82Å; F100-A216 HydrophobicContact CZ-CB 3.65Å; I143-A216 HydrophobicContact CD1-CB 4.3Å; I143-A216 WeakPolarHBondContact CD1-O 3.32Å; L145-A216 HydrophobicContact CD1-CB 4.28Å; L145-A216 HydrophobicContact CD2-CB 3.72Å; A173-A216 HydrophobicContact CB-CB 3.72Å; V212-A216 WeakPolarHBondContact O-CB 3.38Å; V212-A216 PolarHBondContact O-N 2.93Å; V213-A216 PolarHBondContact O-N 2.91Å; A216-S218 PolarHBondContact O-N 3.37Å; A216-V219 PolarHBondContact O-N 3.33Å; A216-L220 WeakPolarHBondContact O-CB 3.49Å; A216-L220 WeakPolarHBondContact O-CG 3.1Å; A216-L220 PolarHBondContact O-N 2.86Å
217R96.9Very high95.4Very high22 Ų2230 Ų308%0.08315%0.149CC..Hα-helixtrans-65.8-39.9-175.5-173.6162.8171.3-111-12.6112.7F100 L103 L202 V213 Q215 L220 A221 P336 M337F100-R217 HydrophobicContact CE1-CB 4.08Å; L103-R217 HydrophobicContact CB-CG 4.29Å; L103-R217 WeakPolarHBondContact O-CD 3.25Å; L103-R217 WeakPolarHBondContact O-CG 3.4Å; L103-R217 PolarHBondContact O-NE 3.13Å; L103-R217 VanDerWaalsContact O-NE 3.08Å; L202-R217 VanDerWaalsContact CD1-NH1 3.26Å; V213-R217 HydrophobicContact CG1-CB 4.4Å; V213-R217 WeakPolarHBondContact O-CB 3.49Å; V213-R217 PolarHBondContact O-N 3.26Å; Q215-R217 PolarHBondContact O-N 3.11Å; R217-L220 PolarHBondContact O-N 2.79Å; R217-A221 WeakPolarHBondContact O-CB 3.37Å; R217-A221 PolarHBondContact O-N 2.91Å; R217-P336 HydrophobicContact CB-CB 4.31Å; R217-P336 HydrophobicContact CG-CB 4.5Å; R217-P336 PolarHBondContact NH1-O 2.93Å; R217-P336 PolarHBondContact NH2-O 3.37Å; R217-M337 PolarHBondContact NH1-SD 3.42Å; R217-M337 PolarHBondContact NH2-SD 3.01Å
218S97.6Very high95.8Very high25 Ų2532.8 Ų32.818%0.17516%0.16CC..Hα-helixtrans-65.9-39.9177.7-67.20000112.5A214 Q215 A216 A221 W222 P338 S339A214-S218 WeakPolarHBondContact O-CB 3.38Å; A214-S218 PolarHBondContact O-N 2.79Å; A214-S218 VanDerWaalsContact O-N 3.15Å; A214-S218 PolarHBondContact O-OG 2.98Å; A214-S218 VanDerWaalsContact O-OG 3.1Å; Q215-S218 PolarHBondContact O-N 3.45Å; A216-S218 PolarHBondContact O-N 3.37Å; S218-A221 PolarHBondContact O-N 3.1Å; S218-W222 PolarHBondContact O-N 3.2Å; S218-P338 WeakPolarHBondContact CA-O 3.46Å; S218-P338 WeakPolarHBondContact CB-O 3.38Å; S218-P338 PolarHBondContact OG-O 2.88Å; S218-S339 PolarHBondContact O-OG 2.85Å
219V98.2Very high96.2Very high8 Ų829.6 Ų29.65%0.04815%0.146CC..Hα-helixtrans-71-41.3176.8-179.20000111.2I143 Q215 A216 A221 W222 H223 Y243 P264I143-V219 HydrophobicContact CB-CG1 4.47Å; I143-V219 HydrophobicContact CD1-CB 3.84Å; I143-V219 HydrophobicContact CD1-CG1 4.04Å; I143-V219 HydrophobicContact CG2-CG1 3.98Å; Q215-V219 WeakPolarHBondContact O-CG2 3.31Å; Q215-V219 PolarHBondContact O-N 2.93Å; A216-V219 PolarHBondContact O-N 3.33Å; V219-A221 VanDerWaalsContact C-N 3.35Å; V219-A221 PolarHBondContact O-N 3.26Å; V219-W222 HydrophobicContact CG1-CE3 4.49Å; V219-W222 WeakPolarHBondContact O-CB 3.18Å; V219-W222 PolarHBondContact O-N 2.67Å; V219-H223 PolarHBondContact O-N 3.18Å; V219-Y243 HydrophobicContact CG2-CD1 4.34Å; V219-Y243 HydrophobicContact CG2-CE1 3.72Å; V219-P264 HydrophobicContact CG2-CG 4.5Å
220L97.4Very high96.3Very high2 Ų232.8 Ų32.81%0.0117%0.168CC..Hα-helixtrans-63.7-39.3174.2-69174000112.1F100 L103 V141 I143 A173 N175 A216 R217 W222 H223 S224F100-L220 HydrophobicContact CB-CD1 3.79Å; F100-L220 HydrophobicContact CD1-CD1 3.88Å; F100-L220 HydrophobicContact CD2-CD1 3.67Å; F100-L220 HydrophobicContact CE1-CD1 4.38Å; F100-L220 HydrophobicContact CE2-CD1 4.2Å; F100-L220 HydrophobicContact CG-CD1 3.5Å; L103-L220 HydrophobicContact CD2-CB 3.75Å; V141-L220 HydrophobicContact CB-CD2 4.29Å; V141-L220 HydrophobicContact CG1-CD2 3.65Å; I143-L220 HydrophobicContact CD1-CD2 4.05Å; I143-L220 HydrophobicContact CD1-CG 3.81Å; I143-L220 HydrophobicContact CG1-CD2 4.25Å; I143-L220 HydrophobicContact CG1-CG 4.47Å; I143-L220 HydrophobicContact CG2-CD2 4.12Å; A173-L220 HydrophobicContact CB-CD1 4.31Å; N175-L220 HydrophobicContact CB-CD1 3.98Å; N175-L220 HydrophobicContact CB-CD2 3.66Å; N175-L220 HydrophobicContact CB-CG 4.3Å; A216-L220 WeakPolarHBondContact O-CB 3.49Å; A216-L220 WeakPolarHBondContact O-CG 3.1Å; A216-L220 PolarHBondContact O-N 2.86Å; R217-L220 PolarHBondContact O-N 2.79Å; L220-W222 VanDerWaalsContact C-N 3.3Å; L220-W222 PolarHBondContact O-N 2.8Å; L220-H223 PolarHBondContact O-N 2.99Å; L220-S224 PolarHBondContact O-N 3.21Å
221A96.6Very high96.5Very high2 Ų235.5 Ų35.52%0.01719%0.185CC..Hα-helixtrans-66.3-33.9176.300000112.2L103 R217 S218 V219 S224 R225 P338L103-A221 HydrophobicContact CD1-CB 3.7Å; L103-A221 HydrophobicContact CD2-CB 4.09Å; R217-A221 WeakPolarHBondContact O-CB 3.37Å; R217-A221 PolarHBondContact O-N 2.91Å; S218-A221 PolarHBondContact O-N 3.1Å; V219-A221 VanDerWaalsContact C-N 3.35Å; V219-A221 PolarHBondContact O-N 3.26Å; A221-S224 PolarHBondContact O-OG 2.82Å; A221-R225 PolarHBondContact O-N 3.27Å; A221-P338 HydrophobicContact CB-CB 3.7Å
222W97.8Very high96.7Very high6 Ų637.9 Ų37.92%0.02320%0.199CC..Hα-helixtrans-63.7-47.6170172.469000110.8S218 V219 L220 S224 R225 Y226 R245 C262 Y263 P264S218-W222 PolarHBondContact O-N 3.2Å; V219-W222 HydrophobicContact CG1-CE3 4.49Å; V219-W222 WeakPolarHBondContact O-CB 3.18Å; V219-W222 PolarHBondContact O-N 2.67Å; L220-W222 VanDerWaalsContact C-N 3.3Å; L220-W222 PolarHBondContact O-N 2.8Å; W222-S224 VanDerWaalsContact C-N 3.3Å; W222-S224 PolarHBondContact O-N 2.83Å; W222-R225 PolarHBondContact O-N 3.1Å; W222-R225 VanDerWaalsContact O-N 3.15Å; W222-Y226 AromaticContact CD1-CD2 3.26Å; W222-Y226 AromaticContact CD1-CE2 3.81Å; W222-Y226 AromaticContact CD1-CG 3.42Å; W222-Y226 VanDerWaalsContact CD1-CG 3.42Å; W222-Y226 HydrophobicContact CG-CD2 4.15Å; W222-Y226 HydrophobicContact CG-CG 4.42Å; W222-Y226 AromaticContact NE1-CD1 3.84Å; W222-Y226 AromaticContact NE1-CD2 3.85Å; W222-Y226 AromaticContact NE1-CG 3.46Å; W222-Y226 WeakPolarHBondContact O-CB 3.39Å; W222-Y226 WeakPolarHBondContact O-CD2 3.48Å; W222-Y226 PolarHBondContact O-N 3.03Å; W222-R245 HydrophobicContact CH2-CB 3.9Å; W222-R245 HydrophobicContact CH2-CG 3.47Å; W222-R245 VanDerWaalsContact CH2-CG 3.47Å; W222-R245 HydrophobicContact CZ2-CB 4.07Å; W222-R245 HydrophobicContact CZ2-CG 3.89Å; W222-R245 HydrophobicContact CZ3-CG 3.93Å; W222-C262 WeakPolarHBondContact CH2-O 3.39Å; W222-Y263 VanDerWaalsContact CZ2-C 3.42Å; W222-Y263 WeakPolarHBondContact CZ2-O 3.38Å; W222-Y263 PolarHBondContact NE1-O 3.14Å; W222-P264 HydrophobicContact CD2-CB 4.25Å; W222-P264 HydrophobicContact CD2-CG 4.26Å; W222-P264 HydrophobicContact CE3-CB 4.24Å; W222-P264 HydrophobicContact CE3-CG 3.81Å; W222-P264 HydrophobicContact CG-CB 4.46Å; W222-P264 HydrophobicContact CH2-CG 4.26Å; W222-P264 HydrophobicContact CZ3-CG 3.79Å
223H96.7Very high96.7Very high5 Ų540.1 Ų40.12%0.02322%0.223CC..Hα-helixtrans-60.7-34.8177.2-75.1-39.1000114.2V141 V219 L220 R225 S227 M238 G242 R245V141-H223 HydrophobicContact CG1-CB 4.1Å; V141-H223 VanDerWaalsContact CG1-CD2 3.42Å; V141-H223 WeakPolarHBondContact CG1-CD2 3.31Å; V219-H223 PolarHBondContact O-N 3.18Å; L220-H223 PolarHBondContact O-N 2.99Å; H223-R225 VanDerWaalsContact C-N 3.26Å; H223-R225 PolarHBondContact O-N 3.43Å; H223-S227 PolarHBondContact O-OG 3.43Å; H223-M238 WeakPolarHBondContact NE2-CE 3.08Å; H223-G242 PolarHBondContact CE1-O 2.81Å; H223-G242 VanDerWaalsContact CE1-O 3.27Å; H223-G242 PolarHBondContact NE2-O 3.19Å; H223-R245 PolarHBondContact ND1-NH1 3.47Å
224S94.6Very high96.7Very high68 Ų6841.3 Ų41.348%0.47624%0.236SC..Hα-helixtrans-70.7-20178.870.40000113.9L220 A221 W222L220-S224 PolarHBondContact O-N 3.21Å; A221-S224 PolarHBondContact O-OG 2.82Å; W222-S224 VanDerWaalsContact C-N 3.3Å; W222-S224 PolarHBondContact O-N 2.83Å
225R95.3Very high96.8Very high165 Ų16543.4 Ų43.462%0.62325%0.253SS*.Hα-helixtrans-112.3-20.2-176.1-61.8178.9-176.3-174.71.3114.3A221 W222 H223A221-R225 PolarHBondContact O-N 3.27Å; W222-R225 PolarHBondContact O-N 3.1Å; W222-R225 VanDerWaalsContact O-N 3.15Å; H223-R225 VanDerWaalsContact C-N 3.26Å; H223-R225 PolarHBondContact O-N 3.43Å
226Y95.8Very high96.8Very high72 Ų7243.3 Ų43.328%0.28225%0.254SS..  trans-114.840-172.3-68.7-103000112.8W222 F228 R245 R265W222-Y226 AromaticContact CD1-CD2 3.26Å; W222-Y226 AromaticContact CD1-CE2 3.81Å; W222-Y226 AromaticContact CD1-CG 3.42Å; W222-Y226 VanDerWaalsContact CD1-CG 3.42Å; W222-Y226 HydrophobicContact CG-CD2 4.15Å; W222-Y226 HydrophobicContact CG-CG 4.42Å; W222-Y226 AromaticContact NE1-CD1 3.84Å; W222-Y226 AromaticContact NE1-CD2 3.85Å; W222-Y226 AromaticContact NE1-CG 3.46Å; W222-Y226 WeakPolarHBondContact O-CB 3.39Å; W222-Y226 WeakPolarHBondContact O-CD2 3.48Å; W222-Y226 PolarHBondContact O-N 3.03Å; Y226-F228 PolarHBondContact O-N 3Å; Y226-R245 WeakPolarHBondContact O-CD 3.38Å; Y226-R245 PolarHBondContact O-NE 2.97Å; Y226-R265 VanDerWaalsContact OH-CD 3.25Å; Y226-R265 WeakPolarHBondContact OH-CD 3.2Å; Y226-R265 PolarHBondContact OH-NH1 3.14Å
227S93.4Very high96.7Very high48 Ų4847.9 Ų47.934%0.33627%0.274SS..  trans-69.6-18178.8-61.10000114.2H223 T236H223-S227 PolarHBondContact O-OG 3.43Å; S227-T236 VanDerWaalsContact C-OG1 3.31Å; S227-T236 PolarHBondContact O-N 3.29Å; S227-T236 PolarHBondContact O-OG1 3.04Å
228F97.5Very high96.7Very high140 Ų14049.9 Ų49.961%0.61429%0.285SS*.BIsolated β-bridgetrans-116.4151-179.6-63.2-88.4000111.4Y226 P230 G233 G234Y226-F228 PolarHBondContact O-N 3Å; F228-P230 WeakPolarHBondContact O-CD 3.45Å; F228-G233 WeakPolarHBondContact CD1-O 3.02Å; F228-G234 WeakPolarHBondContact CA-O 3.44Å
229C97.7Very high96.6Very high5 Ų550.7 Ų50.73%0.03429%0.286CS..  trans-71.2120.8-178.9178.60000110T231 C232 G233 G234 T236 C247C229-T231 PolarHBondContact O-N 2.83Å; C229-T231 VanDerWaalsContact O-N 3.15Å; C229-T231 PolarHBondContact SG-N 2.86Å; C229-C232 PolarHBondContact O-N 3.22Å; C229-G233 WeakPolarHBondContact O-CA 3.27Å; C229-G233 PolarHBondContact O-N 2.87Å; C229-G234 WeakPolarHBondContact CB-O 3.29Å; C229-G234 PolarHBondContact N-O 2.85Å; C229-T236 HydrophobicContact CB-CG2 3.84Å; C229-C247 HydrophobicContact CB-CB 4.08Å
230P97.6Very high96.6Very high82 Ų8252.9 Ų52.953%0.53230%0.295SS..THydrogen-bonded Turntrans-61.9-23.5178.5-23.834.6000114F228 T261F228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-T261 HydrophobicContact CB-CG2 4Å; P230-T261 HydrophobicContact CG-CG2 4.08Å
231T97.3Very high96.5Very high58 Ų5853.6 Ų53.636%0.35630%0.303SS..THydrogen-bonded Turntrans-81.3-34-176.6-50.10000113.6C229 R253C229-T231 PolarHBondContact O-N 2.83Å; C229-T231 VanDerWaalsContact O-N 3.15Å; C229-T231 PolarHBondContact SG-N 2.86Å; T231-R253 HydrophobicContact CG2-CB 4.27Å
232C97Very high96.5Very high58 Ų5853.6 Ų53.639%0.39230%0.304SS..THydrogen-bonded Turntrans-136.6-3.6-172.173.80000115.1C229 G234 C247C229-C232 PolarHBondContact O-N 3.22Å; C232-G234 PolarHBondContact O-N 3.3Å; C232-G234 PolarHBondContact SG-N 3.08Å; C232-C247 PolarHBondContact SG-SG 3.03Å
233G97.1Very high96.6Very high52 Ų5254.4 Ų54.454%0.53631%0.307SS..  trans75.6-5.6-177.500000115.3F228 C229F228-G233 WeakPolarHBondContact CD1-O 3.02Å; C229-G233 WeakPolarHBondContact O-CA 3.27Å; C229-G233 PolarHBondContact O-N 2.87Å
234G96.7Very high96.6Very high25 Ų2556 Ų5626%0.25831%0.314SS..  trans-67.7157.7179.300000113.5F228 C229 C232F228-G234 WeakPolarHBondContact CA-O 3.44Å; C229-G234 WeakPolarHBondContact CB-O 3.29Å; C229-G234 PolarHBondContact N-O 2.85Å; C232-G234 PolarHBondContact O-N 3.3Å; C232-G234 PolarHBondContact SG-N 3.08Å
235A96.8Very high96.8Very high50 Ų5054 Ų5441%0.41330%0.296SS..BIsolated β-bridgetrans-61.2153.7174.600000112L248A235-L248 HydrophobicContact CB-CD1 4.02Å; A235-L248 WeakPolarHBondContact O-CB 3.49Å; A235-L248 WeakPolarHBondContact O-CG 3.07Å; A235-L248 PolarHBondContact O-N 3.35Å
236T97.3Very high96.8Very high17 Ų1746.6 Ų46.610%0.10427%0.27CS..EExtended strand (participates in β ladder)trans-125.1151.8-179.959.10000110.9S227 C229 R245 S246S227-T236 VanDerWaalsContact C-OG1 3.31Å; S227-T236 PolarHBondContact O-N 3.29Å; S227-T236 PolarHBondContact O-OG1 3.04Å; C229-T236 HydrophobicContact CB-CG2 3.84Å; T236-R245 PolarHBondContact O-NH2 3.1Å; T236-R245 VanDerWaalsContact OG1-CZ 3.27Å; T236-R245 PolarHBondContact OG1-NE 2.62Å; T236-R245 PolarHBondContact OG1-NH2 2.84Å; T236-S246 CarbonylContact C-O 3.56Å; T236-S246 VanDerWaalsContact CA-O 3.25Å; T236-S246 WeakPolarHBondContact CA-O 3.22Å
237K95.8Very high96.9Very high96 Ų9643.5 Ų43.542%0.41726%0.258SS..EExtended strand (participates in β ladder)trans-109.9149.3171.955.4170168.9151.60111E239 R245 S246 L248K237-E239 WeakPolarHBondContact CE-OE1 3.31Å; K237-E239 IonicContact NZ-OE1 2.73Å; K237-E239 PolarHBondContact NZ-OE1 3.22Å; K237-R245 CarbonylContact O-C 3.47Å; K237-R245 VanDerWaalsContact O-CA 3.25Å; K237-R245 WeakPolarHBondContact O-CA 3.32Å; K237-S246 PolarHBondContact N-O 2.89Å; K237-S246 PolarHBondContact O-N 3.24Å; K237-L248 HydrophobicContact CB-CD2 3.98Å; K237-L248 HydrophobicContact CD-CD2 3.81Å; K237-L248 HydrophobicContact CG-CD2 3.67Å
238M96.1Very high97.1Very high64 Ų6446.4 Ų46.432%0.31527%0.269SS..EExtended strand (participates in β ladder)trans-76141.4173.4-70.6173.251.400111.3V141 T142 I143 H223 K244 R245V141-M238 HydrophobicContact CG1-CE 3.84Å; V141-M238 HydrophobicContact CG1-SD 3.92Å; V141-M238 HydrophobicContact CG2-SD 4.35Å; T142-M238 WeakPolarHBondContact O-CE 3.03Å; I143-M238 HydrophobicContact CG2-CE 4.45Å; H223-M238 WeakPolarHBondContact NE2-CE 3.08Å; M238-K244 CarbonylContact C-O 3.57Å; M238-K244 WeakPolarHBondContact CA-O 3.44Å; M238-R245 VanDerWaalsContact CG-NH1 3.29Å
239E96.1Very high97.1Very high41 Ų4143.3 Ų43.319%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-142.6175.7175.8-63.7-172.2154.900109.7K237 G241 G242 Y243 K244 S246K237-E239 WeakPolarHBondContact CE-OE1 3.31Å; K237-E239 IonicContact NZ-OE1 2.73Å; K237-E239 PolarHBondContact NZ-OE1 3.22Å; E239-G241 PolarHBondContact O-N 3.28Å; E239-G242 PolarHBondContact O-N 3.36Å; E239-Y243 PolarHBondContact O-N 2.96Å; E239-K244 HydrophobicContact CB-CB 4.19Å; E239-K244 PolarHBondContact N-O 2.78Å; E239-K244 PolarHBondContact O-N 2.83Å; E239-S246 WeakPolarHBondContact OE2-CB 3.45Å; E239-S246 PolarHBondContact OE2-OG 2.79Å
240E97.2Very high96.9Very high54 Ų5447.2 Ų47.225%0.25229%0.287SS..G310 helixtrans52.151.7173.1-60.3-177.6-161.900114.2R80 T81 G242 Y243 K244R80-E240 HydrophobicContact CB-CB 4.25Å; R80-E240 WeakPolarHBondContact CB-O 3.4Å; R80-E240 CarbonylContact O-C 3.59Å; R80-E240 VanDerWaalsContact O-C 3.24Å; R80-E240 WeakPolarHBondContact O-CA 3.43Å; T81-E240 HydrophobicContact CG2-CG 4Å; E240-G242 PolarHBondContact O-N 3.37Å; E240-G242 VanDerWaalsContact O-N 3.09Å; E240-Y243 PolarHBondContact O-N 3.49Å; E240-K244 HydrophobicContact CB-CB 3.91Å; E240-K244 HydrophobicContact CG-CB 4.06Å; E240-K244 HydrophobicContact CG-CD 3.98Å; E240-K244 WeakPolarHBondContact OE1-CD 3.33Å; E240-K244 IonicContact OE1-NZ 2.9Å; E240-K244 PolarHBondContact OE1-NZ 3.19Å
241G96.8Very high96.8Very high17 Ų1750.1 Ų50.118%0.17529%0.293CS..G310 helixtrans59.523.4179.700000114.3R80 I143 F144 E239R80-G241 PolarHBondContact O-N 3.06Å; I143-G241 WeakPolarHBondContact CA-O 3.34Å; F144-G241 PolarHBondContact N-O 2.95Å; E239-G241 PolarHBondContact O-N 3.28Å
242G97.2Very high96.8Very high3 Ų347.6 Ų47.63%0.03128%0.278CS..G310 helixtrans95.1-0.5-176.800000114.8H223 E239 E240 K244H223-G242 PolarHBondContact CE1-O 2.81Å; H223-G242 VanDerWaalsContact CE1-O 3.27Å; H223-G242 PolarHBondContact NE2-O 3.19Å; E239-G242 PolarHBondContact O-N 3.36Å; E240-G242 PolarHBondContact O-N 3.37Å; E240-G242 VanDerWaalsContact O-N 3.09Å; G242-K244 VanDerWaalsContact C-N 3.33Å
243Y98.3Very high96.8Very high22 Ų2253.4 Ų53.49%0.08629%0.291CS..THydrogen-bonded Turntrans-94.39.6-179.5-69.1-99.2000113.2R80 F144 Q215 V219 E239 E240 P264R80-Y243 HydrophobicContact CG-CD2 4.34Å; F144-Y243 WeakPolarHBondContact O-CE2 3.39Å; F144-Y243 PolarHBondContact O-OH 3.06Å; Q215-Y243 PolarHBondContact NE2-OH 3.15Å; V219-Y243 HydrophobicContact CG2-CD1 4.34Å; V219-Y243 HydrophobicContact CG2-CE1 3.72Å; E239-Y243 PolarHBondContact O-N 2.96Å; E240-Y243 PolarHBondContact O-N 3.49Å; Y243-P264 HydrophobicContact CD1-CG 4.21Å; Y243-P264 WeakPolarHBondContact O-CD 3.42Å
244K97.9Very high96.7Very high40 Ų4051.1 Ų51.117%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-144.6146.2175.9-169.8172.8-179.2-176.50112.4M238 E239 E240 G242 C262 Y263M238-K244 CarbonylContact C-O 3.57Å; M238-K244 WeakPolarHBondContact CA-O 3.44Å; E239-K244 HydrophobicContact CB-CB 4.19Å; E239-K244 PolarHBondContact N-O 2.78Å; E239-K244 PolarHBondContact O-N 2.83Å; E240-K244 HydrophobicContact CB-CB 3.91Å; E240-K244 HydrophobicContact CG-CB 4.06Å; E240-K244 HydrophobicContact CG-CD 3.98Å; E240-K244 WeakPolarHBondContact OE1-CD 3.33Å; E240-K244 IonicContact OE1-NZ 2.9Å; E240-K244 PolarHBondContact OE1-NZ 3.19Å; G242-K244 VanDerWaalsContact C-N 3.33Å; K244-C262 CarbonylContact C-O 3.5Å; K244-C262 WeakPolarHBondContact CA-O 3.21Å; K244-C262 HydrophobicContact CG-CB 4.17Å; K244-Y263 HydrophobicContact CD-CE1 4.23Å; K244-Y263 HydrophobicContact CG-CE1 4.34Å
245R97.4Very high96.6Very high26 Ų2653.3 Ų53.310%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-123.7125.7166.1-69-172.781.585.76.2109.6W222 H223 Y226 T236 K237 M238 C262W222-R245 HydrophobicContact CH2-CB 3.9Å; W222-R245 HydrophobicContact CH2-CG 3.47Å; W222-R245 VanDerWaalsContact CH2-CG 3.47Å; W222-R245 HydrophobicContact CZ2-CB 4.07Å; W222-R245 HydrophobicContact CZ2-CG 3.89Å; W222-R245 HydrophobicContact CZ3-CG 3.93Å; H223-R245 PolarHBondContact ND1-NH1 3.47Å; Y226-R245 WeakPolarHBondContact O-CD 3.38Å; Y226-R245 PolarHBondContact O-NE 2.97Å; T236-R245 PolarHBondContact O-NH2 3.1Å; T236-R245 VanDerWaalsContact OG1-CZ 3.27Å; T236-R245 PolarHBondContact OG1-NE 2.62Å; T236-R245 PolarHBondContact OG1-NH2 2.84Å; K237-R245 CarbonylContact O-C 3.47Å; K237-R245 VanDerWaalsContact O-CA 3.25Å; K237-R245 WeakPolarHBondContact O-CA 3.32Å; M238-R245 VanDerWaalsContact CG-NH1 3.29Å; R245-C262 PolarHBondContact N-O 3.35Å; R245-C262 WeakPolarHBondContact O-CA 3.4Å; R245-C262 WeakPolarHBondContact O-CB 3.32Å; R245-C262 PolarHBondContact O-SG 3.3Å; R245-C262 VanDerWaalsContact O-SG 3.37Å
246S97Very high96.5Very high9 Ų957.2 Ų57.26%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-111.4133.5-179.3-66.40000109.7T236 K237 E239T236-S246 CarbonylContact C-O 3.56Å; T236-S246 VanDerWaalsContact CA-O 3.25Å; T236-S246 WeakPolarHBondContact CA-O 3.22Å; K237-S246 PolarHBondContact N-O 2.89Å; K237-S246 PolarHBondContact O-N 3.24Å; E239-S246 WeakPolarHBondContact OE2-CB 3.45Å; E239-S246 PolarHBondContact OE2-OG 2.79Å
247C97.6Very high96.3Very high7 Ų759.4 Ų59.45%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-63.7141.5177.6-170.50000110.8C229 C232 N249 C252 L255C229-C247 HydrophobicContact CB-CB 4.08Å; C232-C247 PolarHBondContact SG-SG 3.03Å; C247-N249 VanDerWaalsContact C-N 3.34Å; C247-N249 PolarHBondContact SG-N 2.94Å; C247-N249 VanDerWaalsContact SG-N 3.41Å; C247-C252 HydrophobicContact CB-CB 4.1Å; C247-L255 HydrophobicContact CB-CD2 4.26Å; C247-L255 HydrophobicContact CB-CG 4.43Å
248L97.1Very high96.2Very high108 Ų10860.6 Ų60.657%0.56532%0.324SS*.SBendtrans-82.5-11.6175.4-64.5-179.3000113.4A235 K237 S250A235-L248 HydrophobicContact CB-CD1 4.02Å; A235-L248 WeakPolarHBondContact O-CB 3.49Å; A235-L248 WeakPolarHBondContact O-CG 3.07Å; A235-L248 PolarHBondContact O-N 3.35Å; K237-L248 HydrophobicContact CB-CD2 3.98Å; K237-L248 HydrophobicContact CD-CD2 3.81Å; K237-L248 HydrophobicContact CG-CD2 3.67Å; L248-S250 PolarHBondContact O-N 3.49Å
249N96.6Very high96.2Very high75 Ų7561 Ų6140%0.40132%0.324SS..  trans-83.1112.5173.1-179.1-4.1000109.8C247 E251 C252 L255C247-N249 VanDerWaalsContact C-N 3.34Å; C247-N249 PolarHBondContact SG-N 2.94Å; C247-N249 VanDerWaalsContact SG-N 3.41Å; N249-E251 PolarHBondContact O-N 2.89Å; N249-E251 PolarHBondContact OD1-N 2.94Å; N249-E251 VanDerWaalsContact OD1-N 3.11Å; N249-C252 HydrophobicContact CB-CB 4.21Å; N249-C252 WeakPolarHBondContact O-CB 2.98Å; N249-C252 PolarHBondContact O-N 2.81Å; N249-C252 VanDerWaalsContact O-N 3.08Å; N249-L255 VanDerWaalsContact O-CD1 3.22Å; N249-L255 WeakPolarHBondContact O-CD1 3.4Å
250S94.6Very high96.1Very high88 Ų8865.6 Ų65.662%0.61535%0.35SS*.THydrogen-bonded Turntrans-59.8-30.4-177.758.90000113.6L248 C252L248-S250 PolarHBondContact O-N 3.49Å; S250-C252 VanDerWaalsContact C-N 3.27Å; S250-C252 PolarHBondContact O-N 3.08Å
251E95.7Very high96Very high143 Ų14364.7 Ų64.767%0.66835%0.348SS*.THydrogen-bonded Turntrans-87.82.8-178.3-53.1-47.9118.900112.5N249 R253N249-E251 PolarHBondContact O-N 2.89Å; N249-E251 PolarHBondContact OD1-N 2.94Å; N249-E251 VanDerWaalsContact OD1-N 3.11Å; E251-R253 PolarHBondContact O-N 3.02Å
252C96.7Very high95.9Very high4 Ų464.2 Ų64.23%0.02734%0.342CS..  trans-69.6129.4-177.8-170.30000111.2C247 N249 S250 S254 L255C247-C252 HydrophobicContact CB-CB 4.1Å; N249-C252 HydrophobicContact CB-CB 4.21Å; N249-C252 WeakPolarHBondContact O-CB 2.98Å; N249-C252 PolarHBondContact O-N 2.81Å; N249-C252 VanDerWaalsContact O-N 3.08Å; S250-C252 VanDerWaalsContact C-N 3.27Å; S250-C252 PolarHBondContact O-N 3.08Å; C252-S254 PolarHBondContact O-N 2.82Å; C252-S254 VanDerWaalsContact O-N 3.08Å; C252-S254 PolarHBondContact SG-OG 3.04Å; C252-L255 HydrophobicContact CB-CG 4.42Å; C252-L255 WeakPolarHBondContact O-CB 3.47Å; C252-L255 PolarHBondContact O-N 2.88Å
253R96.3Very high96Very high180 Ų18067.8 Ų67.868%0.67936%0.355SS*.G310 helixtrans-57-24.6175-68.4-172.1-70.1165.6-2.2113.7T231 E251 L255 Q256 H259T231-R253 HydrophobicContact CG2-CB 4.27Å; E251-R253 PolarHBondContact O-N 3.02Å; R253-L255 PolarHBondContact O-N 2.72Å; R253-L255 VanDerWaalsContact O-N 3.14Å; R253-Q256 PolarHBondContact O-N 2.87Å; R253-H259 PolarHBondContact O-NE2 2.8Å
254S95.4Very high95.9Very high4 Ų468.5 Ų68.53%0.02836%0.363CS..G310 helixtrans-62.8-17.2174.973.70000113.4C252 H259C252-S254 PolarHBondContact O-N 2.82Å; C252-S254 VanDerWaalsContact O-N 3.08Å; C252-S254 PolarHBondContact SG-OG 3.04Å; S254-H259 PolarHBondContact O-CD2 2.87Å
255L94.8Very high95.9Very high72 Ų7273 Ų7338%0.37738%0.379SS..G310 helixtrans-91.6-6.9176.8-56.5-179.7000112.7C247 N249 C252 R253C247-L255 HydrophobicContact CB-CD2 4.26Å; C247-L255 HydrophobicContact CB-CG 4.43Å; N249-L255 VanDerWaalsContact O-CD1 3.22Å; N249-L255 WeakPolarHBondContact O-CD1 3.4Å; C252-L255 HydrophobicContact CB-CG 4.42Å; C252-L255 WeakPolarHBondContact O-CB 3.47Å; C252-L255 PolarHBondContact O-N 2.88Å; R253-L255 PolarHBondContact O-N 2.72Å; R253-L255 VanDerWaalsContact O-N 3.14Å
256Q94.7Very high95.9Very high131 Ų13176.2 Ų76.261%0.61240%0.401SS*.SBendtrans-98.789.4-177.5-62.6178.4-300110R253 H259R253-Q256 PolarHBondContact O-N 2.87Å; Q256-H259 PolarHBondContact O-NE2 2.87Å
257G93.3Very high96Very high63 Ų6377.1 Ų77.165%0.64941%0.406SS*.SBendtrans92.4-162.7-175.300000113
258V94.3Very high96Very high122 Ų12279.2 Ų79.274%0.73942%0.419SS*.  trans-102.7117.2-177.1-177.40000109.3Y263V258-Y263 HydrophobicContact CG1-CE2 3.83Å
259H95.2Very high96.1Very high72 Ų7274.4 Ų74.433%0.33339%0.394SS..  trans-123.9139.9-179.3-63-81.2000111R253 S254 Q256 T261 C262 Y263R253-H259 PolarHBondContact O-NE2 2.8Å; S254-H259 PolarHBondContact O-CD2 2.87Å; Q256-H259 PolarHBondContact O-NE2 2.87Å; H259-T261 PolarHBondContact O-N 3Å; H259-T261 VanDerWaalsContact O-N 3.16Å; H259-C262 PolarHBondContact O-N 2.99Å; H259-Y263 VanDerWaalsContact O-CD2 3.26Å; H259-Y263 WeakPolarHBondContact O-CD2 3.24Å; H259-Y263 WeakPolarHBondContact O-CE2 3.13Å
260N94.9Very high96.2Very high137 Ų13770.8 Ų70.873%0.73338%0.375SS*.G310 helixtrans-60.8-23.6178.164.90.2000113.3C262 Y263N260-C262 PolarHBondContact O-N 3.11Å; N260-Y263 PolarHBondContact O-N 3.42Å
261T94.8Very high96.4Very high35 Ų3567 Ų6722%0.21535%0.348CS..G310 helixtrans-57.9-20.1177.753.90000113.6P230 H259P230-T261 HydrophobicContact CB-CG2 4Å; P230-T261 HydrophobicContact CG-CG2 4.08Å; H259-T261 PolarHBondContact O-N 3Å; H259-T261 VanDerWaalsContact O-N 3.16Å
262C95.1Very high96.5Very high7 Ų760.2 Ų60.25%0.04732%0.316CS..G310 helixtrans-90.8-10.7-179.1-67.30000113.8W222 K244 R245 H259 N260W222-C262 WeakPolarHBondContact CH2-O 3.39Å; K244-C262 CarbonylContact C-O 3.5Å; K244-C262 WeakPolarHBondContact CA-O 3.21Å; K244-C262 HydrophobicContact CG-CB 4.17Å; R245-C262 PolarHBondContact N-O 3.35Å; R245-C262 WeakPolarHBondContact O-CA 3.4Å; R245-C262 WeakPolarHBondContact O-CB 3.32Å; R245-C262 PolarHBondContact O-SG 3.3Å; R245-C262 VanDerWaalsContact O-SG 3.37Å; H259-C262 PolarHBondContact O-N 2.99Å; N260-C262 PolarHBondContact O-N 3.11Å
263Y97.9Very high96.6Very high78 Ų7860 Ų6031%0.30632%0.315SS..SBendtrans-119.3156.7-168.6-59.5-74.9000112.6W222 K244 V258 H259 N260W222-Y263 VanDerWaalsContact CZ2-C 3.42Å; W222-Y263 WeakPolarHBondContact CZ2-O 3.38Å; W222-Y263 PolarHBondContact NE1-O 3.14Å; K244-Y263 HydrophobicContact CD-CE1 4.23Å; K244-Y263 HydrophobicContact CG-CE1 4.34Å; V258-Y263 HydrophobicContact CG1-CE2 3.83Å; H259-Y263 VanDerWaalsContact O-CD2 3.26Å; H259-Y263 WeakPolarHBondContact O-CD2 3.24Å; H259-Y263 WeakPolarHBondContact O-CE2 3.13Å; N260-Y263 PolarHBondContact O-N 3.42Å
264P97.8Very high96.6Very high38 Ų3851.5 Ų51.525%0.24728%0.282CS..  trans-55.2138.6174.2-26.232.7000112.4V219 W222 Y243V219-P264 HydrophobicContact CG2-CG 4.5Å; W222-P264 HydrophobicContact CD2-CB 4.25Å; W222-P264 HydrophobicContact CD2-CG 4.26Å; W222-P264 HydrophobicContact CE3-CB 4.24Å; W222-P264 HydrophobicContact CE3-CG 3.81Å; W222-P264 HydrophobicContact CG-CB 4.46Å; W222-P264 HydrophobicContact CH2-CG 4.26Å; W222-P264 HydrophobicContact CZ3-CG 3.79Å; Y243-P264 HydrophobicContact CD1-CG 4.21Å; Y243-P264 WeakPolarHBondContact O-CD 3.42Å
265R97.2Very high96.8Very high133 Ų13351.5 Ų51.550%0.50228%0.282SS..  trans-85138.7178.5-173.3172.1172.9162.2-0.7110.7Y226 D267 S339Y226-R265 VanDerWaalsContact OH-CD 3.25Å; Y226-R265 WeakPolarHBondContact OH-CD 3.2Å; Y226-R265 PolarHBondContact OH-NH1 3.14Å; R265-D267 IonicContact CZ-OD1 3.29Å; R265-D267 IonicContact NE-OD1 3.82Å; R265-D267 PolarHBondContact NE-OD1 3.35Å; R265-D267 IonicContact NE-OD2 3.56Å; R265-D267 PolarHBondContact NE-OD2 3.21Å; R265-D267 IonicContact NH2-OD1 2.68Å; R265-D267 PolarHBondContact NH2-OD1 3.49Å; R265-S339 VanDerWaalsContact O-CB 3.23Å; R265-S339 WeakPolarHBondContact O-CB 3.45Å
266V97.8Very high96.9Very high95 Ų9549.2 Ų49.258%0.57627%0.269SS*.  trans-127.2122.4167.8178.90000107P268 S339 L341V266-P268 WeakPolarHBondContact O-CD 3.49Å; V266-S339 WeakPolarHBondContact CA-O 3.14Å; V266-L341 HydrophobicContact CG1-CB 3.75Å
267D97.9Very high96.8Very high28 Ų2846.3 Ų46.315%0.1526%0.262CS..EExtended strand (participates in β ladder)trans-98.8110.9-177.3-67.5-56.7000110R265 V269 F301 S339 N340 L341R265-D267 IonicContact CZ-OD1 3.29Å; R265-D267 IonicContact NE-OD1 3.82Å; R265-D267 PolarHBondContact NE-OD1 3.35Å; R265-D267 IonicContact NE-OD2 3.56Å; R265-D267 PolarHBondContact NE-OD2 3.21Å; R265-D267 IonicContact NH2-OD1 2.68Å; R265-D267 PolarHBondContact NH2-OD1 3.49Å; D267-V269 PolarHBondContact O-N 2.95Å; D267-F301 HydrophobicContact CB-CD1 4.13Å; D267-F301 HydrophobicContact CB-CE1 3.79Å; D267-S339 PolarHBondContact N-O 3.31Å; D267-N340 CarbonylContact O-C 3.55Å; D267-N340 VanDerWaalsContact O-CA 3.28Å; D267-N340 WeakPolarHBondContact O-CA 3.24Å; D267-L341 PolarHBondContact O-N 3.01Å
268P98.1Very high96.6Very high50 Ų5046.7 Ų46.733%0.32525%0.249SC..EExtended strand (participates in β ladder)trans-69.5128.2176.928.3-33.6000110.7V266 V302 I343V266-P268 WeakPolarHBondContact O-CD 3.49Å; P268-V302 HydrophobicContact CB-CB 4.2Å; P268-V302 HydrophobicContact CB-CG2 3.98Å; P268-V302 HydrophobicContact CG-CB 3.98Å; P268-V302 HydrophobicContact CG-CG2 4.33Å; P268-V302 PolarHBondContact O-N 3.44Å; P268-I343 HydrophobicContact CB-CD1 4.03Å
269V98.6Very high96.3Very high7 Ų740.9 Ų40.94%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-127.7119.4179.1177.60000108D267 A299 G300 F301 N340 L341 M342 I343D267-V269 PolarHBondContact O-N 2.95Å; V269-A299 HydrophobicContact CG1-CB 4.34Å; V269-G300 CarbonylContact C-O 3.59Å; V269-G300 VanDerWaalsContact CA-O 3.31Å; V269-G300 WeakPolarHBondContact CA-O 3.28Å; V269-G300 WeakPolarHBondContact CG1-O 3.4Å; V269-F301 HydrophobicContact CG2-CD1 3.49Å; V269-F301 VanDerWaalsContact CG2-CD1 3.49Å; V269-F301 HydrophobicContact CG2-CE1 3.49Å; V269-F301 VanDerWaalsContact CG2-CE1 3.49Å; V269-F301 HydrophobicContact CG2-CG 4.25Å; V269-F301 HydrophobicContact CG2-CZ 4.25Å; V269-N340 HydrophobicContact CG2-CB 3.96Å; V269-L341 PolarHBondContact N-O 3.44Å; V269-M342 HydrophobicContact CB-CE 4.2Å; V269-M342 HydrophobicContact CB-SD 3.85Å; V269-M342 HydrophobicContact CG1-CE 3.56Å; V269-M342 HydrophobicContact CG1-SD 3.84Å; V269-M342 HydrophobicContact CG2-SD 4.4Å; V269-M342 CarbonylContact O-C 3.46Å; V269-M342 WeakPolarHBondContact O-CA 3.48Å; V269-I343 PolarHBondContact O-N 3.4Å
270V98.6Very high96.1Very high0 Ų040.7 Ų40.70%022%0.216CC..EExtended strand (participates in β ladder)trans-77.9140.8170.6-70.10000109.5M272 A299 G300 V302 L308 A311 V312 E315 I343V270-M272 HydrophobicContact CG2-SD 4.49Å; V270-A299 CarbonylContact O-C 3.52Å; V270-A299 WeakPolarHBondContact O-CA 3.3Å; V270-A299 WeakPolarHBondContact O-CB 3.44Å; V270-G300 WeakPolarHBondContact CG2-O 3.42Å; V270-G300 PolarHBondContact N-O 2.81Å; V270-G300 PolarHBondContact O-N 3.28Å; V270-V302 HydrophobicContact CG1-CG2 3.81Å; V270-L308 HydrophobicContact CG1-CB 4.36Å; V270-L308 HydrophobicContact CG1-CD2 4.06Å; V270-A311 HydrophobicContact CG1-CB 4.05Å; V270-A311 HydrophobicContact CG2-CB 3.83Å; V270-V312 HydrophobicContact CB-CG2 3.75Å; V270-V312 HydrophobicContact CG1-CG2 3.95Å; V270-V312 HydrophobicContact CG2-CG2 4.09Å; V270-E315 HydrophobicContact CG2-CG 4.35Å; V270-I343 WeakPolarHBondContact CA-O 3.47Å
271I98.5Very high96.1Very high9 Ų936.4 Ų36.45%0.04619%0.191CC..EExtended strand (participates in β ladder)trans-134.2122171.3179.8161.6000108.3C297 L298 A299 M342 I343 G344 C345 I392 A393 L396I271-C297 HydrophobicContact CD1-CB 4Å; I271-C297 HydrophobicContact CG1-CB 3.58Å; I271-L298 WeakPolarHBondContact CA-O 3.43Å; I271-A299 HydrophobicContact CB-CB 3.85Å; I271-A299 HydrophobicContact CD1-CB 4.21Å; I271-A299 HydrophobicContact CG1-CB 3.96Å; I271-M342 HydrophobicContact CB-CE 4.11Å; I271-M342 HydrophobicContact CD1-CE 4.2Å; I271-M342 HydrophobicContact CG2-CB 4.19Å; I271-M342 HydrophobicContact CG2-CE 4.21Å; I271-I343 PolarHBondContact N-O 3.36Å; I271-G344 CarbonylContact O-C 3.5Å; I271-G344 WeakPolarHBondContact O-CA 3.48Å; I271-C345 PolarHBondContact O-N 2.84Å; I271-I392 HydrophobicContact CD1-CG2 4.02Å; I271-I392 HydrophobicContact CG2-CD1 4.19Å; I271-I392 HydrophobicContact CG2-CG1 4.45Å; I271-I392 HydrophobicContact CG2-CG2 3.67Å; I271-A393 HydrophobicContact CD1-CB 3.86Å; I271-L396 HydrophobicContact CG1-CD1 4.4Å; I271-L396 HydrophobicContact CG2-CD1 4.33Å; I271-L396 WeakPolarHBondContact O-CD1 3.48Å
272M98.4Very high96.2Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-125.6131.8-166.756.2-74.7-168.200112.2V270 V274 C297 L298 V312 E315 T316 C345V270-M272 HydrophobicContact CG2-SD 4.49Å; M272-V274 HydrophobicContact CG-CG2 4.04Å; M272-C297 WeakPolarHBondContact O-CB 3.25Å; M272-L298 HydrophobicContact CE-CB 3.56Å; M272-L298 PolarHBondContact N-O 2.96Å; M272-L298 HydrophobicContact SD-CB 4.21Å; M272-V312 HydrophobicContact CB-CG1 3.87Å; M272-V312 HydrophobicContact CB-CG2 4.23Å; M272-V312 HydrophobicContact CG-CG1 3.96Å; M272-V312 HydrophobicContact SD-CG2 4.5Å; M272-E315 HydrophobicContact CE-CB 3.5Å; M272-T316 VanDerWaalsContact CE-OG1 3.24Å; M272-T316 WeakPolarHBondContact CE-OG1 3.41Å; M272-C345 VanDerWaalsContact CA-O 3.3Å; M272-C345 WeakPolarHBondContact CA-O 3.26Å; M272-C345 HydrophobicContact CB-CB 4.38Å
273L98.2Very high96.4Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-92.2111.8161.7-172.279.3000108.4C282 L284 C345 L346 A347 L396 I397 W400L273-C282 HydrophobicContact CD1-CB 3.92Å; L273-C282 HydrophobicContact CD2-CB 4.46Å; L273-C282 HydrophobicContact CG-CB 4.13Å; L273-L284 HydrophobicContact CD1-CD2 3.74Å; L273-C345 PolarHBondContact N-O 3.08Å; L273-L346 HydrophobicContact CB-CD2 3.92Å; L273-L346 HydrophobicContact CD2-CD2 4.03Å; L273-A347 PolarHBondContact O-N 2.93Å; L273-L396 HydrophobicContact CB-CB 4.16Å; L273-I397 HydrophobicContact CD1-CG1 3.75Å; L273-W400 HydrophobicContact CD2-CB 3.2Å; L273-W400 HydrophobicContact CD2-CD2 4.02Å; L273-W400 HydrophobicContact CD2-CE3 4.27Å; L273-W400 HydrophobicContact CD2-CG 3.58Å
274V98.2Very high96.4Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-90.8120-179.6-174.10000109.1M272 C282 L283 T316 V324 A347 A349 W366M272-V274 HydrophobicContact CG-CG2 4.04Å; V274-C282 CarbonylContact O-C 3.6Å; V274-C282 WeakPolarHBondContact O-CA 3.44Å; V274-L283 HydrophobicContact CB-CB 3.91Å; V274-L283 HydrophobicContact CB-CD2 4.38Å; V274-L283 HydrophobicContact CG2-CD2 4.48Å; V274-L283 PolarHBondContact O-N 2.69Å; V274-T316 HydrophobicContact CG2-CG2 3.79Å; V274-V324 HydrophobicContact CG1-CG2 3.82Å; V274-V324 HydrophobicContact CG2-CG2 4.26Å; V274-A347 CarbonylContact C-O 3.54Å; V274-A347 WeakPolarHBondContact CA-O 3.47Å; V274-A347 HydrophobicContact CB-CB 4.41Å; V274-A347 HydrophobicContact CG1-CB 4.42Å; V274-A347 HydrophobicContact CG2-CB 4.04Å; V274-A349 HydrophobicContact CG1-CB 3.75Å; V274-W366 HydrophobicContact CG1-CH2 4.15Å
275I97.7Very high96.3Very high4 Ų429.1 Ų29.12%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-90.3130.7179.6-52.6171.1000108A347 A349 L407I275-A347 PolarHBondContact N-O 3.19Å; I275-A349 PolarHBondContact O-N 3.22Å; I275-L407 HydrophobicContact CD1-CD1 4.46Å; I275-L407 HydrophobicContact CG2-CD1 4.04Å
276H96.8Very high96.2Very high25 Ų2523.6 Ų23.612%0.11613%0.133CC..PPolyproline II helixtrans-64151.8176.4-174.2-93.2000111D278 G279 Q281 T352 W366H276-D278 IonicContact CE1-OD1 3.12Å; H276-D278 IonicContact CE1-OD2 3.37Å; H276-D278 PolarHBondContact CE1-OD2 2.83Å; H276-D278 IonicContact CG-OD1 3.63Å; H276-D278 PolarHBondContact ND1-N 3.12Å; H276-D278 IonicContact ND1-OD1 3.97Å; H276-D278 PolarHBondContact ND1-OD1 2.8Å; H276-D278 IonicContact ND1-OD2 2.9Å; H276-D278 PolarHBondContact ND1-OD2 2.87Å; H276-D278 VanDerWaalsContact ND1-OD2 3.14Å; H276-D278 PolarHBondContact O-N 2.95Å; H276-G279 PolarHBondContact O-N 3.33Å; H276-Q281 HydrophobicContact CB-CB 3.73Å; H276-Q281 WeakPolarHBondContact CB-O 3.2Å; H276-Q281 PolarHBondContact N-O 3.28Å; H276-T352 WeakPolarHBondContact NE2-CG2 3.29Å; H276-W366 HydrophobicContact CB-CD2 4.41Å; H276-W366 HydrophobicContact CB-CE3 3.74Å; H276-W366 HydrophobicContact CB-CH2 4.23Å; H276-W366 HydrophobicContact CB-CZ3 3.62Å; H276-W366 AromaticContact CD2-CD2 3.65Å; H276-W366 AromaticContact CD2-CE2 3.68Å; H276-W366 AromaticContact CD2-CE3 3.88Å; H276-W366 AromaticContact CD2-CZ2 3.96Å
277P92.9Very high95.9Very high70 Ų7022 Ų2246%0.45512%0.119SC..THydrogen-bonded Turntrans-55.7-24.8-179.1-25.231.2000115.3G279 A349 T352P277-G279 VanDerWaalsContact C-N 3.28Å; P277-G279 PolarHBondContact O-N 2.78Å; P277-A349 WeakPolarHBondContact CG-O 3.49Å; P277-T352 HydrophobicContact CG-CG2 3.99Å
278D90.5Very high95.3Very high70 Ų7027.2 Ų27.237%0.37414%0.14SC..THydrogen-bonded Turntrans-79.7-4176.371.53.3000114.4H276 N280 Q281H276-D278 IonicContact CE1-OD1 3.12Å; H276-D278 IonicContact CE1-OD2 3.37Å; H276-D278 PolarHBondContact CE1-OD2 2.83Å; H276-D278 IonicContact CG-OD1 3.63Å; H276-D278 PolarHBondContact ND1-N 3.12Å; H276-D278 IonicContact ND1-OD1 3.97Å; H276-D278 PolarHBondContact ND1-OD1 2.8Å; H276-D278 IonicContact ND1-OD2 2.9Å; H276-D278 PolarHBondContact ND1-OD2 2.87Å; H276-D278 VanDerWaalsContact ND1-OD2 3.14Å; H276-D278 PolarHBondContact O-N 2.95Å; D278-N280 PolarHBondContact O-N 3.16Å; D278-N280 VanDerWaalsContact O-N 3.15Å; D278-N280 PolarHBondContact O-ND2 2.88Å; D278-N280 PolarHBondContact OD1-N 3.46Å; D278-Q281 PolarHBondContact OD1-N 3.16Å; D278-Q281 PolarHBondContact OD2-NE2 2.95Å
279G87.9Confident94.8Very high1 Ų131 Ų311%0.0116%0.162CC..SBendtrans72.5-5.6-178.800000115.9H276 P277 R369H276-G279 PolarHBondContact O-N 3.33Å; P277-G279 VanDerWaalsContact C-N 3.28Å; P277-G279 PolarHBondContact O-N 2.78Å; G279-R369 PolarHBondContact O-NH2 2.59Å
280N90.6Very high94.2Very high68 Ų6833.6 Ų33.636%0.36417%0.173SC..SBendtrans-110.3-0.5-168.2-72.8-46.7000114.4D278 R369 S405D278-N280 PolarHBondContact O-N 3.16Å; D278-N280 VanDerWaalsContact O-N 3.15Å; D278-N280 PolarHBondContact O-ND2 2.88Å; D278-N280 PolarHBondContact OD1-N 3.46Å; N280-R369 WeakPolarHBondContact O-CB 3.41Å; N280-R369 PolarHBondContact O-N 3.23Å; N280-S405 WeakPolarHBondContact OD1-CB 3.28Å
281Q95.3Very high93.6Very high47 Ų4737.6 Ų37.622%0.2220%0.199CC..EExtended strand (participates in β ladder)trans-132.9156.6177.1-44.9178.860.700110.3H276 D278 W366 F367H276-Q281 HydrophobicContact CB-CB 3.73Å; H276-Q281 WeakPolarHBondContact CB-O 3.2Å; H276-Q281 PolarHBondContact N-O 3.28Å; D278-Q281 PolarHBondContact OD1-N 3.16Å; D278-Q281 PolarHBondContact OD2-NE2 2.95Å; Q281-W366 HydrophobicContact CB-CB 4.47Å; Q281-W366 HydrophobicContact CB-CE3 4.47Å; Q281-F367 CarbonylContact C-O 3.58Å; Q281-F367 VanDerWaalsContact CA-O 3.26Å; Q281-F367 WeakPolarHBondContact CA-O 3.4Å
282C96.9Very high93Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-128.8150.4171.367.70000111.4L273 V274 W366 F367 W400L273-C282 HydrophobicContact CD1-CB 3.92Å; L273-C282 HydrophobicContact CD2-CB 4.46Å; L273-C282 HydrophobicContact CG-CB 4.13Å; V274-C282 CarbonylContact O-C 3.6Å; V274-C282 WeakPolarHBondContact O-CA 3.44Å; C282-W366 WeakPolarHBondContact O-CA 3.43Å; C282-F367 PolarHBondContact N-O 3.42Å; C282-F367 PolarHBondContact O-N 2.75Å; C282-W400 HydrophobicContact CB-CD2 4.31Å; C282-W400 HydrophobicContact CB-CE3 4.18Å; C282-W400 HydrophobicContact CB-CH2 3.85Å; C282-W400 HydrophobicContact CB-CZ2 4.01Å; C282-W400 HydrophobicContact CB-CZ3 3.96Å; C282-W400 VanDerWaalsContact SG-CZ3 3.53Å
283L98.3Very high92.5Very high0 Ų045.1 Ų45.10%025%0.25CC..EExtended strand (participates in β ladder)trans-84.9128.3175.5-170.164.5000108.9V274 L298 T316 S320 V322 I354 A364 W366V274-L283 HydrophobicContact CB-CB 3.91Å; V274-L283 HydrophobicContact CB-CD2 4.38Å; V274-L283 HydrophobicContact CG2-CD2 4.48Å; V274-L283 PolarHBondContact O-N 2.69Å; L283-L298 HydrophobicContact CD2-CD1 3.86Å; L283-T316 HydrophobicContact CD2-CG2 4.23Å; L283-S320 WeakPolarHBondContact CD2-OG 3.22Å; L283-V322 HydrophobicContact CD2-CB 4.14Å; L283-V322 HydrophobicContact CD2-CG2 4.03Å; L283-I354 HydrophobicContact CD1-CD1 3.6Å; L283-I354 HydrophobicContact CD1-CG1 4.17Å; L283-A364 HydrophobicContact CD1-CB 4.31Å; L283-W366 HydrophobicContact CB-CE3 3.9Å; L283-W366 HydrophobicContact CB-CH2 3.94Å; L283-W366 HydrophobicContact CB-CZ3 3.57Å; L283-W366 HydrophobicContact CD1-CD2 4.18Å; L283-W366 HydrophobicContact CD1-CE3 4.37Å; L283-W366 HydrophobicContact CD1-CZ2 4.38Å
284L97.7Very high92.3Very high0 Ų046.6 Ų46.60%026%0.257CS..EExtended strand (participates in β ladder)trans-130.7146.6168.5-54.5170.8000109.5L273 F295 S296 A364 R365 F367 F384 I397L273-L284 HydrophobicContact CD1-CD2 3.74Å; L284-F295 HydrophobicContact CB-CB 3.91Å; L284-F295 HydrophobicContact CB-CD1 4.42Å; L284-F295 HydrophobicContact CD1-CB 4.39Å; L284-S296 CarbonylContact C-O 3.53Å; L284-S296 WeakPolarHBondContact CA-O 2.83Å; L284-A364 WeakPolarHBondContact O-CA 3.46Å; L284-R365 PolarHBondContact N-O 3.37Å; L284-R365 VanDerWaalsContact N-O 3.08Å; L284-R365 PolarHBondContact O-N 2.9Å; L284-F367 HydrophobicContact CB-CD2 3.72Å; L284-F367 HydrophobicContact CB-CE2 3.68Å; L284-F367 HydrophobicContact CD1-CD2 3.81Å; L284-F367 HydrophobicContact CD1-CE2 4.24Å; L284-F367 HydrophobicContact CD1-CG 4.19Å; L284-F367 HydrophobicContact CG-CD2 3.91Å; L284-F367 HydrophobicContact CG-CE2 4.34Å; L284-F384 HydrophobicContact CD1-CE2 3.74Å; L284-F384 HydrophobicContact CD1-CZ 4.26Å; L284-I397 HydrophobicContact CD1-CD1 4.44Å; L284-I397 HydrophobicContact CD2-CD1 3.92Å; L284-I397 HydrophobicContact CD2-CG1 4.18Å
285G96.2Very high92.2Very high4 Ų446.8 Ų46.84%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-122.7165.817800000112.7F295 S296 E363G285-F295 CarbonylContact O-C 3.56Å; G285-F295 WeakPolarHBondContact O-CA 3.47Å; G285-S296 PolarHBondContact N-O 2.75Å; G285-S296 PolarHBondContact O-N 2.88Å; G285-E363 CarbonylContact C-O 3.48Å; G285-E363 VanDerWaalsContact CA-O 3.22Å; G285-E363 WeakPolarHBondContact CA-O 3.32Å
286R94.5Very high92.1Very high17 Ų1747.3 Ų47.36%0.06426%0.262CS..EExtended strand (participates in β ladder)trans-136.4142.4172.360.6166.1-78.299.6-2.4111.8F290 P291 M294 F295 I361 E362 E363R286-F290 HydrophobicContact CB-CD2 4.35Å; R286-F290 PolarHBondContact NH2-O 3.04Å; R286-P291 PolarHBondContact NH1-O 2.97Å; R286-M294 WeakPolarHBondContact CB-O 3.42Å; R286-M294 PolarHBondContact NH1-O 3.15Å; R286-M294 VanDerWaalsContact NH1-O 3.16Å; R286-F295 HydrophobicContact CB-CD1 4.19Å; R286-F295 HydrophobicContact CB-CE1 4.31Å; R286-F295 HydrophobicContact CB-CG 4.4Å; R286-F295 HydrophobicContact CG-CD1 4.17Å; R286-F295 HydrophobicContact CG-CE1 3.78Å; R286-F295 HydrophobicContact CG-CE2 4.38Å; R286-F295 HydrophobicContact CG-CZ 3.89Å; R286-I361 WeakPolarHBondContact O-CB 3.25Å; R286-E362 HydrophobicContact CG-CB 4.36Å; R286-E362 IonicContact CZ-OE2 2.87Å; R286-E362 IonicContact NE-OE2 3.14Å; R286-E362 PolarHBondContact NE-OE2 3.16Å; R286-E362 IonicContact NH2-OE2 3.56Å; R286-E362 PolarHBondContact NH2-OE2 2.92Å; R286-E362 PolarHBondContact O-N 3.06Å; R286-E363 HydrophobicContact CG-CB 3.88Å; R286-E363 PolarHBondContact N-O 2.83Å
287K91.3Very high92.1Very high61 Ų6146.6 Ų46.627%0.26526%0.26SS..  trans-94152.7171.4-58.7-161.6-179-147.70109.9V289 F290 E319 E360 I361K287-V289 HydrophobicContact CB-CG2 4.14Å; K287-V289 PolarHBondContact O-N 3.35Å; K287-V289 VanDerWaalsContact O-N 3.08Å; K287-F290 HydrophobicContact CB-CD1 4.14Å; K287-F290 HydrophobicContact CB-CE1 4.1Å; K287-F290 HydrophobicContact CB-CG 4.36Å; K287-F290 HydrophobicContact CB-CZ 4.3Å; K287-F290 HydrophobicContact CG-CE1 4.42Å; K287-F290 HydrophobicContact CG-CE2 4.5Å; K287-F290 HydrophobicContact CG-CZ 4.21Å; K287-F290 VanDerWaalsContact O-CB 3.3Å; K287-F290 WeakPolarHBondContact O-CB 3.32Å; K287-F290 PolarHBondContact O-N 3.44Å; K287-E319 WeakPolarHBondContact CE-OE1 3.27Å; K287-E319 IonicContact NZ-OE1 3.15Å; K287-E319 PolarHBondContact NZ-OE1 3.37Å; K287-E360 IonicContact NZ-OE2 3.21Å; K287-I361 HydrophobicContact CG-CG2 4.13Å
288K87.2Confident92.4Very high139 Ų13943.4 Ų43.460%0.60424%0.239SC*.THydrogen-bonded Turntrans-54.8-30.4179.2-69.1172.7175.7150.60113.3F290 E358 E362K288-F290 VanDerWaalsContact C-N 3.31Å; K288-F290 PolarHBondContact O-N 3.19Å; K288-E358 PolarHBondContact NZ-O 2.98Å; K288-E362 HydrophobicContact CG-CB 3.88Å; K288-E362 HydrophobicContact CG-CG 4.19Å
289V87.3Confident92.7Very high130 Ų13041.2 Ų41.279%0.78823%0.231SC*.THydrogen-bonded Turntrans-78.7-10.7180-610000114K287K287-V289 HydrophobicContact CB-CG2 4.14Å; K287-V289 PolarHBondContact O-N 3.35Å; K287-V289 VanDerWaalsContact O-N 3.08Å
290F86Confident93.2Very high60 Ų6041.6 Ų41.626%0.26323%0.234SC..SBendtrans-75.5150-179.7-73.24.3000111.1R286 K287 K288 M294R286-F290 HydrophobicContact CB-CD2 4.35Å; R286-F290 PolarHBondContact NH2-O 3.04Å; K287-F290 HydrophobicContact CB-CD1 4.14Å; K287-F290 HydrophobicContact CB-CE1 4.1Å; K287-F290 HydrophobicContact CB-CG 4.36Å; K287-F290 HydrophobicContact CB-CZ 4.3Å; K287-F290 HydrophobicContact CG-CE1 4.42Å; K287-F290 HydrophobicContact CG-CE2 4.5Å; K287-F290 HydrophobicContact CG-CZ 4.21Å; K287-F290 VanDerWaalsContact O-CB 3.3Å; K287-F290 WeakPolarHBondContact O-CB 3.32Å; K287-F290 PolarHBondContact O-N 3.44Å; K288-F290 VanDerWaalsContact C-N 3.31Å; K288-F290 PolarHBondContact O-N 3.19Å; F290-M294 HydrophobicContact CB-CE 3.85Å; F290-M294 HydrophobicContact CD1-CE 4.09Å; F290-M294 HydrophobicContact CD2-CE 3.61Å; F290-M294 HydrophobicContact CE2-CE 4.17Å; F290-M294 HydrophobicContact CG-CE 3.58Å
291P85.9Confident93.5Very high84 Ų8443.8 Ų43.855%0.54524%0.241SC..PPolyproline II helixtrans-47.6145.2168.2-26.534.9000111.6R286 G293 M294R286-P291 PolarHBondContact NH1-O 2.97Å; P291-G293 PolarHBondContact O-N 3.43Å; P291-M294 HydrophobicContact CB-CB 4.33Å; P291-M294 HydrophobicContact CG-CE 4.5Å; P291-M294 HydrophobicContact CG-SD 4.31Å; P291-M294 WeakPolarHBondContact O-CB 3.49Å; P291-M294 PolarHBondContact O-N 3.4Å
292V86.1Confident93.7Very high142 Ų14242.8 Ų42.886%0.86124%0.238SC*.THydrogen-bonded Turntrans-57.1132.4-179.4178.70000109.5M294V292-M294 PolarHBondContact O-N 3.43Å
293G87.8Confident93.8Very high25 Ų2548.2 Ų48.226%0.25826%0.263SS..THydrogen-bonded Turntrans78.3-3.418000000115.2P291 F384 V385P291-G293 PolarHBondContact O-N 3.43Å; G293-F384 WeakPolarHBondContact O-CA 3.5Å; G293-V385 PolarHBondContact O-N 3.24Å
294M92.8Very high93.8Very high32 Ų3254.6 Ų54.616%0.15831%0.305CS..BIsolated β-bridgetrans-80.3124.5175.9-167.1175.682.400111.3R286 F290 P291 V292 V385R286-M294 WeakPolarHBondContact CB-O 3.42Å; R286-M294 PolarHBondContact NH1-O 3.15Å; R286-M294 VanDerWaalsContact NH1-O 3.16Å; F290-M294 HydrophobicContact CB-CE 3.85Å; F290-M294 HydrophobicContact CD1-CE 4.09Å; F290-M294 HydrophobicContact CD2-CE 3.61Å; F290-M294 HydrophobicContact CE2-CE 4.17Å; F290-M294 HydrophobicContact CG-CE 3.58Å; P291-M294 HydrophobicContact CB-CB 4.33Å; P291-M294 HydrophobicContact CG-CE 4.5Å; P291-M294 HydrophobicContact CG-SD 4.31Å; P291-M294 WeakPolarHBondContact O-CB 3.49Å; P291-M294 PolarHBondContact O-N 3.4Å; V292-M294 PolarHBondContact O-N 3.43Å; M294-V385 CarbonylContact C-O 3.56Å; M294-V385 VanDerWaalsContact CA-O 3.24Å; M294-V385 WeakPolarHBondContact CA-O 3.35Å
295F96.1Very high93.7Very high4 Ų459 Ų592%0.01835%0.349CS..  trans-120.2142.4173-76.4-101.2000110L284 G285 R286 E363 R365 F367 F384 V385 P387L284-F295 HydrophobicContact CB-CB 3.91Å; L284-F295 HydrophobicContact CB-CD1 4.42Å; L284-F295 HydrophobicContact CD1-CB 4.39Å; G285-F295 CarbonylContact O-C 3.56Å; G285-F295 WeakPolarHBondContact O-CA 3.47Å; R286-F295 HydrophobicContact CB-CD1 4.19Å; R286-F295 HydrophobicContact CB-CE1 4.31Å; R286-F295 HydrophobicContact CB-CG 4.4Å; R286-F295 HydrophobicContact CG-CD1 4.17Å; R286-F295 HydrophobicContact CG-CE1 3.78Å; R286-F295 HydrophobicContact CG-CE2 4.38Å; R286-F295 HydrophobicContact CG-CZ 3.89Å; F295-E363 HydrophobicContact CE1-CB 4.25Å; F295-E363 HydrophobicContact CE1-CG 4.12Å; F295-E363 HydrophobicContact CZ-CB 4.39Å; F295-E363 HydrophobicContact CZ-CG 4.18Å; F295-E363 WeakPolarHBondContact CZ-OE2 3.26Å; F295-R365 VanDerWaalsContact CE2-NH2 3.28Å; F295-R365 VanDerWaalsContact CZ-NH2 3.27Å; F295-F367 HydrophobicContact CB-CE2 4.33Å; F295-F367 HydrophobicContact CB-CZ 4.22Å; F295-F367 AromaticContact CD1-CE2 3.67Å; F295-F367 HydrophobicContact CD1-CE2 3.67Å; F295-F367 AromaticContact CD1-CZ 3.6Å; F295-F367 HydrophobicContact CD1-CZ 3.6Å; F295-F367 AromaticContact CD2-CZ 3.95Å; F295-F367 HydrophobicContact CD2-CZ 3.95Å; F295-F367 HydrophobicContact CE1-CE2 4.13Å; F295-F367 AromaticContact CE1-CZ 3.85Å; F295-F367 HydrophobicContact CE1-CZ 3.85Å; F295-F367 HydrophobicContact CE2-CZ 4.19Å; F295-F367 HydrophobicContact CG-CE2 4Å; F295-F367 AromaticContact CG-CZ 3.64Å; F295-F367 HydrophobicContact CG-CZ 3.64Å; F295-F367 HydrophobicContact CZ-CZ 4.14Å; F295-F384 HydrophobicContact CB-CD2 4.03Å; F295-F384 HydrophobicContact CD2-CB 3.91Å; F295-F384 HydrophobicContact CD2-CD2 4.41Å; F295-F384 HydrophobicContact CE2-CB 4.43Å; F295-V385 PolarHBondContact N-O 2.87Å; F295-P387 WeakPolarHBondContact O-CD 3.43Å
296S96.4Very high93.8Very high15 Ų1560.9 Ų60.911%0.10536%0.357CS..BIsolated β-bridgetrans-136.2167.5-176.3-176.60000110.9L284 G285 A393L284-S296 CarbonylContact C-O 3.53Å; L284-S296 WeakPolarHBondContact CA-O 2.83Å; G285-S296 PolarHBondContact N-O 2.75Å; G285-S296 PolarHBondContact O-N 2.88Å; S296-A393 WeakPolarHBondContact OG-CB 3.44Å
297C97.7Very high93.9Very high9 Ų963.4 Ų63.46%0.06138%0.375CS..  trans-53.8147.1162.6-60.50000110.4I271 M272 A393I271-C297 HydrophobicContact CD1-CB 4Å; I271-C297 HydrophobicContact CG1-CB 3.58Å; M272-C297 WeakPolarHBondContact O-CB 3.25Å; C297-A393 HydrophobicContact CB-CB 4.27Å
298L97.8Very high94.3Very high4 Ų463.2 Ų63.22%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-69.3150.5170.1-56.3-175.2000109.2I271 M272 L283 T316 E319 I361I271-L298 WeakPolarHBondContact CA-O 3.43Å; M272-L298 HydrophobicContact CE-CB 3.56Å; M272-L298 PolarHBondContact N-O 2.96Å; M272-L298 HydrophobicContact SD-CB 4.21Å; L283-L298 HydrophobicContact CD2-CD1 3.86Å; L298-T316 HydrophobicContact CD1-CG2 4.19Å; L298-E319 WeakPolarHBondContact CB-OE2 3.48Å; L298-E319 HydrophobicContact CD1-CB 4.48Å; L298-E319 WeakPolarHBondContact CD2-OE2 3.44Å; L298-I361 HydrophobicContact CD2-CD1 4.36Å
299A97.6Very high94.8Very high24 Ų2460.4 Ų60.420%0.19837%0.365CS..EExtended strand (participates in β ladder)trans-159.8142-177.300000112.4V269 V270 I271 M342V269-A299 HydrophobicContact CG1-CB 4.34Å; V270-A299 CarbonylContact O-C 3.52Å; V270-A299 WeakPolarHBondContact O-CA 3.3Å; V270-A299 WeakPolarHBondContact O-CB 3.44Å; I271-A299 HydrophobicContact CB-CB 3.85Å; I271-A299 HydrophobicContact CD1-CB 4.21Å; I271-A299 HydrophobicContact CG1-CB 3.96Å; A299-M342 HydrophobicContact CB-CE 4.43Å
300G97.4Very high95.3Very high8 Ų858.9 Ų58.98%0.08235%0.35CS..EExtended strand (participates in β ladder)trans-160170177.700000113.8V269 V270 E315V269-G300 CarbonylContact C-O 3.59Å; V269-G300 VanDerWaalsContact CA-O 3.31Å; V269-G300 WeakPolarHBondContact CA-O 3.28Å; V269-G300 WeakPolarHBondContact CG1-O 3.4Å; V270-G300 WeakPolarHBondContact CG2-O 3.42Å; V270-G300 PolarHBondContact N-O 2.81Å; V270-G300 PolarHBondContact O-N 3.28Å; G300-E315 VanDerWaalsContact CA-CD 3.46Å
301F98.4Very high95.9Very high114 Ų11456 Ų5650%0.534%0.337SS..EExtended strand (participates in β ladder)trans-76.1143.9-174.9-71.5-81.1000110.5D267 V269 R314D267-F301 HydrophobicContact CB-CD1 4.13Å; D267-F301 HydrophobicContact CB-CE1 3.79Å; V269-F301 HydrophobicContact CG2-CD1 3.49Å; V269-F301 VanDerWaalsContact CG2-CD1 3.49Å; V269-F301 HydrophobicContact CG2-CE1 3.49Å; V269-F301 VanDerWaalsContact CG2-CE1 3.49Å; V269-F301 HydrophobicContact CG2-CG 4.25Å; V269-F301 HydrophobicContact CG2-CZ 4.25Å; F301-R314 PolarHBondContact O-NH2 3.15Å
302V98.6Very high96.5Very high27 Ų2752 Ų5216%0.16431%0.311CS..PPolyproline II helixtrans-76.6129.9170.6-176.20000109P268 V270 E306 L308 A311P268-V302 HydrophobicContact CB-CB 4.2Å; P268-V302 HydrophobicContact CB-CG2 3.98Å; P268-V302 HydrophobicContact CG-CB 3.98Å; P268-V302 HydrophobicContact CG-CG2 4.33Å; P268-V302 PolarHBondContact O-N 3.44Å; V270-V302 HydrophobicContact CG1-CG2 3.81Å; V302-E306 HydrophobicContact CG1-CB 4.05Å; V302-L308 HydrophobicContact CG2-CD2 3.9Å; V302-A311 HydrophobicContact CB-CB 4.38Å; V302-A311 HydrophobicContact CG1-CB 4.26Å; V302-A311 HydrophobicContact CG2-CB 4.02Å
303E98.4Very high97.1Very high114 Ų11448.3 Ų48.353%0.53328%0.282SS..PPolyproline II helixtrans-85.2157.7179.9-70-155.9154.400113.3G305 E306E303-G305 PolarHBondContact O-N 2.85Å; E303-E306 HydrophobicContact CB-CB 4.3Å; E303-E306 PolarHBondContact N-OE2 2.89Å; E303-E306 WeakPolarHBondContact O-CB 3.44Å; E303-E306 PolarHBondContact O-N 3.41Å
304P98.1Very high97.6Very high134 Ų13449.1 Ų49.187%0.8728%0.277SS*.THydrogen-bonded Turntrans-57.9123.4176.4-24.735.1000112.9E306P304-E306 VanDerWaalsContact C-N 3.31Å
305G96.8Very high97.9Very high91 Ų9148.3 Ų48.394%0.93827%0.273SS*.THydrogen-bonded Turntrans87.3-0.3-178.800000114.1E303E303-G305 PolarHBondContact O-N 2.85Å
306E97.4Very high98Very high44 Ų4448.1 Ų48.121%0.20627%0.272CS..  trans-88145.8179-157.6174.7-148.600111.7V302 E303 P304 E310 A311 R314V302-E306 HydrophobicContact CG1-CB 4.05Å; E303-E306 HydrophobicContact CB-CB 4.3Å; E303-E306 PolarHBondContact N-OE2 2.89Å; E303-E306 WeakPolarHBondContact O-CB 3.44Å; E303-E306 PolarHBondContact O-N 3.41Å; P304-E306 VanDerWaalsContact C-N 3.31Å; E306-E310 HydrophobicContact CG-CB 3.72Å; E306-A311 HydrophobicContact CG-CB 4.1Å; E306-A311 WeakPolarHBondContact OE1-CA 3.3Å; E306-A311 PolarHBondContact OE1-N 3.44Å; E306-A311 WeakPolarHBondContact OE2-CA 3.28Å; E306-A311 VanDerWaalsContact OE2-CB 3.26Å; E306-A311 WeakPolarHBondContact OE2-CB 3.3Å; E306-R314 IonicContact OE1-CZ 3.64Å; E306-R314 IonicContact OE1-NE 3.61Å; E306-R314 PolarHBondContact OE1-NE 2.84Å; E306-R314 IonicContact OE1-NH2 3.35Å; E306-R314 IonicContact OE2-CZ 3.37Å; E306-R314 IonicContact OE2-NE 2.72Å; E306-R314 PolarHBondContact OE2-NE 3.03Å; E306-R314 IonicContact OE2-NH2 2.81Å; E306-R314 PolarHBondContact OE2-NH2 3.39Å
307T97.9Very high98.1Very high71 Ų7151.8 Ų51.844%0.43629%0.288SS..  trans-85.9164.6166.766.80000109.9E309 E310 A311T307-E309 PolarHBondContact O-N 2.88Å; T307-E310 PolarHBondContact O-N 2.93Å; T307-E310 WeakPolarHBondContact OG1-CG 3.3Å; T307-E310 PolarHBondContact OG1-N 3.08Å; T307-E310 VanDerWaalsContact OG1-N 3.1Å; T307-A311 WeakPolarHBondContact O-CB 3.45Å; T307-A311 PolarHBondContact O-N 3.49Å
308L97.9Very high98.1Very high57 Ų5755.7 Ų55.730%0.29831%0.305SS..Hα-helixtrans-61.7-37.5176.5-60.8175.9000111.2V270 V302 A311 V312 I343V270-L308 HydrophobicContact CG1-CB 4.36Å; V270-L308 HydrophobicContact CG1-CD2 4.06Å; V302-L308 HydrophobicContact CG2-CD2 3.9Å; L308-A311 PolarHBondContact O-N 2.85Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.46Å; L308-V312 PolarHBondContact O-N 2.93Å; L308-I343 HydrophobicContact CD1-CD1 4.38Å; L308-I343 HydrophobicContact CD1-CG2 3.85Å; L308-I343 HydrophobicContact CD2-CD1 3.48Å; L308-I343 VanDerWaalsContact CD2-CD1 3.48Å; L308-I343 HydrophobicContact CD2-CG2 4.27Å
309E98.3Very high98Very high79 Ų7955.5 Ų55.537%0.36930%0.304SS..Hα-helixtrans-70.8-36.1-179.3-59.584.1170.800112.1T307 R313 V327T307-E309 PolarHBondContact O-N 2.88Å; E309-R313 VanDerWaalsContact CB-NH1 3.34Å; E309-R313 WeakPolarHBondContact O-CG 3.35Å; E309-R313 PolarHBondContact O-N 2.72Å; E309-R313 PolarHBondContact O-NH1 3.48Å; E309-V327 HydrophobicContact CB-CB 4.03Å; E309-V327 HydrophobicContact CB-CG1 4.38Å; E309-V327 HydrophobicContact CB-CG2 4.33Å; E309-V327 HydrophobicContact CG-CB 3.88Å; E309-V327 HydrophobicContact CG-CG1 4.1Å
310E98.3Very high98Very high99 Ų9954.4 Ų54.446%0.46329%0.294SS..Hα-helixtrans-70.2-42.7173.4-69.4-54.2114.600111.1E306 T307 V312 R313 R314E306-E310 HydrophobicContact CG-CB 3.72Å; T307-E310 PolarHBondContact O-N 2.93Å; T307-E310 WeakPolarHBondContact OG1-CG 3.3Å; T307-E310 PolarHBondContact OG1-N 3.08Å; T307-E310 VanDerWaalsContact OG1-N 3.1Å; E310-V312 VanDerWaalsContact C-N 3.32Å; E310-V312 PolarHBondContact O-N 2.9Å; E310-R313 PolarHBondContact O-N 2.8Å; E310-R313 IonicContact OE1-CZ 3.12Å; E310-R313 IonicContact OE1-NH1 2.69Å; E310-R313 PolarHBondContact OE1-NH1 2.98Å; E310-R314 PolarHBondContact O-N 3Å
311A98.6Very high98Very high0 Ų055.2 Ų55.20%030%0.303CS..Hα-helixtrans-57.7-44.5175.300000111.9V270 V302 E306 T307 L308 R313 R314 E315V270-A311 HydrophobicContact CG1-CB 4.05Å; V270-A311 HydrophobicContact CG2-CB 3.83Å; V302-A311 HydrophobicContact CB-CB 4.38Å; V302-A311 HydrophobicContact CG1-CB 4.26Å; V302-A311 HydrophobicContact CG2-CB 4.02Å; E306-A311 HydrophobicContact CG-CB 4.1Å; E306-A311 WeakPolarHBondContact OE1-CA 3.3Å; E306-A311 PolarHBondContact OE1-N 3.44Å; E306-A311 WeakPolarHBondContact OE2-CA 3.28Å; E306-A311 VanDerWaalsContact OE2-CB 3.26Å; E306-A311 WeakPolarHBondContact OE2-CB 3.3Å; T307-A311 WeakPolarHBondContact O-CB 3.45Å; T307-A311 PolarHBondContact O-N 3.49Å; L308-A311 PolarHBondContact O-N 2.85Å; A311-R313 VanDerWaalsContact C-N 3.3Å; A311-R313 PolarHBondContact O-N 3.47Å; A311-R314 PolarHBondContact O-N 3.3Å; A311-E315 VanDerWaalsContact O-CB 3.25Å; A311-E315 WeakPolarHBondContact O-CB 3.34Å; A311-E315 WeakPolarHBondContact O-CG 3.43Å; A311-E315 PolarHBondContact O-N 3.21Å
312V98.8Very high98Very high0 Ų049.8 Ų49.80%028%0.279CS..Hα-helixtrans-59.2-41.6175.7164.60000111.7V270 M272 L308 E310 T316 V327 C345 A347V270-V312 HydrophobicContact CB-CG2 3.75Å; V270-V312 HydrophobicContact CG1-CG2 3.95Å; V270-V312 HydrophobicContact CG2-CG2 4.09Å; M272-V312 HydrophobicContact CB-CG1 3.87Å; M272-V312 HydrophobicContact CB-CG2 4.23Å; M272-V312 HydrophobicContact CG-CG1 3.96Å; M272-V312 HydrophobicContact SD-CG2 4.5Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.46Å; L308-V312 PolarHBondContact O-N 2.93Å; E310-V312 VanDerWaalsContact C-N 3.32Å; E310-V312 PolarHBondContact O-N 2.9Å; V312-T316 WeakPolarHBondContact O-CB 3.34Å; V312-T316 PolarHBondContact O-N 3.02Å; V312-T316 PolarHBondContact O-OG1 3.28Å; V312-V327 HydrophobicContact CB-CG1 4.03Å; V312-V327 HydrophobicContact CB-CG2 4.13Å; V312-V327 HydrophobicContact CG1-CB 4.48Å; V312-V327 HydrophobicContact CG1-CG1 3.91Å; V312-V327 HydrophobicContact CG1-CG2 3.68Å; V312-V327 HydrophobicContact CG2-CG1 4.01Å; V312-C345 HydrophobicContact CG2-CB 3.95Å; V312-A347 HydrophobicContact CG1-CB 3.96Å
313R98.6Very high98Very high63 Ų6353.5 Ų53.524%0.23829%0.293CS..Hα-helixtrans-69.3-49.2179.7-70.8179.7-167.496.8-1.6111.6E309 E310 A311 T316 E317 V324 G325 V327E309-R313 VanDerWaalsContact CB-NH1 3.34Å; E309-R313 WeakPolarHBondContact O-CG 3.35Å; E309-R313 PolarHBondContact O-N 2.72Å; E309-R313 PolarHBondContact O-NH1 3.48Å; E310-R313 PolarHBondContact O-N 2.8Å; E310-R313 IonicContact OE1-CZ 3.12Å; E310-R313 IonicContact OE1-NH1 2.69Å; E310-R313 PolarHBondContact OE1-NH1 2.98Å; A311-R313 VanDerWaalsContact C-N 3.3Å; A311-R313 PolarHBondContact O-N 3.47Å; R313-T316 PolarHBondContact O-N 2.73Å; R313-E317 PolarHBondContact O-N 2.91Å; R313-V324 WeakPolarHBondContact CD-O 3.16Å; R313-V324 HydrophobicContact CG-CB 4.11Å; R313-V324 HydrophobicContact CG-CG1 4.21Å; R313-G325 PolarHBondContact NE-O 3.32Å; R313-G325 PolarHBondContact NH2-O 2.91Å; R313-V327 HydrophobicContact CG-CG2 4.43Å
314R98.5Very high97.9Very high43 Ų4348.7 Ų48.716%0.16227%0.271CS..Hα-helixtrans-57.9-56.3179.3177.5-176.853.771.92110.8F301 E306 E310 A311 T316 E317 E318F301-R314 PolarHBondContact O-NH2 3.15Å; E306-R314 IonicContact OE1-CZ 3.64Å; E306-R314 IonicContact OE1-NE 3.61Å; E306-R314 PolarHBondContact OE1-NE 2.84Å; E306-R314 IonicContact OE1-NH2 3.35Å; E306-R314 IonicContact OE2-CZ 3.37Å; E306-R314 IonicContact OE2-NE 2.72Å; E306-R314 PolarHBondContact OE2-NE 3.03Å; E306-R314 IonicContact OE2-NH2 2.81Å; E306-R314 PolarHBondContact OE2-NH2 3.39Å; E310-R314 PolarHBondContact O-N 3Å; A311-R314 PolarHBondContact O-N 3.3Å; R314-T316 VanDerWaalsContact C-N 3.29Å; R314-T316 PolarHBondContact O-N 2.95Å; R314-E317 PolarHBondContact O-N 3.27Å; R314-E317 VanDerWaalsContact O-N 3.09Å; R314-E318 WeakPolarHBondContact CD-OE1 3.37Å; R314-E318 VanDerWaalsContact CG-CD 3.41Å; R314-E318 HydrophobicContact CG-CG 4.18Å; R314-E318 WeakPolarHBondContact CG-OE1 3.47Å; R314-E318 IonicContact CZ-OE2 3.21Å; R314-E318 IonicContact NH1-OE2 2.87Å; R314-E318 PolarHBondContact NH1-OE2 3.49Å; R314-E318 WeakPolarHBondContact O-CB 3.42Å; R314-E318 WeakPolarHBondContact O-CG 3.24Å; R314-E318 PolarHBondContact O-N 3.03Å
315E98.2Very high97.8Very high15 Ų1543.2 Ų43.27%0.0724%0.24CC..Hα-helixtrans-60.6-37.7-177.7-70.4-72.3170.800112.2V270 M272 G300 A311 E319V270-E315 HydrophobicContact CG2-CG 4.35Å; M272-E315 HydrophobicContact CE-CB 3.5Å; G300-E315 VanDerWaalsContact CA-CD 3.46Å; A311-E315 VanDerWaalsContact O-CB 3.25Å; A311-E315 WeakPolarHBondContact O-CB 3.34Å; A311-E315 WeakPolarHBondContact O-CG 3.43Å; A311-E315 PolarHBondContact O-N 3.21Å; E315-E319 WeakPolarHBondContact O-CB 3.43Å; E315-E319 PolarHBondContact O-N 2.88Å
316T98.2Very high97.6Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-66-43.8176.2-550000111.2M272 V274 L283 L298 V312 R313 R314 S320 V322 V324M272-T316 VanDerWaalsContact CE-OG1 3.24Å; M272-T316 WeakPolarHBondContact CE-OG1 3.41Å; V274-T316 HydrophobicContact CG2-CG2 3.79Å; L283-T316 HydrophobicContact CD2-CG2 4.23Å; L298-T316 HydrophobicContact CD1-CG2 4.19Å; V312-T316 WeakPolarHBondContact O-CB 3.34Å; V312-T316 PolarHBondContact O-N 3.02Å; V312-T316 PolarHBondContact O-OG1 3.28Å; R313-T316 PolarHBondContact O-N 2.73Å; R314-T316 VanDerWaalsContact C-N 3.29Å; R314-T316 PolarHBondContact O-N 2.95Å; T316-S320 WeakPolarHBondContact O-CB 3.47Å; T316-S320 PolarHBondContact O-N 3.12Å; T316-S320 VanDerWaalsContact O-N 3.1Å; T316-S320 PolarHBondContact O-OG 2.86Å; T316-V322 CarbonylContact C-O 3.04Å; T316-V322 HydrophobicContact CG2-CB 4.12Å; T316-V322 HydrophobicContact CG2-CG1 4.39Å; T316-V322 WeakPolarHBondContact CG2-O 3.37Å; T316-V324 HydrophobicContact CG2-CG2 3.68Å
317E98.2Very high97.6Very high92 Ų9242 Ų4243%0.4322%0.218SC..Hα-helixtrans-69.5-38.9180-174.3167.1-164.800111.8R313 R314 G321 V322 K323R313-E317 PolarHBondContact O-N 2.91Å; R314-E317 PolarHBondContact O-N 3.27Å; R314-E317 VanDerWaalsContact O-N 3.09Å; E317-G321 WeakPolarHBondContact O-CA 3.14Å; E317-G321 PolarHBondContact O-N 3.39Å; E317-V322 WeakPolarHBondContact CA-O 3.49Å; E317-V322 PolarHBondContact N-O 3.48Å; E317-K323 WeakPolarHBondContact OE1-CE 3.37Å; E317-K323 IonicContact OE1-NZ 3.7Å
318E97.4Very high97.4Very high90 Ų9044.4 Ų44.442%0.42123%0.225SC..Hα-helixtrans-64.9-53.5177.4-74173.6170.100111.9R314R314-E318 WeakPolarHBondContact CD-OE1 3.37Å; R314-E318 VanDerWaalsContact CG-CD 3.41Å; R314-E318 HydrophobicContact CG-CG 4.18Å; R314-E318 WeakPolarHBondContact CG-OE1 3.47Å; R314-E318 IonicContact CZ-OE2 3.21Å; R314-E318 IonicContact NH1-OE2 2.87Å; R314-E318 PolarHBondContact NH1-OE2 3.49Å; R314-E318 WeakPolarHBondContact O-CB 3.42Å; R314-E318 WeakPolarHBondContact O-CG 3.24Å; R314-E318 PolarHBondContact O-N 3.03Å
319E96.9Very high97.2Very high1 Ų147 Ų471%0.00523%0.232CC..Hα-helixtrans-74.6-32.2-174.7-70.1-166145.900112.6K287 L298 E315 D357 E360 I361K287-E319 WeakPolarHBondContact CE-OE1 3.27Å; K287-E319 IonicContact NZ-OE1 3.15Å; K287-E319 PolarHBondContact NZ-OE1 3.37Å; L298-E319 WeakPolarHBondContact CB-OE2 3.48Å; L298-E319 HydrophobicContact CD1-CB 4.48Å; L298-E319 WeakPolarHBondContact CD2-OE2 3.44Å; E315-E319 WeakPolarHBondContact O-CB 3.43Å; E315-E319 PolarHBondContact O-N 2.88Å; E319-D357 PolarHBondContact O-N 3.34Å; E319-E360 HydrophobicContact CG-CB 4.31Å; E319-I361 HydrophobicContact CB-CD1 4.16Å; E319-I361 HydrophobicContact CB-CG2 4.3Å; E319-I361 HydrophobicContact CG-CG2 4.25Å; E319-I361 WeakPolarHBondContact O-CD1 3.47Å
320S97.4Very high96.9Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-127.6-9.6-168.878.30000116.4L283 T316 V322 I354 K355L283-S320 WeakPolarHBondContact CD2-OG 3.22Å; T316-S320 WeakPolarHBondContact O-CB 3.47Å; T316-S320 PolarHBondContact O-N 3.12Å; T316-S320 VanDerWaalsContact O-N 3.1Å; T316-S320 PolarHBondContact O-OG 2.86Å; S320-V322 PolarHBondContact O-N 3.33Å; S320-V322 WeakPolarHBondContact OG-CB 3.44Å; S320-V322 PolarHBondContact OG-N 3.36Å; S320-I354 CarbonylContact O-C 3.57Å; S320-I354 WeakPolarHBondContact O-CA 3.15Å; S320-K355 CarbonylContact C-O 3.57Å; S320-K355 CarbonylContact O-C 3.08Å; S320-K355 PolarHBondContact O-N 3.31Å
321G97.4Very high96.6Very high25 Ų2541.1 Ų41.126%0.25821%0.208SC..  trans72.6-3.6-173.100000115E317 K355E317-G321 WeakPolarHBondContact O-CA 3.14Å; E317-G321 PolarHBondContact O-N 3.39Å; G321-K355 PolarHBondContact N-O 3.19Å
322V98.3Very high96.4Very high0 Ų042.8 Ų42.80%022%0.219CC..  trans-81129.5-178.9175.10000110.3L283 T316 E317 S320 A349 I354 W366L283-V322 HydrophobicContact CD2-CB 4.14Å; L283-V322 HydrophobicContact CD2-CG2 4.03Å; T316-V322 CarbonylContact C-O 3.04Å; T316-V322 HydrophobicContact CG2-CB 4.12Å; T316-V322 HydrophobicContact CG2-CG1 4.39Å; T316-V322 WeakPolarHBondContact CG2-O 3.37Å; E317-V322 WeakPolarHBondContact CA-O 3.49Å; E317-V322 PolarHBondContact N-O 3.48Å; S320-V322 PolarHBondContact O-N 3.33Å; S320-V322 WeakPolarHBondContact OG-CB 3.44Å; S320-V322 PolarHBondContact OG-N 3.36Å; V322-A349 HydrophobicContact CG1-CB 3.7Å; V322-I354 HydrophobicContact CG2-CG1 3.98Å; V322-W366 HydrophobicContact CG1-CH2 4.12Å; V322-W366 HydrophobicContact CG1-CZ2 3.9Å; V322-W366 HydrophobicContact CG2-CZ2 3.93Å
323K98.3Very high96.3Very high106 Ų10642.9 Ų42.946%0.46122%0.22SC..  trans-87.7139.3176.1-67.2-177.3174-177.30110.4E317 A349 V350 S351E317-K323 WeakPolarHBondContact OE1-CE 3.37Å; E317-K323 IonicContact OE1-NZ 3.7Å; K323-A349 CarbonylContact O-C 3.58Å; K323-A349 WeakPolarHBondContact O-CA 3.38Å; K323-V350 HydrophobicContact CB-CG2 3.69Å; K323-V350 WeakPolarHBondContact O-CG2 3.47Å; K323-V350 PolarHBondContact O-N 2.97Å; K323-S351 PolarHBondContact N-OG 3.36Å
324V97.4Very high96.1Very high12 Ų1241.9 Ų41.97%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-118.2139.1-178.8169.90000110.7V274 R313 T316 V327 A347V274-V324 HydrophobicContact CG1-CG2 3.82Å; V274-V324 HydrophobicContact CG2-CG2 4.26Å; R313-V324 WeakPolarHBondContact CD-O 3.16Å; R313-V324 HydrophobicContact CG-CB 4.11Å; R313-V324 HydrophobicContact CG-CG1 4.21Å; T316-V324 HydrophobicContact CG2-CG2 3.68Å; V324-V327 HydrophobicContact CG1-CG2 3.89Å; V324-A347 HydrophobicContact CG1-CB 3.48Å; V324-A347 VanDerWaalsContact CG1-CB 3.48Å; V324-A347 HydrophobicContact CG2-CB 4.2Å
325G94.8Very high96Very high20 Ų2042 Ų4221%0.20622%0.222CC..EExtended strand (participates in β ladder)trans-99.1-104.4174.700000111.6R313 V348R313-G325 PolarHBondContact NE-O 3.32Å; R313-G325 PolarHBondContact NH2-O 2.91Å; G325-V348 PolarHBondContact N-O 2.87Å
326P93.5Very high95.8Very high86 Ų8641.3 Ų41.356%0.55822%0.218SC*.EExtended strand (participates in β ladder)trans-58.8138.6176.8-24.133.3000113.5A347 V348P326-A347 WeakPolarHBondContact O-CA 3.38Å; P326-V348 PolarHBondContact O-N 3.49Å
327V95.9Very high95.5Very high23 Ų2342.8 Ų42.814%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-128.1134.4174.3-178.80000108.4E309 V312 R313 V324 C345 L346E309-V327 HydrophobicContact CB-CB 4.03Å; E309-V327 HydrophobicContact CB-CG1 4.38Å; E309-V327 HydrophobicContact CB-CG2 4.33Å; E309-V327 HydrophobicContact CG-CB 3.88Å; E309-V327 HydrophobicContact CG-CG1 4.1Å; V312-V327 HydrophobicContact CB-CG1 4.03Å; V312-V327 HydrophobicContact CB-CG2 4.13Å; V312-V327 HydrophobicContact CG1-CB 4.48Å; V312-V327 HydrophobicContact CG1-CG1 3.91Å; V312-V327 HydrophobicContact CG1-CG2 3.68Å; V312-V327 HydrophobicContact CG2-CG1 4.01Å; R313-V327 HydrophobicContact CG-CG2 4.43Å; V324-V327 HydrophobicContact CG1-CG2 3.89Å; V327-C345 HydrophobicContact CG1-CB 3.94Å; V327-L346 CarbonylContact C-O 3.57Å; V327-L346 WeakPolarHBondContact CA-O 3.42Å
328Q93.8Very high95Very high122 Ų12239.9 Ų39.957%0.5722%0.215SC*.EExtended strand (participates in β ladder)trans-130.3120.5-177.9176.662.563.900109.6C345 L346Q328-C345 CarbonylContact O-C 3.48Å; Q328-C345 VanDerWaalsContact O-CA 3.3Å; Q328-C345 WeakPolarHBondContact O-CA 3.48Å; Q328-L346 PolarHBondContact N-O 3.43Å; Q328-L346 PolarHBondContact O-N 3.14Å
329Y95.1Very high94.8Very high112 Ų11236 Ų3644%0.43920%0.198SC..EExtended strand (participates in β ladder)trans-63.2139.7170169.2-103.2000111.3S331 C332 I343Y329-S331 VanDerWaalsContact CE2-C 3.45Å; Y329-S331 WeakPolarHBondContact CE2-O 3.16Å; Y329-S331 WeakPolarHBondContact OH-CA 3.2Å; Y329-C332 VanDerWaalsContact CE2-SG 3.51Å; Y329-C332 PolarHBondContact OH-N 3.46Å; Y329-I343 HydrophobicContact CD2-CG2 3.96Å; Y329-I343 HydrophobicContact CE2-CG2 4.13Å
330V90.9Very high94.8Very high43 Ų4337.2 Ų37.226%0.26120%0.204SC..EExtended strand (participates in β ladder)trans-114.9-62.7176.8-177.60000111G344 L346 L396V330-G344 PolarHBondContact N-O 2.87Å; V330-L346 HydrophobicContact CG2-CD1 4.2Å; V330-L346 HydrophobicContact CG2-CG 3.7Å; V330-L396 HydrophobicContact CB-CD2 3.84Å; V330-L396 HydrophobicContact CG1-CD2 4.13Å; V330-L396 HydrophobicContact CG2-CD2 3.82Å
331S92.9Very high94.8Very high10 Ų1039.8 Ų39.87%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-161.1167.4-173.163.40000111.1N66 Y329 G344N66-S331 VanDerWaalsContact ND2-CB 3.28Å; N66-S331 WeakPolarHBondContact ND2-CB 3.21Å; N66-S331 PolarHBondContact ND2-OG 2.98Å; Y329-S331 VanDerWaalsContact CE2-C 3.45Å; Y329-S331 WeakPolarHBondContact CE2-O 3.16Å; Y329-S331 WeakPolarHBondContact OH-CA 3.2Å; S331-G344 WeakPolarHBondContact O-CA 3.36Å; S331-G344 PolarHBondContact O-N 3.3Å
332C94Very high94.8Very high36 Ų3639.6 Ų39.624%0.24321%0.21CC..EExtended strand (participates in β ladder)trans-120.7151.8176.1-77.20000111.3N66 Y329 L341 M342N66-C332 WeakPolarHBondContact CB-O 3.25Å; N66-C332 VanDerWaalsContact ND2-C 3.35Å; N66-C332 PolarHBondContact ND2-O 3.26Å; Y329-C332 VanDerWaalsContact CE2-SG 3.51Å; Y329-C332 PolarHBondContact OH-N 3.46Å; C332-L341 HydrophobicContact CB-CD1 4.13Å; C332-M342 CarbonylContact C-O 3.52Å; C332-M342 WeakPolarHBondContact CA-O 3.3Å
333Q95.8Very high94.8Very high2 Ų240.2 Ų40.21%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-136.7117.8175168.6164.171.500109.8N66 Y67 W335 M342 Q390 I392N66-Q333 HydrophobicContact CB-CB 3.83Å; N66-Q333 HydrophobicContact CB-CG 4.35Å; Y67-Q333 WeakPolarHBondContact O-CG 3.27Å; Y67-Q333 PolarHBondContact O-NE2 3.15Å; Q333-W335 PolarHBondContact O-N 3Å; Q333-M342 HydrophobicContact CB-CB 4.28Å; Q333-M342 PolarHBondContact N-O 3.42Å; Q333-M342 WeakPolarHBondContact O-CB 3.48Å; Q333-M342 WeakPolarHBondContact O-CG 3.3Å; Q333-M342 PolarHBondContact O-N 3.37Å; Q333-Q390 PolarHBondContact NE2-O 2.83Å; Q333-I392 HydrophobicContact CB-CB 3.93Å; Q333-I392 HydrophobicContact CB-CD1 3.97Å; Q333-I392 HydrophobicContact CB-CG1 4.44Å; Q333-I392 HydrophobicContact CB-CG2 4.38Å
334P96.2Very high94.8Very high41 Ų4135.2 Ų35.227%0.26619%0.192SC..EExtended strand (participates in β ladder)trans-58.1133.5164.9-22.634.9000109.9F68 S69 A214 L341F68-P334 HydrophobicContact CB-CB 4.29Å; F68-P334 WeakPolarHBondContact CB-O 3.49Å; F68-P334 WeakPolarHBondContact CD2-O 3.46Å; S69-P334 WeakPolarHBondContact OG-CD 3.21Å; A214-P334 HydrophobicContact CB-CB 4.34Å; P334-L341 HydrophobicContact CG-CD1 4.48Å
335W96.2Very high94.8Very high47 Ų4734.7 Ų34.718%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-129.998.3179.2-170.7-105.8000109F68 L203 Q333 M337 N340 M342 T391F68-W335 AromaticContact CD2-CE3 3.93Å; F68-W335 HydrophobicContact CD2-CE3 3.93Å; F68-W335 HydrophobicContact CD2-CZ3 4.16Å; F68-W335 AromaticContact CE2-CE3 3.79Å; F68-W335 HydrophobicContact CE2-CE3 3.79Å; F68-W335 AromaticContact CE2-CZ3 3.69Å; F68-W335 HydrophobicContact CE2-CZ3 3.69Å; L203-W335 HydrophobicContact CD1-CH2 4.4Å; L203-W335 HydrophobicContact CD2-CH2 4.05Å; L203-W335 HydrophobicContact CD2-CZ3 3.93Å; Q333-W335 PolarHBondContact O-N 3Å; W335-M337 HydrophobicContact CD2-CG 4.33Å; W335-M337 HydrophobicContact CG-CG 4.26Å; W335-M337 HydrophobicContact CZ2-CG 4.26Å; W335-M337 PolarHBondContact O-N 2.72Å; W335-N340 HydrophobicContact CB-CB 4.23Å; W335-N340 PolarHBondContact N-O 3.04Å; W335-N340 PolarHBondContact O-N 3.19Å; W335-M342 HydrophobicContact CB-CG 3.51Å; W335-M342 HydrophobicContact CB-SD 3.99Å; W335-M342 HydrophobicContact CG-CG 4.16Å; W335-M342 HydrophobicContact CG-SD 4.3Å; W335-T391 HydrophobicContact CH2-CG2 4.44Å
336P93Very high94.9Very high0 Ų034.4 Ų34.40%018%0.182CC..THydrogen-bonded Turntrans-78.348-168.432.8-37.6000112.7F68 A214 R217 P338F68-P336 HydrophobicContact CD1-CG 4.46Å; F68-P336 HydrophobicContact CE1-CG 4.33Å; F68-P336 HydrophobicContact CZ-CG 4.35Å; A214-P336 HydrophobicContact CB-CB 4.24Å; A214-P336 HydrophobicContact CB-CG 4Å; R217-P336 HydrophobicContact CB-CB 4.31Å; R217-P336 HydrophobicContact CG-CB 4.5Å; R217-P336 PolarHBondContact NH1-O 2.93Å; R217-P336 PolarHBondContact NH2-O 3.37Å; P336-P338 CarbonylContact C-O 3.58Å; P336-P338 WeakPolarHBondContact CA-O 3.42Å; P336-P338 WeakPolarHBondContact O-CA 3.08Å
337M92.1Very high95Very high30 Ų3030.3 Ų30.315%0.14816%0.156CC..THydrogen-bonded Turntrans-123.662.1-177.6-50.6-63.6169.300113.1P198 N199 L202 R217 W335P198-M337 HydrophobicContact CB-CE 4.32Å; P198-M337 HydrophobicContact CB-SD 4.31Å; P198-M337 WeakPolarHBondContact O-CE 3.35Å; N199-M337 WeakPolarHBondContact OD1-CG 3.41Å; N199-M337 PolarHBondContact OD1-SD 2.72Å; L202-M337 HydrophobicContact CD1-CE 3.98Å; R217-M337 PolarHBondContact NH1-SD 3.42Å; R217-M337 PolarHBondContact NH2-SD 3.01Å; W335-M337 HydrophobicContact CD2-CG 4.33Å; W335-M337 HydrophobicContact CG-CG 4.26Å; W335-M337 HydrophobicContact CZ2-CG 4.26Å; W335-M337 PolarHBondContact O-N 2.72Å
338P86.7Confident95.1Very high31 Ų3131.5 Ų31.520%0.20116%0.163CC..THydrogen-bonded Turncis-90.3-29.3-3.733.9-35.5000114.2S218 A221 P336S218-P338 WeakPolarHBondContact CA-O 3.46Å; S218-P338 WeakPolarHBondContact CB-O 3.38Å; S218-P338 PolarHBondContact OG-O 2.88Å; A221-P338 HydrophobicContact CB-CB 3.7Å; P336-P338 CarbonylContact C-O 3.58Å; P336-P338 WeakPolarHBondContact CA-O 3.42Å; P336-P338 WeakPolarHBondContact O-CA 3.08Å
339S94.2Very high95.3Very high9 Ų925.8 Ų25.86%0.06314%0.136CC..THydrogen-bonded Turntrans-15041.3-167.9-56.50000112.8S218 R265 V266 D267S218-S339 PolarHBondContact O-OG 2.85Å; R265-S339 VanDerWaalsContact O-CB 3.23Å; R265-S339 WeakPolarHBondContact O-CB 3.45Å; V266-S339 WeakPolarHBondContact CA-O 3.14Å; D267-S339 PolarHBondContact N-O 3.31Å
340N97.1Very high95.4Very high26 Ų2625 Ų2514%0.13914%0.143CC..EExtended strand (participates in β ladder)trans-87.4145-178.3-59.2-8.6000110.2D267 V269 W335 M342D267-N340 CarbonylContact O-C 3.55Å; D267-N340 VanDerWaalsContact O-CA 3.28Å; D267-N340 WeakPolarHBondContact O-CA 3.24Å; V269-N340 HydrophobicContact CG2-CB 3.96Å; W335-N340 HydrophobicContact CB-CB 4.23Å; W335-N340 PolarHBondContact N-O 3.04Å; W335-N340 PolarHBondContact O-N 3.19Å; N340-M342 HydrophobicContact CB-SD 4.14Å
341L97.8Very high95.7Very high55 Ų5524.5 Ų24.529%0.28814%0.141SC..EExtended strand (participates in β ladder)trans-108.7106.3163.8178.963000107.4V266 D267 V269 C332 P334 I343V266-L341 HydrophobicContact CG1-CB 3.75Å; D267-L341 PolarHBondContact O-N 3.01Å; V269-L341 PolarHBondContact N-O 3.44Å; C332-L341 HydrophobicContact CB-CD1 4.13Å; P334-L341 HydrophobicContact CG-CD1 4.48Å; L341-I343 HydrophobicContact CG-CG1 4.27Å
342M97.8Very high95.9Very high21 Ų2126.9 Ų26.910%0.10316%0.156CC..EExtended strand (participates in β ladder)trans-77.5123.6178.3-49.7-61.1-60.900108.7V269 I271 A299 C332 Q333 W335 N340 I392V269-M342 HydrophobicContact CB-CE 4.2Å; V269-M342 HydrophobicContact CB-SD 3.85Å; V269-M342 HydrophobicContact CG1-CE 3.56Å; V269-M342 HydrophobicContact CG1-SD 3.84Å; V269-M342 HydrophobicContact CG2-SD 4.4Å; V269-M342 CarbonylContact O-C 3.46Å; V269-M342 WeakPolarHBondContact O-CA 3.48Å; I271-M342 HydrophobicContact CB-CE 4.11Å; I271-M342 HydrophobicContact CD1-CE 4.2Å; I271-M342 HydrophobicContact CG2-CB 4.19Å; I271-M342 HydrophobicContact CG2-CE 4.21Å; A299-M342 HydrophobicContact CB-CE 4.43Å; C332-M342 CarbonylContact C-O 3.52Å; C332-M342 WeakPolarHBondContact CA-O 3.3Å; Q333-M342 HydrophobicContact CB-CB 4.28Å; Q333-M342 PolarHBondContact N-O 3.42Å; Q333-M342 WeakPolarHBondContact O-CB 3.48Å; Q333-M342 WeakPolarHBondContact O-CG 3.3Å; Q333-M342 PolarHBondContact O-N 3.37Å; W335-M342 HydrophobicContact CB-CG 3.51Å; W335-M342 HydrophobicContact CB-SD 3.99Å; W335-M342 HydrophobicContact CG-CG 4.16Å; W335-M342 HydrophobicContact CG-SD 4.3Å; N340-M342 HydrophobicContact CB-SD 4.14Å; M342-I392 HydrophobicContact CB-CD1 4.41Å; M342-I392 HydrophobicContact CB-CG2 3.93Å; M342-I392 HydrophobicContact CG-CG2 4.47Å
343I98.2Very high96.1Very high13 Ų1331.6 Ų31.67%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-113.2102.5-175.9-57.2173.8000106.9P268 V269 V270 I271 L308 Y329 L341P268-I343 HydrophobicContact CB-CD1 4.03Å; V269-I343 PolarHBondContact O-N 3.4Å; V270-I343 WeakPolarHBondContact CA-O 3.47Å; I271-I343 PolarHBondContact N-O 3.36Å; L308-I343 HydrophobicContact CD1-CD1 4.38Å; L308-I343 HydrophobicContact CD1-CG2 3.85Å; L308-I343 HydrophobicContact CD2-CD1 3.48Å; L308-I343 VanDerWaalsContact CD2-CD1 3.48Å; L308-I343 HydrophobicContact CD2-CG2 4.27Å; Y329-I343 HydrophobicContact CD2-CG2 3.96Å; Y329-I343 HydrophobicContact CE2-CG2 4.13Å; L341-I343 HydrophobicContact CG-CG1 4.27Å
344G97.6Very high96.2Very high0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-80.4124.2-17400000112.4I271 V330 S331I271-G344 CarbonylContact O-C 3.5Å; I271-G344 WeakPolarHBondContact O-CA 3.48Å; V330-G344 PolarHBondContact N-O 2.87Å; S331-G344 WeakPolarHBondContact O-CA 3.36Å; S331-G344 PolarHBondContact O-N 3.3Å
345C96.9Very high96.1Very high2 Ų240.3 Ų40.31%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-125.9149-179.5-64.70000111.7I271 M272 L273 V312 V327 Q328I271-C345 PolarHBondContact O-N 2.84Å; M272-C345 VanDerWaalsContact CA-O 3.3Å; M272-C345 WeakPolarHBondContact CA-O 3.26Å; M272-C345 HydrophobicContact CB-CB 4.38Å; L273-C345 PolarHBondContact N-O 3.08Å; V312-C345 HydrophobicContact CG2-CB 3.95Å; V327-C345 HydrophobicContact CG1-CB 3.94Å; Q328-C345 CarbonylContact O-C 3.48Å; Q328-C345 VanDerWaalsContact O-CA 3.3Å; Q328-C345 WeakPolarHBondContact O-CA 3.48Å
346L96.8Very high96.1Very high14 Ų1440.1 Ų40.17%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-96.8140.5157.8-64.5178.8000108.8L273 V327 Q328 V330 M403L273-L346 HydrophobicContact CB-CD2 3.92Å; L273-L346 HydrophobicContact CD2-CD2 4.03Å; V327-L346 CarbonylContact C-O 3.57Å; V327-L346 WeakPolarHBondContact CA-O 3.42Å; Q328-L346 PolarHBondContact N-O 3.43Å; Q328-L346 PolarHBondContact O-N 3.14Å; V330-L346 HydrophobicContact CG2-CD1 4.2Å; V330-L346 HydrophobicContact CG2-CG 3.7Å; L346-M403 HydrophobicContact CD1-CE 3.95Å; L346-M403 HydrophobicContact CD1-SD 3.38Å; L346-M403 WeakPolarHBondContact CD1-SD 3.16Å
347A96.4Very high96.1Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-129.9147179.500000109.3L273 V274 I275 V312 V324 P326L273-A347 PolarHBondContact O-N 2.93Å; V274-A347 CarbonylContact C-O 3.54Å; V274-A347 WeakPolarHBondContact CA-O 3.47Å; V274-A347 HydrophobicContact CB-CB 4.41Å; V274-A347 HydrophobicContact CG1-CB 4.42Å; V274-A347 HydrophobicContact CG2-CB 4.04Å; I275-A347 PolarHBondContact N-O 3.19Å; V312-A347 HydrophobicContact CG1-CB 3.96Å; V324-A347 HydrophobicContact CG1-CB 3.48Å; V324-A347 VanDerWaalsContact CG1-CB 3.48Å; V324-A347 HydrophobicContact CG2-CB 4.2Å; P326-A347 WeakPolarHBondContact O-CA 3.38Å
348V97.3Very high96Very high47 Ų4748.1 Ų48.129%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-110.5120172.2-177.90000109G325 P326G325-V348 PolarHBondContact N-O 2.87Å; P326-V348 PolarHBondContact O-N 3.49Å
349A97.9Very high96.1Very high2 Ų253.8 Ų53.82%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-67.5147.6176.400000111.3V274 I275 P277 V322 K323 W366V274-A349 HydrophobicContact CG1-CB 3.75Å; I275-A349 PolarHBondContact O-N 3.22Å; P277-A349 WeakPolarHBondContact CG-O 3.49Å; V322-A349 HydrophobicContact CG1-CB 3.7Å; K323-A349 CarbonylContact O-C 3.58Å; K323-A349 WeakPolarHBondContact O-CA 3.38Å; A349-W366 HydrophobicContact CB-CH2 3.69Å; A349-W366 HydrophobicContact CB-CZ2 4.26Å
350V97.4Very high95.7Very high97 Ų9757.3 Ų57.359%0.58830%0.301SS*.SBendtrans-119.4-2.5173.6-61.40000112.1K323K323-V350 HydrophobicContact CB-CG2 3.69Å; K323-V350 WeakPolarHBondContact O-CG2 3.47Å; K323-V350 PolarHBondContact O-N 2.97Å
351S97.8Very high95.4Very high31 Ų3156.1 Ų56.122%0.21730%0.295CS..  trans-133.5164.4166.170.50000110.3K323K323-S351 PolarHBondContact N-OG 3.36Å
352T97.3Very high95.2Very high61 Ų6158 Ų5837%0.37430%0.302SS..  trans-125-18.7-174.456.90000113.7H276 P277 I354 W366H276-T352 WeakPolarHBondContact NE2-CG2 3.29Å; P277-T352 HydrophobicContact CG-CG2 3.99Å; T352-I354 PolarHBondContact O-N 3.45Å; T352-W366 PolarHBondContact O-NE1 3.47Å
353D97.2Very high95Very high134 Ų13460 Ų6072%0.71731%0.311SS*.  trans-68.3122.5178.7-63.3-36.7000109.9
354I97.6Very high95Very high59 Ų5959.8 Ų59.830%0.30331%0.311SS..  trans-94.6127.5177.6-63.6175.1000108.6L283 S320 V322 T352 V356 A364 W366L283-I354 HydrophobicContact CD1-CD1 3.6Å; L283-I354 HydrophobicContact CD1-CG1 4.17Å; S320-I354 CarbonylContact O-C 3.57Å; S320-I354 WeakPolarHBondContact O-CA 3.15Å; V322-I354 HydrophobicContact CG2-CG1 3.98Å; T352-I354 PolarHBondContact O-N 3.45Å; I354-V356 HydrophobicContact CG2-CG2 3.9Å; I354-A364 HydrophobicContact CG2-CB 4.01Å; I354-W366 HydrophobicContact CD1-CG 4.19Å
355K95.9Very high94.9Very high168 Ų16863.9 Ų63.973%0.7333%0.327SS*.  trans-132.198.9169.4-175.4-173.8175.7-167.90108.4S320 G321S320-K355 CarbonylContact C-O 3.57Å; S320-K355 CarbonylContact O-C 3.08Å; S320-K355 PolarHBondContact O-N 3.31Å; G321-K355 PolarHBondContact N-O 3.19Å
356V95.1Very high95Very high42 Ų4265.7 Ų65.726%0.25533%0.333SS..  trans-70.1135.9-177.4169.40000111.4I354 E358 I361 A364I354-V356 HydrophobicContact CG2-CG2 3.9Å; V356-E358 HydrophobicContact CG1-CG 4.47Å; V356-E358 PolarHBondContact O-N 2.88Å; V356-I361 HydrophobicContact CG1-CD1 4.15Å; V356-I361 HydrophobicContact CG1-CG1 3.53Å; V356-I361 WeakPolarHBondContact CG1-O 3.34Å; V356-I361 HydrophobicContact CG2-CD1 4.33Å; V356-A364 HydrophobicContact CG2-CB 3.86Å
357D92.7Very high94.9Very high54 Ų5465.1 Ų65.129%0.28933%0.33SS..  trans-82.5105.1159.2-171.5-10.4000110.1E319 N359 E360 I361E319-D357 PolarHBondContact O-N 3.34Å; D357-N359 PolarHBondContact O-N 3.42Å; D357-N359 VanDerWaalsContact O-N 3.15Å; D357-N359 VanDerWaalsContact OD1-CB 3.27Å; D357-N359 WeakPolarHBondContact OD1-CB 3.34Å; D357-N359 PolarHBondContact OD1-N 2.87Å; D357-N359 PolarHBondContact OD1-ND2 3.06Å; D357-E360 HydrophobicContact CB-CB 4.46Å; D357-E360 HydrophobicContact CB-CG 4.48Å; D357-E360 PolarHBondContact O-N 3.06Å; D357-I361 PolarHBondContact O-N 3.43Å
358E89.4Confident94.9Very high144 Ų14467.1 Ų67.167%0.67334%0.343SS*.THydrogen-bonded Turntrans-67.3-10.9-177.6-62-174.7-179.600114.3K288 V356 I361K288-E358 PolarHBondContact NZ-O 2.98Å; V356-E358 HydrophobicContact CG1-CG 4.47Å; V356-E358 PolarHBondContact O-N 2.88Å; E358-I361 WeakPolarHBondContact CA-O 3.42Å
359N88.8Confident94.6Very high150 Ų15066.3 Ų66.380%0.80234%0.335SS*.THydrogen-bonded Turntrans-74.2-31.2171.9-59.9-55.6000111.7D357D357-N359 PolarHBondContact O-N 3.42Å; D357-N359 VanDerWaalsContact O-N 3.15Å; D357-N359 VanDerWaalsContact OD1-CB 3.27Å; D357-N359 WeakPolarHBondContact OD1-CB 3.34Å; D357-N359 PolarHBondContact OD1-N 2.87Å; D357-N359 PolarHBondContact OD1-ND2 3.06Å
360E86.8Confident94.2Very high83 Ų8369 Ų6939%0.38835%0.348SS..THydrogen-bonded Turntrans-101.4-55-171.1-71-107.4-176.700111.7K287 E319 D357K287-E360 IonicContact NZ-OE2 3.21Å; E319-E360 HydrophobicContact CG-CB 4.31Å; D357-E360 HydrophobicContact CB-CB 4.46Å; D357-E360 HydrophobicContact CB-CG 4.48Å; D357-E360 PolarHBondContact O-N 3.06Å
361I91.3Very high93.9Very high2 Ų268.1 Ų68.11%0.0134%0.337CS..  trans-124.5152.1-176.771.4172.4000110.4R286 K287 L298 E319 V356 D357 E358 A364R286-I361 WeakPolarHBondContact O-CB 3.25Å; K287-I361 HydrophobicContact CG-CG2 4.13Å; L298-I361 HydrophobicContact CD2-CD1 4.36Å; E319-I361 HydrophobicContact CB-CD1 4.16Å; E319-I361 HydrophobicContact CB-CG2 4.3Å; E319-I361 HydrophobicContact CG-CG2 4.25Å; E319-I361 WeakPolarHBondContact O-CD1 3.47Å; V356-I361 HydrophobicContact CG1-CD1 4.15Å; V356-I361 HydrophobicContact CG1-CG1 3.53Å; V356-I361 WeakPolarHBondContact CG1-O 3.34Å; V356-I361 HydrophobicContact CG2-CD1 4.33Å; D357-I361 PolarHBondContact O-N 3.43Å; E358-I361 WeakPolarHBondContact CA-O 3.42Å; I361-A364 HydrophobicContact CD1-CB 3.73Å
362E92.9Very high93.6Very high93 Ų9366.7 Ų66.744%0.43533%0.327SS..SBendtrans-82.3-37.6178.1-175.2177.5-164.900111.6R286 K288R286-E362 HydrophobicContact CG-CB 4.36Å; R286-E362 IonicContact CZ-OE2 2.87Å; R286-E362 IonicContact NE-OE2 3.14Å; R286-E362 PolarHBondContact NE-OE2 3.16Å; R286-E362 IonicContact NH2-OE2 3.56Å; R286-E362 PolarHBondContact NH2-OE2 2.92Å; R286-E362 PolarHBondContact O-N 3.06Å; K288-E362 HydrophobicContact CG-CB 3.88Å; K288-E362 HydrophobicContact CG-CG 4.19Å
363E94.8Very high93.1Very high64 Ų6464.4 Ų64.430%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-158.7141.4-174.1-172179.1178.300110G285 R286 F295 R365G285-E363 CarbonylContact C-O 3.48Å; G285-E363 VanDerWaalsContact CA-O 3.22Å; G285-E363 WeakPolarHBondContact CA-O 3.32Å; R286-E363 HydrophobicContact CG-CB 3.88Å; R286-E363 PolarHBondContact N-O 2.83Å; F295-E363 HydrophobicContact CE1-CB 4.25Å; F295-E363 HydrophobicContact CE1-CG 4.12Å; F295-E363 HydrophobicContact CZ-CB 4.39Å; F295-E363 HydrophobicContact CZ-CG 4.18Å; F295-E363 WeakPolarHBondContact CZ-OE2 3.26Å; E363-R365 HydrophobicContact CG-CG 4.11Å; E363-R365 WeakPolarHBondContact OE1-CD 3.45Å; E363-R365 IonicContact OE1-CZ 3.71Å; E363-R365 IonicContact OE1-NE 2.8Å; E363-R365 PolarHBondContact OE1-NE 3.4Å; E363-R365 IonicContact OE1-NH1 2.89Å; E363-R365 PolarHBondContact OE1-NH1 2.8Å; E363-R365 IonicContact OE2-NH1 3.99Å
364A96.7Very high92.7Very high8 Ų860.1 Ų60.17%0.06629%0.289CS..EExtended strand (participates in β ladder)trans-129.3139.9166.400000109.9L283 L284 I354 V356 I361L283-A364 HydrophobicContact CD1-CB 4.31Å; L284-A364 WeakPolarHBondContact O-CA 3.46Å; I354-A364 HydrophobicContact CG2-CB 4.01Å; V356-A364 HydrophobicContact CG2-CB 3.86Å; I361-A364 HydrophobicContact CD1-CB 3.73Å
365R96.8Very high92.1Very high86 Ų8657.7 Ų57.733%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-145.6151.7-179.8-66.1-170.3-64.3-149.79.4112.1L284 F295 E363 F367L284-R365 PolarHBondContact N-O 3.37Å; L284-R365 VanDerWaalsContact N-O 3.08Å; L284-R365 PolarHBondContact O-N 2.9Å; F295-R365 VanDerWaalsContact CE2-NH2 3.28Å; F295-R365 VanDerWaalsContact CZ-NH2 3.27Å; E363-R365 HydrophobicContact CG-CG 4.11Å; E363-R365 WeakPolarHBondContact OE1-CD 3.45Å; E363-R365 IonicContact OE1-CZ 3.71Å; E363-R365 IonicContact OE1-NE 2.8Å; E363-R365 PolarHBondContact OE1-NE 3.4Å; E363-R365 IonicContact OE1-NH1 2.89Å; E363-R365 PolarHBondContact OE1-NH1 2.8Å; E363-R365 IonicContact OE2-NH1 3.99Å; R365-F367 HydrophobicContact CB-CD2 4.26Å; R365-F367 HydrophobicContact CB-CE2 3.7Å; R365-F367 HydrophobicContact CB-CZ 4.06Å; R365-F367 WeakPolarHBondContact O-CD2 3.18Å; R365-F367 WeakPolarHBondContact O-CE2 3.41Å
366W97.7Very high91.5Very high40 Ų4051.6 Ų51.615%0.15225%0.253CS..EExtended strand (participates in β ladder)trans-76.4124.7163.1-65.3113.8000109.9V274 H276 Q281 C282 L283 V322 A349 T352 I354V274-W366 HydrophobicContact CG1-CH2 4.15Å; H276-W366 HydrophobicContact CB-CD2 4.41Å; H276-W366 HydrophobicContact CB-CE3 3.74Å; H276-W366 HydrophobicContact CB-CH2 4.23Å; H276-W366 HydrophobicContact CB-CZ3 3.62Å; H276-W366 AromaticContact CD2-CD2 3.65Å; H276-W366 AromaticContact CD2-CE2 3.68Å; H276-W366 AromaticContact CD2-CE3 3.88Å; H276-W366 AromaticContact CD2-CZ2 3.96Å; Q281-W366 HydrophobicContact CB-CB 4.47Å; Q281-W366 HydrophobicContact CB-CE3 4.47Å; C282-W366 WeakPolarHBondContact O-CA 3.43Å; L283-W366 HydrophobicContact CB-CE3 3.9Å; L283-W366 HydrophobicContact CB-CH2 3.94Å; L283-W366 HydrophobicContact CB-CZ3 3.57Å; L283-W366 HydrophobicContact CD1-CD2 4.18Å; L283-W366 HydrophobicContact CD1-CE3 4.37Å; L283-W366 HydrophobicContact CD1-CZ2 4.38Å; V322-W366 HydrophobicContact CG1-CH2 4.12Å; V322-W366 HydrophobicContact CG1-CZ2 3.9Å; V322-W366 HydrophobicContact CG2-CZ2 3.93Å; A349-W366 HydrophobicContact CB-CH2 3.69Å; A349-W366 HydrophobicContact CB-CZ2 4.26Å; T352-W366 PolarHBondContact O-NE1 3.47Å; I354-W366 HydrophobicContact CD1-CG 4.19Å
367F96.1Very high90.8Very high2 Ų255.5 Ų55.51%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-109118.5176.4-69.7-89.8000109.7Q281 C282 L284 F295 R365 V372 F384Q281-F367 CarbonylContact C-O 3.58Å; Q281-F367 VanDerWaalsContact CA-O 3.26Å; Q281-F367 WeakPolarHBondContact CA-O 3.4Å; C282-F367 PolarHBondContact N-O 3.42Å; C282-F367 PolarHBondContact O-N 2.75Å; L284-F367 HydrophobicContact CB-CD2 3.72Å; L284-F367 HydrophobicContact CB-CE2 3.68Å; L284-F367 HydrophobicContact CD1-CD2 3.81Å; L284-F367 HydrophobicContact CD1-CE2 4.24Å; L284-F367 HydrophobicContact CD1-CG 4.19Å; L284-F367 HydrophobicContact CG-CD2 3.91Å; L284-F367 HydrophobicContact CG-CE2 4.34Å; F295-F367 HydrophobicContact CB-CE2 4.33Å; F295-F367 HydrophobicContact CB-CZ 4.22Å; F295-F367 AromaticContact CD1-CE2 3.67Å; F295-F367 HydrophobicContact CD1-CE2 3.67Å; F295-F367 AromaticContact CD1-CZ 3.6Å; F295-F367 HydrophobicContact CD1-CZ 3.6Å; F295-F367 AromaticContact CD2-CZ 3.95Å; F295-F367 HydrophobicContact CD2-CZ 3.95Å; F295-F367 HydrophobicContact CE1-CE2 4.13Å; F295-F367 AromaticContact CE1-CZ 3.85Å; F295-F367 HydrophobicContact CE1-CZ 3.85Å; F295-F367 HydrophobicContact CE2-CZ 4.19Å; F295-F367 HydrophobicContact CG-CE2 4Å; F295-F367 AromaticContact CG-CZ 3.64Å; F295-F367 HydrophobicContact CG-CZ 3.64Å; F295-F367 HydrophobicContact CZ-CZ 4.14Å; R365-F367 HydrophobicContact CB-CD2 4.26Å; R365-F367 HydrophobicContact CB-CE2 3.7Å; R365-F367 HydrophobicContact CB-CZ 4.06Å; R365-F367 WeakPolarHBondContact O-CD2 3.18Å; R365-F367 WeakPolarHBondContact O-CE2 3.41Å; F367-V372 HydrophobicContact CB-CG2 3.75Å; F367-F384 AromaticContact CD1-CD1 3.65Å; F367-F384 HydrophobicContact CD1-CD1 3.65Å; F367-F384 HydrophobicContact CD1-CD2 4.46Å; F367-F384 AromaticContact CD1-CE1 3.44Å; F367-F384 HydrophobicContact CD1-CE1 3.44Å; F367-F384 VanDerWaalsContact CD1-CE1 3.44Å; F367-F384 HydrophobicContact CD1-CE2 4.25Å; F367-F384 HydrophobicContact CD1-CG 4.17Å; F367-F384 AromaticContact CD1-CZ 3.76Å; F367-F384 HydrophobicContact CD1-CZ 3.76Å; F367-F384 HydrophobicContact CE1-CB 4.2Å; F367-F384 AromaticContact CE1-CD1 3.49Å; F367-F384 HydrophobicContact CE1-CD1 3.49Å; F367-F384 VanDerWaalsContact CE1-CD1 3.49Å; F367-F384 HydrophobicContact CE1-CD2 4.07Å; F367-F384 AromaticContact CE1-CE1 3.8Å; F367-F384 HydrophobicContact CE1-CE1 3.8Å; F367-F384 HydrophobicContact CE1-CE2 4.3Å; F367-F384 AromaticContact CE1-CG 3.65Å; F367-F384 HydrophobicContact CE1-CG 3.65Å; F367-F384 HydrophobicContact CE1-CZ 4.19Å; F367-F384 HydrophobicContact CG-CE1 4.29Å; F367-F384 HydrophobicContact CG-CZ 4.21Å; F367-F384 HydrophobicContact CZ-CD2 4.43Å; F367-F384 HydrophobicContact CZ-CG 4.3Å
368P94.9Very high89.7Confident43 Ų4361 Ų6128%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-58.7141.6172.2-23.632.8000111.6Q370 Q371 V372P368-Q370 PolarHBondContact O-N 3.23Å; P368-Q370 VanDerWaalsContact O-N 3.08Å; P368-Q371 HydrophobicContact CB-CG 4.31Å; P368-Q371 HydrophobicContact CG-CG 4.3Å; P368-Q371 WeakPolarHBondContact O-CB 3.42Å; P368-Q371 PolarHBondContact O-N 3.42Å; P368-V372 PolarHBondContact O-N 3.04Å
369R91.3Very high88.5Confident29 Ų2956 Ų5611%0.10927%0.271CS..Hα-helixtrans-48.9-41.9-179.3-177.5171.3-69.9172.6-0.2113.1G279 N280 Q371 V372 I373 W400 M403 S405G279-R369 PolarHBondContact O-NH2 2.59Å; N280-R369 WeakPolarHBondContact O-CB 3.41Å; N280-R369 PolarHBondContact O-N 3.23Å; R369-Q371 VanDerWaalsContact C-N 3.35Å; R369-Q371 PolarHBondContact O-N 3.06Å; R369-V372 PolarHBondContact O-N 3.06Å; R369-I373 HydrophobicContact CG-CD1 3.94Å; R369-I373 HydrophobicContact CG-CG1 4.41Å; R369-I373 WeakPolarHBondContact O-CG1 3.23Å; R369-I373 PolarHBondContact O-N 3.18Å; R369-W400 HydrophobicContact CB-CH2 3.62Å; R369-W400 HydrophobicContact CB-CZ2 4.14Å; R369-W400 HydrophobicContact CB-CZ3 4.25Å; R369-W400 HydrophobicContact CG-CH2 4.04Å; R369-W400 HydrophobicContact CG-CZ3 4.26Å; R369-W400 VanDerWaalsContact NH2-NE1 3.2Å; R369-M403 PolarHBondContact NH1-O 3.49Å; R369-S405 VanDerWaalsContact NH1-N 3.2Å
370Q89.8Confident87Confident60 Ų6057.4 Ų57.428%0.2828%0.278SS..Hα-helixtrans-61.7-40.5178-171.656.743.900112.9P368 V372 I373 D374P368-Q370 PolarHBondContact O-N 3.23Å; P368-Q370 VanDerWaalsContact O-N 3.08Å; Q370-V372 VanDerWaalsContact C-N 3.28Å; Q370-V372 PolarHBondContact O-N 3.24Å; Q370-I373 PolarHBondContact O-N 2.97Å; Q370-D374 PolarHBondContact NE2-OD1 3.44Å; Q370-D374 WeakPolarHBondContact O-CB 3.24Å; Q370-D374 PolarHBondContact O-N 2.86Å
371Q91.3Very high85.7Confident78 Ų7864.6 Ų64.636%0.36430%0.302SS..Hα-helixtrans-65.4-35.6177.5-64.9-174.68.500111.5P368 R369 D374 S375 F384P368-Q371 HydrophobicContact CB-CG 4.31Å; P368-Q371 HydrophobicContact CG-CG 4.3Å; P368-Q371 WeakPolarHBondContact O-CB 3.42Å; P368-Q371 PolarHBondContact O-N 3.42Å; R369-Q371 VanDerWaalsContact C-N 3.35Å; R369-Q371 PolarHBondContact O-N 3.06Å; Q371-D374 PolarHBondContact O-N 3.11Å; Q371-S375 PolarHBondContact O-N 3.36Å; Q371-F384 HydrophobicContact CB-CE1 4.25Å
372V90.8Very high84.6Confident0 Ų066 Ų660%031%0.311CS..Hα-helixtrans-70.8-40.5177.1-1680000111.3F367 P368 R369 Q370 D374 S375 L376 F384 I397 W400 I401F367-V372 HydrophobicContact CB-CG2 3.75Å; P368-V372 PolarHBondContact O-N 3.04Å; R369-V372 PolarHBondContact O-N 3.06Å; Q370-V372 VanDerWaalsContact C-N 3.28Å; Q370-V372 PolarHBondContact O-N 3.24Å; V372-D374 VanDerWaalsContact C-N 3.34Å; V372-S375 PolarHBondContact O-N 2.69Å; V372-L376 PolarHBondContact O-N 2.85Å; V372-F384 HydrophobicContact CB-CZ 4.39Å; V372-F384 HydrophobicContact CG1-CZ 4.49Å; V372-F384 HydrophobicContact CG2-CZ 4.08Å; V372-I397 HydrophobicContact CG1-CG2 3.33Å; V372-W400 HydrophobicContact CB-CZ3 4.16Å; V372-W400 HydrophobicContact CG1-CZ3 4.38Å; V372-W400 HydrophobicContact CG2-CH2 4.5Å; V372-W400 HydrophobicContact CG2-CZ3 3.94Å; V372-I401 HydrophobicContact CB-CD1 4.2Å; V372-I401 HydrophobicContact CG1-CD1 3.77Å
373I87.8Confident83.8Confident14 Ų1467 Ų677%0.07232%0.324CS..Hα-helixtrans-58.7-47.5171.2-69.8169.3000110.1R369 Q370 S375 L376 F377 I401R369-I373 HydrophobicContact CG-CD1 3.94Å; R369-I373 HydrophobicContact CG-CG1 4.41Å; R369-I373 WeakPolarHBondContact O-CG1 3.23Å; R369-I373 PolarHBondContact O-N 3.18Å; Q370-I373 PolarHBondContact O-N 2.97Å; I373-S375 VanDerWaalsContact C-N 3.29Å; I373-S375 PolarHBondContact O-N 2.66Å; I373-L376 PolarHBondContact O-N 3.05Å; I373-L376 VanDerWaalsContact O-N 3.15Å; I373-F377 HydrophobicContact CG2-CD2 3.75Å; I373-F377 HydrophobicContact CG2-CE2 4.07Å; I373-F377 VanDerWaalsContact O-CD2 3.25Å; I373-F377 WeakPolarHBondContact O-CD2 3.46Å; I373-F377 PolarHBondContact O-N 3.28Å; I373-I401 HydrophobicContact CD1-CG2 4.07Å; I373-I401 HydrophobicContact CG1-CD1 4.07Å; I373-I401 HydrophobicContact CG1-CG1 4.28Å; I373-I401 HydrophobicContact CG1-CG2 3.68Å
374D87.6Confident83.4Confident44 Ų4464.1 Ų64.124%0.23531%0.31CS..Hα-helixtrans-61.2-38.7178.6-69.3-24.6000111.4Q370 Q371 V372 R378Q370-D374 PolarHBondContact NE2-OD1 3.44Å; Q370-D374 WeakPolarHBondContact O-CB 3.24Å; Q370-D374 PolarHBondContact O-N 2.86Å; Q371-D374 PolarHBondContact O-N 3.11Å; V372-D374 VanDerWaalsContact C-N 3.34Å; D374-R378 WeakPolarHBondContact O-CA 3.44Å; D374-R378 WeakPolarHBondContact O-CB 3.47Å; D374-R378 PolarHBondContact O-N 3.36Å; D374-R378 IonicContact OD1-CZ 2.7Å; D374-R378 IonicContact OD1-NE 3.28Å; D374-R378 PolarHBondContact OD1-NE 3.44Å
375S86.6Confident83.1Confident8 Ų867.5 Ų67.56%0.05633%0.33CS..Hα-helixtrans-64.2-39.1174.3-171.90000113.1Q371 V372 I373 F384Q371-S375 PolarHBondContact O-N 3.36Å; V372-S375 PolarHBondContact O-N 2.69Å; I373-S375 VanDerWaalsContact C-N 3.29Å; I373-S375 PolarHBondContact O-N 2.66Å; S375-F384 PolarHBondContact OG-O 3.45Å
376L83.2Confident82.8Confident40 Ų4064.1 Ų64.121%0.20932%0.318CS..Hα-helixtrans-67.6-41.8177.6-83.2161.6000113.8V372 I373 I386 H394 I397 I401V372-L376 PolarHBondContact O-N 2.85Å; I373-L376 PolarHBondContact O-N 3.05Å; I373-L376 VanDerWaalsContact O-N 3.15Å; L376-I386 HydrophobicContact CB-CD1 4.36Å; L376-I386 HydrophobicContact CD2-CD1 3.17Å; L376-I386 HydrophobicContact CG-CD1 3.46Å; L376-I386 VanDerWaalsContact CG-CD1 3.46Å; L376-H394 WeakPolarHBondContact CD2-CE1 3.44Å; L376-I397 HydrophobicContact CD1-CG2 4.36Å; L376-I401 HydrophobicContact CD1-CD1 3.1Å; L376-I401 HydrophobicContact CG-CD1 4.47Å
377F79.3Confident82.6Confident123 Ų12362.6 Ų62.654%0.53931%0.313SS..Hα-helixtrans-105.7-22.4-168.5-64.2-71.8000114.4F20 I373F20-F377 HydrophobicContact CB-CE2 4.43Å; F20-F377 HydrophobicContact CD2-CE1 4.42Å; F20-F377 HydrophobicContact CD2-CE2 4.48Å; F20-F377 AromaticContact CD2-CZ 3.92Å; F20-F377 HydrophobicContact CD2-CZ 3.92Å; F20-F377 HydrophobicContact CE2-CZ 4.24Å; F20-F377 HydrophobicContact CG-CE2 4.42Å; F20-F377 HydrophobicContact CG-CZ 4.23Å; I373-F377 HydrophobicContact CG2-CD2 3.75Å; I373-F377 HydrophobicContact CG2-CE2 4.07Å; I373-F377 VanDerWaalsContact O-CD2 3.25Å; I373-F377 WeakPolarHBondContact O-CD2 3.46Å; I373-F377 PolarHBondContact O-N 3.28Å
378R70.1Confident82.3Confident170 Ų17065.6 Ų65.664%0.64233%0.333SS*.Hα-helixtrans-106.5-1.1-174.1-53.1-177.3177-152.9-3114.3D374 D380 R381D374-R378 WeakPolarHBondContact O-CA 3.44Å; D374-R378 WeakPolarHBondContact O-CB 3.47Å; D374-R378 PolarHBondContact O-N 3.36Å; D374-R378 IonicContact OD1-CZ 2.7Å; D374-R378 IonicContact OD1-NE 3.28Å; D374-R378 PolarHBondContact OD1-NE 3.44Å; R378-D380 PolarHBondContact O-N 3.14Å; R378-D380 VanDerWaalsContact O-N 3.16Å; R378-R381 PolarHBondContact O-N 3.39Å
379G64Low82.1Confident40 Ų4070.2 Ų70.241%0.41235%0.345SS..G310 helixtrans50.5-115.1171.200000113.6R381 S382G379-R381 PolarHBondContact O-N 2.9Å; G379-S382 WeakPolarHBondContact O-CB 3.29Å; G379-S382 PolarHBondContact O-N 2.86Å; G379-S382 PolarHBondContact O-OG 3.4Å
380D57.4Low82.1Confident178 Ų17870 Ų7095%0.95235%0.345SS*.G310 helixtrans-60.8-7.1-171.8-80.3-11.2000116.6R378R378-D380 PolarHBondContact O-N 3.14Å; R378-D380 VanDerWaalsContact O-N 3.16Å
381R59.8Low82.3Confident235 Ų23567.9 Ų67.989%0.88734%0.336SS*.G310 helixtrans-104.66.7176.1-66.7-175.5176.3-179.4-0.3113.9R378 G379R378-R381 PolarHBondContact O-N 3.39Å; G379-R381 PolarHBondContact O-N 2.9Å
382S67.1Low82.5Confident30 Ų3064.4 Ų64.421%0.2132%0.32CS..SBendtrans-81.8152.2-17862.20000112.4G379 F384G379-S382 WeakPolarHBondContact O-CB 3.29Å; G379-S382 PolarHBondContact O-N 2.86Å; G379-S382 PolarHBondContact O-OG 3.4Å; S382-F384 WeakPolarHBondContact CB-O 3.33Å; S382-F384 PolarHBondContact O-N 3.17Å; S382-F384 PolarHBondContact OG-O 3.02Å
383V76.8Confident82.7Confident116 Ų11664.6 Ų64.670%0.70332%0.321SS*.SBendtrans-70.4-20.4179.5-178.80000111.6
384F87.4Confident83Confident3 Ų365.1 Ų65.11%0.01332%0.324CS..SBendtrans-155.5158.6179.673.3-77.5000110.3L284 G293 F295 F367 Q371 V372 S375 S382 I386L284-F384 HydrophobicContact CD1-CE2 3.74Å; L284-F384 HydrophobicContact CD1-CZ 4.26Å; G293-F384 WeakPolarHBondContact O-CA 3.5Å; F295-F384 HydrophobicContact CB-CD2 4.03Å; F295-F384 HydrophobicContact CD2-CB 3.91Å; F295-F384 HydrophobicContact CD2-CD2 4.41Å; F295-F384 HydrophobicContact CE2-CB 4.43Å; F367-F384 AromaticContact CD1-CD1 3.65Å; F367-F384 HydrophobicContact CD1-CD1 3.65Å; F367-F384 HydrophobicContact CD1-CD2 4.46Å; F367-F384 AromaticContact CD1-CE1 3.44Å; F367-F384 HydrophobicContact CD1-CE1 3.44Å; F367-F384 VanDerWaalsContact CD1-CE1 3.44Å; F367-F384 HydrophobicContact CD1-CE2 4.25Å; F367-F384 HydrophobicContact CD1-CG 4.17Å; F367-F384 AromaticContact CD1-CZ 3.76Å; F367-F384 HydrophobicContact CD1-CZ 3.76Å; F367-F384 HydrophobicContact CE1-CB 4.2Å; F367-F384 AromaticContact CE1-CD1 3.49Å; F367-F384 HydrophobicContact CE1-CD1 3.49Å; F367-F384 VanDerWaalsContact CE1-CD1 3.49Å; F367-F384 HydrophobicContact CE1-CD2 4.07Å; F367-F384 AromaticContact CE1-CE1 3.8Å; F367-F384 HydrophobicContact CE1-CE1 3.8Å; F367-F384 HydrophobicContact CE1-CE2 4.3Å; F367-F384 AromaticContact CE1-CG 3.65Å; F367-F384 HydrophobicContact CE1-CG 3.65Å; F367-F384 HydrophobicContact CE1-CZ 4.19Å; F367-F384 HydrophobicContact CG-CE1 4.29Å; F367-F384 HydrophobicContact CG-CZ 4.21Å; F367-F384 HydrophobicContact CZ-CD2 4.43Å; F367-F384 HydrophobicContact CZ-CG 4.3Å; Q371-F384 HydrophobicContact CB-CE1 4.25Å; V372-F384 HydrophobicContact CB-CZ 4.39Å; V372-F384 HydrophobicContact CG1-CZ 4.49Å; V372-F384 HydrophobicContact CG2-CZ 4.08Å; S375-F384 PolarHBondContact OG-O 3.45Å; S382-F384 WeakPolarHBondContact CB-O 3.33Å; S382-F384 PolarHBondContact O-N 3.17Å; S382-F384 PolarHBondContact OG-O 3.02Å; F384-I386 HydrophobicContact CD2-CG2 4.2Å; F384-I386 HydrophobicContact CE2-CG2 3.49Å; F384-I386 VanDerWaalsContact CE2-CG2 3.49Å; F384-I386 HydrophobicContact CZ-CG2 4.25Å
385V89.3Confident83.2Confident78 Ų7864.5 Ų64.547%0.47332%0.319SS..BIsolated β-bridgetrans-103.8135.3-179.6-178.50000109.4G293 M294 F295G293-V385 PolarHBondContact O-N 3.24Å; M294-V385 CarbonylContact C-O 3.56Å; M294-V385 VanDerWaalsContact CA-O 3.24Å; M294-V385 WeakPolarHBondContact CA-O 3.35Å; F295-V385 PolarHBondContact N-O 2.87Å
386I91.1Very high83.5Confident16 Ų1664.1 Ų64.18%0.08232%0.317CS..PPolyproline II helixtrans-94.5160.9171.255172.2000111.2L376 F384 I397L376-I386 HydrophobicContact CB-CD1 4.36Å; L376-I386 HydrophobicContact CD2-CD1 3.17Å; L376-I386 HydrophobicContact CG-CD1 3.46Å; L376-I386 VanDerWaalsContact CG-CD1 3.46Å; F384-I386 HydrophobicContact CD2-CG2 4.2Å; F384-I386 HydrophobicContact CE2-CG2 3.49Å; F384-I386 VanDerWaalsContact CE2-CG2 3.49Å; F384-I386 HydrophobicContact CZ-CG2 4.25Å; I386-I397 HydrophobicContact CG2-CD1 4.14Å
387P92.2Very high84Confident8 Ų862.2 Ų62.25%0.05231%0.307CS..PPolyproline II helixtrans-61.5159.4178.4-25.539.1000112.6F295 T391 A393 H394F295-P387 WeakPolarHBondContact O-CD 3.43Å; P387-T391 HydrophobicContact CB-CG2 4.27Å; P387-T391 VanDerWaalsContact CB-OG1 3.27Å; P387-T391 WeakPolarHBondContact CB-OG1 3.34Å; P387-A393 HydrophobicContact CB-CB 4.4Å; P387-A393 HydrophobicContact CG-CB 4Å; P387-H394 PolarHBondContact O-ND1 3.48Å
388P90.9Very high84.4Confident64 Ų6461.8 Ų61.842%0.41630%0.302SS..PPolyproline II helixtrans-56.3152.2178-24.433.5000113.1L203 Q390 T391 H394L203-P388 HydrophobicContact CD1-CB 4.35Å; L203-P388 HydrophobicContact CD1-CG 4.32Å; P388-Q390 PolarHBondContact O-N 3.28Å; P388-T391 HydrophobicContact CB-CG2 4.5Å; P388-T391 WeakPolarHBondContact O-CB 3.44Å; P388-T391 PolarHBondContact O-N 3.14Å; P388-T391 PolarHBondContact O-OG1 3.07Å; P388-H394 VanDerWaalsContact O-CB 3.27Å; P388-H394 WeakPolarHBondContact O-CB 3.39Å
389R90.9Very high85.3Confident140 Ų14056 Ų5653%0.52828%0.281SS..THydrogen-bonded Turntrans-57.6-22.1-176.266.5176.3174.1176.6-3.4115.3T391 Q395R389-T391 VanDerWaalsContact C-N 3.28Å; R389-T391 PolarHBondContact O-N 2.91Å; R389-Q395 PolarHBondContact O-NE2 3.06Å
390Q91.4Very high86.4Confident24 Ų2454.1 Ų54.111%0.11226%0.262CS..THydrogen-bonded Turntrans-73.2-21.3178-63.684.4-18.400112.7Y67 L203 Q333 P388Y67-Q390 VanDerWaalsContact CB-O 3.24Å; Y67-Q390 WeakPolarHBondContact CB-O 3.43Å; Y67-Q390 HydrophobicContact CD1-CB 4.05Å; Y67-Q390 HydrophobicContact CD1-CG 4.39Å; Y67-Q390 HydrophobicContact CD2-CB 4.06Å; Y67-Q390 HydrophobicContact CD2-CG 3.77Å; Y67-Q390 HydrophobicContact CE1-CG 4.49Å; Y67-Q390 HydrophobicContact CE2-CG 3.91Å; Y67-Q390 HydrophobicContact CG-CB 3.79Å; Y67-Q390 HydrophobicContact CG-CG 4.02Å; L203-Q390 HydrophobicContact CB-CB 4.3Å; L203-Q390 HydrophobicContact CB-CG 4.17Å; L203-Q390 HydrophobicContact CD2-CB 3.95Å; L203-Q390 HydrophobicContact CG-CB 4.48Å; L203-Q390 PolarHBondContact O-NE2 2.89Å; Q333-Q390 PolarHBondContact NE2-O 2.83Å; P388-Q390 PolarHBondContact O-N 3.28Å
391T93.8Very high87.7Confident17 Ų1746.7 Ų46.710%0.10422%0.222CC..SBendtrans-81.8145-174.866.90000111.5L203 W335 P387 P388 R389 A393 H394 Q395L203-T391 HydrophobicContact CD1-CG2 4.27Å; W335-T391 HydrophobicContact CH2-CG2 4.44Å; P387-T391 HydrophobicContact CB-CG2 4.27Å; P387-T391 VanDerWaalsContact CB-OG1 3.27Å; P387-T391 WeakPolarHBondContact CB-OG1 3.34Å; P388-T391 HydrophobicContact CB-CG2 4.5Å; P388-T391 WeakPolarHBondContact O-CB 3.44Å; P388-T391 PolarHBondContact O-N 3.14Å; P388-T391 PolarHBondContact O-OG1 3.07Å; R389-T391 VanDerWaalsContact C-N 3.28Å; R389-T391 PolarHBondContact O-N 2.91Å; T391-A393 PolarHBondContact O-N 3.19Å; T391-H394 WeakPolarHBondContact O-CB 3.43Å; T391-H394 PolarHBondContact O-N 3.1Å; T391-H394 VanDerWaalsContact O-N 3.11Å; T391-H394 PolarHBondContact OG1-N 3.4Å; T391-Q395 PolarHBondContact O-N 3.4Å; T391-Q395 VanDerWaalsContact O-N 3.14Å
392I94.4Very high88.6Confident4 Ų439.2 Ų39.22%0.02121%0.205CC..Hα-helixtrans-61-32.2175.8-169169.4000112.1I271 Q333 M342 H394 Q395 L396I271-I392 HydrophobicContact CD1-CG2 4.02Å; I271-I392 HydrophobicContact CG2-CD1 4.19Å; I271-I392 HydrophobicContact CG2-CG1 4.45Å; I271-I392 HydrophobicContact CG2-CG2 3.67Å; Q333-I392 HydrophobicContact CB-CB 3.93Å; Q333-I392 HydrophobicContact CB-CD1 3.97Å; Q333-I392 HydrophobicContact CB-CG1 4.44Å; Q333-I392 HydrophobicContact CB-CG2 4.38Å; M342-I392 HydrophobicContact CB-CD1 4.41Å; M342-I392 HydrophobicContact CB-CG2 3.93Å; M342-I392 HydrophobicContact CG-CG2 4.47Å; I392-H394 VanDerWaalsContact C-N 3.33Å; I392-H394 PolarHBondContact O-N 3.28Å; I392-Q395 PolarHBondContact O-N 3.02Å; I392-Q395 VanDerWaalsContact O-N 3.14Å; I392-L396 HydrophobicContact CG1-CD1 4.5Å; I392-L396 HydrophobicContact CG1-CG 4.37Å; I392-L396 WeakPolarHBondContact O-CG 3.28Å; I392-L396 PolarHBondContact O-N 2.97Å
393A95.5Very high89.1Confident4 Ų440.3 Ų40.33%0.03321%0.207CC..Hα-helixtrans-57.2-46.7173.300000111.6I271 S296 C297 P387 T391 Q395 L396 I397I271-A393 HydrophobicContact CD1-CB 3.86Å; S296-A393 WeakPolarHBondContact OG-CB 3.44Å; C297-A393 HydrophobicContact CB-CB 4.27Å; P387-A393 HydrophobicContact CB-CB 4.4Å; P387-A393 HydrophobicContact CG-CB 4Å; T391-A393 PolarHBondContact O-N 3.19Å; A393-Q395 VanDerWaalsContact C-N 3.34Å; A393-Q395 PolarHBondContact O-N 3.39Å; A393-L396 PolarHBondContact O-N 3.18Å; A393-I397 WeakPolarHBondContact O-CD1 3.32Å; A393-I397 VanDerWaalsContact O-CG1 3.25Å; A393-I397 WeakPolarHBondContact O-CG1 3.48Å; A393-I397 PolarHBondContact O-N 3.38Å
394H94.2Very high88.6Confident25 Ų2536.9 Ų36.912%0.11619%0.185CC..Hα-helixtrans-62.8-41.9175.4-173.4111.5000111.7L376 P387 P388 T391 I392 I397 R398L376-H394 WeakPolarHBondContact CD2-CE1 3.44Å; P387-H394 PolarHBondContact O-ND1 3.48Å; P388-H394 VanDerWaalsContact O-CB 3.27Å; P388-H394 WeakPolarHBondContact O-CB 3.39Å; T391-H394 WeakPolarHBondContact O-CB 3.43Å; T391-H394 PolarHBondContact O-N 3.1Å; T391-H394 VanDerWaalsContact O-N 3.11Å; T391-H394 PolarHBondContact OG1-N 3.4Å; I392-H394 VanDerWaalsContact C-N 3.33Å; I392-H394 PolarHBondContact O-N 3.28Å; H394-I397 PolarHBondContact O-N 3.4Å; H394-R398 VanDerWaalsContact O-CB 3.3Å; H394-R398 WeakPolarHBondContact O-CB 3.26Å; H394-R398 PolarHBondContact O-N 3.11Å
395Q92.3Very high87.3Confident32 Ų3237.7 Ų37.715%0.1519%0.191CC..Hα-helixtrans-64.3-41178.5-63.1-58-31.900112.1R389 T391 I392 A393 R398 H399R389-Q395 PolarHBondContact O-NE2 3.06Å; T391-Q395 PolarHBondContact O-N 3.4Å; T391-Q395 VanDerWaalsContact O-N 3.14Å; I392-Q395 PolarHBondContact O-N 3.02Å; I392-Q395 VanDerWaalsContact O-N 3.14Å; A393-Q395 VanDerWaalsContact C-N 3.34Å; A393-Q395 PolarHBondContact O-N 3.39Å; Q395-R398 PolarHBondContact O-N 2.99Å; Q395-H399 WeakPolarHBondContact O-CB 3.2Å; Q395-H399 PolarHBondContact O-N 3.4Å
396L92.9Very high85.3Confident0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-62.9-45.8174.9-68.9173.6000111.7I271 L273 V330 I392 A393 H399 W400I271-L396 HydrophobicContact CG1-CD1 4.4Å; I271-L396 HydrophobicContact CG2-CD1 4.33Å; I271-L396 WeakPolarHBondContact O-CD1 3.48Å; L273-L396 HydrophobicContact CB-CB 4.16Å; V330-L396 HydrophobicContact CB-CD2 3.84Å; V330-L396 HydrophobicContact CG1-CD2 4.13Å; V330-L396 HydrophobicContact CG2-CD2 3.82Å; I392-L396 HydrophobicContact CG1-CD1 4.5Å; I392-L396 HydrophobicContact CG1-CG 4.37Å; I392-L396 WeakPolarHBondContact O-CG 3.28Å; I392-L396 PolarHBondContact O-N 2.97Å; A393-L396 PolarHBondContact O-N 3.18Å; L396-H399 PolarHBondContact O-N 2.89Å; L396-W400 PolarHBondContact O-N 3.14Å
397I92.3Very high83.1Confident0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-59.1-49.9176.5-70.6166.3000110.7L273 L284 V372 L376 I386 A393 H394 H399 W400 I401L273-I397 HydrophobicContact CD1-CG1 3.75Å; L284-I397 HydrophobicContact CD1-CD1 4.44Å; L284-I397 HydrophobicContact CD2-CD1 3.92Å; L284-I397 HydrophobicContact CD2-CG1 4.18Å; V372-I397 HydrophobicContact CG1-CG2 3.33Å; L376-I397 HydrophobicContact CD1-CG2 4.36Å; I386-I397 HydrophobicContact CG2-CD1 4.14Å; A393-I397 WeakPolarHBondContact O-CD1 3.32Å; A393-I397 VanDerWaalsContact O-CG1 3.25Å; A393-I397 WeakPolarHBondContact O-CG1 3.48Å; A393-I397 PolarHBondContact O-N 3.38Å; H394-I397 PolarHBondContact O-N 3.4Å; I397-H399 VanDerWaalsContact C-N 3.31Å; I397-H399 PolarHBondContact O-N 3.45Å; I397-W400 PolarHBondContact O-N 2.63Å; I397-I401 HydrophobicContact CG2-CD1 4.21Å; I397-I401 WeakPolarHBondContact O-CG1 3.25Å; I397-I401 PolarHBondContact O-N 3.5Å
398R89.3Confident82.6Confident114 Ų11448.4 Ų48.443%0.4324%0.244SC..Hα-helixtrans-60.2-43.2177.6-179.2-178.5172.1-158.5-3.4111H394 Q395 I401 C402H394-R398 VanDerWaalsContact O-CB 3.3Å; H394-R398 WeakPolarHBondContact O-CB 3.26Å; H394-R398 PolarHBondContact O-N 3.11Å; Q395-R398 PolarHBondContact O-N 2.99Å; R398-I401 PolarHBondContact O-N 3.05Å; R398-C402 PolarHBondContact O-N 3.29Å; R398-C402 PolarHBondContact O-SG 3.26Å
399H87.7Confident82.2Confident47 Ų4747.5 Ų47.522%0.21824%0.235CC..Hα-helixtrans-60.9-46.4179.3-178.758.9000111.6C52 Q395 L396 I397 I401 C402 M403C52-H399 PolarHBondContact SG-CE1 3.27Å; Q395-H399 WeakPolarHBondContact O-CB 3.2Å; Q395-H399 PolarHBondContact O-N 3.4Å; L396-H399 PolarHBondContact O-N 2.89Å; I397-H399 VanDerWaalsContact C-N 3.31Å; I397-H399 PolarHBondContact O-N 3.45Å; H399-I401 VanDerWaalsContact C-N 3.33Å; H399-I401 PolarHBondContact O-N 2.91Å; H399-C402 WeakPolarHBondContact O-CB 3.47Å; H399-C402 PolarHBondContact O-N 3.35Å; H399-C402 VanDerWaalsContact O-N 3.12Å; H399-M403 PolarHBondContact O-N 3.16Å
400W87.8Confident81.7Confident1 Ų142.4 Ų42.40%0.00422%0.218CC..Hα-helixtrans-62-36.2177.3167.271.2000113.9L273 C282 R369 V372 L396 I397 C402 M403L273-W400 HydrophobicContact CD2-CB 3.2Å; L273-W400 HydrophobicContact CD2-CD2 4.02Å; L273-W400 HydrophobicContact CD2-CE3 4.27Å; L273-W400 HydrophobicContact CD2-CG 3.58Å; C282-W400 HydrophobicContact CB-CD2 4.31Å; C282-W400 HydrophobicContact CB-CE3 4.18Å; C282-W400 HydrophobicContact CB-CH2 3.85Å; C282-W400 HydrophobicContact CB-CZ2 4.01Å; C282-W400 HydrophobicContact CB-CZ3 3.96Å; C282-W400 VanDerWaalsContact SG-CZ3 3.53Å; R369-W400 HydrophobicContact CB-CH2 3.62Å; R369-W400 HydrophobicContact CB-CZ2 4.14Å; R369-W400 HydrophobicContact CB-CZ3 4.25Å; R369-W400 HydrophobicContact CG-CH2 4.04Å; R369-W400 HydrophobicContact CG-CZ3 4.26Å; R369-W400 VanDerWaalsContact NH2-NE1 3.2Å; V372-W400 HydrophobicContact CB-CZ3 4.16Å; V372-W400 HydrophobicContact CG1-CZ3 4.38Å; V372-W400 HydrophobicContact CG2-CH2 4.5Å; V372-W400 HydrophobicContact CG2-CZ3 3.94Å; L396-W400 PolarHBondContact O-N 3.14Å; I397-W400 PolarHBondContact O-N 2.63Å; W400-C402 PolarHBondContact O-N 3.37Å; W400-M403 VanDerWaalsContact O-CB 3.3Å; W400-M403 WeakPolarHBondContact O-CB 3.49Å; W400-M403 PolarHBondContact O-N 3.03Å
401I84.9Confident81.2Confident22 Ų2243.5 Ų43.511%0.11323%0.225CC..Hα-helixtrans-65.8-31.2176.6-71.4166.7000111.7V372 I373 L376 I397 R398 H399 M403V372-I401 HydrophobicContact CB-CD1 4.2Å; V372-I401 HydrophobicContact CG1-CD1 3.77Å; I373-I401 HydrophobicContact CD1-CG2 4.07Å; I373-I401 HydrophobicContact CG1-CD1 4.07Å; I373-I401 HydrophobicContact CG1-CG1 4.28Å; I373-I401 HydrophobicContact CG1-CG2 3.68Å; L376-I401 HydrophobicContact CD1-CD1 3.1Å; L376-I401 HydrophobicContact CG-CD1 4.47Å; I397-I401 HydrophobicContact CG2-CD1 4.21Å; I397-I401 WeakPolarHBondContact O-CG1 3.25Å; I397-I401 PolarHBondContact O-N 3.5Å; R398-I401 PolarHBondContact O-N 3.05Å; H399-I401 VanDerWaalsContact C-N 3.33Å; H399-I401 PolarHBondContact O-N 2.91Å; I401-M403 PolarHBondContact O-N 3.47Å
402C79.4Confident80.4Confident78 Ų7845.1 Ų45.153%0.52723%0.232SC..THydrogen-bonded Turntrans-77.7-8.2173.4-62.60000113.2R398 H399 W400R398-C402 PolarHBondContact O-N 3.29Å; R398-C402 PolarHBondContact O-SG 3.26Å; H399-C402 WeakPolarHBondContact O-CB 3.47Å; H399-C402 PolarHBondContact O-N 3.35Å; H399-C402 VanDerWaalsContact O-N 3.12Å; W400-C402 PolarHBondContact O-N 3.37Å
403M75.9Confident79.4Confident53 Ų5347.9 Ų47.926%0.26125%0.246SC..SBendtrans-79.8144.4173.8-62.2173.568.400111.1L346 R369 H399 W400 I401 S405L346-M403 HydrophobicContact CD1-CE 3.95Å; L346-M403 HydrophobicContact CD1-SD 3.38Å; L346-M403 WeakPolarHBondContact CD1-SD 3.16Å; R369-M403 PolarHBondContact NH1-O 3.49Å; H399-M403 PolarHBondContact O-N 3.16Å; W400-M403 VanDerWaalsContact O-CB 3.3Å; W400-M403 WeakPolarHBondContact O-CB 3.49Å; W400-M403 PolarHBondContact O-N 3.03Å; I401-M403 PolarHBondContact O-N 3.47Å; M403-S405 PolarHBondContact O-N 3.01Å
404N66.5Low78.3Confident45 Ų4551 Ų5124%0.24126%0.262CS..  trans-59.1133.4174.1-167.64000110K34 N406K34-N404 PolarHBondContact NZ-ND2 3.44Å; N404-N406 PolarHBondContact O-N 2.97Å; N404-N406 PolarHBondContact OD1-N 3.34Å; N404-N406 PolarHBondContact OD1-ND2 3.19Å
405S60Low77.1Confident20 Ų2053 Ų5314%0.1427%0.273CS..SBendtrans-64.1-26174.634.30000113N280 R369 M403 L407N280-S405 WeakPolarHBondContact OD1-CB 3.28Å; R369-S405 VanDerWaalsContact NH1-N 3.2Å; M403-S405 PolarHBondContact O-N 3.01Å; S405-L407 VanDerWaalsContact C-N 3.31Å; S405-L407 PolarHBondContact O-N 3.48Å
406N48.3Very low75.8Confident118 Ų11854.8 Ų54.863%0.63128%0.283SS*.  trans-81.582.6175.3-56.4-59.6000108.8N404N404-N406 PolarHBondContact O-N 2.97Å; N404-N406 PolarHBondContact OD1-N 3.34Å; N404-N406 PolarHBondContact OD1-ND2 3.19Å
407L44.6Very low74.2Confident159 Ų15959.7 Ų59.783%0.83231%0.309SS*.  trans-75.30165.6-84.8166000110.7I275 S405I275-L407 HydrophobicContact CD1-CD1 4.46Å; I275-L407 HydrophobicContact CG2-CD1 4.04Å; S405-L407 VanDerWaalsContact C-N 3.31Å; S405-L407 PolarHBondContact O-N 3.48Å

Retrieved 407 of 407 residues in 358.5 ms (Link to these results)

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