A0A087XEN4_POEFO Loading...

DNA repair endonuclease XPF

AlphaFold DB , UniProt , Accession A0A087XEN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 761 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
1M43.8Very low73Confident95 Ų9558.6 Ų58.647%0.46830%0.297SS..  0-47.40-96.5-58.7-159.600112.6S3 V42 N45M1-S3 PolarHBondContact N-OG 2.93Å; M1-S3 PolarHBondContact O-N 3.24Å; M1-S3 VanDerWaalsContact O-N 3.12Å; M1-V42 HydrophobicContact CE-CG2 4.25Å; M1-N45 PolarHBondContact O-ND2 2.79Å
2E41.8Very low74Confident79 Ų7957.7 Ų57.737%0.36929%0.292SS..THydrogen-bonded Turntrans-77.413.1172.7-48.5-160.2148.100113.7R11 R44E2-R11 PolarHBondContact O-NH2 2.91Å; E2-R44 IonicContact OE1-CZ 2.84Å; E2-R44 IonicContact OE1-NE 2.69Å; E2-R44 IonicContact OE1-NH2 2.87Å; E2-R44 PolarHBondContact OE1-NH2 2.95Å
3S56.7Low75.1Confident16 Ų1658.8 Ų58.811%0.11229%0.294CS..THydrogen-bonded Turntrans-145.1-1.9-150.749.20000112.8M1 E536M1-S3 PolarHBondContact N-OG 2.93Å; M1-S3 PolarHBondContact O-N 3.24Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-E536 VanDerWaalsContact CB-CG 3.42Å; S3-E536 WeakPolarHBondContact CB-OE1 3.47Å; S3-E536 PolarHBondContact OG-OE1 2.95Å
4C67.8Low75.8Confident59 Ų5954.6 Ų54.640%0.39927%0.273SS..SBendtrans-72.2149.5172.5-570000109.2E6 A7 F8C4-E6 PolarHBondContact O-N 3.31Å; C4-E6 VanDerWaalsContact O-N 3.17Å; C4-A7 WeakPolarHBondContact O-CA 3.28Å; C4-A7 WeakPolarHBondContact O-CB 3.32Å; C4-A7 PolarHBondContact O-N 3.42Å; C4-F8 PolarHBondContact O-N 2.93Å
5Q81.6Confident76.1Confident94 Ų9454.6 Ų54.644%0.43927%0.272SS..Hα-helixtrans-52-42.3-178.8-70.4177.4-24.400112.3A7 F8 I9 F533Q5-A7 VanDerWaalsContact C-N 3.32Å; Q5-A7 PolarHBondContact O-N 2.89Å; Q5-F8 WeakPolarHBondContact O-CB 3.38Å; Q5-F8 PolarHBondContact O-N 3.24Å; Q5-I9 WeakPolarHBondContact O-CG1 3.23Å; Q5-I9 PolarHBondContact O-N 2.7Å; Q5-F533 WeakPolarHBondContact CG-O 3.25Å; Q5-F533 VanDerWaalsContact NE2-C 3.33Å; Q5-F533 PolarHBondContact NE2-O 3.09Å
6E86.1Confident76.5Confident124 Ų12463.2 Ų63.258%0.57931%0.307SS*.Hα-helixtrans-54.6-40.8173.2-57-51.1133.300114C4 F8 I9 L10C4-E6 PolarHBondContact O-N 3.31Å; C4-E6 VanDerWaalsContact O-N 3.17Å; E6-F8 VanDerWaalsContact C-N 3.32Å; E6-F8 PolarHBondContact O-N 3.19Å; E6-I9 PolarHBondContact O-N 2.62Å; E6-L10 WeakPolarHBondContact O-CB 3.49Å; E6-L10 VanDerWaalsContact O-CG 3.25Å; E6-L10 WeakPolarHBondContact O-CG 3.45Å; E6-L10 PolarHBondContact O-N 3.01Å
7A83.1Confident77Confident9 Ų962.4 Ų62.47%0.07431%0.305CS..Hα-helixtrans-69.9-31.7178.900000111.7C4 Q5 R11C4-A7 WeakPolarHBondContact O-CA 3.28Å; C4-A7 WeakPolarHBondContact O-CB 3.32Å; C4-A7 PolarHBondContact O-N 3.42Å; Q5-A7 VanDerWaalsContact C-N 3.32Å; Q5-A7 PolarHBondContact O-N 2.89Å; A7-R11 VanDerWaalsContact O-CB 3.31Å; A7-R11 WeakPolarHBondContact O-CB 3.02Å; A7-R11 PolarHBondContact O-N 3.26Å; A7-R11 VanDerWaalsContact O-N 3.13Å
8F83.9Confident77.3Confident27 Ų2762.3 Ų62.312%0.11830%0.303CS..Hα-helixtrans-72.1-45.1172.8-175.2-123.2000111.5C4 Q5 E6 L10 R11 L12 F533 A539 H542C4-F8 PolarHBondContact O-N 2.93Å; Q5-F8 WeakPolarHBondContact O-CB 3.38Å; Q5-F8 PolarHBondContact O-N 3.24Å; E6-F8 VanDerWaalsContact C-N 3.32Å; E6-F8 PolarHBondContact O-N 3.19Å; F8-L10 PolarHBondContact O-N 2.95Å; F8-R11 PolarHBondContact O-N 3.19Å; F8-L12 HydrophobicContact CD1-CD1 3.95Å; F8-L12 HydrophobicContact CD2-CG 4.47Å; F8-L12 HydrophobicContact CE1-CD1 3.61Å; F8-L12 HydrophobicContact CE1-CG 4.42Å; F8-L12 HydrophobicContact CE2-CD1 4.25Å; F8-L12 HydrophobicContact CE2-CD2 4.41Å; F8-L12 HydrophobicContact CE2-CG 4.19Å; F8-L12 HydrophobicContact CG-CD1 4.41Å; F8-L12 HydrophobicContact CZ-CD1 3.78Å; F8-L12 HydrophobicContact CZ-CD2 4.33Å; F8-L12 HydrophobicContact CZ-CG 4.17Å; F8-L12 WeakPolarHBondContact O-CG 3.4Å; F8-L12 PolarHBondContact O-N 3.5Å; F8-F533 HydrophobicContact CE1-CD1 4.4Å; F8-F533 HydrophobicContact CE1-CE1 4.06Å; F8-A539 HydrophobicContact CB-CB 4.37Å; F8-A539 HydrophobicContact CD2-CB 3.86Å; F8-A539 HydrophobicContact CG-CB 4.3Å; F8-H542 HydrophobicContact CE2-CB 3.73Å; F8-H542 AromaticContact CE2-CG 3.68Å; F8-H542 HydrophobicContact CZ-CB 4.17Å
9I87.9Confident77.7Confident90 Ų9065.3 Ų65.346%0.46233%0.325SS..Hα-helixtrans-57.7-47.4175.2-67.9163.7000110.8Q5 E6 L12 F13Q5-I9 WeakPolarHBondContact O-CG1 3.23Å; Q5-I9 PolarHBondContact O-N 2.7Å; E6-I9 PolarHBondContact O-N 2.62Å; I9-L12 PolarHBondContact O-N 2.98Å; I9-F13 VanDerWaalsContact O-CB 3.28Å; I9-F13 WeakPolarHBondContact O-CB 3.49Å; I9-F13 PolarHBondContact O-N 2.93Å
10L87.6Confident78Confident31 Ų3163 Ų6316%0.16232%0.318CS..Hα-helixtrans-67.5-35.2179.1-69.6171.5000112.7E6 F8 R14 I22 L46 F47E6-L10 WeakPolarHBondContact O-CB 3.49Å; E6-L10 VanDerWaalsContact O-CG 3.25Å; E6-L10 WeakPolarHBondContact O-CG 3.45Å; E6-L10 PolarHBondContact O-N 3.01Å; F8-L10 PolarHBondContact O-N 2.95Å; L10-R14 WeakPolarHBondContact O-CB 3.39Å; L10-R14 PolarHBondContact O-N 2.76Å; L10-I22 HydrophobicContact CD2-CD1 4.16Å; L10-I22 HydrophobicContact CD2-CG1 4.42Å; L10-L46 HydrophobicContact CD1-CD2 3.5Å; L10-F47 HydrophobicContact CB-CD2 4.44Å
11R83.3Confident78.5Confident21 Ų2167 Ų678%0.07933%0.334CS..Hα-helixtrans-64.6-47.8173.2-168.6-176.2-60.6150.76.5111.2E2 A7 F8 R14 Q15 F47 L498 A539E2-R11 PolarHBondContact O-NH2 2.91Å; A7-R11 VanDerWaalsContact O-CB 3.31Å; A7-R11 WeakPolarHBondContact O-CB 3.02Å; A7-R11 PolarHBondContact O-N 3.26Å; A7-R11 VanDerWaalsContact O-N 3.13Å; F8-R11 PolarHBondContact O-N 3.19Å; R11-R14 PolarHBondContact O-N 2.86Å; R11-Q15 WeakPolarHBondContact O-CG 3.33Å; R11-Q15 PolarHBondContact O-N 3.22Å; R11-F47 HydrophobicContact CB-CE2 4.46Å; R11-L498 HydrophobicContact CG-CD2 4.11Å; R11-A539 PolarHBondContact NH1-O 3.21Å; R11-A539 VanDerWaalsContact NH1-O 3.07Å
12L84.4Confident80.7Confident47 Ų4764 Ų6425%0.24632%0.319CS..Hα-helixtrans-60-46.1175-74.2173.8000112F8 I9 R14 Q15 K16 H542F8-L12 HydrophobicContact CD1-CD1 3.95Å; F8-L12 HydrophobicContact CD2-CG 4.47Å; F8-L12 HydrophobicContact CE1-CD1 3.61Å; F8-L12 HydrophobicContact CE1-CG 4.42Å; F8-L12 HydrophobicContact CE2-CD1 4.25Å; F8-L12 HydrophobicContact CE2-CD2 4.41Å; F8-L12 HydrophobicContact CE2-CG 4.19Å; F8-L12 HydrophobicContact CG-CD1 4.41Å; F8-L12 HydrophobicContact CZ-CD1 3.78Å; F8-L12 HydrophobicContact CZ-CD2 4.33Å; F8-L12 HydrophobicContact CZ-CG 4.17Å; F8-L12 WeakPolarHBondContact O-CG 3.4Å; F8-L12 PolarHBondContact O-N 3.5Å; I9-L12 PolarHBondContact O-N 2.98Å; L12-R14 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 3.02Å; L12-K16 PolarHBondContact O-N 3.15Å; L12-H542 VanDerWaalsContact CD2-CE1 3.4Å; L12-H542 WeakPolarHBondContact CD2-CE1 3.45Å; L12-H542 VanDerWaalsContact CD2-NE2 3.35Å; L12-H542 WeakPolarHBondContact CD2-NE2 3.41Å
13F88.4Confident83.1Confident72 Ų7267.2 Ų67.232%0.31633%0.332SS..Hα-helixtrans-57.5-47.5175.6175-100.6000111I9 Q15 K16 N17 I22I9-F13 VanDerWaalsContact O-CB 3.28Å; I9-F13 WeakPolarHBondContact O-CB 3.49Å; I9-F13 PolarHBondContact O-N 2.93Å; F13-Q15 VanDerWaalsContact C-N 3.34Å; F13-Q15 PolarHBondContact O-N 2.95Å; F13-K16 PolarHBondContact O-N 3.47Å; F13-N17 HydrophobicContact CD2-CB 4.34Å; F13-N17 HydrophobicContact CE2-CB 4.15Å; F13-N17 HydrophobicContact CZ-CB 4.37Å; F13-N17 WeakPolarHBondContact O-CA 3.38Å; F13-N17 VanDerWaalsContact O-CB 3.28Å; F13-N17 WeakPolarHBondContact O-CB 3.43Å; F13-N17 PolarHBondContact O-N 3.23Å; F13-I22 HydrophobicContact CD1-CD1 4.47Å; F13-I22 HydrophobicContact CE1-CD1 4.5Å; F13-I22 HydrophobicContact CE1-CG1 4.21Å
14R84.5Confident84.7Confident1 Ų169.4 Ų69.40%0.00435%0.351CS..Hα-helixtrans-77.7-16.5-178-169.155.668.9-149.111.9114.3L10 R11 L12 N17 K18 G20 F47 E489 G490 L498L10-R14 WeakPolarHBondContact O-CB 3.39Å; L10-R14 PolarHBondContact O-N 2.76Å; R11-R14 PolarHBondContact O-N 2.86Å; L12-R14 PolarHBondContact O-N 2.93Å; R14-N17 PolarHBondContact NH1-O 3.04Å; R14-K18 WeakPolarHBondContact O-CD 3.16Å; R14-K18 PolarHBondContact O-NZ 2.79Å; R14-G20 VanDerWaalsContact CZ-O 3.29Å; R14-G20 PolarHBondContact NH1-O 3.09Å; R14-G20 PolarHBondContact NH2-O 2.66Å; R14-F47 HydrophobicContact CG-CG 4.49Å; R14-E489 WeakPolarHBondContact CD-O 3.27Å; R14-E489 PolarHBondContact NE-O 3.18Å; R14-G490 WeakPolarHBondContact CD-O 3.48Å; R14-G490 WeakPolarHBondContact CG-O 3.21Å; R14-L498 HydrophobicContact CB-CD1 4.43Å; R14-L498 HydrophobicContact CB-CD2 4.26Å; R14-L498 HydrophobicContact CG-CD1 3.72Å; R14-L498 HydrophobicContact CG-CD2 4.32Å
15Q80.1Confident85.8Confident54 Ų5475.7 Ų75.725%0.25237%0.372SS..Hα-helixtrans-73.6-49.1165.8-76.7173.8-32.400111.3R11 L12 F13 L498 H542R11-Q15 WeakPolarHBondContact O-CG 3.33Å; R11-Q15 PolarHBondContact O-N 3.22Å; L12-Q15 PolarHBondContact O-N 3.02Å; F13-Q15 VanDerWaalsContact C-N 3.34Å; F13-Q15 PolarHBondContact O-N 2.95Å; Q15-L498 HydrophobicContact CG-CB 4.34Å; Q15-L498 HydrophobicContact CG-CD2 4.23Å; Q15-L498 PolarHBondContact NE2-O 2.8Å; Q15-H542 PolarHBondContact OE1-CE1 3.01Å
16K83.1Confident86.3Confident192 Ų19275.6 Ų75.684%0.83538%0.378SS*.Hα-helixtrans-79.9-26.2-177.9-68.3-176.2177-178.20114.6L12 F13L12-K16 PolarHBondContact O-N 3.15Å; F13-K16 PolarHBondContact O-N 3.47Å
17N85Confident86.3Confident50 Ų5075.4 Ų75.427%0.26738%0.381SS..  trans-129.9118-173.3-175.1-21000111.7F13 R14 T19 G20F13-N17 HydrophobicContact CD2-CB 4.34Å; F13-N17 HydrophobicContact CE2-CB 4.15Å; F13-N17 HydrophobicContact CZ-CB 4.37Å; F13-N17 WeakPolarHBondContact O-CA 3.38Å; F13-N17 VanDerWaalsContact O-CB 3.28Å; F13-N17 WeakPolarHBondContact O-CB 3.43Å; F13-N17 PolarHBondContact O-N 3.23Å; R14-N17 PolarHBondContact NH1-O 3.04Å; N17-T19 PolarHBondContact OD1-N 3.3Å; N17-T19 PolarHBondContact OD1-OG1 2.81Å; N17-T19 VanDerWaalsContact OD1-OG1 3.14Å; N17-G20 PolarHBondContact OD1-N 3.46Å
18K82.4Confident86.4Confident61 Ų6180.5 Ų80.527%0.26540%0.401SS..SBendtrans-99.2-14.9177.4-57.3-47.8-156.6175.30114.6R14 G490 R491 N493R14-K18 WeakPolarHBondContact O-CD 3.16Å; R14-K18 PolarHBondContact O-NZ 2.79Å; K18-G490 PolarHBondContact NZ-O 2.99Å; K18-R491 VanDerWaalsContact CD-O 3.23Å; K18-R491 WeakPolarHBondContact CD-O 3.48Å; K18-R491 WeakPolarHBondContact CE-O 3.49Å; K18-N493 WeakPolarHBondContact CE-OD1 3.2Å
19T84.6Confident86.5Confident119 Ų11979.7 Ų79.773%0.7340%0.4SS*.SBendtrans-94.4-38.8-172.854.40000112.9N17 R491N17-T19 PolarHBondContact OD1-N 3.3Å; N17-T19 PolarHBondContact OD1-OG1 2.81Å; N17-T19 VanDerWaalsContact OD1-OG1 3.14Å; T19-R491 PolarHBondContact O-NH1 2.84Å
20G84.9Confident86.3Confident18 Ų1878.8 Ų78.819%0.18640%0.398CS..  trans-63.3142.2-176.600000113R14 N17R14-G20 VanDerWaalsContact CZ-O 3.29Å; R14-G20 PolarHBondContact NH1-O 3.09Å; R14-G20 PolarHBondContact NH2-O 2.66Å; N17-G20 PolarHBondContact OD1-N 3.46Å
21F87.8Confident86.1Confident148 Ų14880.2 Ų80.265%0.64941%0.411SS*.  trans-92.7159.8178.966.7-93.8000112.1K23F21-K23 HydrophobicContact CD2-CD 4.48Å; F21-K23 HydrophobicContact CD2-CG 3.94Å; F21-K23 HydrophobicContact CE2-CG 3.89Å
22I89.6Confident86.2Confident32 Ų3281.5 Ų81.516%0.16442%0.417CS..  trans-117143.5174.4-64.1163.8000108.6L10 F13 F47 V48L10-I22 HydrophobicContact CD2-CD1 4.16Å; L10-I22 HydrophobicContact CD2-CG1 4.42Å; F13-I22 HydrophobicContact CD1-CD1 4.47Å; F13-I22 HydrophobicContact CE1-CD1 4.5Å; F13-I22 HydrophobicContact CE1-CG1 4.21Å; I22-F47 HydrophobicContact CD1-CB 4.19Å; I22-V48 HydrophobicContact CB-CG1 4.46Å; I22-V48 HydrophobicContact CG2-CG1 4.06Å
23K91.5Very high85.9Confident147 Ų14781.4 Ų81.464%0.63942%0.42SS*.  trans-132.4138.1169.2-62.5-65.1-179.7-1800108.3F21 F25F21-K23 HydrophobicContact CD2-CD 4.48Å; F21-K23 HydrophobicContact CD2-CG 3.94Å; F21-K23 HydrophobicContact CE2-CG 3.89Å; K23-F25 HydrophobicContact CB-CE2 4.05Å
24A90.6Very high85.3Confident61 Ų6181.5 Ų81.550%0.50443%0.43SS..  trans-121.4115.3173.100000108.3L46A24-L46 HydrophobicContact CB-CD1 3.87Å
25F92.4Very high84.6Confident192 Ų19284.4 Ų84.484%0.84246%0.46SS*.  trans-105.5139.2171.4-63.4-71.3000108.4K23K23-F25 HydrophobicContact CB-CE2 4.05Å
26T90.4Very high84.2Confident92 Ų9290.9 Ų90.956%0.56449%0.488SS*.  trans-154.1146.4-177.5-169.60000111F32T26-F32 HydrophobicContact CG2-CE2 3.62Å; T26-F32 HydrophobicContact CG2-CZ 3.86Å
27D86.8Confident83.8Confident119 Ų11984.2 Ų84.264%0.63647%0.465SS*.SBendtrans-106.3-21.3-17860.3-28.6000112.7A29D27-A29 PolarHBondContact O-N 2.79Å
28K85.1Confident83.7Confident116 Ų11682.4 Ų82.450%0.50446%0.455SS..  trans-98.565.7-166.4-71.7162.3-168.884.90112.8T30 S31 F32K28-T30 PolarHBondContact O-N 3.47Å; K28-T30 VanDerWaalsContact O-N 3.16Å; K28-S31 WeakPolarHBondContact O-CB 3.18Å; K28-S31 PolarHBondContact O-N 2.96Å; K28-F32 WeakPolarHBondContact O-CD2 3.34Å
29A86.2Confident84Confident10 Ų1079.9 Ų79.98%0.08344%0.444CS..G310 helixtrans-49.7-40.417900000113.9D27 S31 F32 F472 L475D27-A29 PolarHBondContact O-N 2.79Å; A29-S31 PolarHBondContact O-N 3.29Å; A29-F32 PolarHBondContact O-N 3.11Å; A29-F32 VanDerWaalsContact O-N 3.14Å; A29-F472 HydrophobicContact CB-CD1 4.41Å; A29-F472 HydrophobicContact CB-CD2 4.17Å; A29-F472 HydrophobicContact CB-CE1 4Å; A29-F472 HydrophobicContact CB-CE2 3.73Å; A29-F472 HydrophobicContact CB-CG 4.5Å; A29-F472 HydrophobicContact CB-CZ 3.64Å; A29-L475 HydrophobicContact CB-CD1 4.01Å
30T83.6Confident84Confident71 Ų7177.1 Ų77.144%0.43642%0.423SS..G310 helixtrans-61.9-24.817952.50000114.1K28 F32 C33 A471K28-T30 PolarHBondContact O-N 3.47Å; K28-T30 VanDerWaalsContact O-N 3.16Å; T30-F32 PolarHBondContact O-N 3.49Å; T30-C33 PolarHBondContact O-N 3.07Å; T30-A471 HydrophobicContact CG2-CB 4.02Å
31S83.4Confident84Confident62 Ų6281 Ų8143%0.43443%0.432SS..G310 helixtrans-81.42.1179-55.80000113.8K28 A29 Q38K28-S31 WeakPolarHBondContact O-CB 3.18Å; K28-S31 PolarHBondContact O-N 2.96Å; A29-S31 PolarHBondContact O-N 3.29Å; S31-Q38 VanDerWaalsContact O-CD 3.32Å; S31-Q38 PolarHBondContact O-NE2 3.15Å; S31-Q38 PolarHBondContact O-OE1 2.96Å
32F85.1Confident84Confident48 Ų4875 Ų7521%0.21141%0.407CS..G310 helixtrans-106.5-4.7173.2-68.7-84.9000113.5T26 K28 A29 T30 Q38 V39 V42 L475T26-F32 HydrophobicContact CG2-CE2 3.62Å; T26-F32 HydrophobicContact CG2-CZ 3.86Å; K28-F32 WeakPolarHBondContact O-CD2 3.34Å; A29-F32 PolarHBondContact O-N 3.11Å; A29-F32 VanDerWaalsContact O-N 3.14Å; T30-F32 PolarHBondContact O-N 3.49Å; F32-Q38 PolarHBondContact O-OE1 3.14Å; F32-Q38 VanDerWaalsContact O-OE1 3.11Å; F32-V39 HydrophobicContact CB-CG2 4.01Å; F32-V39 HydrophobicContact CD1-CG2 4.49Å; F32-V42 HydrophobicContact CE1-CB 4.41Å; F32-V42 HydrophobicContact CE1-CG1 4.03Å; F32-L475 HydrophobicContact CB-CD2 3.88Å
33C79.1Confident83.9Confident45 Ų4573.9 Ų73.930%0.30440%0.402SS..SBendtrans-102.410.6177.5-560000112.5T30 G35T30-C33 PolarHBondContact O-N 3.07Å; C33-G35 PolarHBondContact O-N 2.82Å
34S74.3Confident83.6Confident74 Ų7471.2 Ų71.252%0.51739%0.388SS..SBendtrans-92.592.2-178.348.80000111.4Q38S34-Q38 PolarHBondContact O-OE1 2.98Å; S34-Q38 PolarHBondContact OG-NE2 3.2Å; S34-Q38 VanDerWaalsContact OG-NE2 3.12Å; S34-Q38 PolarHBondContact OG-OE1 3.22Å
35G70.8Confident83.3Confident62 Ų6269.4 Ų69.464%0.63937%0.369SS*.SBendtrans91.3-175.1177.100000114.3C33C33-G35 PolarHBondContact O-N 2.82Å
36F70.6Confident83.1Confident189 Ų18962.4 Ų62.483%0.82934%0.341SS*.THydrogen-bonded Turntrans-74.3129.4-166.8-167.6-99.4000113.7Q38F36-Q38 PolarHBondContact O-N 3.34Å
37C75.2Confident83Confident52 Ų5258.6 Ų58.635%0.35132%0.316SS..THydrogen-bonded Turntrans42.441.1175.7-620000114.9V39 E40 R41C37-V39 PolarHBondContact O-N 3.49Å; C37-E40 PolarHBondContact O-N 3.22Å; C37-R41 PolarHBondContact O-N 3.48Å
38Q83.7Confident83Confident13 Ų1354.2 Ų54.26%0.06129%0.293CS..Hα-helixtrans-65.7-37.3-172.9-171.5-174.216.700112.1S31 F32 S34 F36 R41 V42S31-Q38 VanDerWaalsContact O-CD 3.32Å; S31-Q38 PolarHBondContact O-NE2 3.15Å; S31-Q38 PolarHBondContact O-OE1 2.96Å; F32-Q38 PolarHBondContact O-OE1 3.14Å; F32-Q38 VanDerWaalsContact O-OE1 3.11Å; S34-Q38 PolarHBondContact O-OE1 2.98Å; S34-Q38 PolarHBondContact OG-NE2 3.2Å; S34-Q38 VanDerWaalsContact OG-NE2 3.12Å; S34-Q38 PolarHBondContact OG-OE1 3.22Å; F36-Q38 PolarHBondContact O-N 3.34Å; Q38-R41 PolarHBondContact O-N 3.35Å; Q38-V42 WeakPolarHBondContact O-CG2 3.45Å; Q38-V42 PolarHBondContact O-N 2.85Å
39V87.6Confident83.1Confident7 Ų751.9 Ų51.94%0.04228%0.283CS..Hα-helixtrans-62.4-47.9179.1-174.60000110.3F32 C37 R41 V42 M43 L51 L475 E478 M482F32-V39 HydrophobicContact CB-CG2 4.01Å; F32-V39 HydrophobicContact CD1-CG2 4.49Å; C37-V39 PolarHBondContact O-N 3.49Å; V39-R41 PolarHBondContact O-N 2.9Å; V39-V42 PolarHBondContact O-N 3.41Å; V39-M43 HydrophobicContact CG1-CG 4.29Å; V39-M43 HydrophobicContact CG1-SD 4.03Å; V39-M43 WeakPolarHBondContact O-CB 3.29Å; V39-M43 WeakPolarHBondContact O-CG 3.28Å; V39-M43 PolarHBondContact O-N 3.18Å; V39-L51 HydrophobicContact CG1-CD1 4.48Å; V39-L51 HydrophobicContact CG1-CD2 3.88Å; V39-L475 HydrophobicContact CG2-CD2 3.29Å; V39-E478 WeakPolarHBondContact CB-OE1 3.5Å; V39-E478 WeakPolarHBondContact CG2-OE2 3.44Å; V39-M482 HydrophobicContact CB-CE 3.93Å; V39-M482 HydrophobicContact CG1-CE 3.87Å
40E85.3Confident83.2Confident61 Ų6158.8 Ų58.829%0.28531%0.311SS..Hα-helixtrans-61.3-45.8-179-160.4-164161.300111.6C37 V42 M43 R44 M482 R488C37-E40 PolarHBondContact O-N 3.22Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-V42 PolarHBondContact O-N 3.49Å; E40-M43 PolarHBondContact O-N 2.99Å; E40-R44 PolarHBondContact O-N 3.27Å; E40-M482 HydrophobicContact CB-CE 3.85Å; E40-M482 HydrophobicContact CB-CG 4.46Å; E40-M482 HydrophobicContact CB-SD 4.1Å; E40-M482 HydrophobicContact CG-CE 4.34Å; E40-M482 HydrophobicContact CG-CG 4.04Å; E40-M482 HydrophobicContact CG-SD 3.93Å; E40-R488 IonicContact OE1-CZ 3.83Å; E40-R488 IonicContact OE1-NH1 3.78Å; E40-R488 IonicContact OE1-NH2 3.91Å; E40-R488 PolarHBondContact OE1-NH2 2.9Å
41R85.3Confident83.5Confident100 Ų10057 Ų5738%0.37730%0.299SS..Hα-helixtrans-60.9-39.2177.5-177.1172.559.8167.7-5112.1C37 Q38 V39 N45C37-R41 PolarHBondContact O-N 3.48Å; Q38-R41 PolarHBondContact O-N 3.35Å; V39-R41 PolarHBondContact O-N 2.9Å; R41-N45 VanDerWaalsContact O-CG 3.31Å; R41-N45 PolarHBondContact O-N 3.26Å; R41-N45 VanDerWaalsContact O-N 3.16Å; R41-N45 PolarHBondContact O-ND2 3.34Å
42V88Confident83.9Confident22 Ų2261.5 Ų61.513%0.13331%0.308CS..Hα-helixtrans-70.5-41.3175.3174.70000111.1M1 F32 Q38 V39 E40 R44 N45 L46M1-V42 HydrophobicContact CE-CG2 4.25Å; F32-V42 HydrophobicContact CE1-CB 4.41Å; F32-V42 HydrophobicContact CE1-CG1 4.03Å; Q38-V42 WeakPolarHBondContact O-CG2 3.45Å; Q38-V42 PolarHBondContact O-N 2.85Å; V39-V42 PolarHBondContact O-N 3.41Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-V42 PolarHBondContact O-N 3.49Å; V42-R44 VanDerWaalsContact C-N 3.31Å; V42-R44 PolarHBondContact O-N 2.95Å; V42-N45 PolarHBondContact O-N 2.88Å; V42-L46 HydrophobicContact CG1-CD1 3.62Å; V42-L46 HydrophobicContact CG1-CG 4.07Å; V42-L46 WeakPolarHBondContact O-CB 3.48Å; V42-L46 VanDerWaalsContact O-CG 3.27Å; V42-L46 WeakPolarHBondContact O-CG 3.33Å; V42-L46 PolarHBondContact O-N 3Å
43M87.1Confident84.2Confident8 Ų860.8 Ų60.84%0.03931%0.306CS..Hα-helixtrans-62.3-35.4175.8-74-175.966.400113.2V39 E40 F47 V48 L51 M482 I484V39-M43 HydrophobicContact CG1-CG 4.29Å; V39-M43 HydrophobicContact CG1-SD 4.03Å; V39-M43 WeakPolarHBondContact O-CB 3.29Å; V39-M43 WeakPolarHBondContact O-CG 3.28Å; V39-M43 PolarHBondContact O-N 3.18Å; E40-M43 PolarHBondContact O-N 2.99Å; M43-F47 PolarHBondContact O-N 3.33Å; M43-V48 HydrophobicContact CB-CG2 4.03Å; M43-V48 HydrophobicContact CE-CG2 4.31Å; M43-V48 WeakPolarHBondContact CE-O 3.39Å; M43-V48 HydrophobicContact CG-CG2 4Å; M43-V48 PolarHBondContact O-N 3.48Å; M43-V48 VanDerWaalsContact O-N 3.12Å; M43-L51 HydrophobicContact CE-CB 3.91Å; M43-L51 HydrophobicContact SD-CB 3.81Å; M43-L51 HydrophobicContact SD-CD1 4.37Å; M43-L51 HydrophobicContact SD-CD2 4.28Å; M43-L51 HydrophobicContact SD-CG 4.38Å; M43-M482 HydrophobicContact SD-CE 4.41Å; M43-M482 HydrophobicContact SD-SD 3.89Å; M43-I484 HydrophobicContact CE-CD1 3.78Å
44R85.5Confident84.8Confident92 Ų9266.4 Ų66.435%0.34732%0.321SS..Hα-helixtrans-60.5-54.5170178.8170.370.7-155.49.3110.9E2 E40 V42 L46 F47E2-R44 IonicContact OE1-CZ 2.84Å; E2-R44 IonicContact OE1-NE 2.69Å; E2-R44 IonicContact OE1-NH2 2.87Å; E2-R44 PolarHBondContact OE1-NH2 2.95Å; E40-R44 PolarHBondContact O-N 3.27Å; V42-R44 VanDerWaalsContact C-N 3.31Å; V42-R44 PolarHBondContact O-N 2.95Å; R44-L46 PolarHBondContact O-N 2.86Å; R44-F47 PolarHBondContact O-N 2.92Å
45N84.8Confident85.6Confident22 Ų2263.3 Ų63.312%0.11830%0.299CS..Hα-helixtrans-64.4-26.7-178.2-66.9-12.3000113.8M1 R41 V42M1-N45 PolarHBondContact O-ND2 2.79Å; R41-N45 VanDerWaalsContact O-CG 3.31Å; R41-N45 PolarHBondContact O-N 3.26Å; R41-N45 VanDerWaalsContact O-N 3.16Å; R41-N45 PolarHBondContact O-ND2 3.34Å; V42-N45 PolarHBondContact O-N 2.88Å
46L88.1Confident86.4Confident46 Ų4663.6 Ų63.624%0.24128%0.281CS..THydrogen-bonded Turntrans-86.7-4.4175.6-66.7176.9000113.7L10 A24 V42 R44 V48L10-L46 HydrophobicContact CD1-CD2 3.5Å; A24-L46 HydrophobicContact CB-CD1 3.87Å; V42-L46 HydrophobicContact CG1-CD1 3.62Å; V42-L46 HydrophobicContact CG1-CG 4.07Å; V42-L46 WeakPolarHBondContact O-CB 3.48Å; V42-L46 VanDerWaalsContact O-CG 3.27Å; V42-L46 WeakPolarHBondContact O-CG 3.33Å; V42-L46 PolarHBondContact O-N 3Å; R44-L46 PolarHBondContact O-N 2.86Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 HydrophobicContact CB-CG1 4.34Å; L46-V48 HydrophobicContact CB-CG2 3.97Å; L46-V48 PolarHBondContact O-N 3.45Å
47F87.1Confident87.3Confident12 Ų1259.6 Ų59.65%0.05326%0.263CS..THydrogen-bonded Turntrans53.142-174.9-57.2-83.5000113.8L10 R11 R14 I22 M43 R44 R488 L498L10-F47 HydrophobicContact CB-CD2 4.44Å; R11-F47 HydrophobicContact CB-CE2 4.46Å; R14-F47 HydrophobicContact CG-CG 4.49Å; I22-F47 HydrophobicContact CD1-CB 4.19Å; M43-F47 PolarHBondContact O-N 3.33Å; R44-F47 PolarHBondContact O-N 2.92Å; F47-R488 CarbonylContact C-O 3.59Å; F47-R488 VanDerWaalsContact CA-O 3.3Å; F47-R488 WeakPolarHBondContact CA-O 3.23Å; F47-L498 HydrophobicContact CE1-CD2 3.62Å; F47-L498 HydrophobicContact CE1-CG 4.11Å; F47-L498 HydrophobicContact CE2-CD2 4.43Å; F47-L498 HydrophobicContact CZ-CD2 3.52Å; F47-L498 HydrophobicContact CZ-CG 4.47Å
48V87.9Confident88Confident26 Ų2659.5 Ų59.516%0.15826%0.258CS..  trans-114133.5-177.8-67.30000113.3I22 M43 L46I22-V48 HydrophobicContact CB-CG1 4.46Å; I22-V48 HydrophobicContact CG2-CG1 4.06Å; M43-V48 HydrophobicContact CB-CG2 4.03Å; M43-V48 HydrophobicContact CE-CG2 4.31Å; M43-V48 WeakPolarHBondContact CE-O 3.39Å; M43-V48 HydrophobicContact CG-CG2 4Å; M43-V48 PolarHBondContact O-N 3.48Å; M43-V48 VanDerWaalsContact O-N 3.12Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 HydrophobicContact CB-CG1 4.34Å; L46-V48 HydrophobicContact CB-CG2 3.97Å; L46-V48 PolarHBondContact O-N 3.45Å
49K86.1Confident88.3Confident68 Ų6862.8 Ų62.830%0.29629%0.287SS..  trans-85.6-38.4178-74.9172.1170.6157.20114.7I484 E486 E489K49-I484 VanDerWaalsContact O-CD1 3.27Å; K49-I484 WeakPolarHBondContact O-CD1 3.38Å; K49-E486 WeakPolarHBondContact CE-O 3.39Å; K49-E486 PolarHBondContact NZ-O 2.56Å; K49-E489 HydrophobicContact CD-CB 4.11Å; K49-E489 WeakPolarHBondContact CD-OE2 3.42Å; K49-E489 WeakPolarHBondContact CE-OE2 3.14Å; K49-E489 HydrophobicContact CG-CB 4.28Å; K49-E489 IonicContact NZ-OE2 3.47Å; K49-E489 PolarHBondContact NZ-OE2 3.05Å
50K88.4Confident88.5Confident154 Ų15465.7 Ų65.767%0.6731%0.308SS*.  trans-111.7110.1-166.5-63.5-169.4-179-175.40112.1Y52K50-Y52 HydrophobicContact CB-CD2 4.29Å; K50-Y52 HydrophobicContact CB-CE2 3.62Å; K50-Y52 HydrophobicContact CD-CE2 4.42Å; K50-Y52 WeakPolarHBondContact CD-OH 3.16Å
51L90.3Very high88.7Confident35 Ų3564.6 Ų64.618%0.18331%0.305CS..  trans-82.7121.9168.2-177.161.2000110.6V39 M43 L53 K479V39-L51 HydrophobicContact CG1-CD1 4.48Å; V39-L51 HydrophobicContact CG1-CD2 3.88Å; M43-L51 HydrophobicContact CE-CB 3.91Å; M43-L51 HydrophobicContact SD-CB 3.81Å; M43-L51 HydrophobicContact SD-CD1 4.37Å; M43-L51 HydrophobicContact SD-CD2 4.28Å; M43-L51 HydrophobicContact SD-CG 4.38Å; L51-L53 HydrophobicContact CD1-CD2 4.01Å; L51-L53 HydrophobicContact CD2-CD2 4.24Å; L51-L53 HydrophobicContact CD2-CG 4.41Å; L51-L53 HydrophobicContact CG-CD2 4.04Å; L51-L53 HydrophobicContact CG-CG 4.21Å; L51-K479 HydrophobicContact CD2-CB 4.07Å; L51-K479 HydrophobicContact CD2-CD 4.3Å; L51-K479 HydrophobicContact CD2-CG 4.26Å; L51-K479 HydrophobicContact CG-CD 4.4Å; L51-K479 WeakPolarHBondContact O-CE 3.45Å; L51-K479 PolarHBondContact O-NZ 2.92Å
52Y91.4Very high89Confident155 Ų15562.5 Ų62.561%0.60830%0.301SS*.  trans-111.7121.2172.4-66.4-84.4000109.2K50K50-Y52 HydrophobicContact CB-CD2 4.29Å; K50-Y52 HydrophobicContact CB-CE2 3.62Å; K50-Y52 HydrophobicContact CD-CE2 4.42Å; K50-Y52 WeakPolarHBondContact CD-OH 3.16Å
53L92.1Very high89.1Confident34 Ų3464.1 Ų64.118%0.17832%0.317CS..  trans-109130.3176.9-59.3177.8000108.7L51 L475 I476 K479L51-L53 HydrophobicContact CD1-CD2 4.01Å; L51-L53 HydrophobicContact CD2-CD2 4.24Å; L51-L53 HydrophobicContact CD2-CG 4.41Å; L51-L53 HydrophobicContact CG-CD2 4.04Å; L51-L53 HydrophobicContact CG-CG 4.21Å; L53-L475 HydrophobicContact CD1-CB 3.94Å; L53-L475 WeakPolarHBondContact CD1-O 3.49Å; L53-L475 HydrophobicContact CD2-CB 4.32Å; L53-I476 HydrophobicContact CD1-CG1 3.84Å; L53-K479 HydrophobicContact CD1-CB 4.13Å; L53-K479 HydrophobicContact CD1-CD 3.77Å; L53-K479 HydrophobicContact CG-CD 4.02Å
54W91.4Very high89.1Confident163 Ų16366.1 Ų66.162%0.61734%0.335SS*.  trans-129.469-179.2-7093.2000111.3V61W54-V61 HydrophobicContact CE3-CG2 4.17Å
55P91.4Very high89.2Confident8 Ų863 Ų635%0.05233%0.325CS..  trans-72.2150.7-179.530.8-35.4000112F57 Q58 F472 I476P55-F57 HydrophobicContact CB-CD1 3.91Å; P55-F57 HydrophobicContact CB-CD2 4.38Å; P55-F57 HydrophobicContact CB-CE1 3.64Å; P55-F57 HydrophobicContact CB-CE2 4.12Å; P55-F57 HydrophobicContact CB-CG 4.28Å; P55-F57 HydrophobicContact CB-CZ 3.76Å; P55-F57 HydrophobicContact CG-CD2 4.2Å; P55-F57 HydrophobicContact CG-CE1 4.29Å; P55-F57 HydrophobicContact CG-CE2 3.86Å; P55-F57 HydrophobicContact CG-CZ 3.92Å; P55-F57 PolarHBondContact O-N 3.1Å; P55-Q58 HydrophobicContact CG-CB 4.17Å; P55-Q58 WeakPolarHBondContact O-CB 3.36Å; P55-Q58 PolarHBondContact O-N 3.25Å; P55-F472 HydrophobicContact CB-CB 4.17Å; P55-F472 HydrophobicContact CB-CD1 3.9Å; P55-F472 HydrophobicContact CB-CD2 4.27Å; P55-F472 HydrophobicContact CB-CE1 4.33Å; P55-F472 HydrophobicContact CB-CG 3.87Å; P55-I476 HydrophobicContact CG-CD1 4.42Å
56R87.4Confident89.3Confident68 Ų6865 Ų6526%0.25734%0.336SS..THydrogen-bonded Turntrans-57.3-23.7179176.859.3-174.282.60.2114.1N62 L65 E434R56-N62 PolarHBondContact NH1-OD1 3.11Å; R56-L65 VanDerWaalsContact CZ-CD1 3.5Å; R56-E434 IonicContact CZ-OE1 3.48Å; R56-E434 IonicContact CZ-OE2 3.82Å; R56-E434 IonicContact NE-OE1 3.54Å; R56-E434 IonicContact NE-OE2 3.18Å; R56-E434 PolarHBondContact NE-OE2 3.3Å; R56-E434 IonicContact NH2-OE1 2.81Å; R56-E434 PolarHBondContact NH2-OE1 2.62Å; R56-E434 IonicContact NH2-OE2 2.73Å; R56-E434 PolarHBondContact NH2-OE2 3.14Å
57F88.4Confident89.3Confident105 Ų10571.8 Ų71.846%0.46136%0.358SS..THydrogen-bonded Turntrans-88.33.217761.4-103.1000114.4P55 A59 F472 E473 I476P55-F57 HydrophobicContact CB-CD1 3.91Å; P55-F57 HydrophobicContact CB-CD2 4.38Å; P55-F57 HydrophobicContact CB-CE1 3.64Å; P55-F57 HydrophobicContact CB-CE2 4.12Å; P55-F57 HydrophobicContact CB-CG 4.28Å; P55-F57 HydrophobicContact CB-CZ 3.76Å; P55-F57 HydrophobicContact CG-CD2 4.2Å; P55-F57 HydrophobicContact CG-CE1 4.29Å; P55-F57 HydrophobicContact CG-CE2 3.86Å; P55-F57 HydrophobicContact CG-CZ 3.92Å; P55-F57 PolarHBondContact O-N 3.1Å; F57-A59 PolarHBondContact O-N 2.96Å; F57-F472 HydrophobicContact CE1-CB 3.89Å; F57-F472 HydrophobicContact CZ-CB 4.03Å; F57-E473 HydrophobicContact CZ-CG 4.47Å; F57-I476 HydrophobicContact CE2-CD1 4.01Å; F57-I476 HydrophobicContact CZ-CD1 3.93Å
58Q90.9Very high89.3Confident51 Ų5174.2 Ų74.224%0.23837%0.37CS..  trans-65.4132.5175.3-177.2178.7-11.300111P55 S60 V61 N62P55-Q58 HydrophobicContact CG-CB 4.17Å; P55-Q58 WeakPolarHBondContact O-CB 3.36Å; P55-Q58 PolarHBondContact O-N 3.25Å; Q58-S60 VanDerWaalsContact C-N 3.3Å; Q58-S60 PolarHBondContact NE2-OG 2.86Å; Q58-S60 PolarHBondContact O-N 3.44Å; Q58-S60 VanDerWaalsContact O-N 3.15Å; Q58-V61 HydrophobicContact CB-CB 4.37Å; Q58-V61 HydrophobicContact CB-CG2 4.09Å; Q58-V61 HydrophobicContact CG-CG2 4.5Å; Q58-V61 WeakPolarHBondContact O-CB 3.46Å; Q58-V61 PolarHBondContact O-N 3.05Å; Q58-N62 PolarHBondContact O-N 3.49Å
59A90.6Very high89.3Confident82 Ų8278.5 Ų78.568%0.67839%0.386SS*.Hα-helixtrans-52.7-41.3-172.800000114.2F57 A63F57-A59 PolarHBondContact O-N 2.96Å; A59-A63 WeakPolarHBondContact O-CB 3.44Å; A59-A63 PolarHBondContact O-N 3.45Å
60S91.8Very high89.4Confident68 Ų6876.3 Ų76.348%0.47638%0.379SS..Hα-helixtrans-69.2-3517853.70000113.7Q58 A64Q58-S60 VanDerWaalsContact C-N 3.3Å; Q58-S60 PolarHBondContact NE2-OG 2.86Å; Q58-S60 PolarHBondContact O-N 3.44Å; Q58-S60 VanDerWaalsContact O-N 3.15Å; S60-A64 PolarHBondContact O-N 2.79Å
61V89.7Confident89.4Confident38 Ų3874.5 Ų74.523%0.2337%0.373CS..Hα-helixtrans-70.6-45.9176177.30000109.3W54 Q58 A64 L65W54-V61 HydrophobicContact CE3-CG2 4.17Å; Q58-V61 HydrophobicContact CB-CB 4.37Å; Q58-V61 HydrophobicContact CB-CG2 4.09Å; Q58-V61 HydrophobicContact CG-CG2 4.5Å; Q58-V61 WeakPolarHBondContact O-CB 3.46Å; Q58-V61 PolarHBondContact O-N 3.05Å; V61-A64 PolarHBondContact O-N 2.91Å; V61-L65 HydrophobicContact CG1-CD1 3.94Å; V61-L65 PolarHBondContact O-N 3.08Å; V61-L65 VanDerWaalsContact O-N 3.08Å
62N90.1Very high89.4Confident55 Ų5576.1 Ų76.129%0.29438%0.384SS..Hα-helixtrans-65.9-43.4179.6-158.669.9000111.8R56 Q58 A64 L65 D66R56-N62 PolarHBondContact NH1-OD1 3.11Å; Q58-N62 PolarHBondContact O-N 3.49Å; N62-A64 PolarHBondContact O-N 3.27Å; N62-A64 VanDerWaalsContact O-N 3.15Å; N62-L65 PolarHBondContact O-N 3.23Å; N62-D66 PolarHBondContact ND2-OD1 2.93Å; N62-D66 PolarHBondContact ND2-OD2 2.78Å; N62-D66 WeakPolarHBondContact O-CB 3.23Å; N62-D66 VanDerWaalsContact O-CG 3.25Å; N62-D66 PolarHBondContact O-N 2.88Å; N62-D66 PolarHBondContact OD1-OD1 2.98Å
63A90.3Very high89.5Confident56 Ų5670.7 Ų70.746%0.46337%0.367SS..Hα-helixtrans-68.2-9.5176.100000114.9A59 R67A59-A63 WeakPolarHBondContact O-CB 3.44Å; A59-A63 PolarHBondContact O-N 3.45Å; A63-R67 PolarHBondContact O-NE 3.38Å
64A88.4Confident89.4Confident50 Ų5074.9 Ų74.941%0.41339%0.386SS..Hα-helixtrans-90.2-48.6169.600000111.4S60 V61 N62S60-A64 PolarHBondContact O-N 2.79Å; V61-A64 PolarHBondContact O-N 2.91Å; N62-A64 PolarHBondContact O-N 3.27Å; N62-A64 VanDerWaalsContact O-N 3.15Å
65L87.5Confident89.4Confident26 Ų2669.4 Ų69.414%0.13637%0.368CS..Hα-helixtrans-72.3-34.1-178.5-65173.1000112.8R56 V61 N62 R67 H68 A438R56-L65 VanDerWaalsContact CZ-CD1 3.5Å; V61-L65 HydrophobicContact CG1-CD1 3.94Å; V61-L65 PolarHBondContact O-N 3.08Å; V61-L65 VanDerWaalsContact O-N 3.08Å; N62-L65 PolarHBondContact O-N 3.23Å; L65-R67 PolarHBondContact O-N 3.38Å; L65-R67 VanDerWaalsContact O-N 3.07Å; L65-H68 CarbonylContact O-C 3.36Å; L65-H68 PolarHBondContact O-N 2.81Å; L65-H68 VanDerWaalsContact O-N 3.11Å; L65-A438 HydrophobicContact CD2-CB 3.78Å
66D87.1Confident89.3Confident66 Ų6674.6 Ų74.635%0.35339%0.391SS..THydrogen-bonded Turntrans-63.4-17.1-179.1-80.27.7000113.9N62 H68 K69N62-D66 PolarHBondContact ND2-OD1 2.93Å; N62-D66 PolarHBondContact ND2-OD2 2.78Å; N62-D66 WeakPolarHBondContact O-CB 3.23Å; N62-D66 VanDerWaalsContact O-CG 3.25Å; N62-D66 PolarHBondContact O-N 2.88Å; N62-D66 PolarHBondContact OD1-OD1 2.98Å; D66-H68 VanDerWaalsContact C-N 3.31Å; D66-H68 PolarHBondContact O-N 2.81Å; D66-K69 VanDerWaalsContact CA-CE 3.5Å; D66-K69 VanDerWaalsContact CG-NZ 3.27Å; D66-K69 WeakPolarHBondContact OD1-CE 3.46Å; D66-K69 IonicContact OD1-NZ 3.57Å; D66-K69 PolarHBondContact OD1-NZ 3.15Å; D66-K69 IonicContact OD2-NZ 2.67Å; D66-K69 PolarHBondContact OD2-NZ 3.48Å
67R87.8Confident89.5Confident188 Ų18871.7 Ų71.771%0.70938%0.381SS*.THydrogen-bonded Turntrans-68.2-29.7175.9-57.3177.3-173.6-156.6-3.9113A63 L65A63-R67 PolarHBondContact O-NE 3.38Å; L65-R67 PolarHBondContact O-N 3.38Å; L65-R67 VanDerWaalsContact O-N 3.07Å
68H86.9Confident89.5Confident63 Ų6370.8 Ų70.829%0.29239%0.388SS..SBendtrans-14468.9-172.1-59.9124.1000109.8L65 D66 R437L65-H68 CarbonylContact O-C 3.36Å; L65-H68 PolarHBondContact O-N 2.81Å; L65-H68 VanDerWaalsContact O-N 3.11Å; D66-H68 VanDerWaalsContact C-N 3.31Å; D66-H68 PolarHBondContact O-N 2.81Å; H68-R437 HydrophobicContact CB-CG 4.47Å; H68-R437 WeakPolarHBondContact O-CG 3.32Å
69K86.8Confident89.4Confident115 Ų11568.5 Ų68.550%0.538%0.377SS..PPolyproline II helixtrans-71.4147.8174.4-60-166.4-179.4-166.10111.2D66 R437D66-K69 VanDerWaalsContact CA-CE 3.5Å; D66-K69 VanDerWaalsContact CG-NZ 3.27Å; D66-K69 WeakPolarHBondContact OD1-CE 3.46Å; D66-K69 IonicContact OD1-NZ 3.57Å; D66-K69 PolarHBondContact OD1-NZ 3.15Å; D66-K69 IonicContact OD2-NZ 2.67Å; D66-K69 PolarHBondContact OD2-NZ 3.48Å; K69-R437 PolarHBondContact O-NE 2.91Å
70P88.1Confident89.4Confident23 Ų2365.7 Ų65.715%0.14935%0.352CS..PPolyproline II helixtrans-66.6153.9157.330.8-33000109.1V72 L445 V447P70-V72 HydrophobicContact CG-CG2 4.23Å; P70-L445 HydrophobicContact CB-CD2 4.37Å; P70-V447 HydrophobicContact CB-CG2 4.02Å
71E88.9Confident89.3Confident115 Ų11567.6 Ų67.654%0.53736%0.362SS..EExtended strand (participates in β ladder)trans-80.7132.9165.9-177175.5-159.200107.9L445 R446 V447E71-L445 PolarHBondContact N-O 3.4Å; E71-R446 HydrophobicContact CB-CB 4.35Å; E71-R446 HydrophobicContact CB-CG 4.23Å; E71-R446 HydrophobicContact CG-CG 4.06Å; E71-R446 CarbonylContact O-C 3.57Å; E71-R446 WeakPolarHBondContact O-CA 3.47Å; E71-R446 WeakPolarHBondContact OE2-CD 3.44Å; E71-V447 PolarHBondContact O-N 3.48Å
72V90.8Very high89.4Confident69 Ų6966.6 Ų66.642%0.41836%0.358SS..EExtended strand (participates in β ladder)trans-124.1124.5-172.9177.90000109.4P70 E74 V447 F449P70-V72 HydrophobicContact CG-CG2 4.23Å; V72-E74 HydrophobicContact CG1-CG 3.97Å; V72-V447 WeakPolarHBondContact CA-O 3.25Å; V72-F449 HydrophobicContact CG1-CD2 3.68Å; V72-F449 HydrophobicContact CG1-CE2 3.66Å; V72-F449 HydrophobicContact CG2-CE2 4.44Å
73V92.7Very high89.4Confident42 Ų4264.1 Ų64.126%0.25535%0.345SS..EExtended strand (participates in β ladder)trans-115.5108177.7-176.70000108.1L75 R446 V447 Y448 F449V73-L75 HydrophobicContact CG1-CD2 3.97Å; V73-L75 HydrophobicContact CG1-CG 4.24Å; V73-R446 HydrophobicContact CG2-CG 4.03Å; V73-V447 PolarHBondContact N-O 3.49Å; V73-Y448 HydrophobicContact CB-CD1 3.91Å; V73-Y448 HydrophobicContact CB-CE1 4.24Å; V73-Y448 HydrophobicContact CB-CG 4.47Å; V73-Y448 HydrophobicContact CG1-CD1 3.94Å; V73-Y448 HydrophobicContact CG1-CE1 4.07Å; V73-Y448 HydrophobicContact CG2-CE1 4.49Å; V73-Y448 WeakPolarHBondContact O-CA 3.45Å; V73-F449 PolarHBondContact O-N 2.69Å
74E91.1Very high89.5Confident122 Ų12268 Ų6857%0.5735%0.347SS*.EExtended strand (participates in β ladder)trans-91.8114.6-179.1-60.9-172.915800110.3V72V72-E74 HydrophobicContact CG1-CG 3.97Å
75L90.6Very high89.7Confident48 Ų4867.2 Ų67.225%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-108100.4-178.2-61.3-179.7000109.8V73 V77 V243 V247 Y448 F449 L450 I451V73-L75 HydrophobicContact CG1-CD2 3.97Å; V73-L75 HydrophobicContact CG1-CG 4.24Å; L75-V77 PolarHBondContact O-N 3.46Å; L75-V243 HydrophobicContact CB-CG1 4.36Å; L75-V243 HydrophobicContact CD1-CG1 3.79Å; L75-V247 HydrophobicContact CD1-CG2 3.43Å; L75-V247 VanDerWaalsContact CD1-CG2 3.43Å; L75-Y448 HydrophobicContact CD1-CD1 3.89Å; L75-F449 PolarHBondContact N-O 2.81Å; L75-L450 HydrophobicContact CD1-CD1 4.32Å; L75-I451 PolarHBondContact O-N 3.13Å; L75-I451 VanDerWaalsContact O-N 3.1Å
76H90.7Very high90Very high116 Ų11666 Ų6654%0.53734%0.335SS..EExtended strand (participates in β ladder)trans-78.597.7177-70.8-86.9000111.1I451 E458H76-I451 CarbonylContact C-O 3.49Å; H76-I451 WeakPolarHBondContact CA-O 3.47Å; H76-E458 IonicContact CE1-OE1 2.69Å; H76-E458 IonicContact ND1-OE1 3.44Å
77V89.9Confident90.3Very high8 Ų863.6 Ų63.65%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-81.1126.6178.1-170.40000109.5L75 P239 K240 V243 I451 Y452 G453L75-V77 PolarHBondContact O-N 3.46Å; V77-P239 HydrophobicContact CG1-CB 3.53Å; V77-K240 HydrophobicContact CG1-CG 4.46Å; V77-K240 HydrophobicContact CG2-CG 4.23Å; V77-V243 HydrophobicContact CG1-CG2 4.42Å; V77-V243 HydrophobicContact CG2-CB 4.4Å; V77-V243 HydrophobicContact CG2-CG1 4.37Å; V77-V243 HydrophobicContact CG2-CG2 4.17Å; V77-I451 PolarHBondContact N-O 2.87Å; V77-Y452 HydrophobicContact CB-CD1 3.88Å; V77-Y452 HydrophobicContact CB-CE1 4.14Å; V77-Y452 HydrophobicContact CG1-CD1 3.88Å; V77-Y452 HydrophobicContact CG1-CE1 3.65Å; V77-Y452 CarbonylContact O-C 3.55Å; V77-Y452 VanDerWaalsContact O-CA 3.26Å; V77-Y452 WeakPolarHBondContact O-CA 3.42Å; V77-G453 PolarHBondContact O-N 3.18Å
78S89.1Confident90.5Very high85 Ų8557.5 Ų57.559%0.59431%0.307SS*.EExtended strand (participates in β ladder)trans-80.6135.6178.782.90000112.3
79L88.3Confident90.8Very high4 Ų455 Ų552%0.02130%0.297CS..PPolyproline II helixtrans-69.3137.2171.8-73.5174.6000111.2M83 R84 Y452L79-M83 HydrophobicContact CD2-CB 4.35Å; L79-M83 HydrophobicContact CD2-CE 3.81Å; L79-M83 HydrophobicContact CD2-SD 4.33Å; L79-R84 PolarHBondContact O-NH2 3.43Å; L79-Y452 HydrophobicContact CD2-CD1 3.61Å; L79-Y452 HydrophobicContact CD2-CD2 4.25Å; L79-Y452 HydrophobicContact CD2-CE1 3.96Å; L79-Y452 HydrophobicContact CD2-CG 3.78Å; L79-Y452 HydrophobicContact CG-CD1 4.13Å; L79-Y452 HydrophobicContact CG-CG 4.36Å
80T90.8Very high91Very high22 Ų2249.5 Ų49.514%0.13527%0.273CS..PPolyproline II helixtrans-62156.3175.681.90000111.4A82 M83 R84 E236 P239T80-A82 VanDerWaalsContact C-N 3.27Å; T80-A82 PolarHBondContact O-N 2.94Å; T80-M83 HydrophobicContact CG2-SD 4.06Å; T80-M83 PolarHBondContact O-N 2.98Å; T80-M83 WeakPolarHBondContact OG1-CG 2.85Å; T80-M83 PolarHBondContact OG1-N 3.48Å; T80-R84 WeakPolarHBondContact O-CB 3.5Å; T80-R84 PolarHBondContact O-N 3.02Å; T80-E236 VanDerWaalsContact CB-OE1 3.29Å; T80-E236 WeakPolarHBondContact CB-OE1 3.31Å; T80-E236 WeakPolarHBondContact CG2-OE1 3.37Å; T80-E236 PolarHBondContact OG1-OE1 3.41Å; T80-P239 HydrophobicContact CG2-CG 3.65Å
81P90.8Very high91.2Very high108 Ų10850 Ų5070%0.70128%0.275SS*.Hα-helixtrans-57.3-38.3178.7-26.135.6000113.3R84 A85P81-R84 PolarHBondContact O-N 3.43Å; P81-A85 PolarHBondContact O-N 2.97Å
82A90.1Very high91.3Very high17 Ų1748.3 Ų48.314%0.1427%0.269CS..Hα-helixtrans-67.8-45.7177.600000111.8T80 R84 A85 I86 R203T80-A82 VanDerWaalsContact C-N 3.27Å; T80-A82 PolarHBondContact O-N 2.94Å; A82-R84 VanDerWaalsContact C-N 3.3Å; A82-R84 PolarHBondContact O-N 3.23Å; A82-A85 PolarHBondContact O-N 3.07Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.11Å; A82-R203 HydrophobicContact CB-CG 3.77Å
83M91Very high91.3Very high3 Ų345 Ų452%0.01525%0.249CC..Hα-helixtrans-59.9-40.3174.3-69176.979.500111.7L79 T80 I86 Q87 L159L79-M83 HydrophobicContact CD2-CB 4.35Å; L79-M83 HydrophobicContact CD2-CE 3.81Å; L79-M83 HydrophobicContact CD2-SD 4.33Å; T80-M83 HydrophobicContact CG2-SD 4.06Å; T80-M83 PolarHBondContact O-N 2.98Å; T80-M83 WeakPolarHBondContact OG1-CG 2.85Å; T80-M83 PolarHBondContact OG1-N 3.48Å; M83-I86 PolarHBondContact O-N 2.83Å; M83-Q87 WeakPolarHBondContact O-CB 3.49Å; M83-Q87 PolarHBondContact O-N 2.89Å; M83-L159 VanDerWaalsContact CE-O 3.3Å; M83-L159 WeakPolarHBondContact CE-O 3.43Å; M83-L159 HydrophobicContact CG-CD1 4.39Å
84R92.6Very high91.2Very high137 Ų13743 Ų4352%0.51724%0.237SC..Hα-helixtrans-66.2-40.5178.8-161.8179.9-53.7159.58.3112.5L79 T80 P81 A82 Q87 S88L79-R84 PolarHBondContact O-NH2 3.43Å; T80-R84 WeakPolarHBondContact O-CB 3.5Å; T80-R84 PolarHBondContact O-N 3.02Å; P81-R84 PolarHBondContact O-N 3.43Å; A82-R84 VanDerWaalsContact C-N 3.3Å; A82-R84 PolarHBondContact O-N 3.23Å; R84-Q87 PolarHBondContact O-N 3.36Å; R84-S88 PolarHBondContact O-N 3.01Å
85A92.6Very high91.2Very high34 Ų3438.7 Ų38.728%0.28122%0.22SC..Hα-helixtrans-64.6-39.8174.400000112.2P81 A82 S89P81-A85 PolarHBondContact O-N 2.97Å; A82-A85 PolarHBondContact O-N 3.07Å; A85-S89 WeakPolarHBondContact O-CB 3.35Å; A85-S89 PolarHBondContact O-N 2.85Å; A85-S89 PolarHBondContact O-OG 3.2Å
86I92.7Very high91.1Very high0 Ų038.1 Ų38.10%022%0.222CC..Hα-helixtrans-64.2-44.7172.7-65.5164.8000110.5A82 M83 S88 S89 I90 L159 F167 M196 N199 A200A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.11Å; M83-I86 PolarHBondContact O-N 2.83Å; I86-S88 PolarHBondContact O-N 3.44Å; I86-S89 WeakPolarHBondContact O-CB 3.33Å; I86-S89 PolarHBondContact O-N 2.93Å; I86-I90 HydrophobicContact CG2-CD1 3.78Å; I86-I90 HydrophobicContact CG2-CG1 4.45Å; I86-I90 WeakPolarHBondContact O-CG1 3.48Å; I86-I90 PolarHBondContact O-N 3.32Å; I86-L159 HydrophobicContact CB-CD1 4.21Å; I86-L159 HydrophobicContact CB-CD2 4.23Å; I86-L159 HydrophobicContact CD1-CD1 4.27Å; I86-L159 HydrophobicContact CG2-CD1 3.77Å; I86-L159 HydrophobicContact CG2-CD2 3.81Å; I86-L159 HydrophobicContact CG2-CG 4.38Å; I86-F167 HydrophobicContact CD1-CE1 4.24Å; I86-F167 HydrophobicContact CG2-CE1 4.18Å; I86-F167 HydrophobicContact CG2-CZ 3.9Å; I86-M196 HydrophobicContact CG2-CG 4.02Å; I86-N199 HydrophobicContact CD1-CB 4.18Å; I86-N199 HydrophobicContact CG1-CB 3.7Å; I86-A200 HydrophobicContact CD1-CB 4.39Å
87Q93.3Very high91Very high17 Ų1732.8 Ų32.88%0.07920%0.198CC..Hα-helixtrans-59-48.2178.6-170.4-177.9-10000111.6M83 R84 I90 L91 L156 L159 G454 T456M83-Q87 WeakPolarHBondContact O-CB 3.49Å; M83-Q87 PolarHBondContact O-N 2.89Å; R84-Q87 PolarHBondContact O-N 3.36Å; Q87-I90 PolarHBondContact O-N 3.47Å; Q87-L91 HydrophobicContact CG-CD1 4.15Å; Q87-L91 VanDerWaalsContact O-CG 3.31Å; Q87-L91 WeakPolarHBondContact O-CG 3.24Å; Q87-L91 PolarHBondContact O-N 3.36Å; Q87-L91 VanDerWaalsContact O-N 3.11Å; Q87-L156 HydrophobicContact CG-CD1 4.1Å; Q87-L159 HydrophobicContact CB-CD2 4.02Å; Q87-G454 PolarHBondContact NE2-O 3.26Å; Q87-T456 HydrophobicContact CG-CG2 4.06Å; Q87-T456 VanDerWaalsContact OE1-N 3.07Å; Q87-T456 PolarHBondContact OE1-OG1 3.28Å
88S92.9Very high90.9Very high59 Ų5933 Ų3341%0.41320%0.199SC..Hα-helixtrans-58.6-51.3175-164.60000110.7R84 I86 I90 L91 D92R84-S88 PolarHBondContact O-N 3.01Å; I86-S88 PolarHBondContact O-N 3.44Å; S88-I90 VanDerWaalsContact C-N 3.26Å; S88-I90 PolarHBondContact O-N 2.86Å; S88-L91 PolarHBondContact O-N 2.99Å; S88-D92 PolarHBondContact O-N 3.23Å; S88-D92 PolarHBondContact OG-OD2 3Å
89S93.1Very high90.8Very high11 Ų1135.7 Ų35.78%0.07720%0.2CC..Hα-helixtrans-53.1-42.7-178.5-590000112.7A85 I86 I93 C192A85-S89 WeakPolarHBondContact O-CB 3.35Å; A85-S89 PolarHBondContact O-N 2.85Å; A85-S89 PolarHBondContact O-OG 3.2Å; I86-S89 WeakPolarHBondContact O-CB 3.33Å; I86-S89 PolarHBondContact O-N 2.93Å; S89-I93 VanDerWaalsContact O-CD1 3.23Å; S89-I93 WeakPolarHBondContact O-CD1 3.44Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 3.44Å; S89-I93 VanDerWaalsContact O-N 3.13Å; S89-C192 WeakPolarHBondContact CB-O 3.23Å; S89-C192 PolarHBondContact OG-O 3.28Å
90I92.1Very high90.7Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-69.1-41.8177.6-64.9167.4000111.5I86 Q87 S88 I93 M94 L152 L155 L156 M196I86-I90 HydrophobicContact CG2-CD1 3.78Å; I86-I90 HydrophobicContact CG2-CG1 4.45Å; I86-I90 WeakPolarHBondContact O-CG1 3.48Å; I86-I90 PolarHBondContact O-N 3.32Å; Q87-I90 PolarHBondContact O-N 3.47Å; S88-I90 VanDerWaalsContact C-N 3.26Å; S88-I90 PolarHBondContact O-N 2.86Å; I90-I93 PolarHBondContact O-N 2.98Å; I90-M94 HydrophobicContact CG2-CG 4.46Å; I90-M94 HydrophobicContact CG2-SD 4.13Å; I90-M94 WeakPolarHBondContact O-CB 3.48Å; I90-M94 WeakPolarHBondContact O-CG 3.36Å; I90-M94 PolarHBondContact O-N 2.8Å; I90-L152 HydrophobicContact CG2-CD2 4.34Å; I90-L155 HydrophobicContact CD1-CD2 4.05Å; I90-L155 HydrophobicContact CD1-CG 4Å; I90-L155 HydrophobicContact CG1-CD2 4.36Å; I90-L156 HydrophobicContact CB-CD1 4.31Å; I90-L156 HydrophobicContact CD1-CD1 4.42Å; I90-L156 HydrophobicContact CG2-CB 4.08Å; I90-L156 HydrophobicContact CG2-CD1 4.09Å; I90-M196 HydrophobicContact CD1-SD 4.04Å; I90-M196 HydrophobicContact CG1-SD 3.52Å; I90-M196 VanDerWaalsContact CG1-SD 3.52Å
91L91.4Very high90.5Very high34 Ų3437.3 Ų37.318%0.17821%0.206CC..Hα-helixtrans-66-38.7178.2-68.6171.2000112.3Q87 S88 M94 S95 L115 L119 L156 T456Q87-L91 HydrophobicContact CG-CD1 4.15Å; Q87-L91 VanDerWaalsContact O-CG 3.31Å; Q87-L91 WeakPolarHBondContact O-CG 3.24Å; Q87-L91 PolarHBondContact O-N 3.36Å; Q87-L91 VanDerWaalsContact O-N 3.11Å; S88-L91 PolarHBondContact O-N 2.99Å; L91-M94 PolarHBondContact O-N 2.72Å; L91-S95 VanDerWaalsContact O-CB 3.31Å; L91-S95 WeakPolarHBondContact O-CB 3.36Å; L91-S95 PolarHBondContact O-N 3.14Å; L91-L115 HydrophobicContact CD2-CD1 4.36Å; L91-L119 HydrophobicContact CD2-CD2 4.02Å; L91-L156 HydrophobicContact CD2-CD2 4.14Å; L91-T456 HydrophobicContact CD1-CG2 4.07Å; L91-T456 HydrophobicContact CD2-CG2 4.14Å
92D91.8Very high90.2Very high79 Ų7936.4 Ų36.442%0.42219%0.191SC..Hα-helixtrans-64.3-43175.4-69.1-49.1000111.2S88 S95 A96S88-D92 PolarHBondContact O-N 3.23Å; S88-D92 PolarHBondContact OG-OD2 3Å; D92-S95 WeakPolarHBondContact O-CB 3.34Å; D92-S95 PolarHBondContact O-N 2.7Å; D92-A96 PolarHBondContact O-N 3.25Å
93I90.6Very high89.9Confident0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-63.7-46.5173.4-66.2161.3000111.1S89 I90 S95 A96 C97 L152 W187 L190 C192S89-I93 VanDerWaalsContact O-CD1 3.23Å; S89-I93 WeakPolarHBondContact O-CD1 3.44Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 3.44Å; S89-I93 VanDerWaalsContact O-N 3.13Å; I90-I93 PolarHBondContact O-N 2.98Å; I93-S95 VanDerWaalsContact C-N 3.29Å; I93-S95 PolarHBondContact O-N 2.89Å; I93-A96 WeakPolarHBondContact O-CB 3.4Å; I93-A96 PolarHBondContact O-N 3.43Å; I93-A96 VanDerWaalsContact O-N 3.13Å; I93-C97 PolarHBondContact O-N 2.96Å; I93-C97 PolarHBondContact O-SG 3.49Å; I93-L152 HydrophobicContact CB-CD2 4.37Å; I93-L152 HydrophobicContact CG2-CD1 3.73Å; I93-L152 HydrophobicContact CG2-CD2 3.78Å; I93-L152 HydrophobicContact CG2-CG 4.43Å; I93-W187 HydrophobicContact CD1-CE3 4.06Å; I93-W187 HydrophobicContact CD1-CZ3 4.29Å; I93-W187 HydrophobicContact CG2-CB 3.75Å; I93-W187 HydrophobicContact CG2-CD2 4.09Å; I93-W187 HydrophobicContact CG2-CE3 3.84Å; I93-W187 HydrophobicContact CG2-CG 4.12Å; I93-L190 HydrophobicContact CG1-CD1 4.14Å; I93-L190 HydrophobicContact CG2-CD1 4.32Å; I93-C192 HydrophobicContact CD1-CB 4.1Å; I93-C192 HydrophobicContact CG1-CB 3.79Å
94M90.3Very high89.4Confident0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-59-41.2175.6-76178.458.100111.6I90 L91 A96 C97 L98 L115 A118 L119 L149 L152 R153 L156I90-M94 HydrophobicContact CG2-CG 4.46Å; I90-M94 HydrophobicContact CG2-SD 4.13Å; I90-M94 WeakPolarHBondContact O-CB 3.48Å; I90-M94 WeakPolarHBondContact O-CG 3.36Å; I90-M94 PolarHBondContact O-N 2.8Å; L91-M94 PolarHBondContact O-N 2.72Å; M94-A96 VanDerWaalsContact C-N 3.34Å; M94-A96 PolarHBondContact O-N 2.93Å; M94-C97 PolarHBondContact O-N 3.05Å; M94-L98 WeakPolarHBondContact O-CB 3.49Å; M94-L98 VanDerWaalsContact O-CG 3.26Å; M94-L98 WeakPolarHBondContact O-CG 3.49Å; M94-L98 PolarHBondContact O-N 2.83Å; M94-L115 HydrophobicContact CB-CD1 4.22Å; M94-L115 HydrophobicContact CE-CD1 4.4Å; M94-A118 HydrophobicContact CE-CB 4.15Å; M94-L119 HydrophobicContact CE-CD2 4.45Å; M94-L149 HydrophobicContact CG-CD2 4.48Å; M94-L152 HydrophobicContact CG-CB 3.67Å; M94-L152 HydrophobicContact CG-CD1 3.99Å; M94-L152 HydrophobicContact CG-CG 4.34Å; M94-L152 HydrophobicContact SD-CB 4.12Å; M94-R153 HydrophobicContact CE-CG 3.65Å; M94-R153 HydrophobicContact SD-CG 4.3Å; M94-L156 HydrophobicContact SD-CD2 4.26Å
95S89.9Confident88.6Confident30 Ų3044.2 Ų44.221%0.2122%0.218CC..Hα-helixtrans-59.8-41.7174.6-171.90000111.9L91 D92 I93 K99L91-S95 VanDerWaalsContact O-CB 3.31Å; L91-S95 WeakPolarHBondContact O-CB 3.36Å; L91-S95 PolarHBondContact O-N 3.14Å; D92-S95 WeakPolarHBondContact O-CB 3.34Å; D92-S95 PolarHBondContact O-N 2.7Å; I93-S95 VanDerWaalsContact C-N 3.29Å; I93-S95 PolarHBondContact O-N 2.89Å; S95-K99 VanDerWaalsContact O-CD 3.26Å; S95-K99 WeakPolarHBondContact O-CD 3.44Å; S95-K99 WeakPolarHBondContact O-CG 3.47Å; S95-K99 PolarHBondContact O-N 2.82Å; S95-K99 VanDerWaalsContact O-N 3.13Å; S95-K99 WeakPolarHBondContact OG-CE 3.48Å; S95-K99 PolarHBondContact OG-NZ 3.2Å
96A89.1Confident87.8Confident36 Ų3648.1 Ų48.130%0.29824%0.241SC..Hα-helixtrans-65.5-48.5174.300000112.4D92 I93 M94 L98 K99 E100 L190D92-A96 PolarHBondContact O-N 3.25Å; I93-A96 WeakPolarHBondContact O-CB 3.4Å; I93-A96 PolarHBondContact O-N 3.43Å; I93-A96 VanDerWaalsContact O-N 3.13Å; M94-A96 VanDerWaalsContact C-N 3.34Å; M94-A96 PolarHBondContact O-N 2.93Å; A96-L98 VanDerWaalsContact C-N 3.35Å; A96-L98 PolarHBondContact O-N 2.72Å; A96-K99 PolarHBondContact O-N 3.41Å; A96-E100 PolarHBondContact O-N 2.39Å; A96-L190 HydrophobicContact CB-CD1 4.41Å
97C87.8Confident86.7Confident5 Ų552.6 Ų52.63%0.03427%0.272CS..Hα-helixtrans-62-38.1178.5-680000112.8I93 M94 E100 L101 L145 L149I93-C97 PolarHBondContact O-N 2.96Å; I93-C97 PolarHBondContact O-SG 3.49Å; M94-C97 PolarHBondContact O-N 3.05Å; C97-E100 PolarHBondContact O-N 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.29Å; C97-L101 PolarHBondContact O-N 3.49Å; C97-L145 HydrophobicContact CB-CD2 4.11Å; C97-L149 HydrophobicContact CB-CD2 3.68Å; C97-L149 HydrophobicContact CB-CG 4Å
98L88Confident85.6Confident13 Ų1352.7 Ų52.77%0.06827%0.273CS..Hα-helixtrans-65.7-41.2174.3-72.1169.6000112.2M94 A96 L101 K102 L115 A118 F123 L149M94-L98 WeakPolarHBondContact O-CB 3.49Å; M94-L98 VanDerWaalsContact O-CG 3.26Å; M94-L98 WeakPolarHBondContact O-CG 3.49Å; M94-L98 PolarHBondContact O-N 2.83Å; A96-L98 VanDerWaalsContact C-N 3.35Å; A96-L98 PolarHBondContact O-N 2.72Å; L98-L101 PolarHBondContact O-N 3.14Å; L98-K102 WeakPolarHBondContact O-CB 3.45Å; L98-K102 PolarHBondContact O-N 3.03Å; L98-L115 HydrophobicContact CD1-CD1 4.19Å; L98-A118 HydrophobicContact CD1-CB 3.97Å; L98-F123 HydrophobicContact CD2-CE1 4.3Å; L98-F123 HydrophobicContact CD2-CZ 3.72Å; L98-L149 HydrophobicContact CD2-CD1 3.86Å; L98-L149 HydrophobicContact CD2-CD2 4.17Å; L98-L149 HydrophobicContact CG-CD1 4.46Å; L98-L149 HydrophobicContact CG-CD2 4.02Å
99K86.9Confident84.3Confident140 Ų14056.1 Ų56.161%0.60928%0.283SS*.Hα-helixtrans-63-41.4175.4-72.1160.8-173.21600111.7S95 A96 R103S95-K99 VanDerWaalsContact O-CD 3.26Å; S95-K99 WeakPolarHBondContact O-CD 3.44Å; S95-K99 WeakPolarHBondContact O-CG 3.47Å; S95-K99 PolarHBondContact O-N 2.82Å; S95-K99 VanDerWaalsContact O-N 3.13Å; S95-K99 WeakPolarHBondContact OG-CE 3.48Å; S95-K99 PolarHBondContact OG-NZ 3.2Å; A96-K99 PolarHBondContact O-N 3.41Å; K99-R103 WeakPolarHBondContact O-CB 3.44Å; K99-R103 PolarHBondContact O-N 2.9Å
100E86.3Confident82.8Confident61 Ų6158.5 Ų58.529%0.28530%0.303SS..Hα-helixtrans-65.2-46.5172.7-73.1-143.4140.200112.4A96 C97 K102 R103 Y104 K141 L145A96-E100 PolarHBondContact O-N 2.39Å; C97-E100 PolarHBondContact O-N 3.3Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 PolarHBondContact O-N 2.96Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-Y104 HydrophobicContact CB-CE2 4.36Å; E100-Y104 WeakPolarHBondContact O-CD2 3.46Å; E100-Y104 PolarHBondContact O-N 2.97Å; E100-K141 IonicContact OE1-NZ 2.87Å; E100-K141 PolarHBondContact OE1-NZ 3.29Å; E100-K141 WeakPolarHBondContact OE2-CE 3.2Å; E100-K141 IonicContact OE2-NZ 2.72Å; E100-K141 PolarHBondContact OE2-NZ 3.01Å; E100-L145 HydrophobicContact CB-CD1 3.88Å; E100-L145 HydrophobicContact CB-CD2 4.2Å
101L86.4Confident81.5Confident0 Ų066.5 Ų66.50%034%0.34CS..Hα-helixtrans-56.9-43.4179.5-17765.6000111.5C97 L98 Y104 N105 L108 L113 I127 T142 V146 L149C97-L101 WeakPolarHBondContact O-CB 3.29Å; C97-L101 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 3.14Å; L101-Y104 PolarHBondContact O-N 2.89Å; L101-N105 PolarHBondContact O-N 2.91Å; L101-N105 VanDerWaalsContact O-N 3.15Å; L101-N105 PolarHBondContact O-ND2 3.14Å; L101-L108 HydrophobicContact CG-CD1 4.45Å; L101-L113 HydrophobicContact CD2-CD2 4.3Å; L101-I127 HydrophobicContact CD2-CD1 4.29Å; L101-T142 HydrophobicContact CD1-CG2 3.89Å; L101-V146 HydrophobicContact CD1-CG2 4.1Å; L101-L149 HydrophobicContact CD2-CD1 3.83Å
102K84.6Confident80.4Confident88 Ų8867.6 Ų67.638%0.38335%0.346SS..Hα-helixtrans-67-35.2175.2-169.8169.1-175.41700112.8L98 E100 N105 A110 L113L98-K102 WeakPolarHBondContact O-CB 3.45Å; L98-K102 PolarHBondContact O-N 3.03Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 PolarHBondContact O-N 2.96Å; K102-N105 CarbonylContact O-C 3.58Å; K102-A110 VanDerWaalsContact NZ-CB 3.34Å; K102-A110 PolarHBondContact NZ-O 3.37Å; K102-L113 HydrophobicContact CB-CD1 4.21Å; K102-L113 HydrophobicContact CG-CD1 4.32Å
103R84.2Confident79.5Confident201 Ų20164.9 Ų64.976%0.75833%0.332SS*.Hα-helixtrans-66-36.9176-175.5-179.2-179.8-1741.5112.7K99 E100K99-R103 WeakPolarHBondContact O-CB 3.44Å; K99-R103 PolarHBondContact O-N 2.9Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.39Å
104Y80.2Confident79Confident106 Ų10666.7 Ų66.742%0.41634%0.344SS..Hα-helixtrans-83.2-22.4179-69.8-66.5000113.9E100 L101 K141 L145E100-Y104 HydrophobicContact CB-CE2 4.36Å; E100-Y104 WeakPolarHBondContact O-CD2 3.46Å; E100-Y104 PolarHBondContact O-N 2.97Å; L101-Y104 PolarHBondContact O-N 2.89Å; Y104-K141 HydrophobicContact CE2-CD 3.79Å; Y104-K141 HydrophobicContact CE2-CG 4.47Å; Y104-K141 PolarHBondContact OH-NZ 3.47Å; Y104-K141 VanDerWaalsContact OH-NZ 3.08Å; Y104-L145 HydrophobicContact CD2-CD1 4.11Å; Y104-L145 HydrophobicContact CE2-CD1 4.35Å
105N77.5Confident78.7Confident14 Ų1469.7 Ų69.78%0.07536%0.36CS..  trans-130.875.1-174-49.6-88.3000110.5L101 K102 S107 L108 L138 T142L101-N105 PolarHBondContact O-N 2.91Å; L101-N105 VanDerWaalsContact O-N 3.15Å; L101-N105 PolarHBondContact O-ND2 3.14Å; K102-N105 CarbonylContact O-C 3.58Å; N105-S107 PolarHBondContact O-N 2.88Å; N105-S107 VanDerWaalsContact O-N 3.12Å; N105-L108 HydrophobicContact CB-CD1 3.77Å; N105-L108 HydrophobicContact CB-CG 3.96Å; N105-L108 PolarHBondContact O-N 2.74Å; N105-L108 VanDerWaalsContact O-N 3.17Å; N105-L138 WeakPolarHBondContact OD1-CD2 3.48Å; N105-T142 WeakPolarHBondContact ND2-CG2 3.47Å
106P74.4Confident78.2Confident117 Ų11773.3 Ų73.376%0.7637%0.374SS*.THydrogen-bonded Turntrans-68.6-7.2-17829.8-36.8000114L108P106-L108 VanDerWaalsContact C-N 3.32Å
107S69.3Low77.8Confident93 Ų9373.5 Ų73.565%0.6537%0.37SS*.THydrogen-bonded Turntrans-79.8-7.8172.950.10000114.2N105N105-S107 PolarHBondContact O-N 2.88Å; N105-S107 VanDerWaalsContact O-N 3.12Å
108L71.8Confident77.6Confident20 Ų2073.2 Ų73.211%0.10537%0.368CS..SBendtrans-83.3128.4174.3-63.5176000110.3L101 N105 P106 L113 Y130 L131L101-L108 HydrophobicContact CG-CD1 4.45Å; N105-L108 HydrophobicContact CB-CD1 3.77Å; N105-L108 HydrophobicContact CB-CG 3.96Å; N105-L108 PolarHBondContact O-N 2.74Å; N105-L108 VanDerWaalsContact O-N 3.17Å; P106-L108 VanDerWaalsContact C-N 3.32Å; L108-L113 HydrophobicContact CB-CD1 3.6Å; L108-L113 HydrophobicContact CB-CG 4.43Å; L108-L113 HydrophobicContact CD1-CD1 3.91Å; L108-L113 HydrophobicContact CG-CD1 4.42Å; L108-Y130 HydrophobicContact CD2-CG 4.2Å; L108-L131 HydrophobicContact CD1-CD2 4.25Å; L108-L131 HydrophobicContact CD2-CD2 3.95Å
109E65.3Low77.3Confident130 Ų13073.9 Ų73.961%0.60737%0.371SS*.  trans-60.9139.6-177.5-68.1-174.4168.400112.2E111E109-E111 VanDerWaalsContact C-N 3.28Å; E109-E111 PolarHBondContact O-N 3.08Å
110A61Low76.8Confident61 Ų6168.1 Ų68.150%0.50435%0.352SS..THydrogen-bonded Turntrans-70.8-22-165.100000114.5K102K102-A110 VanDerWaalsContact NZ-CB 3.34Å; K102-A110 PolarHBondContact NZ-O 3.37Å
111E64.1Low76.2Confident168 Ų16870.2 Ų70.279%0.78537%0.365SS*.THydrogen-bonded Turntrans-89-40-171.7-56.7-172.1-179.400112E109 L113 S114 N117E109-E111 VanDerWaalsContact C-N 3.28Å; E109-E111 PolarHBondContact O-N 3.08Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.45Å; E111-S114 PolarHBondContact O-N 3.12Å; E111-N117 PolarHBondContact O-ND2 3.17Å
112D68.3Low75.5Confident57 Ų5772.1 Ų72.131%0.30539%0.385SS..THydrogen-bonded Turntrans-65.3-30.1177.5-99.417000112.7S114 N117 T126 Y130D112-S114 PolarHBondContact O-N 3.23Å; D112-S114 VanDerWaalsContact O-N 3.15Å; D112-N117 VanDerWaalsContact O-CB 3.29Å; D112-N117 WeakPolarHBondContact O-CB 3.26Å; D112-N117 PolarHBondContact O-ND2 3.23Å; D112-T126 HydrophobicContact CB-CG2 4.43Å; D112-T126 WeakPolarHBondContact OD2-CG2 3.4Å; D112-Y130 PolarHBondContact OD2-OH 3.08Å
113L73.6Confident75.3Confident22 Ų2268.4 Ų68.412%0.11537%0.369CS..THydrogen-bonded Turntrans-81.527.3177.2-68.8177.8000114.7L101 K102 L108 E111 F123L101-L113 HydrophobicContact CD2-CD2 4.3Å; K102-L113 HydrophobicContact CB-CD1 4.21Å; K102-L113 HydrophobicContact CG-CD1 4.32Å; L108-L113 HydrophobicContact CB-CD1 3.6Å; L108-L113 HydrophobicContact CB-CG 4.43Å; L108-L113 HydrophobicContact CD1-CD1 3.91Å; L108-L113 HydrophobicContact CG-CD1 4.42Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.45Å; L113-F123 HydrophobicContact CD2-CE2 4.38Å; L113-F123 HydrophobicContact CD2-CZ 4.3Å
114S80.9Confident75Confident38 Ų3861 Ų6127%0.26634%0.343SS..  trans-75.4155.7174.1770000112.6E111 D112 E116 N117 A118E111-S114 PolarHBondContact O-N 3.12Å; D112-S114 PolarHBondContact O-N 3.23Å; D112-S114 VanDerWaalsContact O-N 3.15Å; S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.3Å; S114-N117 PolarHBondContact O-N 3.27Å; S114-N117 VanDerWaalsContact OG-CB 3.31Å; S114-N117 WeakPolarHBondContact OG-CB 3.47Å; S114-N117 PolarHBondContact OG-N 3.21Å; S114-N117 VanDerWaalsContact OG-N 3.08Å; S114-N117 PolarHBondContact OG-ND2 2.85Å; S114-A118 WeakPolarHBondContact O-CB 3.46Å; S114-A118 PolarHBondContact O-N 3.1Å
115L82.6Confident75Confident63 Ų6363.4 Ų63.433%0.3336%0.355SS..Hα-helixtrans-65.3-33.1175.4-175.263000111.8L91 M94 L98 A118 L119L91-L115 HydrophobicContact CD2-CD1 4.36Å; M94-L115 HydrophobicContact CB-CD1 4.22Å; M94-L115 HydrophobicContact CE-CD1 4.4Å; L98-L115 HydrophobicContact CD1-CD1 4.19Å; L115-A118 PolarHBondContact O-N 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 2.69Å
116E80.1Confident75.1Confident106 Ų10664.8 Ų64.850%0.49537%0.365SS..Hα-helixtrans-65.1-48.6176-59.3-170.2155.800111.3S114 A118 L119 G120S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.3Å; E116-A118 VanDerWaalsContact C-N 3.26Å; E116-A118 PolarHBondContact O-N 2.73Å; E116-L119 PolarHBondContact O-N 3.29Å; E116-L119 VanDerWaalsContact O-N 3.14Å; E116-G120 PolarHBondContact O-N 3.11Å
117N81.1Confident75.4Confident40 Ų4060 Ų6021%0.21433%0.332CS..Hα-helixtrans-60.4-38.1175-72-27.1000111.2E111 D112 S114 L119 G120 F123E111-N117 PolarHBondContact O-ND2 3.17Å; D112-N117 VanDerWaalsContact O-CB 3.29Å; D112-N117 WeakPolarHBondContact O-CB 3.26Å; D112-N117 PolarHBondContact O-ND2 3.23Å; S114-N117 PolarHBondContact O-N 3.27Å; S114-N117 VanDerWaalsContact OG-CB 3.31Å; S114-N117 WeakPolarHBondContact OG-CB 3.47Å; S114-N117 PolarHBondContact OG-N 3.21Å; S114-N117 VanDerWaalsContact OG-N 3.08Å; S114-N117 PolarHBondContact OG-ND2 2.85Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 PolarHBondContact O-N 3.17Å; N117-G120 PolarHBondContact O-N 2.72Å; N117-F123 HydrophobicContact CB-CD2 4.46Å; N117-F123 WeakPolarHBondContact O-CB 3.48Å
118A82.4Confident75.8Confident0 Ų060.9 Ų60.90%032%0.322CS..Hα-helixtrans-62.6-28.917700000114.1M94 L98 S114 L115 E116 G120 F123 R153M94-A118 HydrophobicContact CE-CB 4.15Å; L98-A118 HydrophobicContact CD1-CB 3.97Å; S114-A118 WeakPolarHBondContact O-CB 3.46Å; S114-A118 PolarHBondContact O-N 3.1Å; L115-A118 PolarHBondContact O-N 3.2Å; E116-A118 VanDerWaalsContact C-N 3.26Å; E116-A118 PolarHBondContact O-N 2.73Å; A118-G120 VanDerWaalsContact C-N 3.35Å; A118-F123 HydrophobicContact CB-CD1 4.13Å; A118-F123 HydrophobicContact CB-CD2 4.37Å; A118-F123 HydrophobicContact CB-CE1 3.83Å; A118-F123 HydrophobicContact CB-CE2 4.11Å; A118-F123 HydrophobicContact CB-CG 4.38Å; A118-F123 HydrophobicContact CB-CZ 3.83Å; A118-R153 VanDerWaalsContact O-CD 3.3Å; A118-R153 WeakPolarHBondContact O-CD 3.48Å; A118-R153 PolarHBondContact O-NE 3.11Å
119L82.1Confident76.1Confident26 Ų2666.8 Ų66.814%0.13635%0.348CS..Hα-helixtrans-75.3-24.5172.3-65.2175000112.7L91 M94 L115 E116 N117 L156 T456 Q459L91-L119 HydrophobicContact CD2-CD2 4.02Å; M94-L119 HydrophobicContact CE-CD2 4.45Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 2.69Å; E116-L119 PolarHBondContact O-N 3.29Å; E116-L119 VanDerWaalsContact O-N 3.14Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 PolarHBondContact O-N 3.17Å; L119-L156 HydrophobicContact CD2-CD2 3.37Å; L119-T456 HydrophobicContact CD1-CG2 4.28Å; L119-T456 HydrophobicContact CD2-CG2 4.24Å; L119-Q459 HydrophobicContact CD1-CG 4.25Å
120G76.7Confident76.7Confident20 Ų2064.7 Ų64.721%0.20634%0.335CS..SBendtrans-67144.6179.200000113.5E116 N117 A118 G122 F123 R153E116-G120 PolarHBondContact O-N 3.11Å; N117-G120 PolarHBondContact O-N 2.72Å; A118-G120 VanDerWaalsContact C-N 3.35Å; G120-G122 PolarHBondContact O-N 2.75Å; G120-F123 WeakPolarHBondContact O-CB 3.3Å; G120-F123 PolarHBondContact O-N 2.83Å; G120-R153 PolarHBondContact O-NH2 2.92Å
121N72.8Confident77.4Confident104 Ų10461.9 Ų61.956%0.55631%0.312SS*.THydrogen-bonded Turntrans-61.9-26.5179.6-67.6-17.4000113F123N121-F123 VanDerWaalsContact C-N 3.35Å; N121-F123 PolarHBondContact O-N 2.81Å
122G72.3Confident77.9Confident41 Ų4157.8 Ų57.842%0.42330%0.295SS..THydrogen-bonded Turntrans-70.1-24.7-178.700000115G120 E124 K125 T126G120-G122 PolarHBondContact O-N 2.75Å; G122-E124 VanDerWaalsContact C-N 3.3Å; G122-E124 PolarHBondContact O-N 2.86Å; G122-E124 VanDerWaalsContact O-N 3.11Å; G122-K125 WeakPolarHBondContact O-CA 3.49Å; G122-K125 WeakPolarHBondContact O-CB 3.29Å; G122-K125 PolarHBondContact O-N 3.1Å; G122-T126 PolarHBondContact O-N 3.36Å
123F80.8Confident78Confident9 Ų957.8 Ų57.84%0.03930%0.298CS..Hα-helixtrans-52.7-39.7-167.6-170.1-118.2000115.2L98 L113 N117 A118 G120 N121 K125 T126 I127L98-F123 HydrophobicContact CD2-CE1 4.3Å; L98-F123 HydrophobicContact CD2-CZ 3.72Å; L113-F123 HydrophobicContact CD2-CE2 4.38Å; L113-F123 HydrophobicContact CD2-CZ 4.3Å; N117-F123 HydrophobicContact CB-CD2 4.46Å; N117-F123 WeakPolarHBondContact O-CB 3.48Å; A118-F123 HydrophobicContact CB-CD1 4.13Å; A118-F123 HydrophobicContact CB-CD2 4.37Å; A118-F123 HydrophobicContact CB-CE1 3.83Å; A118-F123 HydrophobicContact CB-CE2 4.11Å; A118-F123 HydrophobicContact CB-CG 4.38Å; A118-F123 HydrophobicContact CB-CZ 3.83Å; G120-F123 WeakPolarHBondContact O-CB 3.3Å; G120-F123 PolarHBondContact O-N 2.83Å; N121-F123 VanDerWaalsContact C-N 3.35Å; N121-F123 PolarHBondContact O-N 2.81Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 3.08Å; F123-T126 WeakPolarHBondContact O-CB 3.43Å; F123-T126 PolarHBondContact O-N 3.48Å; F123-I127 HydrophobicContact CD1-CD1 3.9Å; F123-I127 HydrophobicContact CD1-CG1 4.49Å; F123-I127 HydrophobicContact CE1-CD1 3.31Å; F123-I127 HydrophobicContact CE1-CG1 4.19Å; F123-I127 HydrophobicContact CE2-CD1 4.23Å; F123-I127 HydrophobicContact CE2-CG1 4.38Å; F123-I127 HydrophobicContact CZ-CD1 3.51Å; F123-I127 HydrophobicContact CZ-CG1 4.13Å; F123-I127 PolarHBondContact O-N 3.28Å
124E77.6Confident77.8Confident46 Ų4659 Ų5922%0.21531%0.305CS..Hα-helixtrans-68.3-29.5179.8-162.8-175.2150.900112.3G122 R128 K150G122-E124 VanDerWaalsContact C-N 3.3Å; G122-E124 PolarHBondContact O-N 2.86Å; G122-E124 VanDerWaalsContact O-N 3.11Å; E124-R128 WeakPolarHBondContact O-CB 3.46Å; E124-R128 WeakPolarHBondContact O-CG 3.32Å; E124-R128 PolarHBondContact O-N 3.35Å; E124-R128 VanDerWaalsContact O-N 3.08Å; E124-R128 IonicContact OE1-CZ 3.98Å; E124-R128 IonicContact OE1-NE 3.68Å; E124-R128 IonicContact OE1-NH2 3.61Å; E124-R128 PolarHBondContact OE1-NH2 3.28Å; E124-K150 WeakPolarHBondContact OE1-CE 3.43Å; E124-K150 IonicContact OE1-NZ 2.68Å; E124-K150 PolarHBondContact OE1-NZ 2.81Å; E124-K150 WeakPolarHBondContact OE2-CE 3.5Å; E124-K150 IonicContact OE2-NZ 2.69Å
125K80.1Confident77.6Confident156 Ų15661.3 Ų61.368%0.67831%0.308SS*.Hα-helixtrans-74.2-40.3174.3-60.8-176.5179.3-177.90110.9G122 F123 R128 H129G122-K125 WeakPolarHBondContact O-CA 3.49Å; G122-K125 WeakPolarHBondContact O-CB 3.29Å; G122-K125 PolarHBondContact O-N 3.1Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 3.08Å; K125-R128 PolarHBondContact O-N 3.3Å; K125-H129 WeakPolarHBondContact O-CB 3.45Å; K125-H129 PolarHBondContact O-N 3.28Å
126T79.7Confident77Confident44 Ų4461.8 Ų61.827%0.2731%0.308SS..Hα-helixtrans-60.1-51.6173.5-56.60000111.2D112 G122 F123 R128 H129 Y130D112-T126 HydrophobicContact CB-CG2 4.43Å; D112-T126 WeakPolarHBondContact OD2-CG2 3.4Å; G122-T126 PolarHBondContact O-N 3.36Å; F123-T126 WeakPolarHBondContact O-CB 3.43Å; F123-T126 PolarHBondContact O-N 3.48Å; T126-R128 PolarHBondContact O-N 3.39Å; T126-H129 PolarHBondContact O-N 3.08Å; T126-Y130 HydrophobicContact CG2-CD2 3.88Å; T126-Y130 HydrophobicContact CG2-CE2 3.51Å; T126-Y130 VanDerWaalsContact O-CD2 3.22Å; T126-Y130 WeakPolarHBondContact O-CD2 3.49Å; T126-Y130 PolarHBondContact O-N 2.98Å; T126-Y130 VanDerWaalsContact O-N 3.13Å
127I80.6Confident76.6Confident15 Ų1562.2 Ų62.28%0.07731%0.31CS..Hα-helixtrans-57.4-47.5176-78.5-172.1000111.4L101 F123 H129 Y130 L131 V146L101-I127 HydrophobicContact CD2-CD1 4.29Å; F123-I127 HydrophobicContact CD1-CD1 3.9Å; F123-I127 HydrophobicContact CD1-CG1 4.49Å; F123-I127 HydrophobicContact CE1-CD1 3.31Å; F123-I127 HydrophobicContact CE1-CG1 4.19Å; F123-I127 HydrophobicContact CE2-CD1 4.23Å; F123-I127 HydrophobicContact CE2-CG1 4.38Å; F123-I127 HydrophobicContact CZ-CD1 3.51Å; F123-I127 HydrophobicContact CZ-CG1 4.13Å; F123-I127 PolarHBondContact O-N 3.28Å; I127-H129 PolarHBondContact O-N 3.12Å; I127-Y130 PolarHBondContact O-N 3.03Å; I127-L131 HydrophobicContact CG2-CD1 3.78Å; I127-L131 HydrophobicContact CG2-CG 4.28Å; I127-L131 VanDerWaalsContact O-CB 3.27Å; I127-L131 WeakPolarHBondContact O-CB 3.37Å; I127-L131 WeakPolarHBondContact O-CG 3.2Å; I127-L131 PolarHBondContact O-N 3.37Å; I127-V146 HydrophobicContact CG2-CG1 3.87Å; I127-V146 HydrophobicContact CG2-CG2 4.22Å
128R79Confident76.3Confident113 Ų11361.1 Ų61.143%0.42630%0.304SS..Hα-helixtrans-62.3-42.1177.1-80.6-166.5-111.1143.1-9.3112.4E124 K125 T126 Y130 L131 D132E124-R128 WeakPolarHBondContact O-CB 3.46Å; E124-R128 WeakPolarHBondContact O-CG 3.32Å; E124-R128 PolarHBondContact O-N 3.35Å; E124-R128 VanDerWaalsContact O-N 3.08Å; E124-R128 IonicContact OE1-CZ 3.98Å; E124-R128 IonicContact OE1-NE 3.68Å; E124-R128 IonicContact OE1-NH2 3.61Å; E124-R128 PolarHBondContact OE1-NH2 3.28Å; K125-R128 PolarHBondContact O-N 3.3Å; T126-R128 PolarHBondContact O-N 3.39Å; R128-Y130 VanDerWaalsContact C-N 3.29Å; R128-Y130 PolarHBondContact O-N 3.47Å; R128-L131 PolarHBondContact O-N 3.06Å; R128-D132 WeakPolarHBondContact O-CB 3.41Å; R128-D132 PolarHBondContact O-N 3.29Å
129H77.1Confident76.1Confident144 Ų14463.2 Ų63.267%0.66733%0.326SS*.Hα-helixtrans-58.4-39.7177.9-173.244.5000113.1K125 T126 I127 P133K125-H129 WeakPolarHBondContact O-CB 3.45Å; K125-H129 PolarHBondContact O-N 3.28Å; T126-H129 PolarHBondContact O-N 3.08Å; I127-H129 PolarHBondContact O-N 3.12Å; H129-P133 WeakPolarHBondContact O-CD 3.39Å; H129-P133 WeakPolarHBondContact O-CG 3.47Å
130Y77.1Confident76Confident85 Ų8566 Ų6633%0.33335%0.352SS..Hα-helixtrans-80.6-34.6176.7-66.6-57.5000114.2L108 D112 T126 I127 R128L108-Y130 HydrophobicContact CD2-CG 4.2Å; D112-Y130 PolarHBondContact OD2-OH 3.08Å; T126-Y130 HydrophobicContact CG2-CD2 3.88Å; T126-Y130 HydrophobicContact CG2-CE2 3.51Å; T126-Y130 VanDerWaalsContact O-CD2 3.22Å; T126-Y130 WeakPolarHBondContact O-CD2 3.49Å; T126-Y130 PolarHBondContact O-N 2.98Å; T126-Y130 VanDerWaalsContact O-N 3.13Å; I127-Y130 PolarHBondContact O-N 3.03Å; R128-Y130 VanDerWaalsContact C-N 3.29Å; R128-Y130 PolarHBondContact O-N 3.47Å
131L77.3Confident76.3Confident3 Ų368.6 Ų68.62%0.01636%0.358CS..Hα-helixtrans-98.2-30.8-171.3-64.3-169.8000114.8L108 I127 R128 P133 L134 W135 L138 V146L108-L131 HydrophobicContact CD1-CD2 4.25Å; L108-L131 HydrophobicContact CD2-CD2 3.95Å; I127-L131 HydrophobicContact CG2-CD1 3.78Å; I127-L131 HydrophobicContact CG2-CG 4.28Å; I127-L131 VanDerWaalsContact O-CB 3.27Å; I127-L131 WeakPolarHBondContact O-CB 3.37Å; I127-L131 WeakPolarHBondContact O-CG 3.2Å; I127-L131 PolarHBondContact O-N 3.37Å; R128-L131 PolarHBondContact O-N 3.06Å; L131-P133 VanDerWaalsContact C-CD 3.43Å; L131-P133 VanDerWaalsContact C-N 3.33Å; L131-L134 CarbonylContact O-C 3.13Å; L131-L134 PolarHBondContact O-N 3.45Å; L131-W135 HydrophobicContact CB-CE3 4.02Å; L131-W135 HydrophobicContact CB-CZ3 4.19Å; L131-W135 HydrophobicContact CD1-CZ3 4.43Å; L131-W135 WeakPolarHBondContact O-CA 3.13Å; L131-W135 PolarHBondContact O-N 2.9Å; L131-L138 HydrophobicContact CB-CD1 3.92Å; L131-L138 HydrophobicContact CD1-CD1 4.15Å; L131-L138 HydrophobicContact CD2-CD1 3.93Å; L131-L138 HydrophobicContact CG-CD1 4.22Å; L131-V146 HydrophobicContact CD1-CG2 3.55Å
132D74Confident76.8Confident81 Ų8164 Ų6443%0.43333%0.334SS..G310 helixtrans-53.5-44.2176.7-65.5-3.4000111.6R128 L134 W135R128-D132 WeakPolarHBondContact O-CB 3.41Å; R128-D132 PolarHBondContact O-N 3.29Å; D132-L134 PolarHBondContact O-N 3.32Å; D132-L134 VanDerWaalsContact O-N 3.12Å; D132-W135 WeakPolarHBondContact O-CB 3.46Å; D132-W135 PolarHBondContact O-N 2.89Å; D132-W135 VanDerWaalsContact O-N 3.16Å
133P70.1Confident77.3Confident57 Ų5765 Ų6537%0.3733%0.327SS..G310 helixtrans-70.3-7.5-179.7-16.932.1000115.1H129 L131 K607H129-P133 WeakPolarHBondContact O-CD 3.39Å; H129-P133 WeakPolarHBondContact O-CG 3.47Å; L131-P133 VanDerWaalsContact C-CD 3.43Å; L131-P133 VanDerWaalsContact C-N 3.33Å; P133-K607 VanDerWaalsContact O-CE 3.3Å; P133-K607 WeakPolarHBondContact O-CE 3.45Å
134L70.3Confident77.5Confident49 Ų4965.4 Ų65.426%0.25733%0.332SS..G310 helixtrans-1211.8175.9-63.3176.8000112.1L131 D132 H136 Q137 L138 K607L131-L134 CarbonylContact O-C 3.13Å; L131-L134 PolarHBondContact O-N 3.45Å; D132-L134 PolarHBondContact O-N 3.32Å; D132-L134 VanDerWaalsContact O-N 3.12Å; L134-H136 PolarHBondContact O-N 2.9Å; L134-Q137 WeakPolarHBondContact O-CA 3.21Å; L134-Q137 WeakPolarHBondContact O-CB 2.83Å; L134-Q137 PolarHBondContact O-N 3.39Å; L134-L138 HydrophobicContact CB-CD2 4.46Å; L134-L138 PolarHBondContact O-N 3.43Å; L134-K607 HydrophobicContact CD2-CD 3.86Å
135W75.5Confident77.9Confident85 Ų8563.2 Ų63.232%0.32232%0.322SS..THydrogen-bonded Turntrans-57-34.1-162.1-167.7-106.4000113.5L131 D132 L138 K143 V146L131-W135 HydrophobicContact CB-CE3 4.02Å; L131-W135 HydrophobicContact CB-CZ3 4.19Å; L131-W135 HydrophobicContact CD1-CZ3 4.43Å; L131-W135 WeakPolarHBondContact O-CA 3.13Å; L131-W135 PolarHBondContact O-N 2.9Å; D132-W135 WeakPolarHBondContact O-CB 3.46Å; D132-W135 PolarHBondContact O-N 2.89Å; D132-W135 VanDerWaalsContact O-N 3.16Å; W135-L138 HydrophobicContact CE3-CD1 3.79Å; W135-L138 HydrophobicContact CZ3-CD1 4.28Å; W135-L138 PolarHBondContact O-N 3.28Å; W135-K143 HydrophobicContact CH2-CG 4.14Å; W135-K143 HydrophobicContact CZ2-CB 4.34Å; W135-K143 HydrophobicContact CZ2-CG 3.85Å; W135-K143 WeakPolarHBondContact O-CE 3.29Å; W135-K143 PolarHBondContact O-NZ 2.93Å; W135-V146 HydrophobicContact CH2-CB 4.44Å; W135-V146 HydrophobicContact CH2-CG1 4.19Å; W135-V146 HydrophobicContact CZ3-CG1 4.4Å
136H71.4Confident78.2Confident73 Ų7356.9 Ų56.934%0.33830%0.296SS..THydrogen-bonded Turntrans-70.4-29.9178.3-64.6-95.1000113.3L134 S572 I575L134-H136 PolarHBondContact O-N 2.9Å; H136-S572 VanDerWaalsContact CD2-CB 3.48Å; H136-S572 WeakPolarHBondContact CD2-CB 3.47Å; H136-I575 HydrophobicContact CB-CB 4.44Å; H136-I575 HydrophobicContact CB-CD1 4.28Å; H136-I575 HydrophobicContact CB-CG2 4.17Å
137Q70.6Confident78.4Confident116 Ų11660 Ų6054%0.54231%0.307SS..THydrogen-bonded Turntrans-81.7-22176.2-64.1177.9-20.300112.7L134 G139L134-Q137 WeakPolarHBondContact O-CA 3.21Å; L134-Q137 WeakPolarHBondContact O-CB 2.83Å; L134-Q137 PolarHBondContact O-N 3.39Å; Q137-G139 PolarHBondContact O-N 3Å
138L76Confident78.7Confident16 Ų1659.7 Ų59.78%0.08431%0.306CS..SBendtrans-66.4125.3179.2-58.8-179.3000111.7N105 L131 L134 W135 T142 K143N105-L138 WeakPolarHBondContact OD1-CD2 3.48Å; L131-L138 HydrophobicContact CB-CD1 3.92Å; L131-L138 HydrophobicContact CD1-CD1 4.15Å; L131-L138 HydrophobicContact CD2-CD1 3.93Å; L131-L138 HydrophobicContact CG-CD1 4.22Å; L134-L138 HydrophobicContact CB-CD2 4.46Å; L134-L138 PolarHBondContact O-N 3.43Å; W135-L138 HydrophobicContact CE3-CD1 3.79Å; W135-L138 HydrophobicContact CZ3-CD1 4.28Å; W135-L138 PolarHBondContact O-N 3.28Å; L138-T142 HydrophobicContact CB-CG2 4.32Å; L138-T142 HydrophobicContact CD1-CG2 4.1Å; L138-T142 HydrophobicContact CD2-CG2 4.28Å; L138-T142 HydrophobicContact CG-CG2 4.46Å; L138-K143 HydrophobicContact CB-CG 4.46Å; L138-K143 WeakPolarHBondContact O-CE 3.36Å; L138-K143 PolarHBondContact O-NZ 2.84Å
139G77.4Confident79.1Confident45 Ų4554.4 Ų54.446%0.46429%0.286SS..  trans-61.7157.4174.300000113.2Q137 K141 T142 K143Q137-G139 PolarHBondContact O-N 3Å; G139-K141 VanDerWaalsContact C-N 3.26Å; G139-K141 PolarHBondContact O-N 3.07Å; G139-T142 PolarHBondContact O-N 2.79Å; G139-K143 PolarHBondContact O-N 2.87Å
140A79.9Confident79.6Confident83 Ų8351.1 Ų51.169%0.68627%0.27SS*.Hα-helixtrans-55.2-37-17500000113.7T142 K143 A144A140-T142 PolarHBondContact O-N 2.99Å; A140-K143 PolarHBondContact O-N 3.4Å; A140-A144 PolarHBondContact O-N 3.42Å
141K82.6Confident80.2Confident75 Ų7548.8 Ų48.833%0.32627%0.265SS..Hα-helixtrans-63.4-39.1177.7-170.7174.9176.9-171.50112.8E100 Y104 G139 A144 L145E100-K141 IonicContact OE1-NZ 2.87Å; E100-K141 PolarHBondContact OE1-NZ 3.29Å; E100-K141 WeakPolarHBondContact OE2-CE 3.2Å; E100-K141 IonicContact OE2-NZ 2.72Å; E100-K141 PolarHBondContact OE2-NZ 3.01Å; Y104-K141 HydrophobicContact CE2-CD 3.79Å; Y104-K141 HydrophobicContact CE2-CG 4.47Å; Y104-K141 PolarHBondContact OH-NZ 3.47Å; Y104-K141 VanDerWaalsContact OH-NZ 3.08Å; G139-K141 VanDerWaalsContact C-N 3.26Å; G139-K141 PolarHBondContact O-N 3.07Å; K141-A144 PolarHBondContact O-N 3.17Å; K141-L145 HydrophobicContact CG-CD1 4.24Å; K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 WeakPolarHBondContact O-CG 3.49Å; K141-L145 PolarHBondContact O-N 2.83Å
142T83.1Confident80.7Confident9 Ų948.7 Ų48.76%0.05526%0.264CS..Hα-helixtrans-63.2-42.7175.4-58.50000111.2L101 N105 L138 G139 A140 L145 V146L101-T142 HydrophobicContact CD1-CG2 3.89Å; N105-T142 WeakPolarHBondContact ND2-CG2 3.47Å; L138-T142 HydrophobicContact CB-CG2 4.32Å; L138-T142 HydrophobicContact CD1-CG2 4.1Å; L138-T142 HydrophobicContact CD2-CG2 4.28Å; L138-T142 HydrophobicContact CG-CG2 4.46Å; G139-T142 PolarHBondContact O-N 2.79Å; A140-T142 PolarHBondContact O-N 2.99Å; T142-L145 PolarHBondContact O-N 2.69Å; T142-V146 WeakPolarHBondContact O-CG2 3.48Å; T142-V146 PolarHBondContact O-N 3.12Å; T142-V146 VanDerWaalsContact O-N 3.08Å
143K83.6Confident81.5Confident61 Ų6146.7 Ų46.727%0.26525%0.25SS..Hα-helixtrans-63.5-42.1177-70.3167.6169.6142.90112W135 L138 G139 A140 V146 Q147W135-K143 HydrophobicContact CH2-CG 4.14Å; W135-K143 HydrophobicContact CZ2-CB 4.34Å; W135-K143 HydrophobicContact CZ2-CG 3.85Å; W135-K143 WeakPolarHBondContact O-CE 3.29Å; W135-K143 PolarHBondContact O-NZ 2.93Å; L138-K143 HydrophobicContact CB-CG 4.46Å; L138-K143 WeakPolarHBondContact O-CE 3.36Å; L138-K143 PolarHBondContact O-NZ 2.84Å; G139-K143 PolarHBondContact O-N 2.87Å; A140-K143 PolarHBondContact O-N 3.4Å; K143-V146 PolarHBondContact O-N 3.35Å; K143-Q147 PolarHBondContact O-N 2.95Å
144A84.6Confident82.3Confident18 Ų1846.7 Ų46.715%0.14925%0.249CC..Hα-helixtrans-61.2-49.9173.300000111.7A140 K141 V146 Q147 D148A140-A144 PolarHBondContact O-N 3.42Å; K141-A144 PolarHBondContact O-N 3.17Å; A144-V146 VanDerWaalsContact C-N 3.3Å; A144-V146 PolarHBondContact O-N 3.14Å; A144-Q147 CarbonylContact O-C 3.45Å; A144-Q147 PolarHBondContact O-N 2.9Å; A144-Q147 VanDerWaalsContact O-N 3.08Å; A144-D148 WeakPolarHBondContact O-CB 2.92Å; A144-D148 PolarHBondContact O-N 2.68Å
145L86.1Confident83.3Confident0 Ų044.5 Ų44.50%024%0.237CC..Hα-helixtrans-55.7-39.7177.9-77.8166.3000113.3C97 E100 Y104 K141 T142 D148 L149C97-L145 HydrophobicContact CB-CD2 4.11Å; E100-L145 HydrophobicContact CB-CD1 3.88Å; E100-L145 HydrophobicContact CB-CD2 4.2Å; Y104-L145 HydrophobicContact CD2-CD1 4.11Å; Y104-L145 HydrophobicContact CE2-CD1 4.35Å; K141-L145 HydrophobicContact CG-CD1 4.24Å; K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 WeakPolarHBondContact O-CG 3.49Å; K141-L145 PolarHBondContact O-N 2.83Å; T142-L145 PolarHBondContact O-N 2.69Å; L145-D148 PolarHBondContact O-N 2.84Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 2.89Å
146V86.1Confident84Confident22 Ų2240.8 Ų40.813%0.13322%0.224CC..Hα-helixtrans-65.9-42.9176.3170.30000111.6L101 I127 L131 W135 T142 K143 A144 K150L101-V146 HydrophobicContact CD1-CG2 4.1Å; I127-V146 HydrophobicContact CG2-CG1 3.87Å; I127-V146 HydrophobicContact CG2-CG2 4.22Å; L131-V146 HydrophobicContact CD1-CG2 3.55Å; W135-V146 HydrophobicContact CH2-CB 4.44Å; W135-V146 HydrophobicContact CH2-CG1 4.19Å; W135-V146 HydrophobicContact CZ3-CG1 4.4Å; T142-V146 WeakPolarHBondContact O-CG2 3.48Å; T142-V146 PolarHBondContact O-N 3.12Å; T142-V146 VanDerWaalsContact O-N 3.08Å; K143-V146 PolarHBondContact O-N 3.35Å; A144-V146 VanDerWaalsContact C-N 3.3Å; A144-V146 PolarHBondContact O-N 3.14Å; V146-K150 PolarHBondContact O-N 2.81Å
147Q85.3Confident84.8Confident109 Ų10939.5 Ų39.551%0.50922%0.219SC..Hα-helixtrans-69-37.6176.4179.862.68.100112K143 A144 K150 V151K143-Q147 PolarHBondContact O-N 2.95Å; A144-Q147 CarbonylContact O-C 3.45Å; A144-Q147 PolarHBondContact O-N 2.9Å; A144-Q147 VanDerWaalsContact O-N 3.08Å; Q147-K150 WeakPolarHBondContact O-CB 3.34Å; Q147-K150 PolarHBondContact O-N 2.59Å; Q147-V151 WeakPolarHBondContact O-CG2 3.39Å; Q147-V151 PolarHBondContact O-N 2.8Å
148D86.5Confident85.7Confident9 Ų937.1 Ų37.15%0.04821%0.206CC..Hα-helixtrans-65.9-43.5176.3-77.5-45.6000111.6A144 L145 K150 V151 L152 N184 S185 W187A144-D148 WeakPolarHBondContact O-CB 2.92Å; A144-D148 PolarHBondContact O-N 2.68Å; L145-D148 PolarHBondContact O-N 2.84Å; D148-K150 PolarHBondContact O-N 2.87Å; D148-V151 PolarHBondContact O-N 3.28Å; D148-V151 VanDerWaalsContact O-N 3.14Å; D148-L152 WeakPolarHBondContact O-CB 3.47Å; D148-L152 WeakPolarHBondContact O-CD1 3.35Å; D148-L152 VanDerWaalsContact O-CG 3.27Å; D148-L152 WeakPolarHBondContact O-CG 3.34Å; D148-L152 PolarHBondContact O-N 2.75Å; D148-N184 PolarHBondContact OD1-ND2 3.3Å; D148-N184 PolarHBondContact OD2-OD1 2.91Å; D148-S185 VanDerWaalsContact OD2-CB 3.26Å; D148-S185 WeakPolarHBondContact OD2-CB 3.47Å; D148-S185 PolarHBondContact OD2-N 3.21Å; D148-S185 PolarHBondContact OD2-OG 2.77Å; D148-W187 PolarHBondContact OD1-NE1 3.07Å
149L87.3Confident86.3Confident2 Ų236.4 Ų36.41%0.0120%0.202CC..Hα-helixtrans-59.4-34.2171.8-76.3169.9000112.4M94 C97 L98 L101 L145 R153M94-L149 HydrophobicContact CG-CD2 4.48Å; C97-L149 HydrophobicContact CB-CD2 3.68Å; C97-L149 HydrophobicContact CB-CG 4Å; L98-L149 HydrophobicContact CD2-CD1 3.86Å; L98-L149 HydrophobicContact CD2-CD2 4.17Å; L98-L149 HydrophobicContact CG-CD1 4.46Å; L98-L149 HydrophobicContact CG-CD2 4.02Å; L101-L149 HydrophobicContact CD2-CD1 3.83Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 2.89Å; L149-R153 WeakPolarHBondContact O-CB 3.38Å; L149-R153 WeakPolarHBondContact O-CD 3.45Å; L149-R153 WeakPolarHBondContact O-CG 3.36Å; L149-R153 PolarHBondContact O-N 3.37Å; L149-R153 VanDerWaalsContact O-N 3.14Å
150K87.4Confident86.8Confident76 Ų7634.6 Ų34.633%0.3318%0.182SC..Hα-helixtrans-67-45.7173.1-177.2174.8-177.8164.50111.9E124 V146 Q147 D148 R153 V154E124-K150 WeakPolarHBondContact OE1-CE 3.43Å; E124-K150 IonicContact OE1-NZ 2.68Å; E124-K150 PolarHBondContact OE1-NZ 2.81Å; E124-K150 WeakPolarHBondContact OE2-CE 3.5Å; E124-K150 IonicContact OE2-NZ 2.69Å; V146-K150 PolarHBondContact O-N 2.81Å; Q147-K150 WeakPolarHBondContact O-CB 3.34Å; Q147-K150 PolarHBondContact O-N 2.59Å; D148-K150 PolarHBondContact O-N 2.87Å; K150-R153 PolarHBondContact O-N 2.73Å; K150-V154 WeakPolarHBondContact O-CG2 3.49Å; K150-V154 PolarHBondContact O-N 3.03Å
151V88.5Confident87Confident36 Ų3631.1 Ų31.122%0.21815%0.152CC..Hα-helixtrans-62.2-44.1176.7172.30000111.3Q147 D148 V154 L155 L174 W187Q147-V151 WeakPolarHBondContact O-CG2 3.39Å; Q147-V151 PolarHBondContact O-N 2.8Å; D148-V151 PolarHBondContact O-N 3.28Å; D148-V151 VanDerWaalsContact O-N 3.14Å; V151-V154 PolarHBondContact O-N 3.26Å; V151-L155 WeakPolarHBondContact O-CB 3.16Å; V151-L155 PolarHBondContact O-N 3.43Å; V151-L174 HydrophobicContact CG1-CD1 4.06Å; V151-L174 HydrophobicContact CG1-CD2 4.12Å; V151-W187 HydrophobicContact CG1-CZ2 4.38Å
152L89.6Confident87.2Confident0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-62.4-44179.2-70.7161.5000112.4I90 I93 M94 D148 V154 L155 L156 W187I90-L152 HydrophobicContact CG2-CD2 4.34Å; I93-L152 HydrophobicContact CB-CD2 4.37Å; I93-L152 HydrophobicContact CG2-CD1 3.73Å; I93-L152 HydrophobicContact CG2-CD2 3.78Å; I93-L152 HydrophobicContact CG2-CG 4.43Å; M94-L152 HydrophobicContact CG-CB 3.67Å; M94-L152 HydrophobicContact CG-CD1 3.99Å; M94-L152 HydrophobicContact CG-CG 4.34Å; M94-L152 HydrophobicContact SD-CB 4.12Å; D148-L152 WeakPolarHBondContact O-CB 3.47Å; D148-L152 WeakPolarHBondContact O-CD1 3.35Å; D148-L152 VanDerWaalsContact O-CG 3.27Å; D148-L152 WeakPolarHBondContact O-CG 3.34Å; D148-L152 PolarHBondContact O-N 2.75Å; L152-V154 VanDerWaalsContact C-N 3.31Å; L152-V154 PolarHBondContact O-N 3.26Å; L152-L155 PolarHBondContact O-N 2.95Å; L152-L156 WeakPolarHBondContact O-CB 3.26Å; L152-L156 PolarHBondContact O-N 3.27Å; L152-W187 HydrophobicContact CD2-CD2 4.19Å; L152-W187 HydrophobicContact CD2-CE3 3.98Å; L152-W187 HydrophobicContact CD2-CH2 3.76Å; L152-W187 HydrophobicContact CD2-CZ2 4Å; L152-W187 HydrophobicContact CD2-CZ3 3.75Å; L152-W187 HydrophobicContact CG-CZ2 4.32Å
153R88.9Confident87.5Confident40 Ų4029 Ų2915%0.15114%0.141CC..Hα-helixtrans-61.8-37.2175.3-72.5166.473-114.82.4112.5M94 A118 G120 L149 K150 L157M94-R153 HydrophobicContact CE-CG 3.65Å; M94-R153 HydrophobicContact SD-CG 4.3Å; A118-R153 VanDerWaalsContact O-CD 3.3Å; A118-R153 WeakPolarHBondContact O-CD 3.48Å; A118-R153 PolarHBondContact O-NE 3.11Å; G120-R153 PolarHBondContact O-NH2 2.92Å; L149-R153 WeakPolarHBondContact O-CB 3.38Å; L149-R153 WeakPolarHBondContact O-CD 3.45Å; L149-R153 WeakPolarHBondContact O-CG 3.36Å; L149-R153 PolarHBondContact O-N 3.37Å; L149-R153 VanDerWaalsContact O-N 3.14Å; K150-R153 PolarHBondContact O-N 2.73Å; R153-L157 PolarHBondContact O-N 3.01Å
154V88.6Confident87.7Confident56 Ų5626.3 Ų26.334%0.33913%0.13SC..Hα-helixtrans-72.7-41176.3169.80000111.5K150 V151 L152 L156 L157 Y158K150-V154 WeakPolarHBondContact O-CG2 3.49Å; K150-V154 PolarHBondContact O-N 3.03Å; V151-V154 PolarHBondContact O-N 3.26Å; L152-V154 VanDerWaalsContact C-N 3.31Å; L152-V154 PolarHBondContact O-N 3.26Å; V154-L156 VanDerWaalsContact C-N 3.31Å; V154-L156 PolarHBondContact O-N 2.87Å; V154-L157 PolarHBondContact O-N 2.6Å; V154-Y158 HydrophobicContact CG1-CD2 3.69Å; V154-Y158 HydrophobicContact CG1-CE1 4.42Å; V154-Y158 HydrophobicContact CG1-CE2 3.22Å; V154-Y158 HydrophobicContact CG1-CG 4.49Å; V154-Y158 WeakPolarHBondContact O-CD2 3.27Å; V154-Y158 PolarHBondContact O-N 3.12Å
155L90.8Very high87.9Confident3 Ų325.4 Ų25.42%0.01612%0.123CC..Hα-helixtrans-61.7-39.6175.3-174.665.6000111.8I90 V151 L152 L157 Y158 L159 F167 L170 M196I90-L155 HydrophobicContact CD1-CD2 4.05Å; I90-L155 HydrophobicContact CD1-CG 4Å; I90-L155 HydrophobicContact CG1-CD2 4.36Å; V151-L155 WeakPolarHBondContact O-CB 3.16Å; V151-L155 PolarHBondContact O-N 3.43Å; L152-L155 PolarHBondContact O-N 2.95Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.4Å; L155-Y158 PolarHBondContact O-N 3.4Å; L155-L159 PolarHBondContact O-N 3.46Å; L155-F167 HydrophobicContact CD1-CD2 4.43Å; L155-F167 HydrophobicContact CD1-CE2 3.64Å; L155-F167 HydrophobicContact CD1-CZ 3.9Å; L155-F167 HydrophobicContact CG-CE2 4.21Å; L155-F167 HydrophobicContact CG-CZ 4.3Å; L155-L170 HydrophobicContact CD1-CD2 4.32Å; L155-M196 HydrophobicContact CD2-CE 4.15Å; L155-M196 HydrophobicContact CD2-SD 3.83Å
156L89.8Confident88Confident7 Ų726.2 Ų26.24%0.03713%0.128CC..Hα-helixtrans-63.5-37.4176.3-171.761.8000112.7Q87 I90 L91 M94 L119 L152 V154 L159 T456Q87-L156 HydrophobicContact CG-CD1 4.1Å; I90-L156 HydrophobicContact CB-CD1 4.31Å; I90-L156 HydrophobicContact CD1-CD1 4.42Å; I90-L156 HydrophobicContact CG2-CB 4.08Å; I90-L156 HydrophobicContact CG2-CD1 4.09Å; L91-L156 HydrophobicContact CD2-CD2 4.14Å; M94-L156 HydrophobicContact SD-CD2 4.26Å; L119-L156 HydrophobicContact CD2-CD2 3.37Å; L152-L156 WeakPolarHBondContact O-CB 3.26Å; L152-L156 PolarHBondContact O-N 3.27Å; V154-L156 VanDerWaalsContact C-N 3.31Å; V154-L156 PolarHBondContact O-N 2.87Å; L156-L159 WeakPolarHBondContact O-CB 2.75Å; L156-T456 HydrophobicContact CD1-CG2 4.19Å; L156-T456 HydrophobicContact CD2-CG2 3.99Å; L156-T456 HydrophobicContact CG-CG2 4.36Å
157L87.9Confident88.2Confident46 Ų4625.2 Ų25.224%0.24112%0.121CC..Hα-helixtrans-69.4-44.9174.417857.7000111.6R153 V154 L155 L159 T160 Q161R153-L157 PolarHBondContact O-N 3.01Å; V154-L157 PolarHBondContact O-N 2.6Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.4Å; L157-L159 PolarHBondContact O-N 2.96Å; L157-T160 PolarHBondContact O-N 3.32Å; L157-T160 PolarHBondContact O-OG1 2.95Å; L157-Q161 HydrophobicContact CD1-CG 4.11Å; L157-Q161 VanDerWaalsContact CG-OE1 3.28Å; L157-Q161 PolarHBondContact O-N 3.38Å
158Y89Confident88.4Confident66 Ų6620.2 Ų20.226%0.25910%0.098SC..Hα-helixtrans-67.3-17.5178.3-66.5-25.4000113.8V154 L155 T160 Y162 L170V154-Y158 HydrophobicContact CG1-CD2 3.69Å; V154-Y158 HydrophobicContact CG1-CE1 4.42Å; V154-Y158 HydrophobicContact CG1-CE2 3.22Å; V154-Y158 HydrophobicContact CG1-CG 4.49Å; V154-Y158 WeakPolarHBondContact O-CD2 3.27Å; V154-Y158 PolarHBondContact O-N 3.12Å; L155-Y158 PolarHBondContact O-N 3.4Å; Y158-T160 VanDerWaalsContact C-N 3.35Å; Y158-Y162 HydrophobicContact CD1-CD1 4.47Å; Y158-Y162 AromaticContact CD1-CD2 3.82Å; Y158-Y162 HydrophobicContact CD1-CD2 3.82Å; Y158-Y162 HydrophobicContact CD1-CE1 4.08Å; Y158-Y162 AromaticContact CD1-CE2 3.36Å; Y158-Y162 HydrophobicContact CD1-CE2 3.36Å; Y158-Y162 HydrophobicContact CD1-CG 4.36Å; Y158-Y162 AromaticContact CD1-CZ 3.52Å; Y158-Y162 HydrophobicContact CD2-CD2 4.14Å; Y158-Y162 AromaticContact CD2-CE2 3.68Å; Y158-Y162 HydrophobicContact CD2-CE2 3.68Å; Y158-Y162 HydrophobicContact CE1-CD2 4.49Å; Y158-Y162 HydrophobicContact CE1-CE1 4.22Å; Y158-Y162 AromaticContact CE1-CE2 3.59Å; Y158-Y162 HydrophobicContact CE1-CE2 3.59Å; Y158-Y162 AromaticContact CE1-CZ 3.43Å; Y158-Y162 VanDerWaalsContact CE1-CZ 3.43Å; Y158-Y162 VanDerWaalsContact CE1-OH 3.28Å; Y158-Y162 WeakPolarHBondContact CE1-OH 3.42Å; Y158-Y162 AromaticContact CE2-CE2 3.87Å; Y158-Y162 HydrophobicContact CE2-CE2 3.87Å; Y158-Y162 AromaticContact CG-CD2 3.62Å; Y158-Y162 HydrophobicContact CG-CD2 3.62Å; Y158-Y162 AromaticContact CG-CE2 3.41Å; Y158-Y162 HydrophobicContact CG-CE2 3.41Å; Y158-Y162 VanDerWaalsContact CG-CE2 3.41Å; Y158-Y162 HydrophobicContact CG-CG 4.42Å; Y158-Y162 AromaticContact CZ-CE2 3.83Å; Y158-Y162 AromaticContact CZ-CZ 3.91Å; Y158-Y162 WeakPolarHBondContact O-CB 3.47Å; Y158-Y162 PolarHBondContact O-N 3.03Å; Y158-L170 HydrophobicContact CD2-CD2 3.45Å; Y158-L170 VanDerWaalsContact CD2-CD2 3.45Å; Y158-L170 HydrophobicContact CE2-CD2 4.01Å; Y158-L170 HydrophobicContact CG-CD2 4.43Å
159L89.9Confident88.6Confident1 Ų121.8 Ų21.81%0.00511%0.107CC..Hα-helixtrans-62.3-38.3172.7178.660.4000112.7M83 I86 Q87 L155 L156 L157 F167M83-L159 VanDerWaalsContact CE-O 3.3Å; M83-L159 WeakPolarHBondContact CE-O 3.43Å; M83-L159 HydrophobicContact CG-CD1 4.39Å; I86-L159 HydrophobicContact CB-CD1 4.21Å; I86-L159 HydrophobicContact CB-CD2 4.23Å; I86-L159 HydrophobicContact CD1-CD1 4.27Å; I86-L159 HydrophobicContact CG2-CD1 3.77Å; I86-L159 HydrophobicContact CG2-CD2 3.81Å; I86-L159 HydrophobicContact CG2-CG 4.38Å; Q87-L159 HydrophobicContact CB-CD2 4.02Å; L155-L159 PolarHBondContact O-N 3.46Å; L156-L159 WeakPolarHBondContact O-CB 2.75Å; L157-L159 PolarHBondContact O-N 2.96Å; L159-F167 HydrophobicContact CB-CE2 3.86Å; L159-F167 HydrophobicContact CB-CZ 4.33Å; L159-F167 HydrophobicContact CD1-CE1 4.23Å; L159-F167 HydrophobicContact CD1-CE2 4.09Å; L159-F167 HydrophobicContact CD1-CZ 3.89Å
160T86.8Confident88.6Confident8 Ų824.2 Ų24.25%0.04912%0.119CC..Hα-helixtrans-92.9-25.5-179.262.30000113.2L157 Y158 Y452L157-T160 PolarHBondContact O-N 3.32Å; L157-T160 PolarHBondContact O-OG1 2.95Å; Y158-T160 VanDerWaalsContact C-N 3.35Å; T160-Y452 HydrophobicContact CG2-CD2 4.01Å; T160-Y452 HydrophobicContact CG2-CE2 4.3Å
161Q85.8Confident88.7Confident10 Ų1020.7 Ų20.75%0.04710%0.104CC..Hα-helixtrans-93.1-33.7-175.7-67.2-174.2-36.300114.9L157 S268 T272L157-Q161 HydrophobicContact CD1-CG 4.11Å; L157-Q161 VanDerWaalsContact CG-OE1 3.28Å; L157-Q161 PolarHBondContact O-N 3.38Å; Q161-S268 PolarHBondContact NE2-OG 3.47Å; Q161-T272 HydrophobicContact CB-CG2 4.31Å
162Y86Confident88.6Confident37 Ų3721 Ų2115%0.14510%0.103CC..SBendtrans-98.3153.1-176.6-68-15.9000113.2Y158 T166 R271Y158-Y162 HydrophobicContact CD1-CD1 4.47Å; Y158-Y162 AromaticContact CD1-CD2 3.82Å; Y158-Y162 HydrophobicContact CD1-CD2 3.82Å; Y158-Y162 HydrophobicContact CD1-CE1 4.08Å; Y158-Y162 AromaticContact CD1-CE2 3.36Å; Y158-Y162 HydrophobicContact CD1-CE2 3.36Å; Y158-Y162 HydrophobicContact CD1-CG 4.36Å; Y158-Y162 AromaticContact CD1-CZ 3.52Å; Y158-Y162 HydrophobicContact CD2-CD2 4.14Å; Y158-Y162 AromaticContact CD2-CE2 3.68Å; Y158-Y162 HydrophobicContact CD2-CE2 3.68Å; Y158-Y162 HydrophobicContact CE1-CD2 4.49Å; Y158-Y162 HydrophobicContact CE1-CE1 4.22Å; Y158-Y162 AromaticContact CE1-CE2 3.59Å; Y158-Y162 HydrophobicContact CE1-CE2 3.59Å; Y158-Y162 AromaticContact CE1-CZ 3.43Å; Y158-Y162 VanDerWaalsContact CE1-CZ 3.43Å; Y158-Y162 VanDerWaalsContact CE1-OH 3.28Å; Y158-Y162 WeakPolarHBondContact CE1-OH 3.42Å; Y158-Y162 AromaticContact CE2-CE2 3.87Å; Y158-Y162 HydrophobicContact CE2-CE2 3.87Å; Y158-Y162 AromaticContact CG-CD2 3.62Å; Y158-Y162 HydrophobicContact CG-CD2 3.62Å; Y158-Y162 AromaticContact CG-CE2 3.41Å; Y158-Y162 HydrophobicContact CG-CE2 3.41Å; Y158-Y162 VanDerWaalsContact CG-CE2 3.41Å; Y158-Y162 HydrophobicContact CG-CG 4.42Å; Y158-Y162 AromaticContact CZ-CE2 3.83Å; Y158-Y162 AromaticContact CZ-CZ 3.91Å; Y158-Y162 WeakPolarHBondContact O-CB 3.47Å; Y158-Y162 PolarHBondContact O-N 3.03Å; Y162-T166 HydrophobicContact CD2-CG2 3.48Å; Y162-T166 VanDerWaalsContact CD2-CG2 3.48Å; Y162-T166 HydrophobicContact CE2-CG2 4.08Å; Y162-T166 HydrophobicContact CG-CG2 3.83Å; Y162-R271 HydrophobicContact CE1-CG 4.47Å
163D88.4Confident88.4Confident3 Ų323.8 Ų23.82%0.01612%0.122CC..  trans-63.115517062.195.5000112.4V165 T166 F167 W241 Q275 L288 L291D163-V165 VanDerWaalsContact C-N 3.26Å; D163-V165 PolarHBondContact O-N 2.92Å; D163-V165 PolarHBondContact OD1-N 2.74Å; D163-T166 VanDerWaalsContact CG-OG1 3.25Å; D163-T166 PolarHBondContact O-N 3.42Å; D163-T166 WeakPolarHBondContact OD1-CB 3.49Å; D163-T166 PolarHBondContact OD1-N 2.9Å; D163-T166 PolarHBondContact OD1-OG1 3.18Å; D163-T166 VanDerWaalsContact OD1-OG1 3.06Å; D163-T166 WeakPolarHBondContact OD2-CB 3.47Å; D163-T166 PolarHBondContact OD2-OG1 3.4Å; D163-F167 WeakPolarHBondContact O-CB 3.45Å; D163-F167 PolarHBondContact O-N 3.33Å; D163-W241 HydrophobicContact CB-CH2 3.85Å; D163-W241 HydrophobicContact CB-CZ2 4.22Å; D163-Q275 PolarHBondContact OD2-NE2 3.4Å; D163-L288 HydrophobicContact CB-CD2 4.29Å; D163-L291 HydrophobicContact CB-CD1 4.38Å
164C87.6Confident88.1Confident3 Ų323.7 Ų23.72%0.0213%0.125CC..Hα-helixtrans-57.5-34.6-177.154.10000113.5L168 R203 V204 E236C164-L168 WeakPolarHBondContact O-CB 3.34Å; C164-L168 PolarHBondContact O-N 3.42Å; C164-R203 HydrophobicContact CB-CB 4.07Å; C164-V204 HydrophobicContact CB-CG2 4.09Å; C164-E236 PolarHBondContact SG-O 2.82Å
165V88.9Confident87.8Confident0 Ų025.8 Ų25.80%013%0.127CC..Hα-helixtrans-73-49.6-179-176.70000111.4D163 F167 L168 N169 V204 L235 L291 T295 V296D163-V165 VanDerWaalsContact C-N 3.26Å; D163-V165 PolarHBondContact O-N 2.92Å; D163-V165 PolarHBondContact OD1-N 2.74Å; V165-F167 VanDerWaalsContact C-N 3.33Å; V165-F167 PolarHBondContact O-N 3.34Å; V165-L168 PolarHBondContact O-N 3.5Å; V165-N169 PolarHBondContact O-N 2.97Å; V165-V204 HydrophobicContact CG2-CG1 4.37Å; V165-L235 HydrophobicContact CG2-CD2 4.06Å; V165-L291 HydrophobicContact CB-CB 4.43Å; V165-L291 HydrophobicContact CG1-CB 4.44Å; V165-T295 VanDerWaalsContact CG1-OG1 3.3Å; V165-T295 WeakPolarHBondContact CG1-OG1 3.13Å; V165-V296 HydrophobicContact CG1-CG2 4Å
166T88.2Confident87.3Confident17 Ų1728.7 Ų28.710%0.10415%0.147CC..Hα-helixtrans-56.2-48.8172.5-70.40000110.5Y162 D163 L168 N169 L170 R271Y162-T166 HydrophobicContact CD2-CG2 3.48Å; Y162-T166 VanDerWaalsContact CD2-CG2 3.48Å; Y162-T166 HydrophobicContact CE2-CG2 4.08Å; Y162-T166 HydrophobicContact CG-CG2 3.83Å; D163-T166 VanDerWaalsContact CG-OG1 3.25Å; D163-T166 PolarHBondContact O-N 3.42Å; D163-T166 WeakPolarHBondContact OD1-CB 3.49Å; D163-T166 PolarHBondContact OD1-N 2.9Å; D163-T166 PolarHBondContact OD1-OG1 3.18Å; D163-T166 VanDerWaalsContact OD1-OG1 3.06Å; D163-T166 WeakPolarHBondContact OD2-CB 3.47Å; D163-T166 PolarHBondContact OD2-OG1 3.4Å; T166-L168 PolarHBondContact O-N 3.23Å; T166-N169 PolarHBondContact O-N 2.94Å; T166-L170 WeakPolarHBondContact O-CB 3.48Å; T166-L170 PolarHBondContact O-N 3.37Å; T166-R271 PolarHBondContact OG1-NH2 3.29Å
167F90.9Very high86.5Confident1 Ų130.1 Ų30.10%0.00416%0.158CC..Hα-helixtrans-59.8-45.9-178.2-176.5-93.6000111.1I86 L155 L159 D163 V165 L170 L171 A200I86-F167 HydrophobicContact CD1-CE1 4.24Å; I86-F167 HydrophobicContact CG2-CE1 4.18Å; I86-F167 HydrophobicContact CG2-CZ 3.9Å; L155-F167 HydrophobicContact CD1-CD2 4.43Å; L155-F167 HydrophobicContact CD1-CE2 3.64Å; L155-F167 HydrophobicContact CD1-CZ 3.9Å; L155-F167 HydrophobicContact CG-CE2 4.21Å; L155-F167 HydrophobicContact CG-CZ 4.3Å; L159-F167 HydrophobicContact CB-CE2 3.86Å; L159-F167 HydrophobicContact CB-CZ 4.33Å; L159-F167 HydrophobicContact CD1-CE1 4.23Å; L159-F167 HydrophobicContact CD1-CE2 4.09Å; L159-F167 HydrophobicContact CD1-CZ 3.89Å; D163-F167 WeakPolarHBondContact O-CB 3.45Å; D163-F167 PolarHBondContact O-N 3.33Å; V165-F167 VanDerWaalsContact C-N 3.33Å; V165-F167 PolarHBondContact O-N 3.34Å; F167-L170 PolarHBondContact O-N 3.2Å; F167-L171 HydrophobicContact CD1-CD1 4.33Å; F167-L171 HydrophobicContact CE1-CD1 3.59Å; F167-L171 HydrophobicContact CZ-CD1 4.01Å; F167-L171 VanDerWaalsContact O-CB 3.29Å; F167-L171 WeakPolarHBondContact O-CB 3.35Å; F167-L171 PolarHBondContact O-N 2.98Å; F167-A200 HydrophobicContact CD1-CB 4.49Å; F167-A200 HydrophobicContact CE1-CB 4.25Å
168L90.1Very high85.6Confident4 Ų430.7 Ų30.72%0.02116%0.159CC..Hα-helixtrans-62.1-46.7175.5-18060.7000112.1C164 V165 T166 L170 L171 E172 A200 R201 V204 Y205C164-L168 WeakPolarHBondContact O-CB 3.34Å; C164-L168 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 3.5Å; T166-L168 PolarHBondContact O-N 3.23Å; L168-L170 VanDerWaalsContact C-N 3.35Å; L168-L170 PolarHBondContact O-N 3.17Å; L168-L171 PolarHBondContact O-N 3.22Å; L168-E172 HydrophobicContact CD1-CG 3.99Å; L168-E172 HydrophobicContact CG-CG 4.44Å; L168-E172 WeakPolarHBondContact O-CG 3.45Å; L168-E172 PolarHBondContact O-N 3.42Å; L168-A200 HydrophobicContact CD1-CB 4.14Å; L168-R201 HydrophobicContact CD1-CG 3.91Å; L168-V204 HydrophobicContact CB-CG2 4.15Å; L168-V204 HydrophobicContact CD2-CB 3.83Å; L168-V204 HydrophobicContact CD2-CG1 4.17Å; L168-V204 HydrophobicContact CD2-CG2 3.74Å; L168-Y205 HydrophobicContact CD2-CE1 3.94Å
169N89.2Confident84.2Confident42 Ų4235.1 Ų35.123%0.22518%0.18CC..Hα-helixtrans-63.3-38.8179.9-176.133.6000112.3V165 T166 S173 R299V165-N169 PolarHBondContact O-N 2.97Å; T166-N169 PolarHBondContact O-N 2.94Å; N169-S173 VanDerWaalsContact O-CB 3.24Å; N169-S173 WeakPolarHBondContact O-CB 3.25Å; N169-S173 PolarHBondContact O-N 2.97Å; N169-R299 PolarHBondContact OD1-NH1 3.01Å
170L88.8Confident82.6Confident52 Ų5238.3 Ų38.327%0.27220%0.199SC..Hα-helixtrans-60.8-48.9172.3175.166.3000111.2L155 Y158 T166 F167 L168 E172 S173 L174L155-L170 HydrophobicContact CD1-CD2 4.32Å; Y158-L170 HydrophobicContact CD2-CD2 3.45Å; Y158-L170 VanDerWaalsContact CD2-CD2 3.45Å; Y158-L170 HydrophobicContact CE2-CD2 4.01Å; Y158-L170 HydrophobicContact CG-CD2 4.43Å; T166-L170 WeakPolarHBondContact O-CB 3.48Å; T166-L170 PolarHBondContact O-N 3.37Å; F167-L170 PolarHBondContact O-N 3.2Å; L168-L170 VanDerWaalsContact C-N 3.35Å; L168-L170 PolarHBondContact O-N 3.17Å; L170-E172 PolarHBondContact O-N 3.02Å; L170-S173 WeakPolarHBondContact O-CB 3.27Å; L170-S173 PolarHBondContact O-N 2.99Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L170-L174 HydrophobicContact CG-CD1 4.48Å; L170-L174 WeakPolarHBondContact O-CG 3.42Å; L170-L174 PolarHBondContact O-N 3.44Å
171L88.1Confident81.2Confident3 Ų344.9 Ų44.92%0.01623%0.228CC..Hα-helixtrans-66.8-36.6-176.4-156.3170000111.2F167 L168 R175 M196 F197 A200F167-L171 HydrophobicContact CD1-CD1 4.33Å; F167-L171 HydrophobicContact CE1-CD1 3.59Å; F167-L171 HydrophobicContact CZ-CD1 4.01Å; F167-L171 VanDerWaalsContact O-CB 3.29Å; F167-L171 WeakPolarHBondContact O-CB 3.35Å; F167-L171 PolarHBondContact O-N 2.98Å; L168-L171 PolarHBondContact O-N 3.22Å; L171-R175 PolarHBondContact O-N 3.19Å; L171-M196 HydrophobicContact CD1-CE 4.13Å; L171-M196 HydrophobicContact CD1-CG 4.21Å; L171-M196 HydrophobicContact CD1-SD 4.3Å; L171-M196 HydrophobicContact CD2-CE 4.06Å; L171-M196 HydrophobicContact CG-CE 4.23Å; L171-F197 HydrophobicContact CD2-CD1 3.33Å; L171-F197 HydrophobicContact CD2-CD2 4.39Å; L171-F197 HydrophobicContact CD2-CE1 3.05Å; L171-F197 HydrophobicContact CD2-CE2 4.17Å; L171-F197 HydrophobicContact CD2-CG 3.99Å; L171-F197 HydrophobicContact CD2-CZ 3.49Å; L171-F197 VanDerWaalsContact CD2-CZ 3.49Å; L171-A200 HydrophobicContact CD1-CB 3.78Å
172E86.4Confident79.7Confident41 Ų4147.8 Ų47.819%0.19226%0.26CS..Hα-helixtrans-71.2-32.3170.4-63.9-146.1132.200113.5L168 L170 R175 S176 R201L168-E172 HydrophobicContact CD1-CG 3.99Å; L168-E172 HydrophobicContact CG-CG 4.44Å; L168-E172 WeakPolarHBondContact O-CG 3.45Å; L168-E172 PolarHBondContact O-N 3.42Å; L170-E172 PolarHBondContact O-N 3.02Å; E172-R175 VanDerWaalsContact CD-NH2 3.32Å; E172-R175 WeakPolarHBondContact O-CB 3.42Å; E172-R175 PolarHBondContact O-N 3.39Å; E172-R175 VanDerWaalsContact O-N 3.13Å; E172-R175 IonicContact OE1-CZ 2.74Å; E172-R175 IonicContact OE1-NH2 3.75Å; E172-R175 PolarHBondContact OE1-NH2 3.17Å; E172-R175 IonicContact OE2-NH2 3.58Å; E172-S176 PolarHBondContact O-N 2.92Å; E172-S176 PolarHBondContact O-OG 3.44Å; E172-R201 IonicContact OE1-CZ 2.7Å; E172-R201 IonicContact OE1-NE 2.68Å; E172-R201 PolarHBondContact OE1-NE 3.17Å; E172-R201 IonicContact OE1-NH2 2.71Å; E172-R201 PolarHBondContact OE1-NH2 2.74Å
173S86.3Confident78.3Confident59 Ų5950.6 Ų50.641%0.41329%0.285SS..Hα-helixtrans-67.1-38.1173.6-174.40000112.7N169 L170 R175 S176 S177N169-S173 VanDerWaalsContact O-CB 3.24Å; N169-S173 WeakPolarHBondContact O-CB 3.25Å; N169-S173 PolarHBondContact O-N 2.97Å; L170-S173 WeakPolarHBondContact O-CB 3.27Å; L170-S173 PolarHBondContact O-N 2.99Å; L170-S173 VanDerWaalsContact O-N 3.13Å; S173-R175 PolarHBondContact O-N 3.49Å; S173-S176 WeakPolarHBondContact CA-OG 3.45Å; S173-S176 PolarHBondContact O-N 3.43Å; S173-S176 PolarHBondContact O-OG 3.03Å; S173-S177 PolarHBondContact O-N 3.29Å; S173-S177 PolarHBondContact O-OG 3.32Å; S173-S177 VanDerWaalsContact O-OG 3.09Å
174L83.3Confident77.1Confident39 Ų3952 Ų5220%0.20429%0.293CS..Hα-helixtrans-61.5-32.2169.2-70.5174000111.7V151 L170 S177 Q178V151-L174 HydrophobicContact CG1-CD1 4.06Å; V151-L174 HydrophobicContact CG1-CD2 4.12Å; L170-L174 HydrophobicContact CG-CD1 4.48Å; L170-L174 WeakPolarHBondContact O-CG 3.42Å; L170-L174 PolarHBondContact O-N 3.44Å; L174-S177 PolarHBondContact O-OG 3.45Å; L174-Q178 WeakPolarHBondContact O-CG 3.41Å
175R82.9Confident75.8Confident100 Ų10053 Ų5338%0.37730%0.3SS..Hα-helixtrans-76.7-35.4175.4-170.1-177.254.1158.2-4.4113.2L171 E172 S173 F197 R201L171-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact CD-NH2 3.32Å; E172-R175 WeakPolarHBondContact O-CB 3.42Å; E172-R175 PolarHBondContact O-N 3.39Å; E172-R175 VanDerWaalsContact O-N 3.13Å; E172-R175 IonicContact OE1-CZ 2.74Å; E172-R175 IonicContact OE1-NH2 3.75Å; E172-R175 PolarHBondContact OE1-NH2 3.17Å; E172-R175 IonicContact OE2-NH2 3.58Å; S173-R175 PolarHBondContact O-N 3.49Å; R175-F197 HydrophobicContact CB-CE1 3.85Å; R175-F197 HydrophobicContact CB-CZ 3.75Å; R175-F197 HydrophobicContact CG-CE1 4.15Å; R175-F197 HydrophobicContact CG-CZ 3.92Å; R175-R201 VanDerWaalsContact CZ-NH2 3.33Å
176S79Confident75Confident63 Ų6354.1 Ų54.144%0.44131%0.311SS..Hα-helixtrans-71.7-46177.448.80000111.9E172 S173 Q178 K179 T180E172-S176 PolarHBondContact O-N 2.92Å; E172-S176 PolarHBondContact O-OG 3.44Å; S173-S176 WeakPolarHBondContact CA-OG 3.45Å; S173-S176 PolarHBondContact O-N 3.43Å; S173-S176 PolarHBondContact O-OG 3.03Å; S176-Q178 PolarHBondContact O-N 2.78Å; S176-K179 WeakPolarHBondContact O-CB 3.37Å; S176-K179 PolarHBondContact O-N 2.94Å; S176-K179 VanDerWaalsContact O-N 3.07Å; S176-T180 PolarHBondContact O-OG1 3.47Å
177S73.5Confident74.5Confident37 Ų3753.8 Ų53.826%0.25931%0.308SS..Hα-helixtrans-60-30.6-179.458.20000112.9S173 L174 K179 T180 F181S173-S177 PolarHBondContact O-N 3.29Å; S173-S177 PolarHBondContact O-OG 3.32Å; S173-S177 VanDerWaalsContact O-OG 3.09Å; L174-S177 PolarHBondContact O-OG 3.45Å; S177-K179 PolarHBondContact O-N 2.96Å; S177-T180 WeakPolarHBondContact O-CA 3.28Å; S177-T180 VanDerWaalsContact O-CB 3.31Å; S177-T180 WeakPolarHBondContact O-CB 3.4Å; S177-T180 PolarHBondContact O-N 3.01Å; S177-F181 VanDerWaalsContact O-CD2 3.24Å; S177-F181 WeakPolarHBondContact O-CD2 3.28Å; S177-F181 PolarHBondContact O-N 3.29Å
178Q68Low73.8Confident59 Ų5955 Ų5528%0.27632%0.315SS..Hα-helixtrans-70.8-27.3177.9-69.5-64.8-11.900114.2L174 S176 T180 G182 N184 L188L174-Q178 WeakPolarHBondContact O-CG 3.41Å; S176-Q178 PolarHBondContact O-N 2.78Å; Q178-T180 PolarHBondContact O-N 3.37Å; Q178-G182 PolarHBondContact O-N 2.76Å; Q178-N184 PolarHBondContact NE2-ND2 2.76Å; Q178-N184 VanDerWaalsContact NE2-ND2 3.17Å; Q178-L188 HydrophobicContact CB-CD1 4.32Å; Q178-L188 HydrophobicContact CG-CD1 3.7Å
179K61.3Low73.2Confident158 Ų15863.5 Ų63.569%0.68735%0.352SS*.Hα-helixtrans-67.7-23.7168-64.2-174.8174-171.80112.6S176 S177S176-K179 WeakPolarHBondContact O-CB 3.37Å; S176-K179 PolarHBondContact O-N 2.94Å; S176-K179 VanDerWaalsContact O-N 3.07Å; S177-K179 PolarHBondContact O-N 2.96Å
180T56.3Low72.7Confident68 Ų6864.8 Ų64.842%0.41736%0.358SS..Hα-helixtrans-88.6-40.1-178.3-46.20000112.2S176 S177 Q178 V750S176-T180 PolarHBondContact O-OG1 3.47Å; S177-T180 WeakPolarHBondContact O-CA 3.28Å; S177-T180 VanDerWaalsContact O-CB 3.31Å; S177-T180 WeakPolarHBondContact O-CB 3.4Å; S177-T180 PolarHBondContact O-N 3.01Å; Q178-T180 PolarHBondContact O-N 3.37Å; T180-V750 HydrophobicContact CG2-CB 4.41Å; T180-V750 HydrophobicContact CG2-CG1 3.89Å
181F56.8Low72.3Confident147 Ų14768.7 Ų68.765%0.64538%0.379SS*.Hα-helixtrans-109.7-15.1-168.3-64.6-65.8000116.3S177 S183S177-F181 VanDerWaalsContact O-CD2 3.24Å; S177-F181 WeakPolarHBondContact O-CD2 3.28Å; S177-F181 PolarHBondContact O-N 3.29Å; F181-S183 PolarHBondContact O-N 2.92Å; F181-S183 PolarHBondContact O-OG 3.47Å
182G53.5Low72Confident71 Ų7170.8 Ų70.873%0.73239%0.394SS*.  trans590.8165.400000119.2Q178Q178-G182 PolarHBondContact O-N 2.76Å
183S57.7Low71.9Confident95 Ų9568.8 Ų68.866%0.66439%0.385SS*.  trans-115.250.7-166.150.10000113.3F181F181-S183 PolarHBondContact O-N 2.92Å; F181-S183 PolarHBondContact O-OG 3.47Å
184N63.1Low72Confident33 Ų3369.4 Ų69.418%0.17639%0.386CS..SBendtrans-109.1154.4178.7-177.1-65.6000111.4D148 Q178 G186 W187D148-N184 PolarHBondContact OD1-ND2 3.3Å; D148-N184 PolarHBondContact OD2-OD1 2.91Å; Q178-N184 PolarHBondContact NE2-ND2 2.76Å; Q178-N184 VanDerWaalsContact NE2-ND2 3.17Å; N184-G186 PolarHBondContact O-N 2.62Å; N184-G186 VanDerWaalsContact O-N 3.14Å; N184-G186 PolarHBondContact OD1-N 2.93Å; N184-W187 PolarHBondContact ND2-NE1 2.68Å; N184-W187 VanDerWaalsContact OD1-CD1 3.26Å
185S60.1Low72.2Confident24 Ų2469.3 Ų69.317%0.16839%0.391CS..  trans-64.2-11.7176.758.40000114.9D148D148-S185 VanDerWaalsContact OD2-CB 3.26Å; D148-S185 WeakPolarHBondContact OD2-CB 3.47Å; D148-S185 PolarHBondContact OD2-N 3.21Å; D148-S185 PolarHBondContact OD2-OG 2.77Å
186G72.3Confident72.5Confident24 Ų2464.6 Ų64.625%0.24737%0.373CS..SBendtrans100.97.7174.300000114.6N184 L188 F189N184-G186 PolarHBondContact O-N 2.62Å; N184-G186 VanDerWaalsContact O-N 3.14Å; N184-G186 PolarHBondContact OD1-N 2.93Å; G186-L188 PolarHBondContact O-N 3.37Å; G186-L188 VanDerWaalsContact O-N 3.12Å; G186-F189 WeakPolarHBondContact O-CB 3.42Å; G186-F189 WeakPolarHBondContact O-CD2 3.45Å; G186-F189 PolarHBondContact O-N 3.19Å
187W78.2Confident73Confident9 Ų962.4 Ų62.43%0.03436%0.356CS..G310 helixtrans-62.6-23-174.367.4-96.2000114.4I93 D148 V151 L152 N184 F189 L190 S193 M196I93-W187 HydrophobicContact CD1-CE3 4.06Å; I93-W187 HydrophobicContact CD1-CZ3 4.29Å; I93-W187 HydrophobicContact CG2-CB 3.75Å; I93-W187 HydrophobicContact CG2-CD2 4.09Å; I93-W187 HydrophobicContact CG2-CE3 3.84Å; I93-W187 HydrophobicContact CG2-CG 4.12Å; D148-W187 PolarHBondContact OD1-NE1 3.07Å; V151-W187 HydrophobicContact CG1-CZ2 4.38Å; L152-W187 HydrophobicContact CD2-CD2 4.19Å; L152-W187 HydrophobicContact CD2-CE3 3.98Å; L152-W187 HydrophobicContact CD2-CH2 3.76Å; L152-W187 HydrophobicContact CD2-CZ2 4Å; L152-W187 HydrophobicContact CD2-CZ3 3.75Å; L152-W187 HydrophobicContact CG-CZ2 4.32Å; N184-W187 PolarHBondContact ND2-NE1 2.68Å; N184-W187 VanDerWaalsContact OD1-CD1 3.26Å; W187-F189 PolarHBondContact O-N 2.82Å; W187-L190 HydrophobicContact CB-CD1 4.18Å; W187-L190 WeakPolarHBondContact O-CB 3.29Å; W187-L190 WeakPolarHBondContact O-CG 3.41Å; W187-L190 PolarHBondContact O-N 3.3Å; W187-S193 WeakPolarHBondContact O-CB 3.35Å; W187-M196 HydrophobicContact CH2-CE 4.47Å; W187-M196 HydrophobicContact CZ3-CE 3.95Å
188L74.6Confident73.8Confident27 Ų2765.1 Ų65.114%0.14137%0.37CS..G310 helixtrans-72.50.8173.7-70.5165.4000114.4Q178 G186 S193 F197Q178-L188 HydrophobicContact CB-CD1 4.32Å; Q178-L188 HydrophobicContact CG-CD1 3.7Å; G186-L188 PolarHBondContact O-N 3.37Å; G186-L188 VanDerWaalsContact O-N 3.12Å; L188-S193 PolarHBondContact O-OG 3.12Å; L188-S193 VanDerWaalsContact O-OG 3.12Å; L188-F197 HydrophobicContact CD2-CE2 3.9Å; L188-F197 HydrophobicContact CD2-CZ 4.07Å
189F77.4Confident74.9Confident182 Ų18264.2 Ų64.280%0.79837%0.367SS*.G310 helixtrans-106.80.9171-56.5-68.1000113G186 W187G186-F189 WeakPolarHBondContact O-CB 3.42Å; G186-F189 WeakPolarHBondContact O-CD2 3.45Å; G186-F189 PolarHBondContact O-N 3.19Å; W187-F189 PolarHBondContact O-N 2.82Å
190L79.3Confident76.2Confident70 Ų7056.8 Ų56.837%0.36634%0.335SS..SBendtrans-75.8146.3173.9-63.1170.7000110.4I93 A96 W187 C192 S193 T194I93-L190 HydrophobicContact CG1-CD1 4.14Å; I93-L190 HydrophobicContact CG2-CD1 4.32Å; A96-L190 HydrophobicContact CB-CD1 4.41Å; W187-L190 HydrophobicContact CB-CD1 4.18Å; W187-L190 WeakPolarHBondContact O-CB 3.29Å; W187-L190 WeakPolarHBondContact O-CG 3.41Å; W187-L190 PolarHBondContact O-N 3.3Å; L190-C192 PolarHBondContact O-N 3.46Å; L190-S193 WeakPolarHBondContact O-CA 3.49Å; L190-S193 VanDerWaalsContact O-CB 3.3Å; L190-S193 WeakPolarHBondContact O-CB 3.37Å; L190-S193 PolarHBondContact O-N 3.09Å; L190-S193 PolarHBondContact O-OG 3.23Å; L190-T194 PolarHBondContact O-N 3.03Å
191D79.5Confident77.8Confident133 Ų13356.2 Ų56.271%0.71133%0.325SS*.Hα-helixtrans-62.5-32.3179.2-61.4-60.3000112.5S193 T194 A195D191-S193 PolarHBondContact O-N 3.02Å; D191-T194 PolarHBondContact O-N 2.92Å; D191-T194 VanDerWaalsContact O-N 3.12Å; D191-T194 PolarHBondContact O-OG1 3.26Å; D191-A195 PolarHBondContact O-N 3.2Å
192C83.1Confident79.3Confident47 Ų4751.8 Ų51.832%0.31831%0.313SS..Hα-helixtrans-54.8-37.6169.5-56.20000111.8S89 I93 L190 M196S89-C192 WeakPolarHBondContact CB-O 3.23Å; S89-C192 PolarHBondContact OG-O 3.28Å; I93-C192 HydrophobicContact CD1-CB 4.1Å; I93-C192 HydrophobicContact CG1-CB 3.79Å; L190-C192 PolarHBondContact O-N 3.46Å; C192-M196 WeakPolarHBondContact O-CB 3.43Å; C192-M196 PolarHBondContact O-N 2.84Å
193S84.6Confident80.9Confident0 Ų048.9 Ų48.90%028%0.28CS..Hα-helixtrans-72.8-35.9178.282.70000112W187 L188 L190 D191 M196 F197W187-S193 WeakPolarHBondContact O-CB 3.35Å; L188-S193 PolarHBondContact O-OG 3.12Å; L188-S193 VanDerWaalsContact O-OG 3.12Å; L190-S193 WeakPolarHBondContact O-CA 3.49Å; L190-S193 VanDerWaalsContact O-CB 3.3Å; L190-S193 WeakPolarHBondContact O-CB 3.37Å; L190-S193 PolarHBondContact O-N 3.09Å; L190-S193 PolarHBondContact O-OG 3.23Å; D191-S193 PolarHBondContact O-N 3.02Å; S193-M196 VanDerWaalsContact O-CB 3.31Å; S193-M196 WeakPolarHBondContact O-CB 3.35Å; S193-M196 PolarHBondContact O-N 3.38Å; S193-F197 WeakPolarHBondContact O-CD2 3.27Å; S193-F197 PolarHBondContact O-N 3.36Å
194T86.8Confident82.2Confident72 Ų7244.3 Ų44.344%0.44225%0.248SC..Hα-helixtrans-69-40.5177.471.40000110.6L190 D191 M196 F197 V198L190-T194 PolarHBondContact O-N 3.03Å; D191-T194 PolarHBondContact O-N 2.92Å; D191-T194 VanDerWaalsContact O-N 3.12Å; D191-T194 PolarHBondContact O-OG1 3.26Å; T194-M196 VanDerWaalsContact C-N 3.31Å; T194-M196 PolarHBondContact O-N 3.21Å; T194-F197 PolarHBondContact O-N 3.14Å; T194-V198 WeakPolarHBondContact O-CG2 3.45Å; T194-V198 PolarHBondContact O-N 2.97Å
195A88.6Confident83.1Confident37 Ų3743.6 Ų43.631%0.30624%0.243SC..Hα-helixtrans-59-40.7169.400000112D191 V198 N199D191-A195 PolarHBondContact O-N 3.2Å; A195-V198 PolarHBondContact O-N 3.16Å; A195-N199 WeakPolarHBondContact O-CB 3.35Å; A195-N199 PolarHBondContact O-N 3.11Å; A195-N199 PolarHBondContact O-ND2 3.36Å
196M89.8Confident84Confident0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-60.5-45.3173.9-169.7-172.660.100112.2I86 I90 L155 L171 W187 C192 S193 T194 A200I86-M196 HydrophobicContact CG2-CG 4.02Å; I90-M196 HydrophobicContact CD1-SD 4.04Å; I90-M196 HydrophobicContact CG1-SD 3.52Å; I90-M196 VanDerWaalsContact CG1-SD 3.52Å; L155-M196 HydrophobicContact CD2-CE 4.15Å; L155-M196 HydrophobicContact CD2-SD 3.83Å; L171-M196 HydrophobicContact CD1-CE 4.13Å; L171-M196 HydrophobicContact CD1-CG 4.21Å; L171-M196 HydrophobicContact CD1-SD 4.3Å; L171-M196 HydrophobicContact CD2-CE 4.06Å; L171-M196 HydrophobicContact CG-CE 4.23Å; W187-M196 HydrophobicContact CH2-CE 4.47Å; W187-M196 HydrophobicContact CZ3-CE 3.95Å; C192-M196 WeakPolarHBondContact O-CB 3.43Å; C192-M196 PolarHBondContact O-N 2.84Å; S193-M196 VanDerWaalsContact O-CB 3.31Å; S193-M196 WeakPolarHBondContact O-CB 3.35Å; S193-M196 PolarHBondContact O-N 3.38Å; T194-M196 VanDerWaalsContact C-N 3.31Å; T194-M196 PolarHBondContact O-N 3.21Å; M196-A200 VanDerWaalsContact O-CB 3.26Å; M196-A200 WeakPolarHBondContact O-CB 3.18Å; M196-A200 PolarHBondContact O-N 3.16Å
197F89.3Confident83.5Confident18 Ų1850.7 Ų50.78%0.07927%0.267CS..Hα-helixtrans-62.8-41175.6-82-77.9000112.8L171 R175 L188 S193 T194 A200 R201L171-F197 HydrophobicContact CD2-CD1 3.33Å; L171-F197 HydrophobicContact CD2-CD2 4.39Å; L171-F197 HydrophobicContact CD2-CE1 3.05Å; L171-F197 HydrophobicContact CD2-CE2 4.17Å; L171-F197 HydrophobicContact CD2-CG 3.99Å; L171-F197 HydrophobicContact CD2-CZ 3.49Å; L171-F197 VanDerWaalsContact CD2-CZ 3.49Å; R175-F197 HydrophobicContact CB-CE1 3.85Å; R175-F197 HydrophobicContact CB-CZ 3.75Å; R175-F197 HydrophobicContact CG-CE1 4.15Å; R175-F197 HydrophobicContact CG-CZ 3.92Å; L188-F197 HydrophobicContact CD2-CE2 3.9Å; L188-F197 HydrophobicContact CD2-CZ 4.07Å; S193-F197 WeakPolarHBondContact O-CD2 3.27Å; S193-F197 PolarHBondContact O-N 3.36Å; T194-F197 PolarHBondContact O-N 3.14Å; F197-A200 PolarHBondContact O-N 3.06Å; F197-R201 WeakPolarHBondContact O-CG 3.3Å; F197-R201 PolarHBondContact O-N 3.19Å
198V90.1Very high82.4Confident93 Ų9353.4 Ų53.456%0.56429%0.286SS*.Hα-helixtrans-65.8-48.9179.3171.60000110.5T194 A195 A200 R201 S202T194-V198 WeakPolarHBondContact O-CG2 3.45Å; T194-V198 PolarHBondContact O-N 2.97Å; A195-V198 PolarHBondContact O-N 3.16Å; V198-A200 VanDerWaalsContact C-N 3.31Å; V198-A200 PolarHBondContact O-N 3.46Å; V198-R201 PolarHBondContact O-N 3.39Å; V198-S202 PolarHBondContact O-N 3.2Å; V198-S202 VanDerWaalsContact O-N 3.15Å; V198-S202 PolarHBondContact O-OG 3.23Å
199N89.8Confident81.1Confident41 Ų4159.6 Ų59.622%0.21932%0.319CS..Hα-helixtrans-67.3-28.5177.8-71.7-61000113I86 A195 S202 R203I86-N199 HydrophobicContact CD1-CB 4.18Å; I86-N199 HydrophobicContact CG1-CB 3.7Å; A195-N199 WeakPolarHBondContact O-CB 3.35Å; A195-N199 PolarHBondContact O-N 3.11Å; A195-N199 PolarHBondContact O-ND2 3.36Å; N199-S202 PolarHBondContact O-OG 3.24Å; N199-R203 WeakPolarHBondContact O-CG 3.42Å
200A89.7Confident79.7Confident1 Ų154.8 Ų54.81%0.00832%0.321CS..Hα-helixtrans-70.4-33.6173.400000112.6I86 F167 L168 L171 M196 F197 V198I86-A200 HydrophobicContact CD1-CB 4.39Å; F167-A200 HydrophobicContact CD1-CB 4.49Å; F167-A200 HydrophobicContact CE1-CB 4.25Å; L168-A200 HydrophobicContact CD1-CB 4.14Å; L171-A200 HydrophobicContact CD1-CB 3.78Å; M196-A200 VanDerWaalsContact O-CB 3.26Å; M196-A200 WeakPolarHBondContact O-CB 3.18Å; M196-A200 PolarHBondContact O-N 3.16Å; F197-A200 PolarHBondContact O-N 3.06Å; V198-A200 VanDerWaalsContact C-N 3.31Å; V198-A200 PolarHBondContact O-N 3.46Å
201R89.3Confident77.7Confident56 Ų5654.5 Ų54.521%0.21134%0.335CS..Hα-helixtrans-72.7-43.4176.9-75-178.9-178.2117.315.1112.8L168 E172 R175 F197 V198 R203 V204 Y205L168-R201 HydrophobicContact CD1-CG 3.91Å; E172-R201 IonicContact OE1-CZ 2.7Å; E172-R201 IonicContact OE1-NE 2.68Å; E172-R201 PolarHBondContact OE1-NE 3.17Å; E172-R201 IonicContact OE1-NH2 2.71Å; E172-R201 PolarHBondContact OE1-NH2 2.74Å; R175-R201 VanDerWaalsContact CZ-NH2 3.33Å; F197-R201 WeakPolarHBondContact O-CG 3.3Å; F197-R201 PolarHBondContact O-N 3.19Å; V198-R201 PolarHBondContact O-N 3.39Å; R201-R203 PolarHBondContact O-N 2.8Å; R201-V204 PolarHBondContact O-N 2.92Å; R201-Y205 CarbonylContact C-O 3.59Å; R201-Y205 HydrophobicContact CB-CE2 4.14Å; R201-Y205 VanDerWaalsContact CD-OH 3.25Å; R201-Y205 WeakPolarHBondContact CD-OH 3.45Å; R201-Y205 HydrophobicContact CG-CE1 4.49Å; R201-Y205 HydrophobicContact CG-CE2 4.24Å; R201-Y205 PolarHBondContact NE-OH 3.3Å; R201-Y205 PolarHBondContact O-N 3.3Å
202S88.2Confident75.5Confident55 Ų5557.2 Ų57.239%0.38534%0.341SS..Hα-helixtrans-62.6-15.1-177.958.20000114.4V198 N199 V204V198-S202 PolarHBondContact O-N 3.2Å; V198-S202 VanDerWaalsContact O-N 3.15Å; V198-S202 PolarHBondContact O-OG 3.23Å; N199-S202 PolarHBondContact O-OG 3.24Å; S202-V204 VanDerWaalsContact C-N 3.34Å
203R87.6Confident73.1Confident9 Ų964.9 Ų64.93%0.03437%0.368CS..THydrogen-bonded Turntrans-80-6.7171.7-61.517374.3-150.5-3.7114.7A82 C164 N199 R201 V234 E236A82-R203 HydrophobicContact CB-CG 3.77Å; C164-R203 HydrophobicContact CB-CB 4.07Å; N199-R203 WeakPolarHBondContact O-CG 3.42Å; R201-R203 PolarHBondContact O-N 2.8Å; R203-V234 CarbonylContact C-O 3.52Å; R203-E236 HydrophobicContact CB-CB 4.11Å; R203-E236 IonicContact CZ-OE2 3.53Å; R203-E236 IonicContact NE-OE1 2.72Å; R203-E236 IonicContact NE-OE2 3.53Å; R203-E236 PolarHBondContact NE-OE2 3.17Å; R203-E236 IonicContact NH2-OE2 2.71Å; R203-E236 PolarHBondContact NH2-OE2 3.07Å; R203-E236 WeakPolarHBondContact O-CB 3.4Å; R203-E236 PolarHBondContact O-N 3.26Å
204V84.8Confident70.6Confident0 Ų069.9 Ų69.90%040%0.401CS..THydrogen-bonded Turntrans-130.2-39.7-177-176.40000111.3C164 V165 L168 R201 S202 V234 L235 Y292C164-V204 HydrophobicContact CB-CG2 4.09Å; V165-V204 HydrophobicContact CG2-CG1 4.37Å; L168-V204 HydrophobicContact CB-CG2 4.15Å; L168-V204 HydrophobicContact CD2-CB 3.83Å; L168-V204 HydrophobicContact CD2-CG1 4.17Å; L168-V204 HydrophobicContact CD2-CG2 3.74Å; R201-V204 PolarHBondContact O-N 2.92Å; S202-V204 VanDerWaalsContact C-N 3.34Å; V204-V234 CarbonylContact C-O 3.58Å; V204-V234 WeakPolarHBondContact CA-O 3.48Å; V204-V234 PolarHBondContact N-O 2.79Å; V204-V234 CarbonylContact O-C 3.56Å; V204-V234 PolarHBondContact O-N 3.08Å; V204-L235 HydrophobicContact CB-CD2 4.47Å; V204-L235 HydrophobicContact CG1-CD2 3.78Å; V204-Y292 HydrophobicContact CG1-CD2 3.87Å; V204-Y292 HydrophobicContact CG1-CE2 4Å
205Y82.1Confident67.9Low17 Ų1776 Ų767%0.06742%0.422CS..EExtended strand (participates in β ladder)trans-150143.817557.4-98.3000113.3L168 R201 R231 E232L168-Y205 HydrophobicContact CD2-CE1 3.94Å; R201-Y205 CarbonylContact C-O 3.59Å; R201-Y205 HydrophobicContact CB-CE2 4.14Å; R201-Y205 VanDerWaalsContact CD-OH 3.25Å; R201-Y205 WeakPolarHBondContact CD-OH 3.45Å; R201-Y205 HydrophobicContact CG-CE1 4.49Å; R201-Y205 HydrophobicContact CG-CE2 4.24Å; R201-Y205 PolarHBondContact NE-OH 3.3Å; R201-Y205 PolarHBondContact O-N 3.3Å; Y205-R231 HydrophobicContact CD2-CB 4.19Å; Y205-R231 HydrophobicContact CD2-CG 4.07Å; Y205-R231 HydrophobicContact CE2-CG 4.46Å; Y205-R231 HydrophobicContact CG-CB 4.31Å; Y205-E232 CarbonylContact C-O 3.59Å; Y205-E232 WeakPolarHBondContact CA-O 3.33Å; Y205-E232 WeakPolarHBondContact CB-O 3.18Å
206R78.4Confident65.1Low136 Ų13682.4 Ų82.451%0.51345%0.45SS..EExtended strand (participates in β ladder)trans-92.1118.3166.5-178.2-178.2-61.2112.51.5108.8E232 V234R206-E232 HydrophobicContact CB-CB 4.28Å; R206-E232 IonicContact CZ-OE2 2.73Å; R206-E232 PolarHBondContact N-O 2.68Å; R206-E232 IonicContact NH1-OE2 3.1Å; R206-E232 PolarHBondContact NH1-OE2 2.87Å; R206-E232 PolarHBondContact O-N 2.9Å; R206-V234 HydrophobicContact CB-CG2 4.2Å
207C63.1Low62.2Low62 Ų6288.6 Ų88.642%0.41949%0.488SS..PPolyproline II helixtrans-73.5127.5155.5-67.60000107.5D209C207-D209 PolarHBondContact O-N 2.99Å
208P55.4Low59.7Low66 Ų6692 Ų9243%0.42952%0.519SS..PPolyproline II helixtrans-63130.1166.826.5-33.1000109.1V229 R230P208-V229 HydrophobicContact CG-CG1 4.07Å; P208-R230 WeakPolarHBondContact CD-O 3.21Å
209D46.6Very low56.9Low157 Ų15796.5 Ų96.584%0.8453%0.534SS*.PPolyproline II helixtrans-59.6152.2173.1-79.9-53.5000111.1C207 G211C207-D209 PolarHBondContact O-N 2.99Å; D209-G211 PolarHBondContact O-N 2.73Å
210G46.7Very low54Low81 Ų81102.3 Ų102.384%0.83557%0.565SS**  trans-7044.4172.100000113.5K212G210-K212 PolarHBondContact O-N 3.23Å
211G37.3Very low51.3Low64 Ų64111.1 Ų111.166%0.6661%0.605SS**  trans-73.942.7-164.200000116.3D209D209-G211 PolarHBondContact O-N 2.73Å
212K33.3Very low48.5Very low190 Ų190118.5 Ų118.583%0.82664%0.639SS**  trans-173.3116.9156.5-100.6146-170.9176.10108.8G210 P214G210-K212 PolarHBondContact O-N 3.23Å; K212-P214 VanDerWaalsContact O-CD 3.25Å; K212-P214 WeakPolarHBondContact O-CD 3.43Å
213K32.7Very low45.9Very low207 Ų207119.8 Ų119.890%0.966%0.661SS**PPolyproline II helixtrans-66.9116.7158.8-69.4-178.3178.5-179.80107.4
214P32.7Very low43.2Very low106 Ų106128.7 Ų128.769%0.68870%0.703SS**PPolyproline II helixtrans-62.3144.3161.729.2-32.9000107.9K212 L216K212-P214 VanDerWaalsContact O-CD 3.25Å; K212-P214 WeakPolarHBondContact O-CD 3.43Å; P214-L216 PolarHBondContact O-N 3.24Å
215K29.7Very low40.6Very low200 Ų200139.6 Ų139.687%0.8774%0.744SS**PPolyproline II helixtrans-64.8126.4168.1-71.6-177.6177.2-179.10107.3T217K215-T217 PolarHBondContact O-N 2.88Å
216L30.9Very low38.2Very low171 Ų171145.5 Ų145.590%0.89578%0.782SS**  trans-71.498.9168.8-7287.3000108.3P214P214-L216 PolarHBondContact O-N 3.24Å
217T28.3Very low36.1Very low130 Ų130143.1 Ų143.180%0.79879%0.791SS**  trans-75.4136.7141.7460000107.2K215K215-T217 PolarHBondContact O-N 2.88Å
218A36.4Very low35.1Very low89 Ų89147.1 Ų147.174%0.73680%0.803SS**SBendtrans-68.1171.5172.200000110.7
219E32.4Very low34.6Very low188 Ų188148.2 Ų148.288%0.87981%0.809SS**  trans70.375.3178.6-56-178.9-167.100114.8
220D28.6Very low34.7Very low163 Ų163151.3 Ų151.387%0.87281%0.809SS**  -161120.9109.7-124.7-25.9000112.5
221H32.5Very low35.6Very low186 Ų186152.7 Ų152.786%0.86179%0.789SS**  trans-123.886.7-178.2-95.8-37.4000111.8
222K30.7Very low37.3Very low212 Ų212154.5 Ų154.592%0.92278%0.78SS**SBendtrans-169136.1150.2-104.1144-171.8174.80112.6
223G33.4Very low39.3Very low81 Ų81148.9 Ų148.984%0.83576%0.758SS**  trans88.116.5151.800000119.4R225G223-R225 PolarHBondContact O-N 3.42Å
224Q30.8Very low41.5Very low196 Ų196141.3 Ų141.392%0.91673%0.729SS**  trans-83.9113.5174.6-153.2163.835.100111.2
225R31.1Very low44Very low230 Ų230137.9 Ų137.987%0.86871%0.705SS**  trans-59.1146169.2-69.9179.3175.9175.6-2.2109.4G223 A227G223-R225 PolarHBondContact O-N 3.42Å; R225-A227 PolarHBondContact O-N 3.24Å
226V30.8Very low46.6Very low141 Ų141130.1 Ų130.186%0.85567%0.672SS**  trans-55.5117.5170.3179.20000107.8E228V226-E228 PolarHBondContact O-N 3.45Å
227A35.5Very low49.1Very low85 Ų85124.9 Ų124.970%0.70264%0.642SS**  trans-67.2116179.700000108.9R225 V229R225-A227 PolarHBondContact O-N 3.24Å; A227-V229 PolarHBondContact O-N 2.88Å
228E40.6Very low51.9Low147 Ų147119.3 Ų119.369%0.68761%0.608SS**  trans-59.5115.1172.9-73.6-174.3115.600109.1V226 R230V226-E228 PolarHBondContact O-N 3.45Å; E228-R230 VanDerWaalsContact C-N 3.32Å; E228-R230 PolarHBondContact O-N 2.84Å
229V45.6Very low54.3Low89 Ų89116 Ų11654%0.53958%0.579SS.*  trans-66.795.3173.9178.90000107.1P208 A227 R231P208-V229 HydrophobicContact CG-CG1 4.07Å; A227-V229 PolarHBondContact O-N 2.88Å; V229-R231 PolarHBondContact O-N 3.24Å
230R47.8Very low57Low222 Ų222107 Ų10784%0.83854%0.537SS*.  trans-56.2106.6172.9-77.8-174.5169.8-170.5-4.7108.5P208 E228P208-R230 WeakPolarHBondContact CD-O 3.21Å; E228-R230 VanDerWaalsContact C-N 3.32Å; E228-R230 PolarHBondContact O-N 2.84Å
231R66.5Low60Low110 Ų110100 Ų10042%0.41550%0.499SS..PPolyproline II helixtrans-76.8120.2175.2-62.9176.9-171.5157.113.5107.4Y205 V229 L233 D300Y205-R231 HydrophobicContact CD2-CB 4.19Å; Y205-R231 HydrophobicContact CD2-CG 4.07Å; Y205-R231 HydrophobicContact CE2-CG 4.46Å; Y205-R231 HydrophobicContact CG-CB 4.31Å; V229-R231 PolarHBondContact O-N 3.24Å; R231-L233 PolarHBondContact O-N 2.67Å; R231-D300 IonicContact CZ-OD1 2.65Å; R231-D300 IonicContact CZ-OD2 2.72Å; R231-D300 IonicContact NH1-OD1 3.5Å; R231-D300 PolarHBondContact NH1-OD1 2.84Å; R231-D300 IonicContact NH1-OD2 3.51Å; R231-D300 PolarHBondContact NH1-OD2 2.92Å; R231-D300 IonicContact NH2-OD1 3.32Å
232E72.8Confident62.7Low102 Ų10296 Ų9648%0.47748%0.481SS..EExtended strand (participates in β ladder)trans-72.9124.5171.6-63.5179.7159.800108.3Y205 R206 V234Y205-E232 CarbonylContact C-O 3.59Å; Y205-E232 WeakPolarHBondContact CA-O 3.33Å; Y205-E232 WeakPolarHBondContact CB-O 3.18Å; R206-E232 HydrophobicContact CB-CB 4.28Å; R206-E232 IonicContact CZ-OE2 2.73Å; R206-E232 PolarHBondContact N-O 2.68Å; R206-E232 IonicContact NH1-OE2 3.1Å; R206-E232 PolarHBondContact NH1-OE2 2.87Å; R206-E232 PolarHBondContact O-N 2.9Å; E232-V234 PolarHBondContact O-N 3.27Å
233L76.2Confident65.5Low72 Ų7287.4 Ų87.438%0.37745%0.446SS..EExtended strand (participates in β ladder)trans-69.2121175.6-169.877.8000109.4R231 L235 Y292R231-L233 PolarHBondContact O-N 2.67Å; L233-L235 HydrophobicContact CD1-CD2 3.84Å; L233-L235 HydrophobicContact CD1-CG 4.15Å; L233-L235 HydrophobicContact CD2-CD1 4.12Å; L233-L235 HydrophobicContact CD2-CG 4.19Å; L233-L235 HydrophobicContact CG-CD1 4.4Å; L233-L235 HydrophobicContact CG-CD2 4.18Å; L233-L235 HydrophobicContact CG-CG 3.95Å; L233-Y292 HydrophobicContact CD1-CD1 3.9Å; L233-Y292 HydrophobicContact CD1-CD2 3.72Å; L233-Y292 HydrophobicContact CD1-CE1 3.72Å; L233-Y292 HydrophobicContact CD1-CE2 3.53Å; L233-Y292 HydrophobicContact CD1-CG 3.91Å
234V78.8Confident68.3Low48 Ų4883.6 Ų83.629%0.29141%0.406SS..  trans-136.482.4179.1-176.30000107.5R203 V204 R206 E232 E236R203-V234 CarbonylContact C-O 3.52Å; V204-V234 CarbonylContact C-O 3.58Å; V204-V234 WeakPolarHBondContact CA-O 3.48Å; V204-V234 PolarHBondContact N-O 2.79Å; V204-V234 CarbonylContact O-C 3.56Å; V204-V234 PolarHBondContact O-N 3.08Å; R206-V234 HydrophobicContact CB-CG2 4.2Å; E232-V234 PolarHBondContact O-N 3.27Å; V234-E236 PolarHBondContact O-N 3.3Å
235L83.6Confident71.1Confident33 Ų3377.5 Ų77.517%0.17338%0.382CS..  trans-80.4105.2179.9-56.2-177.3000109.6V165 V204 L233 K237 L288 Y292V165-L235 HydrophobicContact CG2-CD2 4.06Å; V204-L235 HydrophobicContact CB-CD2 4.47Å; V204-L235 HydrophobicContact CG1-CD2 3.78Å; L233-L235 HydrophobicContact CD1-CD2 3.84Å; L233-L235 HydrophobicContact CD1-CG 4.15Å; L233-L235 HydrophobicContact CD2-CD1 4.12Å; L233-L235 HydrophobicContact CD2-CG 4.19Å; L233-L235 HydrophobicContact CG-CD1 4.4Å; L233-L235 HydrophobicContact CG-CD2 4.18Å; L233-L235 HydrophobicContact CG-CG 3.95Å; L235-K237 PolarHBondContact O-N 2.85Å; L235-L288 HydrophobicContact CB-CB 4.26Å; L235-L288 HydrophobicContact CB-CD1 4.17Å; L235-L288 HydrophobicContact CD1-CB 3.77Å; L235-Y292 HydrophobicContact CD2-CD2 4.16Å; L235-Y292 HydrophobicContact CD2-CG 4.49Å
236E84.9Confident73.9Confident37 Ų3773.3 Ų73.317%0.17337%0.372CS..PPolyproline II helixtrans-66.7127.6176.4-170.6-163.3-122.500110.4T80 C164 R203 V234T80-E236 VanDerWaalsContact CB-OE1 3.29Å; T80-E236 WeakPolarHBondContact CB-OE1 3.31Å; T80-E236 WeakPolarHBondContact CG2-OE1 3.37Å; T80-E236 PolarHBondContact OG1-OE1 3.41Å; C164-E236 PolarHBondContact SG-O 2.82Å; R203-E236 HydrophobicContact CB-CB 4.11Å; R203-E236 IonicContact CZ-OE2 3.53Å; R203-E236 IonicContact NE-OE1 2.72Å; R203-E236 IonicContact NE-OE2 3.53Å; R203-E236 PolarHBondContact NE-OE2 3.17Å; R203-E236 IonicContact NH2-OE2 2.71Å; R203-E236 PolarHBondContact NH2-OE2 3.07Å; R203-E236 WeakPolarHBondContact O-CB 3.4Å; R203-E236 PolarHBondContact O-N 3.26Å; V234-E236 PolarHBondContact O-N 3.3Å
237K84.5Confident76.8Confident61 Ų6166.8 Ų66.827%0.26533%0.333SS..PPolyproline II helixtrans-79.1143.2172-62.5-174.1-179.3-167.60110.4L235 P239 D285 L288L235-K237 PolarHBondContact O-N 2.85Å; K237-P239 WeakPolarHBondContact O-CD 3.49Å; K237-D285 WeakPolarHBondContact CE-OD1 3.27Å; K237-D285 IonicContact NZ-OD1 2.77Å; K237-D285 PolarHBondContact NZ-OD1 3.4Å; K237-D285 IonicContact NZ-OD2 2.66Å; K237-D285 PolarHBondContact NZ-OD2 3.33Å; K237-L288 HydrophobicContact CG-CD1 4.14Å
238S86.2Confident79.4Confident13 Ų1364 Ų649%0.09131%0.306CS..PPolyproline II helixtrans-74.2123.9173.9179.10000110.1K240 W241 Y452S238-K240 PolarHBondContact O-N 3.29Å; S238-W241 WeakPolarHBondContact O-CB 3.16Å; S238-W241 PolarHBondContact O-N 3.49Å; S238-Y452 PolarHBondContact OG-OH 3.31Å; S238-Y452 VanDerWaalsContact OG-OH 3.07Å
239P87.4Confident81.7Confident20 Ų2060.7 Ų60.713%0.1329%0.293CS..Hα-helixtrans-59.4-30.5179.1-27.637000113.9V77 T80 K237 W241 E242 V243 Y452V77-P239 HydrophobicContact CG1-CB 3.53Å; T80-P239 HydrophobicContact CG2-CG 3.65Å; K237-P239 WeakPolarHBondContact O-CD 3.49Å; P239-W241 PolarHBondContact O-N 3.07Å; P239-E242 PolarHBondContact O-N 2.93Å; P239-V243 PolarHBondContact O-N 3.32Å; P239-Y452 HydrophobicContact CB-CE1 4.38Å
240K89.5Confident83.9Confident0 Ų060.6 Ų60.60%029%0.287CS..Hα-helixtrans-61.8-25.3172.6-93.9-170.9179.5-177.10113.1V77 S238 L244 Y423 L450 Y452 E457V77-K240 HydrophobicContact CG1-CG 4.46Å; V77-K240 HydrophobicContact CG2-CG 4.23Å; S238-K240 PolarHBondContact O-N 3.29Å; K240-L244 WeakPolarHBondContact O-CB 3.44Å; K240-L244 PolarHBondContact O-N 2.91Å; K240-L244 VanDerWaalsContact O-N 3.12Å; K240-Y423 HydrophobicContact CB-CE2 3.72Å; K240-Y423 HydrophobicContact CD-CE1 4.15Å; K240-Y423 HydrophobicContact CD-CE2 4.1Å; K240-Y423 HydrophobicContact CG-CE2 4.41Å; K240-Y423 PolarHBondContact NZ-O 2.71Å; K240-L450 WeakPolarHBondContact CE-O 3.06Å; K240-L450 HydrophobicContact CG-CB 4.47Å; K240-L450 PolarHBondContact NZ-O 3.24Å; K240-Y452 HydrophobicContact CB-CE2 4.44Å; K240-Y452 HydrophobicContact CD-CD2 4Å; K240-Y452 HydrophobicContact CD-CE2 3.53Å; K240-Y452 HydrophobicContact CG-CD2 4.34Å; K240-Y452 HydrophobicContact CG-CE1 4.08Å; K240-Y452 HydrophobicContact CG-CE2 3.76Å; K240-E457 IonicContact NZ-OE1 2.81Å; K240-E457 PolarHBondContact NZ-OE1 2.72Å; K240-E457 IonicContact NZ-OE2 3.66Å; K240-E457 PolarHBondContact NZ-OE2 2.98Å
241W90.2Very high85.7Confident15 Ų1550.2 Ų50.26%0.05725%0.248CC..Hα-helixtrans-76.4-38.3177.3-62.3-15.1000112.3D163 S238 P239 L244 T245 L279 L288 Y423D163-W241 HydrophobicContact CB-CH2 3.85Å; D163-W241 HydrophobicContact CB-CZ2 4.22Å; S238-W241 WeakPolarHBondContact O-CB 3.16Å; S238-W241 PolarHBondContact O-N 3.49Å; P239-W241 PolarHBondContact O-N 3.07Å; W241-L244 PolarHBondContact O-N 3.15Å; W241-T245 PolarHBondContact O-N 3Å; W241-T245 PolarHBondContact O-OG1 3.06Å; W241-T245 VanDerWaalsContact O-OG1 3.14Å; W241-L279 HydrophobicContact CB-CD1 4.3Å; W241-L279 HydrophobicContact CB-CD2 3.82Å; W241-L279 HydrophobicContact CD2-CD1 4.22Å; W241-L279 HydrophobicContact CD2-CD2 4.19Å; W241-L279 HydrophobicContact CE3-CD1 4.26Å; W241-L279 HydrophobicContact CG-CD1 4.27Å; W241-L279 HydrophobicContact CG-CD2 3.62Å; W241-L288 HydrophobicContact CH2-CD2 3.97Å; W241-L288 HydrophobicContact CH2-CG 4.46Å; W241-L288 HydrophobicContact CZ3-CD1 4.09Å; W241-L288 HydrophobicContact CZ3-CD2 3.91Å; W241-L288 HydrophobicContact CZ3-CG 3.98Å; W241-Y423 PolarHBondContact NE1-OH 3.41Å
242E89.1Confident86.7Confident103 Ų10352.2 Ų52.248%0.48126%0.255SS..Hα-helixtrans-68-46.2-179.6-62.3178.5161.100110.2P239 L244 T245 E246P239-E242 PolarHBondContact O-N 2.93Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.17Å; E242-T245 WeakPolarHBondContact CA-OG1 3.25Å; E242-T245 PolarHBondContact O-N 2.72Å; E242-T245 PolarHBondContact O-OG1 2.76Å; E242-E246 PolarHBondContact O-N 3.38Å
243V90.6Very high87.3Confident31 Ų3153.3 Ų53.319%0.18826%0.258CS..Hα-helixtrans-62.9-37.9172.9176.80000111.9L75 V77 P239 E246 V247 L450L75-V243 HydrophobicContact CB-CG1 4.36Å; L75-V243 HydrophobicContact CD1-CG1 3.79Å; V77-V243 HydrophobicContact CG1-CG2 4.42Å; V77-V243 HydrophobicContact CG2-CB 4.4Å; V77-V243 HydrophobicContact CG2-CG1 4.37Å; V77-V243 HydrophobicContact CG2-CG2 4.17Å; P239-V243 PolarHBondContact O-N 3.32Å; V243-E246 PolarHBondContact O-N 3.37Å; V243-V247 HydrophobicContact CG1-CG2 4.47Å; V243-V247 WeakPolarHBondContact O-CG2 3.28Å; V243-V247 PolarHBondContact O-N 2.94Å; V243-L450 HydrophobicContact CG1-CD2 4.35Å; V243-L450 HydrophobicContact CG1-CG 4.28Å
244L91.1Very high87.8Confident1 Ų152.9 Ų52.91%0.00526%0.255CS..Hα-helixtrans-63.8-40.4174.5178.664.3000112K240 W241 E242 L248 L276 L279 V421 Y423 L450K240-L244 WeakPolarHBondContact O-CB 3.44Å; K240-L244 PolarHBondContact O-N 2.91Å; K240-L244 VanDerWaalsContact O-N 3.12Å; W241-L244 PolarHBondContact O-N 3.15Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.17Å; L244-L248 HydrophobicContact CD1-CD1 4.05Å; L244-L248 HydrophobicContact CD1-CG 4.2Å; L244-L248 HydrophobicContact CG-CD1 4Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 VanDerWaalsContact O-CG 3.24Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 3.01Å; L244-L276 HydrophobicContact CD2-CD2 3.65Å; L244-L279 HydrophobicContact CD2-CD2 4.39Å; L244-V421 HydrophobicContact CD1-CG1 3.75Å; L244-Y423 HydrophobicContact CD2-CD2 4.23Å; L244-Y423 HydrophobicContact CD2-CE2 4.48Å; L244-L450 HydrophobicContact CB-CD2 4.22Å
245T90.1Very high88Confident68 Ų6851.7 Ų51.742%0.41725%0.247SC..Hα-helixtrans-66.9-38.8175.342.50000112.4W241 E242 L248 D249W241-T245 PolarHBondContact O-N 3Å; W241-T245 PolarHBondContact O-OG1 3.06Å; W241-T245 VanDerWaalsContact O-OG1 3.14Å; E242-T245 WeakPolarHBondContact CA-OG1 3.25Å; E242-T245 PolarHBondContact O-N 2.72Å; E242-T245 PolarHBondContact O-OG1 2.76Å; T245-L248 PolarHBondContact O-N 2.91Å; T245-D249 PolarHBondContact O-N 2.94Å
246E91.1Very high87.9Confident141 Ų14157 Ų5766%0.65927%0.27SS*.Hα-helixtrans-61-49.5175.3-176.4173.5-158.800111.8E242 V243 L248 D249 E250E242-E246 PolarHBondContact O-N 3.38Å; V243-E246 PolarHBondContact O-N 3.37Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.2Å; E246-D249 PolarHBondContact O-N 3.35Å; E246-E250 WeakPolarHBondContact O-CB 3.24Å; E246-E250 PolarHBondContact O-N 2.91Å
247V90.9Very high87.6Confident4 Ų463.6 Ų63.62%0.02430%0.302CS..Hα-helixtrans-61.6-39.1176.4168.50000112L75 V243 E250 I251 V421 Y448L75-V247 HydrophobicContact CD1-CG2 3.43Å; L75-V247 VanDerWaalsContact CD1-CG2 3.43Å; V243-V247 HydrophobicContact CG1-CG2 4.47Å; V243-V247 WeakPolarHBondContact O-CG2 3.28Å; V243-V247 PolarHBondContact O-N 2.94Å; V247-E250 PolarHBondContact O-N 3.23Å; V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.45Å; V247-I251 WeakPolarHBondContact O-CB 3.48Å; V247-I251 WeakPolarHBondContact O-CD1 3.46Å; V247-I251 VanDerWaalsContact O-CG1 3.23Å; V247-I251 WeakPolarHBondContact O-CG1 3.32Å; V247-I251 PolarHBondContact O-N 2.84Å; V247-V421 HydrophobicContact CG1-CG2 4.1Å; V247-Y448 HydrophobicContact CB-CE1 4.42Å; V247-Y448 HydrophobicContact CG1-CD1 3.76Å; V247-Y448 HydrophobicContact CG1-CD2 3.94Å; V247-Y448 HydrophobicContact CG1-CE1 3.74Å; V247-Y448 HydrophobicContact CG1-CE2 3.96Å; V247-Y448 HydrophobicContact CG1-CG 3.82Å; V247-Y448 HydrophobicContact CG2-CD1 3.86Å; V247-Y448 HydrophobicContact CG2-CE1 3.89Å
248L89.8Confident87Confident28 Ų2863.6 Ų63.615%0.14731%0.312CS..Hα-helixtrans-70.2-35.6177.7-72.1173000112.4L244 T245 E246 R252 V263 I265 I280L244-L248 HydrophobicContact CD1-CD1 4.05Å; L244-L248 HydrophobicContact CD1-CG 4.2Å; L244-L248 HydrophobicContact CG-CD1 4Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 VanDerWaalsContact O-CG 3.24Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 3.01Å; T245-L248 PolarHBondContact O-N 2.91Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.2Å; L248-R252 WeakPolarHBondContact O-CB 3.18Å; L248-R252 PolarHBondContact O-N 3.33Å; L248-V263 HydrophobicContact CD2-CG1 4.26Å; L248-I265 HydrophobicContact CD1-CD1 4.2Å; L248-I265 HydrophobicContact CD2-CD1 4.16Å; L248-I280 HydrophobicContact CD1-CD1 4.03Å; L248-I280 HydrophobicContact CD1-CG1 4.17Å
249D89.8Confident86.1Confident76 Ų7673.9 Ų73.941%0.40635%0.349SS..Hα-helixtrans-76.1-26.4173.6-85.3-27.2000113.2T245 E246 R252 K253T245-D249 PolarHBondContact O-N 2.94Å; E246-D249 PolarHBondContact O-N 3.35Å; D249-R252 IonicContact OD1-NH1 3.89Å; D249-K253 WeakPolarHBondContact O-CD 3.37Å; D249-K253 WeakPolarHBondContact O-CE 3.4Å; D249-K253 VanDerWaalsContact O-CG 3.27Å; D249-K253 WeakPolarHBondContact O-CG 3.38Å; D249-K253 PolarHBondContact O-N 2.91Å
250E90.5Very high85.3Confident88 Ų8875.8 Ų75.841%0.41136%0.362SS..Hα-helixtrans-63.1-58.7166.8-172.3-157.6167.400110.4E246 V247 R252 K253 E254 R446 Y448E246-E250 WeakPolarHBondContact O-CB 3.24Å; E246-E250 PolarHBondContact O-N 2.91Å; V247-E250 PolarHBondContact O-N 3.23Å; E250-R252 PolarHBondContact O-N 3.39Å; E250-K253 PolarHBondContact O-N 3.46Å; E250-E254 PolarHBondContact O-N 3.41Å; E250-R446 IonicContact OE1-NH2 3.6Å; E250-Y448 PolarHBondContact OE1-OH 2.85Å; E250-Y448 VanDerWaalsContact OE1-OH 3.1Å; E250-Y448 WeakPolarHBondContact OE2-CE1 3.19Å; E250-Y448 PolarHBondContact OE2-OH 3.37Å
251I87.4Confident84.7Confident3 Ų376.2 Ų76.22%0.01537%0.366CS..Hα-helixtrans-56.9-34.6177.7-66.9163.9000111V247 N255 V263 F419 V421 Y448V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.45Å; V247-I251 WeakPolarHBondContact O-CB 3.48Å; V247-I251 WeakPolarHBondContact O-CD1 3.46Å; V247-I251 VanDerWaalsContact O-CG1 3.23Å; V247-I251 WeakPolarHBondContact O-CG1 3.32Å; V247-I251 PolarHBondContact O-N 2.84Å; I251-N255 WeakPolarHBondContact O-CB 3.45Å; I251-N255 PolarHBondContact O-N 3.26Å; I251-V263 HydrophobicContact CG2-CG2 3.74Å; I251-F419 HydrophobicContact CD1-CB 3.99Å; I251-F419 HydrophobicContact CD1-CG 4.27Å; I251-F419 HydrophobicContact CG1-CB 4.43Å; I251-F419 HydrophobicContact CG1-CD1 4.16Å; I251-F419 HydrophobicContact CG1-CG 4.17Å; I251-F419 HydrophobicContact CG2-CB 4.35Å; I251-F419 HydrophobicContact CG2-CD1 4.46Å; I251-F419 HydrophobicContact CG2-CD2 3.55Å; I251-F419 HydrophobicContact CG2-CE2 3.9Å; I251-F419 HydrophobicContact CG2-CG 3.87Å; I251-F419 HydrophobicContact CG2-CZ 4.49Å; I251-V421 HydrophobicContact CD1-CG2 4.15Å; I251-Y448 HydrophobicContact CD1-CD2 4.28Å; I251-Y448 HydrophobicContact CD1-CE2 3.75Å; I251-Y448 HydrophobicContact CG1-CE2 4.01Å
252R86.1Confident84.5Confident152 Ų15279 Ų7957%0.57438%0.377SS*.Hα-helixtrans-67.8-34.6177.3-174178.4-175.1-172.62.4113.4L248 D249 E250 Q256L248-R252 WeakPolarHBondContact O-CB 3.18Å; L248-R252 PolarHBondContact O-N 3.33Å; D249-R252 IonicContact OD1-NH1 3.89Å; E250-R252 PolarHBondContact O-N 3.39Å; R252-Q256 VanDerWaalsContact O-CG 3.32Å; R252-Q256 WeakPolarHBondContact O-CG 3.3Å; R252-Q256 PolarHBondContact O-N 3.48Å
253K86.8Confident84.5Confident125 Ų12574.2 Ų74.254%0.54335%0.354SS..Hα-helixtrans-72-46.3173.6-67.4157.5-168.3162.40110.4D249 E250 N255 Q256 E257D249-K253 WeakPolarHBondContact O-CD 3.37Å; D249-K253 WeakPolarHBondContact O-CE 3.4Å; D249-K253 VanDerWaalsContact O-CG 3.27Å; D249-K253 WeakPolarHBondContact O-CG 3.38Å; D249-K253 PolarHBondContact O-N 2.91Å; E250-K253 PolarHBondContact O-N 3.46Å; K253-N255 VanDerWaalsContact C-N 3.27Å; K253-N255 PolarHBondContact O-N 2.89Å; K253-Q256 WeakPolarHBondContact O-CA 3.21Å; K253-Q256 WeakPolarHBondContact O-CB 3.33Å; K253-Q256 PolarHBondContact O-N 3.17Å; K253-E257 PolarHBondContact O-N 3.07Å; K253-E257 VanDerWaalsContact O-N 3.09Å
254E85.3Confident84.5Confident63 Ų6372.8 Ų72.829%0.29435%0.346SS..Hα-helixtrans-59.6-38.6175.9-170.6175.9160.100111.7E250 Q256 E257 A258 F419 R446E250-E254 PolarHBondContact O-N 3.41Å; E254-Q256 PolarHBondContact O-N 3.3Å; E254-E257 PolarHBondContact O-N 2.87Å; E254-A258 WeakPolarHBondContact O-CA 3.32Å; E254-A258 VanDerWaalsContact O-CB 3.25Å; E254-A258 WeakPolarHBondContact O-CB 3.28Å; E254-A258 PolarHBondContact O-N 3Å; E254-F419 HydrophobicContact CG-CZ 4.31Å; E254-R446 IonicContact OE1-NH1 3.09Å; E254-R446 PolarHBondContact OE1-NH1 2.9Å; E254-R446 VanDerWaalsContact OE1-NH1 3.09Å; E254-R446 IonicContact OE2-CZ 3.19Å; E254-R446 IonicContact OE2-NH1 2.81Å; E254-R446 PolarHBondContact OE2-NH1 3.13Å; E254-R446 IonicContact OE2-NH2 2.66Å; E254-R446 PolarHBondContact OE2-NH2 3.25Å
255N83.8Confident84.6Confident23 Ų2372.7 Ų72.712%0.12335%0.345CS..Hα-helixtrans-68.4-10.2172.8-84-20.5000115.1I251 K253 G261 F419I251-N255 WeakPolarHBondContact O-CB 3.45Å; I251-N255 PolarHBondContact O-N 3.26Å; K253-N255 VanDerWaalsContact C-N 3.27Å; K253-N255 PolarHBondContact O-N 2.89Å; N255-G261 PolarHBondContact ND2-O 3.26Å; N255-G261 WeakPolarHBondContact OD1-CA 3.39Å; N255-G261 PolarHBondContact OD1-N 3.32Å; N255-G261 PolarHBondContact OD1-O 3.24Å; N255-F419 WeakPolarHBondContact OD1-CE2 3.48Å
256Q80.9Confident84.6Confident144 Ų14469.5 Ų69.567%0.67333%0.325SS*.Hα-helixtrans-95.6-28.9171.8-71167.611.300111.9R252 K253 E254R252-Q256 VanDerWaalsContact O-CG 3.32Å; R252-Q256 WeakPolarHBondContact O-CG 3.3Å; R252-Q256 PolarHBondContact O-N 3.48Å; K253-Q256 WeakPolarHBondContact O-CA 3.21Å; K253-Q256 WeakPolarHBondContact O-CB 3.33Å; K253-Q256 PolarHBondContact O-N 3.17Å; E254-Q256 PolarHBondContact O-N 3.3Å
257E78.9Confident84.5Confident177 Ų17762.8 Ų62.883%0.82729%0.294SS*.Hα-helixtrans-89.5-31.4179.2-65.7176.7-170.500112.8K253 E254K253-E257 PolarHBondContact O-N 3.07Å; K253-E257 VanDerWaalsContact O-N 3.09Å; E254-E257 PolarHBondContact O-N 2.87Å
258A71.6Confident84.3Confident60 Ų6062.8 Ų62.850%0.49629%0.294SS..SBendtrans-110.5-165.3-178.900000112.3E254E254-A258 WeakPolarHBondContact O-CA 3.32Å; E254-A258 VanDerWaalsContact O-CB 3.25Å; E254-A258 WeakPolarHBondContact O-CB 3.28Å; E254-A258 PolarHBondContact O-N 3Å
259R68.1Low84.1Confident229 Ų22964 Ų6486%0.86430%0.301SS*.SBendtrans-74.5145172.9-69.9-177.1177.1-179.1-0.9110.3G261R259-G261 PolarHBondContact O-N 3.36Å
260P70.5Confident84Confident61 Ų6164.8 Ų64.840%0.39631%0.305SS..  trans-62.1102.9-179.124.8-34.5000112E391P260-E391 HydrophobicContact CB-CB 4.17Å; P260-E391 HydrophobicContact CG-CB 4.5Å; P260-E391 VanDerWaalsContact CG-OE2 3.28Å; P260-E391 WeakPolarHBondContact CG-OE2 3.45Å
261G75.9Confident83.8Confident8 Ų865.5 Ų65.58%0.08230%0.304CS..  trans-83.9129.5173.500000111.7N255 R259N255-G261 PolarHBondContact ND2-O 3.26Å; N255-G261 WeakPolarHBondContact OD1-CA 3.39Å; N255-G261 PolarHBondContact OD1-N 3.32Å; N255-G261 PolarHBondContact OD1-O 3.24Å; R259-G261 PolarHBondContact O-N 3.36Å
262R86.7Confident83.8Confident74 Ų7465.5 Ų65.528%0.27930%0.304SS..  trans-74.2141.5174.1-62.2170-179.5-171.1-4.1110.3L393 V415 P417 A418 F419R262-L393 HydrophobicContact CG-CB 4.42Å; R262-V415 HydrophobicContact CB-CG1 4.28Å; R262-V415 WeakPolarHBondContact CD-O 3.31Å; R262-V415 PolarHBondContact NH1-O 2.68Å; R262-P417 WeakPolarHBondContact O-CA 3.42Å; R262-A418 PolarHBondContact O-N 3.03Å; R262-F419 PolarHBondContact O-N 3.08Å
263V89.2Confident83.9Confident3 Ų358.9 Ų58.92%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-110.8130.9-176.7-170.90000110L248 I251 I265 L393 T394 V395 F419 V421L248-V263 HydrophobicContact CD2-CG1 4.26Å; I251-V263 HydrophobicContact CG2-CG2 3.74Å; V263-I265 HydrophobicContact CG1-CG1 4.25Å; V263-L393 PolarHBondContact N-O 2.78Å; V263-T394 HydrophobicContact CB-CG2 4.35Å; V263-T394 HydrophobicContact CG1-CG2 4.47Å; V263-T394 WeakPolarHBondContact O-CA 3.38Å; V263-V395 PolarHBondContact O-N 3.05Å; V263-F419 WeakPolarHBondContact CA-O 3.32Å; V263-F419 HydrophobicContact CG2-CB 4.37Å; V263-F419 HydrophobicContact CG2-CD2 4.4Å; V263-V421 HydrophobicContact CG1-CG2 4.37Å
264L90.9Very high84Confident0 Ų055.1 Ų55.10%027%0.273CS..EExtended strand (participates in β ladder)trans-116114.8170.7177.664.1000109.6V395 H397 V411 P417 F419 V420 V421 F429L264-V395 WeakPolarHBondContact CA-O 3.43Å; L264-V395 HydrophobicContact CD1-CB 4.01Å; L264-V395 HydrophobicContact CD1-CG1 3.94Å; L264-H397 HydrophobicContact CD1-CB 4.08Å; L264-V411 HydrophobicContact CD1-CG1 4.35Å; L264-P417 HydrophobicContact CB-CB 3.79Å; L264-P417 HydrophobicContact CB-CG 3.96Å; L264-P417 HydrophobicContact CD2-CG 4.15Å; L264-F419 PolarHBondContact N-O 3.43Å; L264-V420 HydrophobicContact CB-CG2 4.41Å; L264-V420 CarbonylContact O-C 3.58Å; L264-V420 WeakPolarHBondContact O-CA 3.34Å; L264-V421 PolarHBondContact O-N 3.05Å; L264-F429 HydrophobicContact CD2-CZ 4.3Å
265I91.8Very high84.1Confident0 Ų053.1 Ų53.10%026%0.264CS..EExtended strand (participates in β ladder)trans-96.8126.7174.2-52.6178.1000108.1L248 V263 L276 I280 T394 V395 I396 H397 V421L248-I265 HydrophobicContact CD1-CD1 4.2Å; L248-I265 HydrophobicContact CD2-CD1 4.16Å; V263-I265 HydrophobicContact CG1-CG1 4.25Å; I265-L276 HydrophobicContact CG2-CD1 4.31Å; I265-I280 HydrophobicContact CD1-CD1 3.71Å; I265-T394 HydrophobicContact CD1-CG2 3.66Å; I265-T394 HydrophobicContact CG1-CG2 4.06Å; I265-V395 PolarHBondContact N-O 2.88Å; I265-I396 HydrophobicContact CB-CG1 4.35Å; I265-I396 HydrophobicContact CD1-CG1 4.43Å; I265-I396 WeakPolarHBondContact O-CA 3.26Å; I265-H397 PolarHBondContact O-N 3.39Å; I265-V421 WeakPolarHBondContact CA-O 3.37Å; I265-V421 HydrophobicContact CG1-CB 4.43Å
266C90.5Very high84.3Confident0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-118.1126.7177.4-69.90000110.9H397 L399 V421 L422 Y423 F429C266-H397 WeakPolarHBondContact CA-O 3.44Å; C266-L399 HydrophobicContact CB-CD1 4.39Å; C266-L399 HydrophobicContact CB-CD2 3.86Å; C266-L399 HydrophobicContact CB-CG 4.07Å; C266-V421 PolarHBondContact N-O 2.92Å; C266-L422 HydrophobicContact CB-CD2 4.21Å; C266-Y423 WeakPolarHBondContact O-CB 3.2Å; C266-Y423 PolarHBondContact O-N 3.13Å; C266-F429 HydrophobicContact CB-CD1 4.4Å; C266-F429 HydrophobicContact CB-CE1 3.86Å; C266-F429 WeakPolarHBondContact SG-CE1 3.47Å
267A89.9Confident84.7Confident0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-130.7166.8177.400000110D269 L276 H397 P398 L399 Y423A267-D269 PolarHBondContact O-N 3.34Å; A267-L276 HydrophobicContact CB-CD1 3.77Å; A267-H397 PolarHBondContact N-O 3.2Å; A267-P398 WeakPolarHBondContact O-CA 3.38Å; A267-L399 WeakPolarHBondContact O-CG 3.38Å; A267-L399 PolarHBondContact O-N 2.82Å; A267-Y423 HydrophobicContact CB-CD1 4.19Å; A267-Y423 HydrophobicContact CB-CG 4.46Å
268S86.3Confident85.1Confident4 Ų444 Ų443%0.02822%0.221CC..SBendtrans-58.1-47.6-168.959.40000115.6Q161 T272 R400 D424Q161-S268 PolarHBondContact NE2-OG 3.47Å; S268-T272 PolarHBondContact OG-OG1 3.1Å; S268-T272 VanDerWaalsContact OG-OG1 3.12Å; S268-R400 WeakPolarHBondContact O-CB 3.25Å; S268-R400 PolarHBondContact O-N 2.76Å; S268-D424 WeakPolarHBondContact CB-OD2 3.39Å; S268-D424 PolarHBondContact N-OD2 3.2Å; S268-D424 PolarHBondContact OG-OD2 3.31Å
269D85.9Confident85.9Confident54 Ų5441.6 Ų41.629%0.28920%0.2SC..SBendtrans-143.9161.2-163-47.9-80.2000110.7A267 R271 T272 C273A267-D269 PolarHBondContact O-N 3.34Å; D269-R271 PolarHBondContact O-N 3.24Å; D269-R271 VanDerWaalsContact O-N 3.12Å; D269-T272 PolarHBondContact N-OG1 2.86Å; D269-T272 VanDerWaalsContact N-OG1 3.17Å; D269-T272 PolarHBondContact O-N 3.04Å; D269-T272 VanDerWaalsContact O-N 3.08Å; D269-T272 PolarHBondContact O-OG1 3.34Å; D269-C273 PolarHBondContact O-N 3.4Å; D269-C273 PolarHBondContact O-SG 3.49Å
270D86.8Confident86.8Confident93 Ų9334.4 Ų34.450%0.49718%0.177SC..Hα-helixtrans-54.4-35.9179-57.1-73.5000112.9C273 A274 P398D270-C273 WeakPolarHBondContact O-CB 3.3Å; D270-C273 PolarHBondContact O-N 2.9Å; D270-A274 WeakPolarHBondContact O-CB 3.32Å; D270-A274 PolarHBondContact O-N 3.12Å; D270-P398 WeakPolarHBondContact OD1-CG 3.48Å
271R86.6Confident87.5Confident102 Ų10237.6 Ų37.639%0.38519%0.185SC..Hα-helixtrans-64.9-46.2177.4178.5176174.1157.312.9112.4Y162 T166 D269 C273 A274 Q275Y162-R271 HydrophobicContact CE1-CG 4.47Å; T166-R271 PolarHBondContact OG1-NH2 3.29Å; D269-R271 PolarHBondContact O-N 3.24Å; D269-R271 VanDerWaalsContact O-N 3.12Å; R271-C273 VanDerWaalsContact C-N 3.31Å; R271-A274 PolarHBondContact O-N 2.86Å; R271-Q275 WeakPolarHBondContact O-CG 3.38Å; R271-Q275 PolarHBondContact O-N 3.33Å
272T87.6Confident88Confident4 Ų442 Ų423%0.02520%0.203CC..Hα-helixtrans-68.2-37178.849.60000109.8Q161 S268 D269 A274 Q275 L276Q161-T272 HydrophobicContact CB-CG2 4.31Å; S268-T272 PolarHBondContact OG-OG1 3.1Å; S268-T272 VanDerWaalsContact OG-OG1 3.12Å; D269-T272 PolarHBondContact N-OG1 2.86Å; D269-T272 VanDerWaalsContact N-OG1 3.17Å; D269-T272 PolarHBondContact O-N 3.04Å; D269-T272 VanDerWaalsContact O-N 3.08Å; D269-T272 PolarHBondContact O-OG1 3.34Å; T272-A274 PolarHBondContact O-N 3.02Å; T272-Q275 PolarHBondContact O-N 3.43Å; T272-L276 WeakPolarHBondContact O-CB 3.31Å; T272-L276 VanDerWaalsContact O-CG 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.44Å; T272-L276 PolarHBondContact O-N 3.2Å
273C88.7Confident88Confident12 Ų1240 Ų408%0.08121%0.206CC..Hα-helixtrans-58-45.5171.1-62.30000112.9D269 D270 R271 L276 Q277 I396 P398D269-C273 PolarHBondContact O-N 3.4Å; D269-C273 PolarHBondContact O-SG 3.49Å; D270-C273 WeakPolarHBondContact O-CB 3.3Å; D270-C273 PolarHBondContact O-N 2.9Å; R271-C273 VanDerWaalsContact C-N 3.31Å; C273-L276 PolarHBondContact O-N 3.16Å; C273-Q277 PolarHBondContact O-N 3.32Å; C273-I396 HydrophobicContact CB-CG2 3.77Å; C273-P398 VanDerWaalsContact SG-CA 3.58Å
274A87.9Confident87.8Confident46 Ų4641 Ų4138%0.3821%0.212SC..Hα-helixtrans-65.8-38.6176.900000112.9D270 R271 T272 Q277 Q278D270-A274 WeakPolarHBondContact O-CB 3.32Å; D270-A274 PolarHBondContact O-N 3.12Å; R271-A274 PolarHBondContact O-N 2.86Å; T272-A274 PolarHBondContact O-N 3.02Å; A274-Q277 PolarHBondContact O-N 3.2Å; A274-Q278 WeakPolarHBondContact O-CG 3.3Å; A274-Q278 PolarHBondContact O-N 3.42Å; A274-Q278 VanDerWaalsContact O-N 3.08Å
275Q87.4Confident87.5Confident21 Ų2145.1 Ų45.110%0.09824%0.235CC..Hα-helixtrans-66.4-41.4174.7-69.7-173.6-79.400111.7D163 R271 T272 Q278 L279D163-Q275 PolarHBondContact OD2-NE2 3.4Å; R271-Q275 WeakPolarHBondContact O-CG 3.38Å; R271-Q275 PolarHBondContact O-N 3.33Å; T272-Q275 PolarHBondContact O-N 3.43Å; Q275-Q278 PolarHBondContact O-N 3.06Å; Q275-L279 WeakPolarHBondContact O-CB 3.38Å; Q275-L279 PolarHBondContact O-N 3Å
276L88.4Confident87.4Confident2 Ų250.4 Ų50.41%0.0126%0.255CS..Hα-helixtrans-64.7-37173.4-67.8178.7000112.2L244 I265 A267 T272 C273 Q278 L279 I280 I396 Y423L244-L276 HydrophobicContact CD2-CD2 3.65Å; I265-L276 HydrophobicContact CG2-CD1 4.31Å; A267-L276 HydrophobicContact CB-CD1 3.77Å; T272-L276 WeakPolarHBondContact O-CB 3.31Å; T272-L276 VanDerWaalsContact O-CG 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.44Å; T272-L276 PolarHBondContact O-N 3.2Å; C273-L276 PolarHBondContact O-N 3.16Å; L276-Q278 VanDerWaalsContact C-N 3.35Å; L276-Q278 PolarHBondContact O-N 3.39Å; L276-L279 HydrophobicContact CD2-CD2 3.9Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 PolarHBondContact O-N 3.44Å; L276-I280 WeakPolarHBondContact O-CB 3.49Å; L276-I280 VanDerWaalsContact O-CG1 3.3Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.01Å; L276-I396 HydrophobicContact CB-CD1 4.45Å; L276-Y423 HydrophobicContact CD1-CD1 4.31Å; L276-Y423 HydrophobicContact CD1-CD2 4.07Å; L276-Y423 HydrophobicContact CD1-CG 3.95Å; L276-Y423 HydrophobicContact CD2-CD2 4.13Å; L276-Y423 HydrophobicContact CD2-CE2 3.87Å
277Q89.3Confident87.1Confident97 Ų9750.4 Ų50.445%0.45326%0.255SS..Hα-helixtrans-63.6-39.6174.6-158.5-158.167.700112C273 A274 K281 I396C273-Q277 PolarHBondContact O-N 3.32Å; A274-Q277 PolarHBondContact O-N 3.2Å; Q277-K281 HydrophobicContact CG-CD 4.41Å; Q277-K281 WeakPolarHBondContact O-CB 3.46Å; Q277-K281 VanDerWaalsContact O-CG 3.29Å; Q277-K281 WeakPolarHBondContact O-CG 3.19Å; Q277-K281 PolarHBondContact O-N 3Å; Q277-I396 HydrophobicContact CB-CD1 3.99Å; Q277-I396 HydrophobicContact CG-CD1 4.29Å
278Q87.1Confident86.9Confident55 Ų5550.5 Ų50.526%0.25726%0.255SS..Hα-helixtrans-71.3-39.9176.1-70.2176.21700112A274 Q275 L276 I280 K281 H282 L287A274-Q278 WeakPolarHBondContact O-CG 3.3Å; A274-Q278 PolarHBondContact O-N 3.42Å; A274-Q278 VanDerWaalsContact O-N 3.08Å; Q275-Q278 PolarHBondContact O-N 3.06Å; L276-Q278 VanDerWaalsContact C-N 3.35Å; L276-Q278 PolarHBondContact O-N 3.39Å; Q278-I280 PolarHBondContact O-N 3.03Å; Q278-K281 PolarHBondContact O-N 3.25Å; Q278-H282 PolarHBondContact O-N 3.06Å; Q278-L287 HydrophobicContact CB-CD1 4.11Å
279L87.9Confident86.9Confident9 Ų953.4 Ų53.45%0.04727%0.271CS..Hα-helixtrans-56.3-48.4173.6176.870.8000111.7W241 L244 Q275 L276 K281 G283 L287W241-L279 HydrophobicContact CB-CD1 4.3Å; W241-L279 HydrophobicContact CB-CD2 3.82Å; W241-L279 HydrophobicContact CD2-CD1 4.22Å; W241-L279 HydrophobicContact CD2-CD2 4.19Å; W241-L279 HydrophobicContact CE3-CD1 4.26Å; W241-L279 HydrophobicContact CG-CD1 4.27Å; W241-L279 HydrophobicContact CG-CD2 3.62Å; L244-L279 HydrophobicContact CD2-CD2 4.39Å; Q275-L279 WeakPolarHBondContact O-CB 3.38Å; Q275-L279 PolarHBondContact O-N 3Å; L276-L279 HydrophobicContact CD2-CD2 3.9Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 PolarHBondContact O-N 3.44Å; L279-K281 VanDerWaalsContact C-N 3.35Å; L279-K281 PolarHBondContact O-N 3.44Å; L279-G283 VanDerWaalsContact O-CA 3.29Å; L279-G283 WeakPolarHBondContact O-CA 3.34Å; L279-G283 PolarHBondContact O-N 3.47Å; L279-L287 HydrophobicContact CB-CD2 4.33Å
280I86.7Confident86.9Confident77 Ų7755.4 Ų55.440%0.39527%0.274SS..Hα-helixtrans-69.7-30.5-179-67.9165.2000112L248 I265 L276 Q278 I396L248-I280 HydrophobicContact CD1-CD1 4.03Å; L248-I280 HydrophobicContact CD1-CG1 4.17Å; I265-I280 HydrophobicContact CD1-CD1 3.71Å; L276-I280 WeakPolarHBondContact O-CB 3.49Å; L276-I280 VanDerWaalsContact O-CG1 3.3Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.01Å; Q278-I280 PolarHBondContact O-N 3.03Å; I280-I396 HydrophobicContact CD1-CD1 4.15Å
281K86.6Confident86.7Confident128 Ų12851.3 Ų51.356%0.55725%0.252SS*.Hα-helixtrans-80.4-36178.8-76.2172.7176.1174.80114.4Q277 Q278 L279Q277-K281 HydrophobicContact CG-CD 4.41Å; Q277-K281 WeakPolarHBondContact O-CB 3.46Å; Q277-K281 VanDerWaalsContact O-CG 3.29Å; Q277-K281 WeakPolarHBondContact O-CG 3.19Å; Q277-K281 PolarHBondContact O-N 3Å; Q278-K281 PolarHBondContact O-N 3.25Å; L279-K281 VanDerWaalsContact C-N 3.35Å; L279-K281 PolarHBondContact O-N 3.44Å
282H85.6Confident86.6Confident102 Ų10247 Ų4747%0.47224%0.236SC..Hα-helixtrans-132.1-5.8-166.2-55.8-68.2000115.3Q278 W286Q278-H282 PolarHBondContact O-N 3.06Å; H282-W286 HydrophobicContact CB-CB 4.28Å; H282-W286 HydrophobicContact CB-CD2 3.68Å; H282-W286 HydrophobicContact CB-CE3 3.38Å; H282-W286 HydrophobicContact CB-CG 4.08Å; H282-W286 HydrophobicContact CB-CZ3 3.89Å; H282-W286 AromaticContact CD2-CH2 3.84Å; H282-W286 AromaticContact CD2-CZ3 3.57Å; H282-W286 AromaticContact CG-CE3 3.84Å; H282-W286 AromaticContact CG-CZ3 3.84Å; H282-W286 WeakPolarHBondContact O-CB 3.32Å
283G86.6Confident86.3Confident32 Ų3248.9 Ų48.933%0.3325%0.252SS..  trans82.9165.4-178.400000114.6L279 L287L279-G283 VanDerWaalsContact O-CA 3.29Å; L279-G283 WeakPolarHBondContact O-CA 3.34Å; L279-G283 PolarHBondContact O-N 3.47Å; G283-L287 PolarHBondContact O-N 3.48Å
284S85.2Confident86.1Confident22 Ų2254.9 Ų54.915%0.15427%0.273CS..Hα-helixtrans-70.5-41.7-173.548.20000113.3W286 L287 L288S284-W286 PolarHBondContact O-N 2.73Å; S284-L287 PolarHBondContact O-N 3.04Å; S284-L288 WeakPolarHBondContact O-CB 3.48Å; S284-L288 WeakPolarHBondContact O-CG 3.49Å; S284-L288 PolarHBondContact O-N 3.11Å
285D85Confident85.5Confident88 Ų8854.3 Ų54.347%0.47126%0.264SS..Hα-helixtrans-64-40.7-178.7-61-69.4000112.5K237 N289K237-D285 WeakPolarHBondContact CE-OD1 3.27Å; K237-D285 IonicContact NZ-OD1 2.77Å; K237-D285 PolarHBondContact NZ-OD1 3.4Å; K237-D285 IonicContact NZ-OD2 2.66Å; K237-D285 PolarHBondContact NZ-OD2 3.33Å; D285-N289 WeakPolarHBondContact O-CB 3.29Å; D285-N289 PolarHBondContact O-N 3.18Å; D285-N289 VanDerWaalsContact O-N 3.07Å; D285-N289 PolarHBondContact O-ND2 3.45Å
286W88.4Confident84.7Confident110 Ų11054 Ų5442%0.41726%0.264SS..Hα-helixtrans-64.7-46176.5-179.389.8000111.5H282 S284 N289 R290H282-W286 HydrophobicContact CB-CB 4.28Å; H282-W286 HydrophobicContact CB-CD2 3.68Å; H282-W286 HydrophobicContact CB-CE3 3.38Å; H282-W286 HydrophobicContact CB-CG 4.08Å; H282-W286 HydrophobicContact CB-CZ3 3.89Å; H282-W286 AromaticContact CD2-CH2 3.84Å; H282-W286 AromaticContact CD2-CZ3 3.57Å; H282-W286 AromaticContact CG-CE3 3.84Å; H282-W286 AromaticContact CG-CZ3 3.84Å; H282-W286 WeakPolarHBondContact O-CB 3.32Å; S284-W286 PolarHBondContact O-N 2.73Å; W286-N289 PolarHBondContact O-N 3.24Å; W286-R290 VanDerWaalsContact CZ3-CD 3.49Å; W286-R290 VanDerWaalsContact O-CB 3.27Å; W286-R290 WeakPolarHBondContact O-CB 3.41Å; W286-R290 PolarHBondContact O-N 3.29Å
287L85.6Confident83.3Confident1 Ų154.7 Ų54.71%0.00527%0.271CS..Hα-helixtrans-61.1-46.8179.7178.559000111.7Q278 L279 G283 S284 R290 L291Q278-L287 HydrophobicContact CB-CD1 4.11Å; L279-L287 HydrophobicContact CB-CD2 4.33Å; G283-L287 PolarHBondContact O-N 3.48Å; S284-L287 PolarHBondContact O-N 3.04Å; L287-R290 PolarHBondContact O-N 3.04Å; L287-L291 HydrophobicContact CD1-CD1 3.91Å; L287-L291 HydrophobicContact CD1-CG 4.22Å; L287-L291 HydrophobicContact CG-CD1 4.02Å; L287-L291 WeakPolarHBondContact O-CB 3.14Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.47Å; L287-L291 PolarHBondContact O-N 3.49Å
288L85.3Confident81.9Confident1 Ų158.9 Ų58.91%0.00529%0.288CS..Hα-helixtrans-64.4-43.9179.3-72174000112.1D163 L235 K237 W241 S284 L291 Y292D163-L288 HydrophobicContact CB-CD2 4.29Å; L235-L288 HydrophobicContact CB-CB 4.26Å; L235-L288 HydrophobicContact CB-CD1 4.17Å; L235-L288 HydrophobicContact CD1-CB 3.77Å; K237-L288 HydrophobicContact CG-CD1 4.14Å; W241-L288 HydrophobicContact CH2-CD2 3.97Å; W241-L288 HydrophobicContact CH2-CG 4.46Å; W241-L288 HydrophobicContact CZ3-CD1 4.09Å; W241-L288 HydrophobicContact CZ3-CD2 3.91Å; W241-L288 HydrophobicContact CZ3-CG 3.98Å; S284-L288 WeakPolarHBondContact O-CB 3.48Å; S284-L288 WeakPolarHBondContact O-CG 3.49Å; S284-L288 PolarHBondContact O-N 3.11Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-Y292 WeakPolarHBondContact O-CB 3.46Å; L288-Y292 PolarHBondContact O-N 3.21Å
289N85.3Confident80.2Confident66 Ų6663.6 Ų63.635%0.35330%0.304SS..Hα-helixtrans-65.7-43176.9-77.5-61.4000112.5D285 W286 L291 Y292 A293D285-N289 WeakPolarHBondContact O-CB 3.29Å; D285-N289 PolarHBondContact O-N 3.18Å; D285-N289 VanDerWaalsContact O-N 3.07Å; D285-N289 PolarHBondContact O-ND2 3.45Å; W286-N289 PolarHBondContact O-N 3.24Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.25Å; N289-Y292 PolarHBondContact O-N 3.03Å; N289-A293 WeakPolarHBondContact O-CB 3.17Å; N289-A293 PolarHBondContact O-N 2.97Å
290R86.4Confident78.3Confident95 Ų9564.8 Ų64.836%0.35831%0.31SS..Hα-helixtrans-57.1-44.9173.6168178.3154.3115.30.4111.7W286 L287 R294W286-R290 VanDerWaalsContact CZ3-CD 3.49Å; W286-R290 VanDerWaalsContact O-CB 3.27Å; W286-R290 WeakPolarHBondContact O-CB 3.41Å; W286-R290 PolarHBondContact O-N 3.29Å; L287-R290 PolarHBondContact O-N 3.04Å; R290-R294 WeakPolarHBondContact O-CB 3.33Å; R290-R294 PolarHBondContact O-N 3.39Å; R290-R294 VanDerWaalsContact O-N 3.15Å
291L83.3Confident76.2Confident8 Ų866.2 Ų66.24%0.04232%0.324CS..Hα-helixtrans-66.5-45.9177.7-71.2169.7000111.5D163 V165 L287 L288 N289 A293 R294 T295D163-L291 HydrophobicContact CB-CD1 4.38Å; V165-L291 HydrophobicContact CB-CB 4.43Å; V165-L291 HydrophobicContact CG1-CB 4.44Å; L287-L291 HydrophobicContact CD1-CD1 3.91Å; L287-L291 HydrophobicContact CD1-CG 4.22Å; L287-L291 HydrophobicContact CG-CD1 4.02Å; L287-L291 WeakPolarHBondContact O-CB 3.14Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.47Å; L287-L291 PolarHBondContact O-N 3.49Å; L288-L291 PolarHBondContact O-N 3.39Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.25Å; L291-A293 PolarHBondContact O-N 2.91Å; L291-R294 PolarHBondContact O-N 2.85Å; L291-T295 PolarHBondContact O-N 3.09Å; L291-T295 VanDerWaalsContact O-N 3.07Å; L291-T295 PolarHBondContact O-OG1 2.86Å; L291-T295 VanDerWaalsContact O-OG1 3.07Å
292Y83.4Confident74Confident10 Ų1063 Ų634%0.03932%0.322CS..Hα-helixtrans-57.2-50.3177.1179.9-93.8000112.2V204 L233 L235 L288 N289 R294 T295 V296 G297 A303V204-Y292 HydrophobicContact CG1-CD2 3.87Å; V204-Y292 HydrophobicContact CG1-CE2 4Å; L233-Y292 HydrophobicContact CD1-CD1 3.9Å; L233-Y292 HydrophobicContact CD1-CD2 3.72Å; L233-Y292 HydrophobicContact CD1-CE1 3.72Å; L233-Y292 HydrophobicContact CD1-CE2 3.53Å; L233-Y292 HydrophobicContact CD1-CG 3.91Å; L235-Y292 HydrophobicContact CD2-CD2 4.16Å; L235-Y292 HydrophobicContact CD2-CG 4.49Å; L288-Y292 WeakPolarHBondContact O-CB 3.46Å; L288-Y292 PolarHBondContact O-N 3.21Å; N289-Y292 PolarHBondContact O-N 3.03Å; Y292-R294 VanDerWaalsContact C-N 3.34Å; Y292-R294 PolarHBondContact O-N 3.48Å; Y292-T295 PolarHBondContact O-N 3.44Å; Y292-V296 HydrophobicContact CD2-CB 3.81Å; Y292-V296 HydrophobicContact CD2-CG1 4.24Å; Y292-V296 HydrophobicContact CD2-CG2 4.16Å; Y292-V296 HydrophobicContact CE2-CB 3.61Å; Y292-V296 HydrophobicContact CE2-CG1 3.54Å; Y292-V296 HydrophobicContact CE2-CG2 4.26Å; Y292-V296 HydrophobicContact CG-CB 4.48Å; Y292-V296 WeakPolarHBondContact O-CA 3.35Å; Y292-V296 PolarHBondContact O-N 2.89Å; Y292-G297 PolarHBondContact O-N 3.45Å; Y292-A303 HydrophobicContact CE1-CB 4.05Å; Y292-A303 VanDerWaalsContact OH-CB 3.27Å; Y292-A303 WeakPolarHBondContact OH-CB 3.5Å
293A82.9Confident71.9Confident44 Ų4459.1 Ų59.136%0.36431%0.307SS..Iπ-helixtrans-58.3-45178.100000111.9N289 L291 T295N289-A293 WeakPolarHBondContact O-CB 3.17Å; N289-A293 PolarHBondContact O-N 2.97Å; L291-A293 PolarHBondContact O-N 2.91Å; A293-T295 PolarHBondContact O-N 2.94Å
294R82.8Confident69.5Low139 Ų13960.2 Ų60.253%0.52531%0.313SS..Iπ-helixtrans-66.3-36.3-178.3-170.8171.269.21581.6113.7R290 L291 Y292R290-R294 WeakPolarHBondContact O-CB 3.33Å; R290-R294 PolarHBondContact O-N 3.39Å; R290-R294 VanDerWaalsContact O-N 3.15Å; L291-R294 PolarHBondContact O-N 2.85Å; Y292-R294 VanDerWaalsContact C-N 3.34Å; Y292-R294 PolarHBondContact O-N 3.48Å
295T76.1Confident67.2Low33 Ų3363.8 Ų63.820%0.20234%0.344CS..Iπ-helixtrans-112.1-33.3-170.7640000115.8V165 L291 Y292 A293V165-T295 VanDerWaalsContact CG1-OG1 3.3Å; V165-T295 WeakPolarHBondContact CG1-OG1 3.13Å; L291-T295 PolarHBondContact O-N 3.09Å; L291-T295 VanDerWaalsContact O-N 3.07Å; L291-T295 PolarHBondContact O-OG1 2.86Å; L291-T295 VanDerWaalsContact O-OG1 3.07Å; Y292-T295 PolarHBondContact O-N 3.44Å; A293-T295 PolarHBondContact O-N 2.94Å
296V69.9Low65.1Low16 Ų1663.8 Ų63.810%0.09736%0.356CS..Iπ-helixtrans-107.8-38.5-177.6-173.80000111.1V165 Y292 K298 R299 D300V165-V296 HydrophobicContact CG1-CG2 4Å; Y292-V296 HydrophobicContact CD2-CB 3.81Å; Y292-V296 HydrophobicContact CD2-CG1 4.24Å; Y292-V296 HydrophobicContact CD2-CG2 4.16Å; Y292-V296 HydrophobicContact CE2-CB 3.61Å; Y292-V296 HydrophobicContact CE2-CG1 3.54Å; Y292-V296 HydrophobicContact CE2-CG2 4.26Å; Y292-V296 HydrophobicContact CG-CB 4.48Å; Y292-V296 WeakPolarHBondContact O-CA 3.35Å; Y292-V296 PolarHBondContact O-N 2.89Å; V296-K298 PolarHBondContact O-N 3.46Å; V296-R299 WeakPolarHBondContact O-CA 3.4Å; V296-R299 PolarHBondContact O-N 2.91Å; V296-D300 PolarHBondContact O-N 3.43Å; V296-D300 VanDerWaalsContact O-N 3.09Å
297G60.4Low62.8Low15 Ų1561.4 Ų61.416%0.15535%0.354CS..Iπ-helixtrans-57.4-34.3175.500000113.5Y292 R299Y292-G297 PolarHBondContact O-N 3.45Å; G297-R299 PolarHBondContact O-N 3.27Å
298K58.5Low60.3Low186 Ų18670.1 Ų70.181%0.80939%0.392SS*.THydrogen-bonded Turntrans-67.7-7.6171.8-70-163.3173.6-165.80114.8V296V296-K298 PolarHBondContact O-N 3.46Å
299R52.6Low57.6Low154 Ų15475.8 Ų75.858%0.58142%0.422SS*.THydrogen-bonded Turntrans-113.6-29.4178.5-68.7-177.6178148.23.2114.1N169 V296 G297 P301N169-R299 PolarHBondContact OD1-NH1 3.01Å; V296-R299 WeakPolarHBondContact O-CA 3.4Å; V296-R299 PolarHBondContact O-N 2.91Å; G297-R299 PolarHBondContact O-N 3.27Å; R299-P301 WeakPolarHBondContact O-CD 3.39Å
300D48.3Very low54.9Low33 Ų3378.3 Ų78.318%0.17644%0.442CS..  trans-107.794176.2-76.9-32.3000110.5R231 V296 A302 A303R231-D300 IonicContact CZ-OD1 2.65Å; R231-D300 IonicContact CZ-OD2 2.72Å; R231-D300 IonicContact NH1-OD1 3.5Å; R231-D300 PolarHBondContact NH1-OD1 2.84Å; R231-D300 IonicContact NH1-OD2 3.51Å; R231-D300 PolarHBondContact NH1-OD2 2.92Å; R231-D300 IonicContact NH2-OD1 3.32Å; V296-D300 PolarHBondContact O-N 3.43Å; V296-D300 VanDerWaalsContact O-N 3.09Å; D300-A302 PolarHBondContact O-N 2.87Å; D300-A302 VanDerWaalsContact O-N 3.14Å; D300-A303 HydrophobicContact CB-CB 4.16Å; D300-A303 PolarHBondContact O-N 3.38Å
301P42.3Very low52.1Low108 Ų10880.4 Ų80.470%0.70146%0.46SS*.Hα-helixtrans-61.1-25.7-179.724-33.8000113.3R299 A303R299-P301 WeakPolarHBondContact O-CD 3.39Å; P301-A303 PolarHBondContact O-N 2.88Å
302A40.7Very low49.5Very low60 Ų6084.7 Ų84.750%0.49649%0.491SS..Hα-helixtrans-66.2-19175.700000114.4D300D300-A302 PolarHBondContact O-N 2.87Å; D300-A302 VanDerWaalsContact O-N 3.14Å
303A40.8Very low47Very low20 Ų2091.9 Ų91.917%0.16553%0.53CS..Hα-helixtrans-90.1-26.9-178.600000113.4Y292 D300 P301 A305 A306Y292-A303 HydrophobicContact CE1-CB 4.05Å; Y292-A303 VanDerWaalsContact OH-CB 3.27Å; Y292-A303 WeakPolarHBondContact OH-CB 3.5Å; D300-A303 HydrophobicContact CB-CB 4.16Å; D300-A303 PolarHBondContact O-N 3.38Å; P301-A303 PolarHBondContact O-N 2.88Å; A303-A305 PolarHBondContact O-N 3.3Å; A303-A306 PolarHBondContact O-N 3.32Å
304A35.4Very low44.5Very low55 Ų5598.9 Ų98.946%0.45555%0.552SS.*Hα-helixtrans-62.6-30.1179.500000112.9A306 T307A304-A306 PolarHBondContact O-N 3.27Å; A304-A306 VanDerWaalsContact O-N 3.17Å; A304-T307 PolarHBondContact O-OG1 3.27Å
305A37.1Very low41.8Very low98 Ų98102.4 Ų102.481%0.8157%0.571SS**THydrogen-bonded Turntrans-68.9-4.9177.300000114.8A303A303-A305 PolarHBondContact O-N 3.3Å
306A41Very low39.3Very low87 Ų87104.5 Ų104.572%0.71960%0.599SS**THydrogen-bonded Turntrans-109.8-1.2-176.700000114.4A303 A304A303-A306 PolarHBondContact O-N 3.32Å; A304-A306 PolarHBondContact O-N 3.27Å; A304-A306 VanDerWaalsContact O-N 3.17Å
307T41.1Very low37.1Very low61 Ų61114.5 Ų114.537%0.37464%0.641SS.*SBendtrans-122.811.3-166.741.70000115.9A304A304-T307 PolarHBondContact O-OG1 3.27Å
308F31.8Very low35.4Very low183 Ų183117.7 Ų117.780%0.80367%0.674SS**  trans-137.1100.7172.5-81.3-87.2000113.2
309D28.8Very low33.5Very low121 Ų121120.5 Ų120.565%0.64768%0.68SS**  trans-140.693.8152.5-179.3-1.6000108.5D311D309-D311 VanDerWaalsContact C-N 3.3Å; D309-D311 PolarHBondContact O-N 2.87Å; D309-D311 PolarHBondContact OD1-N 3.17Å
310P29.2Very low32.2Very low118 Ų118120 Ų12077%0.76669%0.693SS**THydrogen-bonded Turntrans-71.8-13.9-174-21.634.8000115.8
311D27.7Very low31Very low139 Ų139127.4 Ų127.474%0.74372%0.724SS**THydrogen-bonded Turntrans-104.2-2.6-156.7-117.9-8.9000115D309 L313D309-D311 VanDerWaalsContact C-N 3.3Å; D309-D311 PolarHBondContact O-N 2.87Å; D309-D311 PolarHBondContact OD1-N 3.17Å; D311-L313 PolarHBondContact O-N 3.25Å; D311-L313 VanDerWaalsContact O-N 3.1Å
312S28.8Very low30Very low98 Ų98132.6 Ų132.669%0.68574%0.735SS**THydrogen-bonded Turntrans-67-11.3-17461.90000115.7
313L30.1Very low29.1Very low162 Ų162133.7 Ų133.785%0.84875%0.753SS**THydrogen-bonded Turntrans-103.316.2-169.6-91.4167.7000116.7D311D311-L313 PolarHBondContact O-N 3.25Å; D311-L313 VanDerWaalsContact O-N 3.1Å
314K31.4Very low28.2Very low190 Ų190136.5 Ų136.583%0.82678%0.784SS**  trans-13661.3177.9-74.7-173179.6170.20116.5
315K26.1Very low27.6Very low214 Ų214144.5 Ų144.593%0.9381%0.808SS**  trans-132.468.2162.9-74.2-172.5177.8159.20114.7
316G24Very low26.9Very low77 Ų77143.1 Ų143.179%0.79480%0.804SS**  trans-70.7154.4154.900000111.5
317K23.9Very low26Very low225 Ų225149 Ų14998%0.97881%0.813SS**  trans-71.4135.6-171.6-66.3171.6179.9172.30113
318G22.9Very low25Very low82 Ų82154.8 Ų154.885%0.84584%0.836SS**  trans-155.7127167.100000111.1
319W20Very low24.7Very low245 Ų245151.5 Ų151.593%0.92883%0.833SS**  trans-123123.6-171.6-178.6-29.3000109.4
320V24.6Very low24.4Very low143 Ų143150 Ų15087%0.86784%0.837SS**  trans-164.3169.3155129.70000111.5
321K23.4Very low24Very low190 Ų190151.9 Ų151.983%0.82684%0.836SS**  trans-89.7162.9-148.9-62.9172178.3172.90117.5
322K21.1Very low23.7Very low216 Ų216153.6 Ų153.694%0.93984%0.837SS**  trans-46.8153.9165.9-70.9174.5167.61780116.3
323G22Very low23.4Very low83 Ų83160.2 Ų160.286%0.85685%0.847SS**  trans119.1140.1154.300000113.5
324G22.7Very low22.9Very low80 Ų80156.9 Ų156.983%0.82584%0.837SS**  cis-164.1-173.30.700000112
325K21.6Very low22.5Very low222 Ų222153.3 Ų153.397%0.96583%0.831SS**  trans-75.1149-175.1-59.7175.4177.9179.40113.4
326G21.8Very low22.3Very low69 Ų69152.4 Ų152.471%0.71183%0.827SS**  trans148.6114.5137.700000120.1
327K22Very low22.3Very low212 Ų212155.8 Ų155.892%0.92283%0.832SS**  trans60.8126.8139.6-68.7-171.3172.7-173.10122.3
328E20.6Very low22.2Very low181 Ų181148.6 Ų148.685%0.84682%0.823SS**  trans-55.3167.8146-76.2-171.1146.300113.2
329P26.6Very low22.3Very low115 Ų115155.3 Ų155.375%0.74783%0.828SS**  cis-149.3167.832.344-23.6000120.8
330A21.7Very low22.3Very low89 Ų89148.5 Ų148.574%0.73682%0.819SS**  trans47.2129.713700000124.7
331Q21.7Very low22.3Very low157 Ų157152.5 Ų152.573%0.73482%0.818SS**  trans82.1125.2143.6-74.9-165.831.400123.5
332K21.4Very low22.3Very low176 Ų176150.6 Ų150.677%0.76582%0.822SS**  trans6899.9139.4-68.9173178.3153.80120.8
333R21.6Very low22.4Very low237 Ų237145.5 Ų145.589%0.89481%0.814SS**  -173115.8118.9-98.4166.4-179.6-172.8-0.2107.5
334S20.3Very low22.5Very low92 Ų92150 Ų15064%0.64382%0.818SS**  85.4153.571.179.60000114.5
335T22Very low22.8Very low115 Ų115152.5 Ų152.571%0.70682%0.817SS**  trans68.794.2162.438.40000120
336K22.7Very low23Very low195 Ų195150.1 Ų150.185%0.84881%0.814SS**  63.692.5127.5-62.7-178.8179-177.20118.6
337T23.1Very low23.2Very low147 Ų147151.7 Ų151.790%0.90281%0.81SS**  trans-60.8150.8133.842.40000110.1
338G22.1Very low23.9Very low75 Ų75149.6 Ų149.677%0.77380%0.803SS**  trans-111138.2174.600000112.1
339K24.6Very low24.2Very low222 Ų222149.8 Ų149.897%0.96581%0.806SS**  trans-130.8133.8151.7-90.9-174.5174.2179.50107.5
340S21.9Very low24.1Very low103 Ų103151.8 Ų151.872%0.7281%0.808SS**  trans-123.8153.5177.2870000109.6
341R23.7Very low24.3Very low226 Ų226157.8 Ų157.885%0.85381%0.811SS**  trans61.385.8163.3-57.8175.570.5104.20.8114.6
342T22.8Very low24.4Very low150 Ų150158.4 Ų158.492%0.9281%0.812SS**  trans-44.8136.4134.437.60000110.3
343S22.7Very low24.5Very low109 Ų109154.8 Ų154.876%0.76280%0.8SS**  trans-110.6122.9167.453.40000108.9
344L25.9Very low24.6Very low178 Ų178150.8 Ų150.893%0.93279%0.792SS**  trans-50.7136.2-177.2-62.9147.2000113.5
345T27.4Very low24.8Very low133 Ų133154.5 Ų154.582%0.81680%0.799SS**  trans-138.990.8156.652.20000111.1T347T345-T347 PolarHBondContact O-N 3.41Å
346L25.8Very low24.8Very low172 Ų172157.4 Ų157.490%0.90181%0.805SS**  trans29.868152.4-154.981.4000118.9
347T27Very low24.8Very low101 Ų101156.5 Ų156.562%0.6280%0.803SS**  trans-76.7175.6135.737.90000110T345T345-T347 PolarHBondContact O-N 3.41Å
348Q37.3Very low24.9Very low169 Ų169157.7 Ų157.779%0.7980%0.799SS**  trans64.182.9157.3-61.3129.4-3.400117.9
349M26.9Very low25.3Very low184 Ų184159.8 Ų159.891%0.90680%0.799SS**SBend-136.6122.4120.6-79.5-157.3169.500109.7
350M24.5Very low25.2Very low158 Ų158152.7 Ų152.778%0.77879%0.789SS**SBendtrans67.6130.7177.8-50.3-179.276.300114.4
351R25.3Very low25.2Very low214 Ų214151.6 Ų151.681%0.80879%0.794SS**  cis-144.9145.8-8.2-94.6168172.5166.5-4.6105.7
352K24.3Very low25.2Very low171 Ų171148.3 Ų148.374%0.74379%0.793SS**  5011877.3-85.7-149.7141.3-69.20112.6
353D22.8Very low25.3Very low99 Ų99148.3 Ų148.353%0.52979%0.787SS.*  cis-143.7-154.7-4.9-71.3-63.4000106.8
354E24.4Very low25.5Very low153 Ų153151.1 Ų151.172%0.71579%0.794SS**  cis-148.2152.25.4-107.4102.8-154.300106.1
355E23.5Very low25.4Very low170 Ų170151.1 Ų151.179%0.79479%0.789SS**  49.7131.590.5-63.7173.2-167.700115.7
356E23Very low25.3Very low176 Ų176152.7 Ų152.782%0.82279%0.793SS**  cis-153.7175.2-10.1-97.1-178.2150.300106.5
357E23Very low25.3Very low176 Ų176152.5 Ų152.582%0.82279%0.787SS**  cis-152.8-173.912.5-153.5-169.6-178.600109.1
358E24Very low25.2Very low172 Ų172155.9 Ų155.980%0.80480%0.8SS**  trans-141.5142.2168.2-144.7-170.1-112.800108.6
359P30.9Very low24.6Very low119 Ų119156.7 Ų156.777%0.77381%0.806SS**  -149.6177.991.835.6-15.7000113.4
360G21.9Very low24.4Very low74 Ų74157 Ų15776%0.76381%0.805SS**  cis137.3130.4100000110.8
361G23Very low24.4Very low79 Ų79158.2 Ų158.281%0.81481%0.809SS**  trans173.6125.9-179.600000114.6
362D23.8Very low24.4Very low157 Ų157157.4 Ų157.484%0.8482%0.815SS**  trans-57.1146.9-163.7-53.2-26.1000118.6
363D24.2Very low24.5Very low150 Ų150157.1 Ų157.180%0.80282%0.816SS**  trans16.4133.7131.7-54.4-11.9000120.7
364D26.1Very low24.9Very low168 Ų168160.8 Ų160.890%0.89883%0.83SS**  -154.6135.9113.7-115.9-25.5000110
365E25.8Very low24.9Very low178 Ų178161 Ų16183%0.83283%0.831SS**  trans-89.6142.1175.2-66.6-174135.500110.9
366D25Very low25.2Very low167 Ų167160.5 Ų160.589%0.89383%0.833SS**  trans-145133.9155.1-145.4-14.1000112.1
367H25.5Very low25.2Very low168 Ų168158.2 Ų158.278%0.77883%0.826SS**  trans-85.9121.1-166.5-86.5-54.8000113
368L24.2Very low25.9Very low171 Ų171157 Ų15790%0.89583%0.825SS**  trans-128.9152.9156.2-75.8177.1000111.8
369M24.3Very low26.2Very low186 Ų186155.8 Ų155.892%0.91682%0.824SS**PPolyproline II helixtrans-75.1130.4-160.9-56.9175-168.900112.4E371M369-E371 PolarHBondContact O-N 2.85Å
370E23.9Very low26.4Very low190 Ų190156 Ų15689%0.88882%0.818SS**PPolyproline II helixtrans-66.4117.4171.6-63.2179.7135.600110.5
371E24.1Very low26.9Very low185 Ų185156.2 Ų156.286%0.86481%0.807SS**PPolyproline II helixtrans-75.3121.5154.4-64.3-160.7135.700107.4M369 E373M369-E371 PolarHBondContact O-N 2.85Å; E371-E373 VanDerWaalsContact C-N 3.35Å; E371-E373 PolarHBondContact O-N 3.3Å
372E24.8Very low27.4Very low197 Ų197157.1 Ų157.192%0.92180%0.801SS**  trans-64.691.1177.1-72.2-173.815100110.8
373E25.9Very low28.1Very low165 Ų165154 Ų15477%0.77178%0.784SS**  trans-56.8144.7159.8-67.4-161.3131.400109.5E371 Q375E371-E373 VanDerWaalsContact C-N 3.35Å; E371-E373 PolarHBondContact O-N 3.3Å; E373-Q375 PolarHBondContact O-N 3.43Å
374E32.6Very low28.8Very low175 Ų175150.4 Ų150.482%0.81877%0.771SS**  trans-72.866.5175-71.1-171.715000110.7L376E374-L376 PolarHBondContact O-N 3.25Å; E374-L376 VanDerWaalsContact O-N 3.17Å
375Q24.5Very low29.5Very low158 Ų158151.7 Ų151.774%0.73877%0.765SS**  trans-54121.5167.6-71.8-169.55.700108.9E373 N377E373-Q375 PolarHBondContact O-N 3.43Å; Q375-N377 PolarHBondContact O-N 3.49Å
376L28.3Very low30.3Very low159 Ų159151.4 Ų151.483%0.83276%0.757SS**  trans-62.199.8175.1-77.6166.2000108.8E374 L378E374-L376 PolarHBondContact O-N 3.25Å; E374-L376 VanDerWaalsContact O-N 3.17Å; L376-L378 VanDerWaalsContact C-N 3.27Å; L376-L378 PolarHBondContact O-N 3.2Å
377N24.2Very low31Very low129 Ų129146.8 Ų146.869%0.6975%0.749SS**  trans-64.484.5-179.4-103.8-80.7000110.7Q375 N379Q375-N377 PolarHBondContact O-N 3.49Å; N377-N379 PolarHBondContact O-N 3.41Å; N377-N379 VanDerWaalsContact O-N 3.14Å
378L36.9Very low31.7Very low151 Ų151144.5 Ų144.579%0.79175%0.746SS**  trans-72.35175.2-78.8167.9000113.1L376 L380L376-L378 VanDerWaalsContact C-N 3.27Å; L376-L378 PolarHBondContact O-N 3.2Å; L378-L380 PolarHBondContact O-N 3.18Å
379N29.4Very low32.8Very low146 Ų146141.1 Ų141.178%0.78173%0.729SS**  trans-71.253.9164.5-69.2-40.6000111.7N377 S381N377-N379 PolarHBondContact O-N 3.41Å; N377-N379 VanDerWaalsContact O-N 3.14Å; N379-S381 PolarHBondContact O-N 3.49Å
380L35.4Very low34Very low124 Ų124139.2 Ų139.265%0.64972%0.715SS**  trans-62.4126.2160.3-82.2161.2000108.2L378 S382L378-L380 PolarHBondContact O-N 3.18Å; L380-S382 PolarHBondContact O-N 3.49Å
381S32.1Very low35.5Very low78 Ų78135.6 Ų135.655%0.54570%0.698SS.*  trans-55.5139.9171.7-178.80000110.1N379 D383 S384N379-S381 PolarHBondContact O-N 3.49Å; S381-D383 PolarHBondContact O-N 3.26Å; S381-S384 PolarHBondContact O-N 2.91Å; S381-S384 PolarHBondContact O-OG 3.15Å
382S34.1Very low37.2Very low97 Ų97130.8 Ų130.868%0.67868%0.683SS**G310 helixtrans-57.2-19.7-177.645.50000114.1L380 S384 Y385L380-S382 PolarHBondContact O-N 3.49Å; S382-S384 PolarHBondContact O-N 3.15Å; S382-S384 VanDerWaalsContact O-N 3.14Å; S382-Y385 PolarHBondContact O-N 3.39Å
383D37.8Very low39.6Very low92 Ų92123 Ų12349%0.49265%0.648SS.*G310 helixtrans-52.5-22.5166-84.314.8000114S381 Y386 K390S381-D383 PolarHBondContact O-N 3.26Å; D383-Y386 VanDerWaalsContact O-O 3.1Å; D383-K390 IonicContact OD2-NZ 2.62Å; D383-K390 PolarHBondContact OD2-NZ 3.32Å
384S40.7Very low42.4Very low74 Ų74118.3 Ų118.352%0.51763%0.63SS.*G310 helixtrans-85.7-13.2-179.386.80000114.4S381 S382S381-S384 PolarHBondContact O-N 2.91Å; S381-S384 PolarHBondContact O-OG 3.15Å; S382-S384 PolarHBondContact O-N 3.15Å; S382-S384 VanDerWaalsContact O-N 3.14Å
385Y39.7Very low45Very low195 Ų195111.6 Ų111.677%0.76560%0.601SS**THydrogen-bonded Turntrans-85.7-28.5-179.4-161.3-94.3000112.1S382S382-Y385 PolarHBondContact O-N 3.39Å
386Y41.9Very low48Very low173 Ų173106.1 Ų106.168%0.67858%0.577SS**SBendtrans-107.8105.6171.7-65.6-83.7000108.6D383 V388D383-Y386 VanDerWaalsContact O-O 3.1Å; Y386-V388 PolarHBondContact O-N 2.84Å
387G40.8Very low50.9Low70 Ų7099.8 Ų99.872%0.72254%0.543SS*.  trans-66.450.4-164.500000118.1L389G387-L389 PolarHBondContact O-N 3.07Å
388V40.8Very low54Low119 Ų11994.3 Ų94.372%0.72151%0.514SS*.  trans-79.475.5168.2-172.50000108.5Y386 K390Y386-V388 PolarHBondContact O-N 2.84Å; V388-K390 PolarHBondContact O-N 3.25Å
389L47.1Very low56.2Low100 Ų10088.4 Ų88.452%0.52448%0.483SS..  trans-61.1101.2174.7-65.8166000109.2G387 E391 L393G387-L389 PolarHBondContact O-N 3.07Å; L389-E391 PolarHBondContact O-N 3.12Å; L389-L393 HydrophobicContact CB-CD2 4.28Å; L389-L393 HydrophobicContact CD1-CD2 3.97Å; L389-L393 HydrophobicContact CD2-CD1 4.11Å; L389-L393 HydrophobicContact CD2-CD2 4.26Å; L389-L393 HydrophobicContact CG-CD2 4.4Å
390K48.8Very low58.5Low146 Ų14685.7 Ų85.764%0.63546%0.462SS*.PPolyproline II helixtrans-59.3122.6-179.3-69.1171.2-173.6164.60109.7D383 V388 P392D383-K390 IonicContact OD2-NZ 2.62Å; D383-K390 PolarHBondContact OD2-NZ 3.32Å; V388-K390 PolarHBondContact O-N 3.25Å; K390-P392 CarbonylContact O-C 3.39Å
391E54.7Low59.9Low114 Ų11482.6 Ų82.653%0.53346%0.46SS..SBendtrans-79.8141.5178.3-58.2-172.5148.400110P260 L389P260-E391 HydrophobicContact CB-CB 4.17Å; P260-E391 HydrophobicContact CG-CB 4.5Å; P260-E391 VanDerWaalsContact CG-OE2 3.28Å; P260-E391 WeakPolarHBondContact CG-OE2 3.45Å; L389-E391 PolarHBondContact O-N 3.12Å
392P61.3Low61.3Low84 Ų8481 Ų8155%0.54545%0.449SS..SBendcis-80.3140.4-1.233.3-34.7000113K390K390-P392 CarbonylContact O-C 3.39Å
393L75.4Confident62.7Low35 Ų3582.6 Ų82.618%0.18346%0.46CS..PPolyproline II helixtrans-99.7124.3178.2-175.473.1000111.3R262 V263 L389 V395R262-L393 HydrophobicContact CG-CB 4.42Å; V263-L393 PolarHBondContact N-O 2.78Å; L389-L393 HydrophobicContact CB-CD2 4.28Å; L389-L393 HydrophobicContact CD1-CD2 3.97Å; L389-L393 HydrophobicContact CD2-CD1 4.11Å; L389-L393 HydrophobicContact CD2-CD2 4.26Å; L389-L393 HydrophobicContact CG-CD2 4.4Å; L393-V395 HydrophobicContact CD2-CG2 3.76Å; L393-V395 HydrophobicContact CG-CG2 3.92Å
394T83.2Confident64.7Low65 Ų6580.8 Ų80.840%0.39945%0.45SS..EExtended strand (participates in β ladder)trans-106.9116.1168.2-560000109.6V263 I265V263-T394 HydrophobicContact CB-CG2 4.35Å; V263-T394 HydrophobicContact CG1-CG2 4.47Å; V263-T394 WeakPolarHBondContact O-CA 3.38Å; I265-T394 HydrophobicContact CD1-CG2 3.66Å; I265-T394 HydrophobicContact CG1-CG2 4.06Å
395V87.2Confident66.3Low34 Ų3482.3 Ų82.321%0.20646%0.458CS..EExtended strand (participates in β ladder)trans-102.9138.8174.8-177.30000108.9V263 L264 I265 L393 V411 V415V263-V395 PolarHBondContact O-N 3.05Å; L264-V395 WeakPolarHBondContact CA-O 3.43Å; L264-V395 HydrophobicContact CD1-CB 4.01Å; L264-V395 HydrophobicContact CD1-CG1 3.94Å; I265-V395 PolarHBondContact N-O 2.88Å; L393-V395 HydrophobicContact CD2-CG2 3.76Å; L393-V395 HydrophobicContact CG-CG2 3.92Å; V395-V411 HydrophobicContact CG1-CG1 4.48Å; V395-V415 HydrophobicContact CG2-CG1 4.09Å; V395-V415 HydrophobicContact CG2-CG2 3.97Å
396I89.3Confident68.2Low44 Ų4478.8 Ų78.823%0.22645%0.448CS..EExtended strand (participates in β ladder)trans-114.4129.7172.1-50.1178.5000107.3I265 C273 L276 Q277 I280I265-I396 HydrophobicContact CB-CG1 4.35Å; I265-I396 HydrophobicContact CD1-CG1 4.43Å; I265-I396 WeakPolarHBondContact O-CA 3.26Å; C273-I396 HydrophobicContact CB-CG2 3.77Å; L276-I396 HydrophobicContact CB-CD1 4.45Å; Q277-I396 HydrophobicContact CB-CD1 3.99Å; Q277-I396 HydrophobicContact CG-CD1 4.29Å; I280-I396 HydrophobicContact CD1-CD1 4.15Å
397H88.6Confident70.2Confident25 Ų2571.9 Ų71.912%0.11643%0.425CS..EExtended strand (participates in β ladder)trans-136.2135.2-179.1-170.8-79.8000112.3L264 I265 C266 A267 C402 S407L264-H397 HydrophobicContact CD1-CB 4.08Å; I265-H397 PolarHBondContact O-N 3.39Å; C266-H397 WeakPolarHBondContact CA-O 3.44Å; A267-H397 PolarHBondContact N-O 3.2Å; H397-C402 PolarHBondContact CE1-SG 3.11Å; H397-S407 WeakPolarHBondContact NE2-CB 3.39Å; H397-S407 PolarHBondContact NE2-OG 2.77Å
398P89.9Confident72.2Confident15 Ų1569.2 Ų69.210%0.09740%0.395CS..EExtended strand (participates in β ladder)trans-80.6129.7-179.633-35.7000112.4A267 D270 C273 R400A267-P398 WeakPolarHBondContact O-CA 3.38Å; D270-P398 WeakPolarHBondContact OD1-CG 3.48Å; C273-P398 VanDerWaalsContact SG-CA 3.58Å; P398-R400 VanDerWaalsContact C-N 3.27Å; P398-R400 PolarHBondContact O-N 2.94Å
399L83.2Confident74.4Confident26 Ų2665.6 Ų65.614%0.13637%0.373CS..SBendtrans-69.6-24.3177.3-66.5175.1000112.9C266 A267 L408 D424 E426 F429C266-L399 HydrophobicContact CB-CD1 4.39Å; C266-L399 HydrophobicContact CB-CD2 3.86Å; C266-L399 HydrophobicContact CB-CG 4.07Å; A267-L399 WeakPolarHBondContact O-CG 3.38Å; A267-L399 PolarHBondContact O-N 2.82Å; L399-L408 HydrophobicContact CD2-CD2 3.71Å; L399-D424 WeakPolarHBondContact CD1-O 3.47Å; L399-E426 HydrophobicContact CD1-CB 4.48Å; L399-F429 HydrophobicContact CD2-CB 4.05Å; L399-F429 HydrophobicContact CD2-CD1 3.7Å; L399-F429 HydrophobicContact CD2-CE1 4.26Å; L399-F429 HydrophobicContact CD2-CG 3.88Å
400R75.8Confident76.3Confident89 Ų8966.8 Ų66.834%0.33637%0.371SS..SBendtrans-138.7151.5179.1-53.8-179.7-177.5156.45109.9S268 P398 E426S268-R400 WeakPolarHBondContact O-CB 3.25Å; S268-R400 PolarHBondContact O-N 2.76Å; P398-R400 VanDerWaalsContact C-N 3.27Å; P398-R400 PolarHBondContact O-N 2.94Å; R400-E426 IonicContact CZ-OE2 3.37Å; R400-E426 IonicContact NE-OE2 2.69Å; R400-E426 PolarHBondContact NE-OE2 2.99Å; R400-E426 IonicContact NH2-OE2 3.83Å; R400-E426 PolarHBondContact NH2-OE2 3.09Å
401G64.8Low78.1Confident59 Ų5960.9 Ų60.961%0.60835%0.347SS*.  trans110.5-33.5-176.500000113.1S403G401-S403 PolarHBondContact O-N 3.14Å
402C63.1Low79.6Confident45 Ų4555.7 Ų55.730%0.30432%0.322SS..  trans-54.9126.9173.9-65.70000112.3H397 D404H397-C402 PolarHBondContact CE1-SG 3.11Å; C402-D404 PolarHBondContact O-N 3Å
403S63.3Low80.8Confident131 Ų13156.8 Ų56.892%0.91632%0.32SS*.SBendtrans-67.1-20.8177.6-41.50000113.4G401G401-S403 PolarHBondContact O-N 3.14Å
404D78.4Confident81.3Confident53 Ų5361.2 Ų61.228%0.28334%0.34SS..SBendtrans-109.9111.2174.9-175.9-16.6000110.3C402 H406 S407 R410C402-D404 PolarHBondContact O-N 3Å; D404-H406 PolarHBondContact O-N 3.49Å; D404-H406 WeakPolarHBondContact OD1-CA 3.3Å; D404-H406 WeakPolarHBondContact OD1-CB 3.22Å; D404-H406 PolarHBondContact OD1-N 3.26Å; D404-S407 VanDerWaalsContact O-CB 3.26Å; D404-S407 WeakPolarHBondContact O-CB 3.39Å; D404-S407 PolarHBondContact O-N 2.96Å; D404-R410 IonicContact OD1-NH2 2.72Å; D404-R410 IonicContact OD2-CZ 2.8Å; D404-R410 IonicContact OD2-NH1 3.43Å; D404-R410 PolarHBondContact OD2-NH1 3.35Å; D404-R410 IonicContact OD2-NH2 3.53Å; D404-R410 PolarHBondContact OD2-NH2 3.33Å
405P75Confident81.4Confident106 Ų10658.9 Ų58.969%0.68833%0.326SS*.THydrogen-bonded Turntrans-59.3-14.9176.8-25.635.5000115.3
406H80.8Confident81.4Confident121 Ų12160.7 Ų60.756%0.5633%0.332SS*.THydrogen-bonded Turntrans-99.5-0177.1-61.5-47.8000113.6D404 L408 T409 R410D404-H406 PolarHBondContact O-N 3.49Å; D404-H406 WeakPolarHBondContact OD1-CA 3.3Å; D404-H406 WeakPolarHBondContact OD1-CB 3.22Å; D404-H406 PolarHBondContact OD1-N 3.26Å; H406-L408 PolarHBondContact O-N 3.25Å; H406-T409 WeakPolarHBondContact O-CB 3.49Å; H406-T409 PolarHBondContact O-N 2.85Å; H406-T409 VanDerWaalsContact O-N 3.14Å; H406-R410 PolarHBondContact O-N 3.29Å; H406-R410 VanDerWaalsContact O-N 3.11Å
407S83.4Confident81.4Confident28 Ų2859.1 Ų59.120%0.19632%0.324CS..Hα-helixtrans-51.9-52.1175.5174.90000111.8H397 D404 T409 R410 V411H397-S407 WeakPolarHBondContact NE2-CB 3.39Å; H397-S407 PolarHBondContact NE2-OG 2.77Å; D404-S407 VanDerWaalsContact O-CB 3.26Å; D404-S407 WeakPolarHBondContact O-CB 3.39Å; D404-S407 PolarHBondContact O-N 2.96Å; S407-T409 VanDerWaalsContact C-N 3.28Å; S407-T409 PolarHBondContact O-N 3.01Å; S407-R410 PolarHBondContact O-N 2.88Å; S407-V411 WeakPolarHBondContact O-CG2 3.43Å; S407-V411 PolarHBondContact O-N 3.21Å
408L83.2Confident81.4Confident15 Ų1559.1 Ų59.18%0.07933%0.329CS..Hα-helixtrans-57.7-39.3179-17955.2000112.2L399 H406 V411 L412 F429L399-L408 HydrophobicContact CD2-CD2 3.71Å; H406-L408 PolarHBondContact O-N 3.25Å; L408-V411 PolarHBondContact O-N 3.14Å; L408-L412 WeakPolarHBondContact O-CB 3.48Å; L408-L412 PolarHBondContact O-N 3.11Å; L408-F429 HydrophobicContact CD1-CD2 4.25Å; L408-F429 HydrophobicContact CD1-CE2 3.63Å; L408-F429 HydrophobicContact CD1-CZ 3.95Å; L408-F429 HydrophobicContact CD2-CB 4.43Å; L408-F429 HydrophobicContact CD2-CD2 3.4Å; L408-F429 HydrophobicContact CD2-CE2 3.69Å; L408-F429 HydrophobicContact CD2-CG 3.95Å; L408-F429 HydrophobicContact CD2-CZ 4.44Å; L408-F429 HydrophobicContact CG-CD2 3.86Å; L408-F429 HydrophobicContact CG-CE2 3.65Å; L408-F429 HydrophobicContact CG-CZ 4.44Å
409T85.8Confident81.5Confident43 Ų4359.1 Ų59.126%0.26433%0.327SS..Hα-helixtrans-65.4-37.8176.5-49.70000112.6H406 S407 Q413H406-T409 WeakPolarHBondContact O-CB 3.49Å; H406-T409 PolarHBondContact O-N 2.85Å; H406-T409 VanDerWaalsContact O-N 3.14Å; S407-T409 VanDerWaalsContact C-N 3.28Å; S407-T409 PolarHBondContact O-N 3.01Å; T409-Q413 WeakPolarHBondContact O-CG 3.44Å; T409-Q413 PolarHBondContact O-N 3.17Å
410R86.3Confident81.9Confident125 Ų12557.9 Ų57.947%0.47232%0.321SS..Hα-helixtrans-66.6-50.8175.2-63.5-171.6-164.7115.516.9110.9D404 H406 S407 L412 Q413 E414D404-R410 IonicContact OD1-NH2 2.72Å; D404-R410 IonicContact OD2-CZ 2.8Å; D404-R410 IonicContact OD2-NH1 3.43Å; D404-R410 PolarHBondContact OD2-NH1 3.35Å; D404-R410 IonicContact OD2-NH2 3.53Å; D404-R410 PolarHBondContact OD2-NH2 3.33Å; H406-R410 PolarHBondContact O-N 3.29Å; H406-R410 VanDerWaalsContact O-N 3.11Å; S407-R410 PolarHBondContact O-N 2.88Å; R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 3.35Å; R410-Q413 WeakPolarHBondContact O-CA 3.1Å; R410-Q413 WeakPolarHBondContact O-CB 3.49Å; R410-Q413 PolarHBondContact O-N 3Å; R410-E414 WeakPolarHBondContact O-CB 3.44Å; R410-E414 WeakPolarHBondContact O-CG 3.31Å; R410-E414 PolarHBondContact O-N 2.84Å
411V86.8Confident82.7Confident22 Ų2253.6 Ų53.613%0.13331%0.305CS..Hα-helixtrans-54.4-42.2177.3172.90000111.5L264 V395 S407 L408 Q413 E414 V415L264-V411 HydrophobicContact CD1-CG1 4.35Å; V395-V411 HydrophobicContact CG1-CG1 4.48Å; S407-V411 WeakPolarHBondContact O-CG2 3.43Å; S407-V411 PolarHBondContact O-N 3.21Å; L408-V411 PolarHBondContact O-N 3.14Å; V411-Q413 PolarHBondContact O-N 2.98Å; V411-E414 PolarHBondContact O-N 3.05Å; V411-V415 HydrophobicContact CG1-CG2 3.9Å; V411-V415 VanDerWaalsContact O-CB 3.28Å; V411-V415 WeakPolarHBondContact O-CB 3.38Å; V411-V415 VanDerWaalsContact O-CG2 3.29Å; V411-V415 WeakPolarHBondContact O-CG2 3.29Å; V411-V415 PolarHBondContact O-N 2.71Å
412L87.8Confident84.1Confident4 Ų450.9 Ų50.92%0.02128%0.276CS..Hα-helixtrans-65.3-37.6176.9-146.5-177.9000112.1L408 R410 Q416 P417 F429 L433 H436L408-L412 WeakPolarHBondContact O-CB 3.48Å; L408-L412 PolarHBondContact O-N 3.11Å; R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 3.35Å; L412-Q416 PolarHBondContact O-N 3.48Å; L412-P417 HydrophobicContact CD2-CG 4.37Å; L412-F429 HydrophobicContact CD1-CE2 3.88Å; L412-L433 HydrophobicContact CD1-CD2 4.11Å; L412-H436 HydrophobicContact CD1-CB 4.45Å; L412-H436 HydrophobicContact CD2-CB 4.15Å; L412-H436 VanDerWaalsContact CD2-CG 3.48Å
413Q85.9Confident85.3Confident107 Ų10749 Ų4950%0.526%0.263SS..Hα-helixtrans-71.5-35.6176.3-72.7178.916.800113.6T409 R410 V411 Q416 R440T409-Q413 WeakPolarHBondContact O-CG 3.44Å; T409-Q413 PolarHBondContact O-N 3.17Å; R410-Q413 WeakPolarHBondContact O-CA 3.1Å; R410-Q413 WeakPolarHBondContact O-CB 3.49Å; R410-Q413 PolarHBondContact O-N 3Å; V411-Q413 PolarHBondContact O-N 2.98Å; Q413-Q416 VanDerWaalsContact O-CG 3.23Å; Q413-Q416 WeakPolarHBondContact O-CG 3.21Å; Q413-Q416 PolarHBondContact O-NE2 3.38Å; Q413-R440 PolarHBondContact O-NH2 3.42Å
414E86.4Confident86.5Confident128 Ų12843.1 Ų43.160%0.59822%0.221SC*.Hα-helixtrans-78-55.3-179.3-71162.3-159.700112.6R410 V411 Q416R410-E414 WeakPolarHBondContact O-CB 3.44Å; R410-E414 WeakPolarHBondContact O-CG 3.31Å; R410-E414 PolarHBondContact O-N 2.84Å; V411-E414 PolarHBondContact O-N 3.05Å; E414-Q416 PolarHBondContact O-N 3.05Å
415V84.1Confident86.6Confident16 Ų1641.6 Ų41.610%0.09722%0.216CC..Hα-helixtrans-66.8-39.8-176.4176.10000110.7R262 V395 V411R262-V415 HydrophobicContact CB-CG1 4.28Å; R262-V415 WeakPolarHBondContact CD-O 3.31Å; R262-V415 PolarHBondContact NH1-O 2.68Å; V395-V415 HydrophobicContact CG2-CG1 4.09Å; V395-V415 HydrophobicContact CG2-CG2 3.97Å; V411-V415 HydrophobicContact CG1-CG2 3.9Å; V411-V415 VanDerWaalsContact O-CB 3.28Å; V411-V415 WeakPolarHBondContact O-CB 3.38Å; V411-V415 VanDerWaalsContact O-CG2 3.29Å; V411-V415 WeakPolarHBondContact O-CG2 3.29Å; V411-V415 PolarHBondContact O-N 2.71Å
416Q87.4Confident87Confident72 Ų7239.1 Ų39.134%0.33620%0.195SC..  trans51.959.2-173.8-43.2-1608.600112.4L412 Q413 E414 R440L412-Q416 PolarHBondContact O-N 3.48Å; Q413-Q416 VanDerWaalsContact O-CG 3.23Å; Q413-Q416 WeakPolarHBondContact O-CG 3.21Å; Q413-Q416 PolarHBondContact O-NE2 3.38Å; E414-Q416 PolarHBondContact O-N 3.05Å; Q416-R440 VanDerWaalsContact CD-NH1 3.28Å; Q416-R440 VanDerWaalsContact CG-NH1 3.32Å
417P89Confident87.2Confident11 Ų1134.6 Ų34.67%0.07118%0.175CC..  trans-60.8143.4-178.127.8-35.3000111.8R262 L264 L412 V420 L445R262-P417 WeakPolarHBondContact O-CA 3.42Å; L264-P417 HydrophobicContact CB-CB 3.79Å; L264-P417 HydrophobicContact CB-CG 3.96Å; L264-P417 HydrophobicContact CD2-CG 4.15Å; L412-P417 HydrophobicContact CD2-CG 4.37Å; P417-V420 HydrophobicContact CB-CG2 3.98Å; P417-V420 HydrophobicContact CG-CG2 3.77Å; P417-L445 WeakPolarHBondContact O-CD1 3.42Å
418A88.8Confident87.4Confident26 Ų2635.9 Ų35.922%0.21518%0.184CC..SBendtrans-90.2-33.4166.700000110.7R262 L445 R446R262-A418 PolarHBondContact O-N 3.03Å; A418-L445 WeakPolarHBondContact O-CA 3.46Å; A418-R446 PolarHBondContact O-N 2.91Å
419F91.3Very high87.6Confident14 Ų1435.2 Ų35.26%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-118131177.5-52.5-76.8000109.8I251 E254 N255 R262 V263 L264 R446I251-F419 HydrophobicContact CD1-CB 3.99Å; I251-F419 HydrophobicContact CD1-CG 4.27Å; I251-F419 HydrophobicContact CG1-CB 4.43Å; I251-F419 HydrophobicContact CG1-CD1 4.16Å; I251-F419 HydrophobicContact CG1-CG 4.17Å; I251-F419 HydrophobicContact CG2-CB 4.35Å; I251-F419 HydrophobicContact CG2-CD1 4.46Å; I251-F419 HydrophobicContact CG2-CD2 3.55Å; I251-F419 HydrophobicContact CG2-CE2 3.9Å; I251-F419 HydrophobicContact CG2-CG 3.87Å; I251-F419 HydrophobicContact CG2-CZ 4.49Å; E254-F419 HydrophobicContact CG-CZ 4.31Å; N255-F419 WeakPolarHBondContact OD1-CE2 3.48Å; R262-F419 PolarHBondContact O-N 3.08Å; V263-F419 WeakPolarHBondContact CA-O 3.32Å; V263-F419 HydrophobicContact CG2-CB 4.37Å; V263-F419 HydrophobicContact CG2-CD2 4.4Å; L264-F419 PolarHBondContact N-O 3.43Å; F419-R446 WeakPolarHBondContact CA-O 3.44Å; F419-R446 HydrophobicContact CD1-CB 4.19Å
420V92.7Very high87.8Confident0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-122.4129.4174.6178.90000108.7L264 P417 L422 F429 L433 L445 R446 V447 Y448L264-V420 HydrophobicContact CB-CG2 4.41Å; L264-V420 CarbonylContact O-C 3.58Å; L264-V420 WeakPolarHBondContact O-CA 3.34Å; P417-V420 HydrophobicContact CB-CG2 3.98Å; P417-V420 HydrophobicContact CG-CG2 3.77Å; V420-L422 HydrophobicContact CG1-CD2 3.83Å; V420-L422 HydrophobicContact CG1-CG 4.49Å; V420-F429 HydrophobicContact CG1-CE1 4.18Å; V420-F429 HydrophobicContact CG1-CZ 4.47Å; V420-L433 HydrophobicContact CB-CD2 4.48Å; V420-L433 HydrophobicContact CG1-CD1 4.15Å; V420-L433 HydrophobicContact CG1-CD2 4.23Å; V420-L433 HydrophobicContact CG2-CD2 4Å; V420-L445 HydrophobicContact CG2-CD1 3.79Å; V420-R446 PolarHBondContact N-O 3.15Å; V420-V447 HydrophobicContact CB-CG1 4.46Å; V420-V447 HydrophobicContact CB-CG2 4.42Å; V420-V447 HydrophobicContact CG1-CG1 4.5Å; V420-V447 CarbonylContact O-C 3.47Å; V420-V447 WeakPolarHBondContact O-CA 3.33Å; V420-Y448 PolarHBondContact O-N 3.37Å
421V93.1Very high87.9Confident0 Ų032.2 Ų32.20%017%0.167CC..EExtended strand (participates in β ladder)trans-115.2112.4178.9-1740000109.1L244 V247 I251 V263 L264 I265 C266 Y423 Y448 L450L244-V421 HydrophobicContact CD1-CG1 3.75Å; V247-V421 HydrophobicContact CG1-CG2 4.1Å; I251-V421 HydrophobicContact CD1-CG2 4.15Å; V263-V421 HydrophobicContact CG1-CG2 4.37Å; L264-V421 PolarHBondContact O-N 3.05Å; I265-V421 WeakPolarHBondContact CA-O 3.37Å; I265-V421 HydrophobicContact CG1-CB 4.43Å; C266-V421 PolarHBondContact N-O 2.92Å; V421-Y423 PolarHBondContact O-N 3.44Å; V421-Y448 HydrophobicContact CG2-CD2 4.31Å; V421-L450 HydrophobicContact CG1-CD1 3.83Å
422L92.8Very high88.1Confident1 Ų134.1 Ų34.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-90.599.5177.1-54.4-175.5000108.9C266 V420 F429 V430 L433 V447 Y448 F449 L450C266-L422 HydrophobicContact CB-CD2 4.21Å; V420-L422 HydrophobicContact CG1-CD2 3.83Å; V420-L422 HydrophobicContact CG1-CG 4.49Å; L422-F429 HydrophobicContact CD2-CD1 3.53Å; L422-F429 HydrophobicContact CD2-CE1 3.42Å; L422-F429 VanDerWaalsContact CD2-CE1 3.42Å; L422-V430 HydrophobicContact CD1-CG2 4.17Å; L422-L433 HydrophobicContact CD1-CD1 4.39Å; L422-L433 HydrophobicContact CD2-CD1 4.27Å; L422-V447 HydrophobicContact CD1-CG1 3.79Å; L422-V447 HydrophobicContact CG-CG1 3.94Å; L422-Y448 WeakPolarHBondContact CB-O 3.3Å; L422-Y448 PolarHBondContact N-O 3.01Å; L422-F449 HydrophobicContact CD1-CD1 3.95Å; L422-F449 HydrophobicContact CD1-CD2 4.09Å; L422-F449 HydrophobicContact CD1-CE1 3.67Å; L422-F449 HydrophobicContact CD1-CE2 3.81Å; L422-F449 HydrophobicContact CD1-CG 4.17Å; L422-F449 HydrophobicContact CD1-CZ 3.6Å; L422-L450 PolarHBondContact O-N 2.82Å; L422-L450 VanDerWaalsContact O-N 3.08Å
423Y90.1Very high88.2Confident5 Ų534 Ų342%0.0217%0.174CC..SBendtrans-74.9-32.4174.7-173.3-87.9000111.5K240 W241 L244 C266 A267 L276 V421 L450K240-Y423 HydrophobicContact CB-CE2 3.72Å; K240-Y423 HydrophobicContact CD-CE1 4.15Å; K240-Y423 HydrophobicContact CD-CE2 4.1Å; K240-Y423 HydrophobicContact CG-CE2 4.41Å; K240-Y423 PolarHBondContact NZ-O 2.71Å; W241-Y423 PolarHBondContact NE1-OH 3.41Å; L244-Y423 HydrophobicContact CD2-CD2 4.23Å; L244-Y423 HydrophobicContact CD2-CE2 4.48Å; C266-Y423 WeakPolarHBondContact O-CB 3.2Å; C266-Y423 PolarHBondContact O-N 3.13Å; A267-Y423 HydrophobicContact CB-CD1 4.19Å; A267-Y423 HydrophobicContact CB-CG 4.46Å; L276-Y423 HydrophobicContact CD1-CD1 4.31Å; L276-Y423 HydrophobicContact CD1-CD2 4.07Å; L276-Y423 HydrophobicContact CD1-CG 3.95Å; L276-Y423 HydrophobicContact CD2-CD2 4.13Å; L276-Y423 HydrophobicContact CD2-CE2 3.87Å; V421-Y423 PolarHBondContact O-N 3.44Å; Y423-L450 HydrophobicContact CD2-CD2 4.38Å
424D87.6Confident88.3Confident9 Ų931 Ų315%0.04816%0.16CC..SBendtrans-126.2129.5167.9-66-84.9000108.7S268 L399S268-D424 WeakPolarHBondContact CB-OD2 3.39Å; S268-D424 PolarHBondContact N-OD2 3.2Å; S268-D424 PolarHBondContact OG-OD2 3.31Å; L399-D424 WeakPolarHBondContact CD1-O 3.47Å
425A81.4Confident88.5Confident20 Ų2029.4 Ų29.417%0.16516%0.159CC..  trans-87.1118.6-178.800000112.4F449 Y461A425-F449 HydrophobicContact CB-CD1 4.21Å; A425-F449 HydrophobicContact CB-CE1 4.48Å; A425-Y461 HydrophobicContact CB-CD2 4.11Å; A425-Y461 HydrophobicContact CB-CE2 4.05Å
426E83.3Confident88.7Confident54 Ų5430.3 Ų30.325%0.25216%0.162SC..  trans-122.3129.8168.4-164.2177.5120.700113L399 R400 S428 F429 V430L399-E426 HydrophobicContact CD1-CB 4.48Å; R400-E426 IonicContact CZ-OE2 3.37Å; R400-E426 IonicContact NE-OE2 2.69Å; R400-E426 PolarHBondContact NE-OE2 2.99Å; R400-E426 IonicContact NH2-OE2 3.83Å; R400-E426 PolarHBondContact NH2-OE2 3.09Å; E426-S428 VanDerWaalsContact CD-OG 3.29Å; E426-S428 WeakPolarHBondContact CG-OG 3.42Å; E426-S428 PolarHBondContact O-N 2.65Å; E426-S428 VanDerWaalsContact O-N 3.17Å; E426-S428 WeakPolarHBondContact OE1-CB 3.42Å; E426-S428 PolarHBondContact OE1-OG 3.27Å; E426-F429 PolarHBondContact O-N 3.28Å; E426-F429 VanDerWaalsContact O-N 3.08Å; E426-V430 WeakPolarHBondContact O-CG2 3.23Å; E426-V430 PolarHBondContact O-N 2.97Å
427L84.2Confident88.7Confident27 Ų2728.9 Ų28.914%0.14115%0.153CC..Hα-helixtrans-56.8-30.2-177.2-67.3170.2000114.7R431 Y461 A464 L465L427-R431 WeakPolarHBondContact O-CD 3.15Å; L427-R431 VanDerWaalsContact O-CG 3.32Å; L427-R431 WeakPolarHBondContact O-CG 3.38Å; L427-R431 PolarHBondContact O-N 3.4Å; L427-Y461 HydrophobicContact CD2-CD2 4.04Å; L427-Y461 HydrophobicContact CD2-CE1 4.36Å; L427-Y461 HydrophobicContact CD2-CE2 3.33Å; L427-Y461 HydrophobicContact CG-CD2 4.06Å; L427-Y461 HydrophobicContact CG-CE2 3.7Å; L427-A464 HydrophobicContact CD1-CB 3.71Å; L427-L465 HydrophobicContact CD1-CD2 4.36Å; L427-L465 HydrophobicContact CD1-CG 4.11Å; L427-L465 HydrophobicContact CD2-CD1 4.05Å; L427-L465 HydrophobicContact CD2-CD2 3.52Å; L427-L465 HydrophobicContact CD2-CG 3.6Å
428S86.9Confident88.6Confident54 Ų5429.8 Ų29.838%0.37816%0.162SC..Hα-helixtrans-61.2-48.8175.6570000111E426 Q432E426-S428 VanDerWaalsContact CD-OG 3.29Å; E426-S428 WeakPolarHBondContact CG-OG 3.42Å; E426-S428 PolarHBondContact O-N 2.65Å; E426-S428 VanDerWaalsContact O-N 3.17Å; E426-S428 WeakPolarHBondContact OE1-CB 3.42Å; E426-S428 PolarHBondContact OE1-OG 3.27Å; S428-Q432 WeakPolarHBondContact O-CG 3.41Å; S428-Q432 PolarHBondContact O-N 3.11Å
429F88.8Confident88.4Confident1 Ų131.4 Ų31.40%0.00418%0.181CC..Hα-helixtrans-77-37.5-175.2-173.8-131.7000112.8L264 C266 L399 L408 L412 V420 L422 E426 R431 Q432 L433L264-F429 HydrophobicContact CD2-CZ 4.3Å; C266-F429 HydrophobicContact CB-CD1 4.4Å; C266-F429 HydrophobicContact CB-CE1 3.86Å; C266-F429 WeakPolarHBondContact SG-CE1 3.47Å; L399-F429 HydrophobicContact CD2-CB 4.05Å; L399-F429 HydrophobicContact CD2-CD1 3.7Å; L399-F429 HydrophobicContact CD2-CE1 4.26Å; L399-F429 HydrophobicContact CD2-CG 3.88Å; L408-F429 HydrophobicContact CD1-CD2 4.25Å; L408-F429 HydrophobicContact CD1-CE2 3.63Å; L408-F429 HydrophobicContact CD1-CZ 3.95Å; L408-F429 HydrophobicContact CD2-CB 4.43Å; L408-F429 HydrophobicContact CD2-CD2 3.4Å; L408-F429 HydrophobicContact CD2-CE2 3.69Å; L408-F429 HydrophobicContact CD2-CG 3.95Å; L408-F429 HydrophobicContact CD2-CZ 4.44Å; L408-F429 HydrophobicContact CG-CD2 3.86Å; L408-F429 HydrophobicContact CG-CE2 3.65Å; L408-F429 HydrophobicContact CG-CZ 4.44Å; L412-F429 HydrophobicContact CD1-CE2 3.88Å; V420-F429 HydrophobicContact CG1-CE1 4.18Å; V420-F429 HydrophobicContact CG1-CZ 4.47Å; L422-F429 HydrophobicContact CD2-CD1 3.53Å; L422-F429 HydrophobicContact CD2-CE1 3.42Å; L422-F429 VanDerWaalsContact CD2-CE1 3.42Å; E426-F429 PolarHBondContact O-N 3.28Å; E426-F429 VanDerWaalsContact O-N 3.08Å; F429-R431 PolarHBondContact O-N 3.16Å; F429-Q432 HydrophobicContact CD2-CB 4.27Å; F429-Q432 WeakPolarHBondContact O-CA 3.26Å; F429-Q432 WeakPolarHBondContact O-CB 3.49Å; F429-Q432 PolarHBondContact O-N 3.37Å; F429-L433 HydrophobicContact CD1-CD1 4.06Å; F429-L433 HydrophobicContact CE1-CD1 3.89Å; F429-L433 HydrophobicContact CE1-CG 4.36Å; F429-L433 HydrophobicContact CE2-CD2 4.39Å; F429-L433 HydrophobicContact CE2-CG 4.28Å; F429-L433 HydrophobicContact CZ-CD1 4.2Å; F429-L433 HydrophobicContact CZ-CD2 4.1Å; F429-L433 HydrophobicContact CZ-CG 4.19Å; F429-L433 WeakPolarHBondContact O-CG 3.41Å; F429-L433 PolarHBondContact O-N 3.36Å
430V89.6Confident88Confident28 Ų2834.1 Ų34.117%0.1719%0.191CC..Hα-helixtrans-53.8-41.9173.21770000111.1L422 E426 L433 E434 F449L422-V430 HydrophobicContact CD1-CG2 4.17Å; E426-V430 WeakPolarHBondContact O-CG2 3.23Å; E426-V430 PolarHBondContact O-N 2.97Å; V430-L433 WeakPolarHBondContact O-CB 3.24Å; V430-L433 PolarHBondContact O-N 3Å; V430-E434 PolarHBondContact O-N 3.08Å; V430-E434 VanDerWaalsContact O-N 3.11Å; V430-F449 HydrophobicContact CB-CZ 4.41Å; V430-F449 HydrophobicContact CG1-CZ 3.95Å; V430-F449 HydrophobicContact CG2-CE1 3.59Å; V430-F449 HydrophobicContact CG2-CZ 3.57Å
431R88.8Confident87.4Confident77 Ų7738 Ų3829%0.29122%0.216SC..Hα-helixtrans-71.8-32.9177.2-66.7168.7-170.6-174.13.8113L427 F429 L433 E434 V435 E468L427-R431 WeakPolarHBondContact O-CD 3.15Å; L427-R431 VanDerWaalsContact O-CG 3.32Å; L427-R431 WeakPolarHBondContact O-CG 3.38Å; L427-R431 PolarHBondContact O-N 3.4Å; F429-R431 PolarHBondContact O-N 3.16Å; R431-L433 VanDerWaalsContact C-N 3.31Å; R431-E434 PolarHBondContact O-N 3.31Å; R431-V435 WeakPolarHBondContact O-CG2 3.37Å; R431-V435 PolarHBondContact O-N 2.97Å; R431-E468 IonicContact CZ-OE1 2.72Å; R431-E468 IonicContact CZ-OE2 3.13Å; R431-E468 VanDerWaalsContact CZ-OE2 3.32Å; R431-E468 VanDerWaalsContact NH1-CD 3.32Å; R431-E468 IonicContact NH1-OE1 3.32Å; R431-E468 PolarHBondContact NH1-OE1 3.18Å; R431-E468 IonicContact NH1-OE2 2.73Å; R431-E468 PolarHBondContact NH1-OE2 2.85Å; R431-E468 VanDerWaalsContact NH1-OE2 3.11Å; R431-E468 VanDerWaalsContact NH2-CD 3.33Å; R431-E468 IonicContact NH2-OE1 3.21Å; R431-E468 PolarHBondContact NH2-OE1 3.47Å; R431-E468 IonicContact NH2-OE2 3.92Å; R431-E468 PolarHBondContact NH2-OE2 3.01Å
432Q89.3Confident86.7Confident62 Ų6241.4 Ų41.429%0.2925%0.251SS..Hα-helixtrans-65.3-36171.9-69.5175.8600111.6S428 F429 V435 H436S428-Q432 WeakPolarHBondContact O-CG 3.41Å; S428-Q432 PolarHBondContact O-N 3.11Å; F429-Q432 HydrophobicContact CD2-CB 4.27Å; F429-Q432 WeakPolarHBondContact O-CA 3.26Å; F429-Q432 WeakPolarHBondContact O-CB 3.49Å; F429-Q432 PolarHBondContact O-N 3.37Å; Q432-V435 PolarHBondContact O-N 3.42Å; Q432-H436 WeakPolarHBondContact O-CB 3.13Å; Q432-H436 PolarHBondContact O-N 2.95Å
433L89.9Confident86.2Confident3 Ų346.8 Ų46.82%0.01627%0.274CS..Hα-helixtrans-66.7-43.4174.4-68.2164.8000112.1L412 V420 L422 F429 V430 R431 V435 H436 R437 L445 V447L412-L433 HydrophobicContact CD1-CD2 4.11Å; V420-L433 HydrophobicContact CB-CD2 4.48Å; V420-L433 HydrophobicContact CG1-CD1 4.15Å; V420-L433 HydrophobicContact CG1-CD2 4.23Å; V420-L433 HydrophobicContact CG2-CD2 4Å; L422-L433 HydrophobicContact CD1-CD1 4.39Å; L422-L433 HydrophobicContact CD2-CD1 4.27Å; F429-L433 HydrophobicContact CD1-CD1 4.06Å; F429-L433 HydrophobicContact CE1-CD1 3.89Å; F429-L433 HydrophobicContact CE1-CG 4.36Å; F429-L433 HydrophobicContact CE2-CD2 4.39Å; F429-L433 HydrophobicContact CE2-CG 4.28Å; F429-L433 HydrophobicContact CZ-CD1 4.2Å; F429-L433 HydrophobicContact CZ-CD2 4.1Å; F429-L433 HydrophobicContact CZ-CG 4.19Å; F429-L433 WeakPolarHBondContact O-CG 3.41Å; F429-L433 PolarHBondContact O-N 3.36Å; V430-L433 WeakPolarHBondContact O-CB 3.24Å; V430-L433 PolarHBondContact O-N 3Å; R431-L433 VanDerWaalsContact C-N 3.31Å; L433-V435 PolarHBondContact O-N 3.02Å; L433-H436 PolarHBondContact O-N 3.03Å; L433-R437 WeakPolarHBondContact O-CB 3.29Å; L433-R437 PolarHBondContact O-N 2.86Å; L433-L445 HydrophobicContact CD2-CD2 4.29Å; L433-V447 HydrophobicContact CD1-CG1 4.03Å; L433-V447 HydrophobicContact CD1-CG2 4.34Å
434E89.3Confident85.8Confident43 Ų4351.2 Ų51.220%0.20130%0.303CS..Hα-helixtrans-55.4-50.6171.2-68.4-168.8137.600111.6R56 V430 R431 H436 R437 A438R56-E434 IonicContact CZ-OE1 3.48Å; R56-E434 IonicContact CZ-OE2 3.82Å; R56-E434 IonicContact NE-OE1 3.54Å; R56-E434 IonicContact NE-OE2 3.18Å; R56-E434 PolarHBondContact NE-OE2 3.3Å; R56-E434 IonicContact NH2-OE1 2.81Å; R56-E434 PolarHBondContact NH2-OE1 2.62Å; R56-E434 IonicContact NH2-OE2 2.73Å; R56-E434 PolarHBondContact NH2-OE2 3.14Å; V430-E434 PolarHBondContact O-N 3.08Å; V430-E434 VanDerWaalsContact O-N 3.11Å; R431-E434 PolarHBondContact O-N 3.31Å; E434-H436 VanDerWaalsContact C-N 3.34Å; E434-H436 PolarHBondContact O-N 3.37Å; E434-R437 PolarHBondContact O-N 2.86Å; E434-A438 WeakPolarHBondContact O-CB 3.45Å; E434-A438 PolarHBondContact O-N 2.8Å
435V89.5Confident85.8Confident94 Ų9451.2 Ų51.257%0.5730%0.303SS*.Hα-helixtrans-64.8-37.8-179.2170.90000111.5R431 Q432 L433 A438 G439R431-V435 WeakPolarHBondContact O-CG2 3.37Å; R431-V435 PolarHBondContact O-N 2.97Å; Q432-V435 PolarHBondContact O-N 3.42Å; L433-V435 PolarHBondContact O-N 3.02Å; V435-A438 PolarHBondContact O-N 3.46Å; V435-G439 PolarHBondContact O-N 2.96Å
436H88.6Confident86.3Confident36 Ų3651.5 Ų51.517%0.16730%0.3CS..Hα-helixtrans-64.4-44.7176.7-166.981.4000112.2L412 Q432 L433 E434 G439 R440L412-H436 HydrophobicContact CD1-CB 4.45Å; L412-H436 HydrophobicContact CD2-CB 4.15Å; L412-H436 VanDerWaalsContact CD2-CG 3.48Å; Q432-H436 WeakPolarHBondContact O-CB 3.13Å; Q432-H436 PolarHBondContact O-N 2.95Å; L433-H436 PolarHBondContact O-N 3.03Å; E434-H436 VanDerWaalsContact C-N 3.34Å; E434-H436 PolarHBondContact O-N 3.37Å; H436-G439 PolarHBondContact O-N 3.03Å; H436-R440 VanDerWaalsContact CE1-CZ 3.46Å; H436-R440 PolarHBondContact CE1-NH1 3.41Å; H436-R440 PolarHBondContact NE2-NH1 2.66Å; H436-R440 PolarHBondContact O-N 2.73Å; H436-R440 VanDerWaalsContact O-N 3.15Å
437R88.5Confident86.8Confident42 Ų4249 Ų4916%0.15829%0.289CS..Hα-helixtrans-64.5-42.6177.6-176.962.6168.2121.1-3.4111.6H68 K69 L433 E434 G439 R440 K443 L445H68-R437 HydrophobicContact CB-CG 4.47Å; H68-R437 WeakPolarHBondContact O-CG 3.32Å; K69-R437 PolarHBondContact O-NE 2.91Å; L433-R437 WeakPolarHBondContact O-CB 3.29Å; L433-R437 PolarHBondContact O-N 2.86Å; E434-R437 PolarHBondContact O-N 2.86Å; R437-G439 VanDerWaalsContact C-N 3.33Å; R437-G439 PolarHBondContact O-N 2.67Å; R437-R440 CarbonylContact O-C 3.21Å; R437-R440 PolarHBondContact O-N 2.86Å; R437-K443 PolarHBondContact NE-O 2.85Å; R437-K443 PolarHBondContact NH1-O 2.88Å; R437-L445 HydrophobicContact CB-CD2 4.18Å
438A86.4Confident87.2Confident30 Ų3047.9 Ų47.925%0.24828%0.283CS..Hα-helixtrans-63.9-36.317500000112.8L65 E434 V435 R440L65-A438 HydrophobicContact CD2-CB 3.78Å; E434-A438 WeakPolarHBondContact O-CB 3.45Å; E434-A438 PolarHBondContact O-N 2.8Å; V435-A438 PolarHBondContact O-N 3.46Å; A438-R440 VanDerWaalsContact C-N 3.3Å; A438-R440 PolarHBondContact O-N 3.32Å
439G85.1Confident87.5Confident60 Ų6045.7 Ų45.762%0.61927%0.266SS*.Hα-helixtrans-74.3-11.9175.700000115.1V435 H436 R437V435-G439 PolarHBondContact O-N 2.96Å; H436-G439 PolarHBondContact O-N 3.03Å; R437-G439 VanDerWaalsContact C-N 3.33Å; R437-G439 PolarHBondContact O-N 2.67Å
440R82.8Confident87.6Confident71 Ų7145.7 Ų45.727%0.26827%0.266SS..SBendtrans-134.477.5178.5-68.6-179.6175.8170.6-6.6111.6Q413 Q416 H436 R437 A438Q413-R440 PolarHBondContact O-NH2 3.42Å; Q416-R440 VanDerWaalsContact CD-NH1 3.28Å; Q416-R440 VanDerWaalsContact CG-NH1 3.32Å; H436-R440 VanDerWaalsContact CE1-CZ 3.46Å; H436-R440 PolarHBondContact CE1-NH1 3.41Å; H436-R440 PolarHBondContact NE2-NH1 2.66Å; H436-R440 PolarHBondContact O-N 2.73Å; H436-R440 VanDerWaalsContact O-N 3.15Å; R437-R440 CarbonylContact O-C 3.21Å; R437-R440 PolarHBondContact O-N 2.86Å; A438-R440 VanDerWaalsContact C-N 3.3Å; A438-R440 PolarHBondContact O-N 3.32Å
441P80Confident87.6Confident81 Ų8145.1 Ų45.153%0.52626%0.262SS..THydrogen-bonded Turntrans-50.9148.9170.6-26.835.8000112.7K443P441-K443 VanDerWaalsContact C-N 3.33Å; P441-K443 PolarHBondContact O-N 2.77Å
442G77.4Confident87.6Confident71 Ų7141.5 Ų41.573%0.73225%0.249SC*.THydrogen-bonded Turntrans81.3-25.3172.800000117.6
443K81.8Confident87.5Confident115 Ų11539.7 Ų39.750%0.525%0.247SC..  trans-84.2118.6174.4-69.4-164.3177.2-164.40111.5R437 P441R437-K443 PolarHBondContact NE-O 2.85Å; R437-K443 PolarHBondContact NH1-O 2.88Å; P441-K443 VanDerWaalsContact C-N 3.33Å; P441-K443 PolarHBondContact O-N 2.77Å
444P81.7Confident87.3Confident97 Ų9742.5 Ų42.563%0.6328%0.276SS*.  trans-63149.7175.827.8-34.4000111.2
445L89.1Confident87.3Confident9 Ų940.7 Ų40.75%0.04727%0.269CS..  trans-146.2106.4177.2-178.966.9000107.4P70 E71 P417 A418 V420 L433 R437 V447P70-L445 HydrophobicContact CB-CD2 4.37Å; E71-L445 PolarHBondContact N-O 3.4Å; P417-L445 WeakPolarHBondContact O-CD1 3.42Å; A418-L445 WeakPolarHBondContact O-CA 3.46Å; V420-L445 HydrophobicContact CG2-CD1 3.79Å; L433-L445 HydrophobicContact CD2-CD2 4.29Å; R437-L445 HydrophobicContact CB-CD2 4.18Å; L445-V447 HydrophobicContact CG-CG2 4.19Å
446R91.1Very high87Confident27 Ų2737 Ų3710%0.10225%0.247CC..EExtended strand (participates in β ladder)trans-100.1127.5174.9-169.216481-128.14.5109.5E71 V73 E250 E254 A418 F419 V420 Y448E71-R446 HydrophobicContact CB-CB 4.35Å; E71-R446 HydrophobicContact CB-CG 4.23Å; E71-R446 HydrophobicContact CG-CG 4.06Å; E71-R446 CarbonylContact O-C 3.57Å; E71-R446 WeakPolarHBondContact O-CA 3.47Å; E71-R446 WeakPolarHBondContact OE2-CD 3.44Å; V73-R446 HydrophobicContact CG2-CG 4.03Å; E250-R446 IonicContact OE1-NH2 3.6Å; E254-R446 IonicContact OE1-NH1 3.09Å; E254-R446 PolarHBondContact OE1-NH1 2.9Å; E254-R446 VanDerWaalsContact OE1-NH1 3.09Å; E254-R446 IonicContact OE2-CZ 3.19Å; E254-R446 IonicContact OE2-NH1 2.81Å; E254-R446 PolarHBondContact OE2-NH1 3.13Å; E254-R446 IonicContact OE2-NH2 2.66Å; E254-R446 PolarHBondContact OE2-NH2 3.25Å; A418-R446 PolarHBondContact O-N 2.91Å; F419-R446 WeakPolarHBondContact CA-O 3.44Å; F419-R446 HydrophobicContact CD1-CB 4.19Å; V420-R446 PolarHBondContact N-O 3.15Å; R446-Y448 HydrophobicContact CG-CE2 4.3Å; R446-Y448 PolarHBondContact NE-OH 3.31Å; R446-Y448 PolarHBondContact NH2-OH 3.21Å
447V93.2Very high86.9Confident2 Ų235.9 Ų35.91%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-117.3114.5-174.9-1720000109.1P70 E71 V72 V73 V420 L422 L433 L445 F449P70-V447 HydrophobicContact CB-CG2 4.02Å; E71-V447 PolarHBondContact O-N 3.48Å; V72-V447 WeakPolarHBondContact CA-O 3.25Å; V73-V447 PolarHBondContact N-O 3.49Å; V420-V447 HydrophobicContact CB-CG1 4.46Å; V420-V447 HydrophobicContact CB-CG2 4.42Å; V420-V447 HydrophobicContact CG1-CG1 4.5Å; V420-V447 CarbonylContact O-C 3.47Å; V420-V447 WeakPolarHBondContact O-CA 3.33Å; L422-V447 HydrophobicContact CD1-CG1 3.79Å; L422-V447 HydrophobicContact CG-CG1 3.94Å; L433-V447 HydrophobicContact CD1-CG1 4.03Å; L433-V447 HydrophobicContact CD1-CG2 4.34Å; L445-V447 HydrophobicContact CG-CG2 4.19Å; V447-F449 HydrophobicContact CB-CE2 4.26Å; V447-F449 HydrophobicContact CG1-CD2 3.93Å; V447-F449 HydrophobicContact CG1-CE2 3.56Å; V447-F449 HydrophobicContact CG1-CZ 4.45Å
448Y93.8Very high86.9Confident2 Ų235.9 Ų35.91%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-89.4129.2173.6-69.9-96000110.2V73 L75 V247 E250 I251 V420 V421 L422 R446V73-Y448 HydrophobicContact CB-CD1 3.91Å; V73-Y448 HydrophobicContact CB-CE1 4.24Å; V73-Y448 HydrophobicContact CB-CG 4.47Å; V73-Y448 HydrophobicContact CG1-CD1 3.94Å; V73-Y448 HydrophobicContact CG1-CE1 4.07Å; V73-Y448 HydrophobicContact CG2-CE1 4.49Å; V73-Y448 WeakPolarHBondContact O-CA 3.45Å; L75-Y448 HydrophobicContact CD1-CD1 3.89Å; V247-Y448 HydrophobicContact CB-CE1 4.42Å; V247-Y448 HydrophobicContact CG1-CD1 3.76Å; V247-Y448 HydrophobicContact CG1-CD2 3.94Å; V247-Y448 HydrophobicContact CG1-CE1 3.74Å; V247-Y448 HydrophobicContact CG1-CE2 3.96Å; V247-Y448 HydrophobicContact CG1-CG 3.82Å; V247-Y448 HydrophobicContact CG2-CD1 3.86Å; V247-Y448 HydrophobicContact CG2-CE1 3.89Å; E250-Y448 PolarHBondContact OE1-OH 2.85Å; E250-Y448 VanDerWaalsContact OE1-OH 3.1Å; E250-Y448 WeakPolarHBondContact OE2-CE1 3.19Å; E250-Y448 PolarHBondContact OE2-OH 3.37Å; I251-Y448 HydrophobicContact CD1-CD2 4.28Å; I251-Y448 HydrophobicContact CD1-CE2 3.75Å; I251-Y448 HydrophobicContact CG1-CE2 4.01Å; V420-Y448 PolarHBondContact O-N 3.37Å; V421-Y448 HydrophobicContact CG2-CD2 4.31Å; L422-Y448 WeakPolarHBondContact CB-O 3.3Å; L422-Y448 PolarHBondContact N-O 3.01Å; R446-Y448 HydrophobicContact CG-CE2 4.3Å; R446-Y448 PolarHBondContact NE-OH 3.31Å; R446-Y448 PolarHBondContact NH2-OH 3.21Å
449F92.3Very high87Confident8 Ų837.7 Ų37.74%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-108.7113.9174.2-79.9-110.3000109.8V72 V73 L75 L422 A425 V430 V447 I451V72-F449 HydrophobicContact CG1-CD2 3.68Å; V72-F449 HydrophobicContact CG1-CE2 3.66Å; V72-F449 HydrophobicContact CG2-CE2 4.44Å; V73-F449 PolarHBondContact O-N 2.69Å; L75-F449 PolarHBondContact N-O 2.81Å; L422-F449 HydrophobicContact CD1-CD1 3.95Å; L422-F449 HydrophobicContact CD1-CD2 4.09Å; L422-F449 HydrophobicContact CD1-CE1 3.67Å; L422-F449 HydrophobicContact CD1-CE2 3.81Å; L422-F449 HydrophobicContact CD1-CG 4.17Å; L422-F449 HydrophobicContact CD1-CZ 3.6Å; A425-F449 HydrophobicContact CB-CD1 4.21Å; A425-F449 HydrophobicContact CB-CE1 4.48Å; V430-F449 HydrophobicContact CB-CZ 4.41Å; V430-F449 HydrophobicContact CG1-CZ 3.95Å; V430-F449 HydrophobicContact CG2-CE1 3.59Å; V430-F449 HydrophobicContact CG2-CZ 3.57Å; V447-F449 HydrophobicContact CB-CE2 4.26Å; V447-F449 HydrophobicContact CG1-CD2 3.93Å; V447-F449 HydrophobicContact CG1-CE2 3.56Å; V447-F449 HydrophobicContact CG1-CZ 4.45Å; F449-I451 HydrophobicContact CB-CD1 4.45Å; F449-I451 HydrophobicContact CB-CG1 4.43Å; F449-I451 HydrophobicContact CD1-CD1 4.39Å
450L91.3Very high87.1Confident1 Ų137 Ų371%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-95.299.2173.9-77.665.9000109.1L75 K240 V243 L244 V421 L422 Y423L75-L450 HydrophobicContact CD1-CD1 4.32Å; K240-L450 WeakPolarHBondContact CE-O 3.06Å; K240-L450 HydrophobicContact CG-CB 4.47Å; K240-L450 PolarHBondContact NZ-O 3.24Å; V243-L450 HydrophobicContact CG1-CD2 4.35Å; V243-L450 HydrophobicContact CG1-CG 4.28Å; L244-L450 HydrophobicContact CB-CD2 4.22Å; V421-L450 HydrophobicContact CG1-CD1 3.83Å; L422-L450 PolarHBondContact O-N 2.82Å; L422-L450 VanDerWaalsContact O-N 3.08Å; Y423-L450 HydrophobicContact CD2-CD2 4.38Å
451I89.6Confident87.4Confident17 Ų1735.6 Ų35.69%0.08722%0.22CC..EExtended strand (participates in β ladder)trans-112.9129.9-178.6-61.4178.4000109.2L75 H76 V77 F449 G453 E458L75-I451 PolarHBondContact O-N 3.13Å; L75-I451 VanDerWaalsContact O-N 3.1Å; H76-I451 CarbonylContact C-O 3.49Å; H76-I451 WeakPolarHBondContact CA-O 3.47Å; V77-I451 PolarHBondContact N-O 2.87Å; F449-I451 HydrophobicContact CB-CD1 4.45Å; F449-I451 HydrophobicContact CB-CG1 4.43Å; F449-I451 HydrophobicContact CD1-CD1 4.39Å; I451-G453 PolarHBondContact O-N 3.48Å; I451-E458 HydrophobicContact CG2-CB 3.79Å; I451-E458 HydrophobicContact CG2-CG 4.05Å
452Y90Very high87.8Confident0 Ų036 Ų360%022%0.217CC..EExtended strand (participates in β ladder)trans-72.7112.5170.6-82-61.7000110.2V77 L79 T160 S238 P239 K240 S455V77-Y452 HydrophobicContact CB-CD1 3.88Å; V77-Y452 HydrophobicContact CB-CE1 4.14Å; V77-Y452 HydrophobicContact CG1-CD1 3.88Å; V77-Y452 HydrophobicContact CG1-CE1 3.65Å; V77-Y452 CarbonylContact O-C 3.55Å; V77-Y452 VanDerWaalsContact O-CA 3.26Å; V77-Y452 WeakPolarHBondContact O-CA 3.42Å; L79-Y452 HydrophobicContact CD2-CD1 3.61Å; L79-Y452 HydrophobicContact CD2-CD2 4.25Å; L79-Y452 HydrophobicContact CD2-CE1 3.96Å; L79-Y452 HydrophobicContact CD2-CG 3.78Å; L79-Y452 HydrophobicContact CG-CD1 4.13Å; L79-Y452 HydrophobicContact CG-CG 4.36Å; T160-Y452 HydrophobicContact CG2-CD2 4.01Å; T160-Y452 HydrophobicContact CG2-CE2 4.3Å; S238-Y452 PolarHBondContact OG-OH 3.31Å; S238-Y452 VanDerWaalsContact OG-OH 3.07Å; P239-Y452 HydrophobicContact CB-CE1 4.38Å; K240-Y452 HydrophobicContact CB-CE2 4.44Å; K240-Y452 HydrophobicContact CD-CD2 4Å; K240-Y452 HydrophobicContact CD-CE2 3.53Å; K240-Y452 HydrophobicContact CG-CD2 4.34Å; K240-Y452 HydrophobicContact CG-CE1 4.08Å; K240-Y452 HydrophobicContact CG-CE2 3.76Å; Y452-S455 WeakPolarHBondContact CB-OG 3.43Å; Y452-S455 WeakPolarHBondContact O-CB 3.32Å; Y452-S455 PolarHBondContact O-N 3.34Å; Y452-S455 PolarHBondContact O-OG 3.31Å
453G87Confident88.2Confident25 Ų2533.4 Ų33.426%0.25819%0.187SC..EExtended strand (participates in β ladder)trans-71.1134.5179.700000112.7V77 I451 S455 E458V77-G453 PolarHBondContact O-N 3.18Å; I451-G453 PolarHBondContact O-N 3.48Å; G453-S455 VanDerWaalsContact C-N 3.3Å; G453-E458 WeakPolarHBondContact CA-OE2 3.45Å
454G85.1Confident88.4Confident61 Ų6129.9 Ų29.963%0.62918%0.18SC*.THydrogen-bonded Turntrans70.125.4-174.900000113.5Q87 E458Q87-G454 PolarHBondContact NE2-O 3.26Å; G454-E458 PolarHBondContact N-OE2 2.99Å
455S88.3Confident88.8Confident6 Ų628.2 Ų28.24%0.04217%0.165CC..SBendtrans-108165-174.778.20000114.1Y452 G453 E457 E458 Q459Y452-S455 WeakPolarHBondContact CB-OG 3.43Å; Y452-S455 WeakPolarHBondContact O-CB 3.32Å; Y452-S455 PolarHBondContact O-N 3.34Å; Y452-S455 PolarHBondContact O-OG 3.31Å; G453-S455 VanDerWaalsContact C-N 3.3Å; S455-E457 PolarHBondContact O-N 3.37Å; S455-E457 WeakPolarHBondContact OG-CB 3.37Å; S455-E457 PolarHBondContact OG-N 2.71Å; S455-E457 VanDerWaalsContact OG-N 3.17Å; S455-E458 PolarHBondContact O-N 3.14Å; S455-E458 PolarHBondContact OG-N 3.49Å; S455-Q459 PolarHBondContact O-N 3.11Å
456T84.9Confident88.7Confident17 Ų1730.1 Ų30.110%0.10418%0.179CC..Hα-helixtrans-71.1-14.8170.150.70000113.5Q87 L91 L119 L156 R460Q87-T456 HydrophobicContact CG-CG2 4.06Å; Q87-T456 VanDerWaalsContact OE1-N 3.07Å; Q87-T456 PolarHBondContact OE1-OG1 3.28Å; L91-T456 HydrophobicContact CD1-CG2 4.07Å; L91-T456 HydrophobicContact CD2-CG2 4.14Å; L119-T456 HydrophobicContact CD1-CG2 4.28Å; L119-T456 HydrophobicContact CD2-CG2 4.24Å; L156-T456 HydrophobicContact CD1-CG2 4.19Å; L156-T456 HydrophobicContact CD2-CG2 3.99Å; L156-T456 HydrophobicContact CG-CG2 4.36Å; T456-R460 WeakPolarHBondContact O-CB 3.49Å; T456-R460 PolarHBondContact O-N 2.97Å; T456-R460 VanDerWaalsContact O-N 3.16Å
457E86.5Confident88.5Confident11 Ų1132.7 Ų32.75%0.05119%0.192CC..Hα-helixtrans-72-49.1171.9-170.1-172.7142.500110.6K240 S455 R460 Y461K240-E457 IonicContact NZ-OE1 2.81Å; K240-E457 PolarHBondContact NZ-OE1 2.72Å; K240-E457 IonicContact NZ-OE2 3.66Å; K240-E457 PolarHBondContact NZ-OE2 2.98Å; S455-E457 PolarHBondContact O-N 3.37Å; S455-E457 WeakPolarHBondContact OG-CB 3.37Å; S455-E457 PolarHBondContact OG-N 2.71Å; S455-E457 VanDerWaalsContact OG-N 3.17Å; E457-R460 PolarHBondContact O-N 3.45Å; E457-Y461 PolarHBondContact O-N 2.87Å; E457-Y461 VanDerWaalsContact O-N 3.11Å
458E88.5Confident88.3Confident42 Ų4234.5 Ų34.520%0.19620%0.2CC..Hα-helixtrans-61.1-50.7174.9179.8176.9-137.400111.3H76 I451 G453 G454 S455 R460 Y461 L462H76-E458 IonicContact CE1-OE1 2.69Å; H76-E458 IonicContact ND1-OE1 3.44Å; I451-E458 HydrophobicContact CG2-CB 3.79Å; I451-E458 HydrophobicContact CG2-CG 4.05Å; G453-E458 WeakPolarHBondContact CA-OE2 3.45Å; G454-E458 PolarHBondContact N-OE2 2.99Å; S455-E458 PolarHBondContact O-N 3.14Å; S455-E458 PolarHBondContact OG-N 3.49Å; E458-R460 VanDerWaalsContact C-N 3.27Å; E458-R460 PolarHBondContact O-N 2.75Å; E458-Y461 WeakPolarHBondContact O-CB 3.49Å; E458-Y461 PolarHBondContact O-N 3.33Å; E458-L462 HydrophobicContact CG-CD1 3.91Å; E458-L462 HydrophobicContact CG-CG 4.42Å; E458-L462 WeakPolarHBondContact O-CG 3.47Å; E458-L462 PolarHBondContact O-N 2.82Å
459Q88.4Confident88.1Confident69 Ų6940.2 Ų40.232%0.32223%0.225SC..Hα-helixtrans-59.5-37178.1-176.265.2-1.100112L119 S455 T463L119-Q459 HydrophobicContact CD1-CG 4.25Å; S455-Q459 PolarHBondContact O-N 3.11Å; Q459-T463 HydrophobicContact CG-CG2 4.26Å; Q459-T463 VanDerWaalsContact O-CB 3.31Å; Q459-T463 WeakPolarHBondContact O-CB 3.14Å; Q459-T463 VanDerWaalsContact O-CG2 3.24Å; Q459-T463 WeakPolarHBondContact O-CG2 3.37Å; Q459-T463 PolarHBondContact O-N 3.29Å; Q459-T463 PolarHBondContact O-OG1 3.28Å
460R86.8Confident88Confident44 Ų4445 Ų4517%0.16625%0.246CC..Hα-helixtrans-66.8-35.1175.6-178.5-174.565.1-178.7-3.9112.4T456 E457 E458 T463 A464T456-R460 WeakPolarHBondContact O-CB 3.49Å; T456-R460 PolarHBondContact O-N 2.97Å; T456-R460 VanDerWaalsContact O-N 3.16Å; E457-R460 PolarHBondContact O-N 3.45Å; E458-R460 VanDerWaalsContact C-N 3.27Å; E458-R460 PolarHBondContact O-N 2.75Å; R460-T463 WeakPolarHBondContact CA-OG1 3.22Å; R460-T463 PolarHBondContact O-OG1 2.51Å; R460-A464 WeakPolarHBondContact O-CB 3.42Å; R460-A464 PolarHBondContact O-N 3.45Å
461Y87.9Confident87.9Confident43 Ų4345.1 Ų45.117%0.16925%0.248CC..Hα-helixtrans-71.8-47.8176.7-175.9-99.9000111.5A425 L427 E457 E458 A464 L465A425-Y461 HydrophobicContact CB-CD2 4.11Å; A425-Y461 HydrophobicContact CB-CE2 4.05Å; L427-Y461 HydrophobicContact CD2-CD2 4.04Å; L427-Y461 HydrophobicContact CD2-CE1 4.36Å; L427-Y461 HydrophobicContact CD2-CE2 3.33Å; L427-Y461 HydrophobicContact CG-CD2 4.06Å; L427-Y461 HydrophobicContact CG-CE2 3.7Å; E457-Y461 PolarHBondContact O-N 2.87Å; E457-Y461 VanDerWaalsContact O-N 3.11Å; E458-Y461 WeakPolarHBondContact O-CB 3.49Å; E458-Y461 PolarHBondContact O-N 3.33Å; Y461-A464 PolarHBondContact O-N 3.49Å; Y461-L465 HydrophobicContact CD1-CD1 3.96Å; Y461-L465 HydrophobicContact CE1-CD1 3.63Å; Y461-L465 PolarHBondContact O-N 3.21Å; Y461-L465 VanDerWaalsContact O-N 3.11Å
462L89Confident88Confident89 Ų8945.9 Ų45.947%0.46625%0.25SS..Hα-helixtrans-66.4-40.5179.2-65.2176.4000112.8E458 L465 S466E458-L462 HydrophobicContact CG-CD1 3.91Å; E458-L462 HydrophobicContact CG-CG 4.42Å; E458-L462 WeakPolarHBondContact O-CG 3.47Å; E458-L462 PolarHBondContact O-N 2.82Å; L462-L465 PolarHBondContact O-N 3.42Å; L462-S466 WeakPolarHBondContact O-CB 3.1Å; L462-S466 PolarHBondContact O-N 2.94Å
463T86.7Confident88.1Confident16 Ų1649.1 Ų49.110%0.09827%0.265CS..Hα-helixtrans-64-44.3174500000111.2Q459 R460 L465 S466 H467Q459-T463 HydrophobicContact CG-CG2 4.26Å; Q459-T463 VanDerWaalsContact O-CB 3.31Å; Q459-T463 WeakPolarHBondContact O-CB 3.14Å; Q459-T463 VanDerWaalsContact O-CG2 3.24Å; Q459-T463 WeakPolarHBondContact O-CG2 3.37Å; Q459-T463 PolarHBondContact O-N 3.29Å; Q459-T463 PolarHBondContact O-OG1 3.28Å; R460-T463 WeakPolarHBondContact CA-OG1 3.22Å; R460-T463 PolarHBondContact O-OG1 2.51Å; T463-L465 PolarHBondContact O-N 3.3Å; T463-S466 WeakPolarHBondContact O-CB 3.44Å; T463-S466 PolarHBondContact O-N 2.86Å; T463-S466 VanDerWaalsContact O-N 3.12Å; T463-H467 PolarHBondContact O-CD2 3.2Å; T463-H467 VanDerWaalsContact O-CD2 3.24Å; T463-H467 PolarHBondContact O-N 2.96Å
464A86.3Confident88.2Confident42 Ų4252.3 Ų52.335%0.34728%0.276SS..Hα-helixtrans-58.3-44.1176.900000112.7L427 R460 Y461 E468L427-A464 HydrophobicContact CD1-CB 3.71Å; R460-A464 WeakPolarHBondContact O-CB 3.42Å; R460-A464 PolarHBondContact O-N 3.45Å; Y461-A464 PolarHBondContact O-N 3.49Å; A464-E468 PolarHBondContact O-N 3.08Å
465L88.4Confident88.5Confident62 Ų6249.8 Ų49.833%0.32525%0.248SC..Hα-helixtrans-59.6-46.3172-80.8166.8000112.6L427 Y461 L462 T463 E468 K469L427-L465 HydrophobicContact CD1-CD2 4.36Å; L427-L465 HydrophobicContact CD1-CG 4.11Å; L427-L465 HydrophobicContact CD2-CD1 4.05Å; L427-L465 HydrophobicContact CD2-CD2 3.52Å; L427-L465 HydrophobicContact CD2-CG 3.6Å; Y461-L465 HydrophobicContact CD1-CD1 3.96Å; Y461-L465 HydrophobicContact CE1-CD1 3.63Å; Y461-L465 PolarHBondContact O-N 3.21Å; Y461-L465 VanDerWaalsContact O-N 3.11Å; L462-L465 PolarHBondContact O-N 3.42Å; T463-L465 PolarHBondContact O-N 3.3Å; L465-E468 PolarHBondContact O-N 3.18Å; L465-K469 WeakPolarHBondContact O-CB 3.39Å; L465-K469 PolarHBondContact O-N 3.44Å
466S88.1Confident88.6Confident49 Ų4952.9 Ų52.934%0.34326%0.264SS..Hα-helixtrans-62.6-44.7-179.8-170.80000111.9L462 T463 K470L462-S466 WeakPolarHBondContact O-CB 3.1Å; L462-S466 PolarHBondContact O-N 2.94Å; T463-S466 WeakPolarHBondContact O-CB 3.44Å; T463-S466 PolarHBondContact O-N 2.86Å; T463-S466 VanDerWaalsContact O-N 3.12Å; S466-K470 WeakPolarHBondContact O-CB 3.27Å; S466-K470 WeakPolarHBondContact O-CD 3.23Å; S466-K470 WeakPolarHBondContact O-CG 3.47Å; S466-K470 PolarHBondContact O-N 3.01Å; S466-K470 WeakPolarHBondContact OG-CE 3.31Å
467H86.2Confident88.9Confident80 Ų8060 Ų6037%0.3729%0.288SS..Hα-helixtrans-65.3-41.1176.2-83.6-97.8000112.6T463 A471T463-H467 PolarHBondContact O-CD2 3.2Å; T463-H467 VanDerWaalsContact O-CD2 3.24Å; T463-H467 PolarHBondContact O-N 2.96Å; H467-A471 VanDerWaalsContact O-CB 3.28Å; H467-A471 WeakPolarHBondContact O-CB 3.44Å; H467-A471 PolarHBondContact O-N 3.22Å
468E88.5Confident88.9Confident40 Ų4061.4 Ų61.419%0.18730%0.295CS..Hα-helixtrans-67.7-41.4177.7-165.9-169.7153.800112.2R431 A464 L465 A471 F472R431-E468 IonicContact CZ-OE1 2.72Å; R431-E468 IonicContact CZ-OE2 3.13Å; R431-E468 VanDerWaalsContact CZ-OE2 3.32Å; R431-E468 VanDerWaalsContact NH1-CD 3.32Å; R431-E468 IonicContact NH1-OE1 3.32Å; R431-E468 PolarHBondContact NH1-OE1 3.18Å; R431-E468 IonicContact NH1-OE2 2.73Å; R431-E468 PolarHBondContact NH1-OE2 2.85Å; R431-E468 VanDerWaalsContact NH1-OE2 3.11Å; R431-E468 VanDerWaalsContact NH2-CD 3.33Å; R431-E468 IonicContact NH2-OE1 3.21Å; R431-E468 PolarHBondContact NH2-OE1 3.47Å; R431-E468 IonicContact NH2-OE2 3.92Å; R431-E468 PolarHBondContact NH2-OE2 3.01Å; A464-E468 PolarHBondContact O-N 3.08Å; L465-E468 PolarHBondContact O-N 3.18Å; E468-A471 PolarHBondContact O-N 2.97Å; E468-F472 HydrophobicContact CG-CD2 4.08Å; E468-F472 HydrophobicContact CG-CE2 4.02Å; E468-F472 WeakPolarHBondContact O-CD2 3.42Å; E468-F472 PolarHBondContact O-N 2.99Å
469K90.4Very high88.9Confident122 Ų12264 Ų6453%0.5331%0.306SS..Hα-helixtrans-59.9-51.4174178.4176.9170.3178.80111.1L465 A471 F472 E473L465-K469 WeakPolarHBondContact O-CB 3.39Å; L465-K469 PolarHBondContact O-N 3.44Å; K469-A471 VanDerWaalsContact C-N 3.29Å; K469-A471 PolarHBondContact O-N 3.37Å; K469-F472 PolarHBondContact O-N 3.17Å; K469-E473 WeakPolarHBondContact CE-OE1 3.48Å; K469-E473 WeakPolarHBondContact CG-OE1 3.36Å; K469-E473 IonicContact NZ-OE1 3.29Å; K469-E473 WeakPolarHBondContact O-CG 3.4Å; K469-E473 PolarHBondContact O-N 3.35Å
470K89.8Confident88.9Confident108 Ų10864.9 Ų64.947%0.4733%0.325SS..Hα-helixtrans-56.6-42.5176-72.1168-175.3177.40111.5S466 E473 L474S466-K470 WeakPolarHBondContact O-CB 3.27Å; S466-K470 WeakPolarHBondContact O-CD 3.23Å; S466-K470 WeakPolarHBondContact O-CG 3.47Å; S466-K470 PolarHBondContact O-N 3.01Å; S466-K470 WeakPolarHBondContact OG-CE 3.31Å; K470-E473 PolarHBondContact O-N 3.13Å; K470-L474 VanDerWaalsContact O-CG 3.32Å; K470-L474 WeakPolarHBondContact O-CG 3.41Å; K470-L474 PolarHBondContact O-N 3.46Å
471A90Very high88.9Confident5 Ų568.1 Ų68.14%0.04135%0.35CS..Hα-helixtrans-60.2-50.5177.300000111.8T30 H467 E468 K469 E473 L474 L475T30-A471 HydrophobicContact CG2-CB 4.02Å; H467-A471 VanDerWaalsContact O-CB 3.28Å; H467-A471 WeakPolarHBondContact O-CB 3.44Å; H467-A471 PolarHBondContact O-N 3.22Å; E468-A471 PolarHBondContact O-N 2.97Å; K469-A471 VanDerWaalsContact C-N 3.29Å; K469-A471 PolarHBondContact O-N 3.37Å; A471-E473 VanDerWaalsContact C-N 3.34Å; A471-E473 PolarHBondContact O-N 2.86Å; A471-L474 PolarHBondContact O-N 2.9Å; A471-L475 VanDerWaalsContact O-CG 3.25Å; A471-L475 WeakPolarHBondContact O-CG 3.15Å; A471-L475 PolarHBondContact O-N 3.4Å
472F91.9Very high88.7Confident32 Ų3267.4 Ų67.414%0.1435%0.348CS..Hα-helixtrans-63.2-36.6176.8-83.8-67.2000113.3A29 P55 F57 E468 K469 L475 I476A29-F472 HydrophobicContact CB-CD1 4.41Å; A29-F472 HydrophobicContact CB-CD2 4.17Å; A29-F472 HydrophobicContact CB-CE1 4Å; A29-F472 HydrophobicContact CB-CE2 3.73Å; A29-F472 HydrophobicContact CB-CG 4.5Å; A29-F472 HydrophobicContact CB-CZ 3.64Å; P55-F472 HydrophobicContact CB-CB 4.17Å; P55-F472 HydrophobicContact CB-CD1 3.9Å; P55-F472 HydrophobicContact CB-CD2 4.27Å; P55-F472 HydrophobicContact CB-CE1 4.33Å; P55-F472 HydrophobicContact CB-CG 3.87Å; F57-F472 HydrophobicContact CE1-CB 3.89Å; F57-F472 HydrophobicContact CZ-CB 4.03Å; E468-F472 HydrophobicContact CG-CD2 4.08Å; E468-F472 HydrophobicContact CG-CE2 4.02Å; E468-F472 WeakPolarHBondContact O-CD2 3.42Å; E468-F472 PolarHBondContact O-N 2.99Å; K469-F472 PolarHBondContact O-N 3.17Å; F472-L475 HydrophobicContact CD1-CD1 4.38Å; F472-L475 PolarHBondContact O-N 3.13Å; F472-I476 WeakPolarHBondContact O-CB 3.35Å; F472-I476 WeakPolarHBondContact O-CD1 3.31Å; F472-I476 WeakPolarHBondContact O-CG1 3.41Å; F472-I476 PolarHBondContact O-N 3.47Å
473E91.2Very high88.2Confident68 Ų6868.9 Ų68.932%0.31836%0.361SS..Hα-helixtrans-63.6-40.5174.2-72.9176.4-168.800112.5F57 K469 K470 A471 I476 R477F57-E473 HydrophobicContact CZ-CG 4.47Å; K469-E473 WeakPolarHBondContact CE-OE1 3.48Å; K469-E473 WeakPolarHBondContact CG-OE1 3.36Å; K469-E473 IonicContact NZ-OE1 3.29Å; K469-E473 WeakPolarHBondContact O-CG 3.4Å; K469-E473 PolarHBondContact O-N 3.35Å; K470-E473 PolarHBondContact O-N 3.13Å; A471-E473 VanDerWaalsContact C-N 3.34Å; A471-E473 PolarHBondContact O-N 2.86Å; E473-I476 PolarHBondContact O-N 3.35Å; E473-R477 WeakPolarHBondContact O-CG 3.22Å; E473-R477 PolarHBondContact O-N 3.35Å
474L89.3Confident87.8Confident92 Ų9270.7 Ų70.748%0.48237%0.369SS..Hα-helixtrans-65.4-45.9173.7-70.6169.7000111.7K470 A471 I476 R477 E478K470-L474 VanDerWaalsContact O-CG 3.32Å; K470-L474 WeakPolarHBondContact O-CG 3.41Å; K470-L474 PolarHBondContact O-N 3.46Å; A471-L474 PolarHBondContact O-N 2.9Å; L474-I476 VanDerWaalsContact C-N 3.28Å; L474-I476 PolarHBondContact O-N 2.93Å; L474-R477 WeakPolarHBondContact O-CB 3.26Å; L474-R477 PolarHBondContact O-N 2.88Å; L474-R477 VanDerWaalsContact O-N 3.08Å; L474-E478 PolarHBondContact O-N 3.37Å
475L90.7Very high87.3Confident8 Ų872 Ų724%0.04237%0.374CS..Hα-helixtrans-61.1-35.2177.6-67.7172.9000112.5A29 F32 V39 L53 A471 F472 K479A29-L475 HydrophobicContact CB-CD1 4.01Å; F32-L475 HydrophobicContact CB-CD2 3.88Å; V39-L475 HydrophobicContact CG2-CD2 3.29Å; L53-L475 HydrophobicContact CD1-CB 3.94Å; L53-L475 WeakPolarHBondContact CD1-O 3.49Å; L53-L475 HydrophobicContact CD2-CB 4.32Å; A471-L475 VanDerWaalsContact O-CG 3.25Å; A471-L475 WeakPolarHBondContact O-CG 3.15Å; A471-L475 PolarHBondContact O-N 3.4Å; F472-L475 HydrophobicContact CD1-CD1 4.38Å; F472-L475 PolarHBondContact O-N 3.13Å; L475-K479 WeakPolarHBondContact O-CB 3.39Å; L475-K479 PolarHBondContact O-N 3.35Å
476I91.3Very high86.4Confident72 Ų7277 Ų7737%0.36940%0.396SS..Hα-helixtrans-67.7-39.4174.4-70.6163000111.1L53 P55 F57 F472 E473 L474 A480L53-I476 HydrophobicContact CD1-CG1 3.84Å; P55-I476 HydrophobicContact CG-CD1 4.42Å; F57-I476 HydrophobicContact CE2-CD1 4.01Å; F57-I476 HydrophobicContact CZ-CD1 3.93Å; F472-I476 WeakPolarHBondContact O-CB 3.35Å; F472-I476 WeakPolarHBondContact O-CD1 3.31Å; F472-I476 WeakPolarHBondContact O-CG1 3.41Å; F472-I476 PolarHBondContact O-N 3.47Å; E473-I476 PolarHBondContact O-N 3.35Å; L474-I476 VanDerWaalsContact C-N 3.28Å; L474-I476 PolarHBondContact O-N 2.93Å; I476-A480 PolarHBondContact O-N 3.27Å
477R89.9Confident85.4Confident165 Ų16579.1 Ų79.162%0.62340%0.4SS*.Hα-helixtrans-67.2-48.3175.8-68171-170.2-175.95.7111.7E473 L474 K479 A480 T481E473-R477 WeakPolarHBondContact O-CG 3.22Å; E473-R477 PolarHBondContact O-N 3.35Å; L474-R477 WeakPolarHBondContact O-CB 3.26Å; L474-R477 PolarHBondContact O-N 2.88Å; L474-R477 VanDerWaalsContact O-N 3.08Å; R477-K479 VanDerWaalsContact C-N 3.32Å; R477-K479 PolarHBondContact O-N 3Å; R477-A480 WeakPolarHBondContact O-CB 3.45Å; R477-A480 PolarHBondContact O-N 3.42Å; R477-T481 PolarHBondContact O-N 3.42Å; R477-T481 PolarHBondContact O-OG1 2.85Å
478E86.9Confident84.7Confident41 Ų4176.4 Ų76.419%0.19239%0.387CS..Hα-helixtrans-60.6-41.4176-169.8-179.1175.400111V39 L474 A480 T481 M482V39-E478 WeakPolarHBondContact CB-OE1 3.5Å; V39-E478 WeakPolarHBondContact CG2-OE2 3.44Å; L474-E478 PolarHBondContact O-N 3.37Å; E478-A480 PolarHBondContact O-N 2.72Å; E478-T481 PolarHBondContact O-N 3.46Å; E478-T481 PolarHBondContact O-OG1 3.31Å; E478-M482 HydrophobicContact CG-CE 3.96Å; E478-M482 WeakPolarHBondContact O-CB 3.43Å; E478-M482 PolarHBondContact O-N 3.21Å
479K89.6Confident83.7Confident97 Ų9776.6 Ų76.642%0.42239%0.388SS..Hα-helixtrans-59.8-28.1173.4177.8174.6166.560.20113.6L51 L53 L475 R477L51-K479 HydrophobicContact CD2-CB 4.07Å; L51-K479 HydrophobicContact CD2-CD 4.3Å; L51-K479 HydrophobicContact CD2-CG 4.26Å; L51-K479 HydrophobicContact CG-CD 4.4Å; L51-K479 WeakPolarHBondContact O-CE 3.45Å; L51-K479 PolarHBondContact O-NZ 2.92Å; L53-K479 HydrophobicContact CD1-CB 4.13Å; L53-K479 HydrophobicContact CD1-CD 3.77Å; L53-K479 HydrophobicContact CG-CD 4.02Å; L475-K479 WeakPolarHBondContact O-CB 3.39Å; L475-K479 PolarHBondContact O-N 3.35Å; R477-K479 VanDerWaalsContact C-N 3.32Å; R477-K479 PolarHBondContact O-N 3Å
480A88.6Confident82.6Confident88 Ų8870.8 Ų70.873%0.72736%0.363SS*.Hα-helixtrans-84-22.8178.800000113.2I476 R477 E478I476-A480 PolarHBondContact O-N 3.27Å; R477-A480 WeakPolarHBondContact O-CB 3.45Å; R477-A480 PolarHBondContact O-N 3.42Å; E478-A480 PolarHBondContact O-N 2.72Å
481T86.8Confident81.6Confident112 Ų11270 Ų7069%0.68736%0.357SS*.Hα-helixtrans-101.2-19.7178.256.60000114R477 E478 V483R477-T481 PolarHBondContact O-N 3.42Å; R477-T481 PolarHBondContact O-OG1 2.85Å; E478-T481 PolarHBondContact O-N 3.46Å; E478-T481 PolarHBondContact O-OG1 3.31Å; T481-V483 PolarHBondContact O-N 3.39Å
482M82.2Confident80.2Confident27 Ų2775.5 Ų75.513%0.13338%0.381CS..  trans-68.8115-176-175.2-174.2-57.100112.6V39 E40 M43 E478 I484V39-M482 HydrophobicContact CB-CE 3.93Å; V39-M482 HydrophobicContact CG1-CE 3.87Å; E40-M482 HydrophobicContact CB-CE 3.85Å; E40-M482 HydrophobicContact CB-CG 4.46Å; E40-M482 HydrophobicContact CB-SD 4.1Å; E40-M482 HydrophobicContact CG-CE 4.34Å; E40-M482 HydrophobicContact CG-CG 4.04Å; E40-M482 HydrophobicContact CG-SD 3.93Å; M43-M482 HydrophobicContact SD-CE 4.41Å; M43-M482 HydrophobicContact SD-SD 3.89Å; E478-M482 HydrophobicContact CG-CE 3.96Å; E478-M482 WeakPolarHBondContact O-CB 3.43Å; E478-M482 PolarHBondContact O-N 3.21Å; M482-I484 HydrophobicContact CG-CD1 4.34Å; M482-I484 HydrophobicContact CG-CG1 3.86Å; M482-I484 HydrophobicContact SD-CD1 3.88Å; M482-I484 HydrophobicContact SD-CG1 3.94Å
483V79.1Confident78.7Confident120 Ų12081 Ų8173%0.72741%0.412SS*.  trans-81.5134.2167-177.80000109.1T481T481-V483 PolarHBondContact O-N 3.39Å
484I78Confident77.1Confident55 Ų5581 Ų8128%0.28242%0.417SS..  trans-124.7109.3-176.3-58.2-177.6000109.2M43 K49 M482M43-I484 HydrophobicContact CE-CD1 3.78Å; K49-I484 VanDerWaalsContact O-CD1 3.27Å; K49-I484 WeakPolarHBondContact O-CD1 3.38Å; M482-I484 HydrophobicContact CG-CD1 4.34Å; M482-I484 HydrophobicContact CG-CG1 3.86Å; M482-I484 HydrophobicContact SD-CD1 3.88Å; M482-I484 HydrophobicContact SD-CG1 3.94Å
485P76.4Confident75.7Confident68 Ų6877.2 Ų77.244%0.44240%0.397SS..  trans-61.6140.6176.8-24.535000112.7E487 R488P485-E487 PolarHBondContact O-N 3Å; P485-R488 VanDerWaalsContact O-CB 3.31Å; P485-R488 WeakPolarHBondContact O-CB 3.26Å; P485-R488 PolarHBondContact O-N 3.18Å
486E68.4Low74.3Confident169 Ų16983.7 Ų83.779%0.7943%0.431SS*.G310 helixtrans-66.1-22.6-178.5-61.3-156.2118.300113.4K49 R488K49-E486 WeakPolarHBondContact CE-O 3.39Å; K49-E486 PolarHBondContact NZ-O 2.56Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 3.45Å
487E67.8Low72.9Confident92 Ų9283 Ų8343%0.4343%0.428SS..G310 helixtrans-69.4-26.3178.1-60.8-170.8149.500113P485 E489 G490 T494 N495P485-E487 PolarHBondContact O-N 3Å; E487-E489 PolarHBondContact O-N 3.32Å; E487-G490 PolarHBondContact O-N 3.23Å; E487-T494 WeakPolarHBondContact OE1-CB 3.31Å; E487-T494 PolarHBondContact OE1-OG1 3.09Å; E487-N495 VanDerWaalsContact O-CG 3.31Å; E487-N495 PolarHBondContact O-ND2 3.29Å; E487-N495 PolarHBondContact O-OD1 3.06Å
488R71.3Confident71.5Confident23 Ų2376 Ų769%0.08740%0.403CS..G310 helixtrans-50.7-14.4-166-177.8173.5-68.7-177.8-3.4116.5E40 F47 P485 E486E40-R488 IonicContact OE1-CZ 3.83Å; E40-R488 IonicContact OE1-NH1 3.78Å; E40-R488 IonicContact OE1-NH2 3.91Å; E40-R488 PolarHBondContact OE1-NH2 2.9Å; F47-R488 CarbonylContact C-O 3.59Å; F47-R488 VanDerWaalsContact CA-O 3.3Å; F47-R488 WeakPolarHBondContact CA-O 3.23Å; P485-R488 VanDerWaalsContact O-CB 3.31Å; P485-R488 WeakPolarHBondContact O-CB 3.26Å; P485-R488 PolarHBondContact O-N 3.18Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 3.45Å
489E68.6Low70.2Confident45 Ų4576.5 Ų76.521%0.2141%0.414CS..G310 helixtrans-81.2-10.7178.9-155.5175.9173.800114.1R14 K49 E487 R491R14-E489 WeakPolarHBondContact CD-O 3.27Å; R14-E489 PolarHBondContact NE-O 3.18Å; K49-E489 HydrophobicContact CD-CB 4.11Å; K49-E489 WeakPolarHBondContact CD-OE2 3.42Å; K49-E489 WeakPolarHBondContact CE-OE2 3.14Å; K49-E489 HydrophobicContact CG-CB 4.28Å; K49-E489 IonicContact NZ-OE2 3.47Å; K49-E489 PolarHBondContact NZ-OE2 3.05Å; E487-E489 PolarHBondContact O-N 3.32Å; E489-R491 HydrophobicContact CB-CG 4.48Å; E489-R491 HydrophobicContact CG-CG 4.15Å; E489-R491 PolarHBondContact O-N 3.47Å; E489-R491 VanDerWaalsContact O-N 3.09Å; E489-R491 IonicContact OE1-CZ 3.52Å; E489-R491 IonicContact OE1-NE 2.72Å; E489-R491 PolarHBondContact OE1-NE 3.21Å; E489-R491 IonicContact OE1-NH2 2.7Å; E489-R491 PolarHBondContact OE1-NH2 3.25Å; E489-R491 IonicContact OE2-NE 3.11Å
490G66.6Low69.1Low0 Ų075.1 Ų75.10%041%0.406CS..  trans69.85.1172.500000116.2R14 K18 E487 L498R14-G490 WeakPolarHBondContact CD-O 3.48Å; R14-G490 WeakPolarHBondContact CG-O 3.21Å; K18-G490 PolarHBondContact NZ-O 2.99Å; E487-G490 PolarHBondContact O-N 3.23Å; G490-L498 WeakPolarHBondContact O-CD1 3.48Å
491R68.9Low67.6Low92 Ų9273.8 Ų73.835%0.34739%0.391SS..  trans-68.5-39.1-179.7-61.4-170-169.9-128.39.3111.8K18 T19 E489K18-R491 VanDerWaalsContact CD-O 3.23Å; K18-R491 WeakPolarHBondContact CD-O 3.48Å; K18-R491 WeakPolarHBondContact CE-O 3.49Å; T19-R491 PolarHBondContact O-NH1 2.84Å; E489-R491 HydrophobicContact CB-CG 4.48Å; E489-R491 HydrophobicContact CG-CG 4.15Å; E489-R491 PolarHBondContact O-N 3.47Å; E489-R491 VanDerWaalsContact O-N 3.09Å; E489-R491 IonicContact OE1-CZ 3.52Å; E489-R491 IonicContact OE1-NE 2.72Å; E489-R491 PolarHBondContact OE1-NE 3.21Å; E489-R491 IonicContact OE1-NH2 2.7Å; E489-R491 PolarHBondContact OE1-NH2 3.25Å; E489-R491 IonicContact OE2-NE 3.11Å
492E61.1Low65.8Low119 Ų11976.2 Ų76.256%0.55640%0.399SS*.SBendtrans-87153.4176.5-71.9153.1-129.400111.3T494 N495E492-T494 PolarHBondContact O-N 3.21Å; E492-N495 PolarHBondContact O-ND2 3.44Å
493N60Low64.1Low148 Ų14880.5 Ų80.579%0.79142%0.419SS*.THydrogen-bonded Turntrans-79.72.8-176.6-66.3-19.1000113.6K18 N495K18-N493 WeakPolarHBondContact CE-OD1 3.2Å; N493-N495 VanDerWaalsContact C-N 3.25Å; N493-N495 PolarHBondContact O-N 2.87Å
494T57.2Low62.6Low67 Ų6778.1 Ų78.141%0.41141%0.406SS..THydrogen-bonded Turntrans-68.7-19.7174.349.50000113.8E487 E492 L496E487-T494 WeakPolarHBondContact OE1-CB 3.31Å; E487-T494 PolarHBondContact OE1-OG1 3.09Å; E492-T494 PolarHBondContact O-N 3.21Å; T494-L496 PolarHBondContact O-N 3.45Å
495N60.6Low61.1Low14 Ų1476.4 Ų76.48%0.07540%0.4CS..  trans-69.3105-171.8-84.5-111000113.3E487 E492 N493 D497 L498 A499E487-N495 VanDerWaalsContact O-CG 3.31Å; E487-N495 PolarHBondContact O-ND2 3.29Å; E487-N495 PolarHBondContact O-OD1 3.06Å; E492-N495 PolarHBondContact O-ND2 3.44Å; N493-N495 VanDerWaalsContact C-N 3.25Å; N493-N495 PolarHBondContact O-N 2.87Å; N495-D497 PolarHBondContact O-N 3.29Å; N495-D497 VanDerWaalsContact O-N 3.1Å; N495-L498 HydrophobicContact CB-CB 4.26Å; N495-L498 HydrophobicContact CB-CD1 4Å; N495-L498 HydrophobicContact CB-CG 4Å; N495-L498 PolarHBondContact O-N 2.97Å; N495-A499 PolarHBondContact O-N 3.43Å
496L61.4Low59.7Low143 Ų14375.6 Ų75.675%0.74939%0.392SS*.THydrogen-bonded Turntrans-57-21.7173.5-61.6171.4000114.2T494 R543T494-L496 PolarHBondContact O-N 3.45Å; L496-R543 PolarHBondContact O-NH2 3.07Å
497D60.7Low58.7Low58 Ų5869.9 Ų69.931%0.3137%0.371SS..THydrogen-bonded Turntrans-82-10.7173.8-80.8-34000114.9N495 R543N495-D497 PolarHBondContact O-N 3.29Å; N495-D497 VanDerWaalsContact O-N 3.1Å; D497-R543 IonicContact OD1-CZ 2.87Å; D497-R543 IonicContact OD1-NH1 2.68Å; D497-R543 PolarHBondContact OD1-NH1 3.06Å; D497-R543 IonicContact OD1-NH2 3.17Å; D497-R543 PolarHBondContact OD1-NH2 3.2Å
498L60.6Low57.5Low18 Ų1869 Ų699%0.09438%0.379CS..THydrogen-bonded Turntrans-104.5-16.2171.6-59.6-179.7000112.8R11 R14 Q15 F47 G490 N495 R500R11-L498 HydrophobicContact CG-CD2 4.11Å; R14-L498 HydrophobicContact CB-CD1 4.43Å; R14-L498 HydrophobicContact CB-CD2 4.26Å; R14-L498 HydrophobicContact CG-CD1 3.72Å; R14-L498 HydrophobicContact CG-CD2 4.32Å; Q15-L498 HydrophobicContact CG-CB 4.34Å; Q15-L498 HydrophobicContact CG-CD2 4.23Å; Q15-L498 PolarHBondContact NE2-O 2.8Å; F47-L498 HydrophobicContact CE1-CD2 3.62Å; F47-L498 HydrophobicContact CE1-CG 4.11Å; F47-L498 HydrophobicContact CE2-CD2 4.43Å; F47-L498 HydrophobicContact CZ-CD2 3.52Å; F47-L498 HydrophobicContact CZ-CG 4.47Å; G490-L498 WeakPolarHBondContact O-CD1 3.48Å; N495-L498 HydrophobicContact CB-CB 4.26Å; N495-L498 HydrophobicContact CB-CD1 4Å; N495-L498 HydrophobicContact CB-CG 4Å; N495-L498 PolarHBondContact O-N 2.97Å; L498-R500 PolarHBondContact O-N 2.96Å
499A61.2Low56.1Low51 Ų5174.4 Ų74.442%0.42142%0.415SS..PPolyproline II helixtrans-60.6120.5174.800000110.7N495N495-A499 PolarHBondContact O-N 3.43Å
500R65.9Low54.6Low69 Ų6978.7 Ų78.726%0.2644%0.439SS..PPolyproline II helixtrans-71151.9155.7-79.5-176.9162.4-1721108.4L498 L502 H542 R543 D547L498-R500 PolarHBondContact O-N 2.96Å; R500-L502 PolarHBondContact O-N 3.14Å; R500-L502 VanDerWaalsContact O-N 3.17Å; R500-H542 PolarHBondContact NE-O 3.37Å; R500-H542 PolarHBondContact NH2-CD2 2.73Å; R500-H542 VanDerWaalsContact NH2-CD2 3.27Å; R500-H542 PolarHBondContact NH2-CE1 2.71Å; R500-H542 PolarHBondContact NH2-NE2 3.44Å; R500-R543 WeakPolarHBondContact CA-O 3.34Å; R500-D547 IonicContact CZ-OD1 3.53Å; R500-D547 IonicContact NH1-OD1 3.56Å; R500-D547 PolarHBondContact NH1-OD1 2.94Å; R500-D547 IonicContact NH2-OD1 3.67Å; R500-D547 PolarHBondContact NH2-OD1 3.44Å
501S57.1Low53.2Low59 Ų5984.3 Ų84.341%0.41348%0.478SS..PPolyproline II helixtrans-60118156.4-168.30000107.6R543S501-R543 PolarHBondContact N-O 2.88Å; S501-R543 VanDerWaalsContact N-O 3.11Å
502L49.4Very low52.3Low163 Ų16390.1 Ų90.185%0.85350%0.5SS*.  trans-87.7-5.4-172.6-81.7168.1000113.8R500 P504R500-L502 PolarHBondContact O-N 3.14Å; R500-L502 VanDerWaalsContact O-N 3.17Å; L502-P504 VanDerWaalsContact O-CD 3.22Å; L502-P504 WeakPolarHBondContact O-CD 3.24Å
503E45.8Very low51.5Low118 Ų11896.8 Ų96.855%0.55152%0.52SS*.SBendtrans-65.8112.9162.3-71.7-64.3143.200109.3S507E503-S507 PolarHBondContact OE2-OG 3.29Å
504P48.3Very low50.6Low70 Ų7094 Ų9446%0.45552%0.518SS..  trans-62.3144.8171.5-1832.5000109.8L502 N506 S507L502-P504 VanDerWaalsContact O-CD 3.22Å; L502-P504 WeakPolarHBondContact O-CD 3.24Å; P504-N506 PolarHBondContact O-N 3.44Å; P504-S507 PolarHBondContact O-N 3.41Å; P504-S507 PolarHBondContact O-OG 2.93Å
505A45.8Very low49.9Very low18 Ų1895.3 Ų95.315%0.14955%0.545CS..THydrogen-bonded Turntrans-58.1-10.1-179.100000115.2L546 Q656 L660A505-L546 HydrophobicContact CB-CD2 4.16Å; A505-Q656 HydrophobicContact CB-CG 3.87Å; A505-L660 VanDerWaalsContact O-CD1 3.24Å; A505-L660 WeakPolarHBondContact O-CD1 3.41Å
506N46.8Very low49Very low52 Ų5297.9 Ų97.928%0.27857%0.574SS.*THydrogen-bonded Turntrans-108.66.3177.9-66.1-47.4000114.5P504 A508 S524 G661P504-N506 PolarHBondContact O-N 3.44Å; N506-A508 PolarHBondContact O-N 2.72Å; N506-S524 PolarHBondContact ND2-OG 2.62Å; N506-S524 VanDerWaalsContact ND2-OG 3.16Å; N506-G661 PolarHBondContact OD1-N 2.69Å
507S47.3Very low47.9Very low49 Ų49100.8 Ų100.834%0.34358%0.584SS.*  trans-75.957.1176.754.40000113.6E503 P504 T509E503-S507 PolarHBondContact OE2-OG 3.29Å; P504-S507 PolarHBondContact O-N 3.41Å; P504-S507 PolarHBondContact O-OG 2.93Å; S507-T509 PolarHBondContact O-N 2.98Å
508A43.3Very low46.9Very low72 Ų72106.6 Ų106.660%0.59561%0.609SS**  trans-56129.2166.700000109.8N506 N510N506-A508 PolarHBondContact O-N 2.72Å; A508-N510 PolarHBondContact O-N 2.72Å
509T41.5Very low46.1Very low138 Ų138111.5 Ų111.585%0.84764%0.643SS**  trans-73.864.9-171.342.60000113S507 S511S507-T509 PolarHBondContact O-N 2.98Å; T509-S511 PolarHBondContact O-N 3Å
510N37.2Very low45.1Very low135 Ų135112.8 Ų112.872%0.72266%0.66SS**  trans-7495.6-175.7-162.3-6.3000110.7A508 R512A508-N510 PolarHBondContact O-N 2.72Å; N510-R512 PolarHBondContact O-N 3.02Å
511S37.9Very low44.5Very low118 Ų118112.9 Ų112.983%0.82568%0.676SS**  trans-71.117.4-169.656.70000115.7T509T509-S511 PolarHBondContact O-N 3Å
512R48.4Very low44.6Very low213 Ų213113.3 Ų113.380%0.80468%0.683SS**  trans-116.785-177.9-62.3-172.9-176.2-162.41.5111.2N510 A514N510-R512 PolarHBondContact O-N 3.02Å; R512-A514 VanDerWaalsContact C-N 3.29Å; R512-A514 PolarHBondContact O-N 3.41Å
513R45Very low45.5Very low259 Ų259108.6 Ų108.698%0.97766%0.663SS**  trans-68.783.5167.4-77.5-175.5171.9-180-2.1110.9
514A40.3Very low47.3Very low89 Ų89103.2 Ų103.274%0.73664%0.638SS**  trans-95.1149.1155.500000109R512 G516R512-A514 VanDerWaalsContact C-N 3.29Å; R512-A514 PolarHBondContact O-N 3.41Å; A514-G516 PolarHBondContact O-N 3.06Å
515G43.3Very low49.2Very low95 Ų95105.6 Ų105.698%0.97964%0.638SS**SBendtrans-71.7113.5-168.200000114.2
516G41.5Very low51.4Low68 Ų68104.7 Ų104.770%0.70163%0.631SS**  trans-175.3118168.500000110.2A514 E518A514-G516 PolarHBondContact O-N 3.06Å; G516-E518 PolarHBondContact O-N 3.17Å
517Q38.9Very low53.6Low204 Ų204102.3 Ų102.395%0.95362%0.618SS**  trans-85.193.6168.4-77.6-176.4-41.800108.4
518E40Very low55.8Low180 Ų180100 Ų10084%0.84160%0.601SS**PPolyproline II helixtrans-64.3143158.5-66.4-157.7153.800109.1G516 G520G516-E518 PolarHBondContact O-N 3.17Å; E518-G520 PolarHBondContact O-N 3.07Å
519P42.2Very low58.2Low122 Ų12296.6 Ų96.679%0.79257%0.573SS**PPolyproline II helixtrans-59.6136175.926.2-34000109.4A521P519-A521 PolarHBondContact O-N 3.13Å; P519-A521 VanDerWaalsContact O-N 3.13Å
520G41Very low60.4Low77 Ų7795 Ų9579%0.79456%0.557SS**PPolyproline II helixtrans-50.7120.4-172.200000112E518 A522E518-G520 PolarHBondContact O-N 3.07Å; G520-A522 PolarHBondContact O-N 3.34Å
521A53.3Low62.8Low72 Ų7295 Ų9560%0.59555%0.547SS*.PPolyproline II helixtrans-52.1129.6-17200000111.5P519P519-A521 PolarHBondContact O-N 3.13Å; P519-A521 VanDerWaalsContact O-N 3.13Å
522A59.8Low65.1Low67 Ų6790.5 Ų90.555%0.55451%0.513SS*.PPolyproline II helixtrans-57.4142.7-178.200000111G520 S524G520-A522 PolarHBondContact O-N 3.34Å; A522-S524 PolarHBondContact O-N 3.34Å
523P67.9Low66.9Low65 Ų6582 Ų8242%0.42248%0.482SS..PPolyproline II helixtrans-63.5129.3178.227.4-34.7000110R525 D547P523-R525 WeakPolarHBondContact O-CG 3.38Å; P523-R525 PolarHBondContact O-N 2.65Å; P523-D547 VanDerWaalsContact CB-OD2 3.29Å; P523-D547 WeakPolarHBondContact CB-OD2 3.46Å; P523-D547 WeakPolarHBondContact CG-OD2 3.5Å
524S83.1Confident68.7Low5 Ų580 Ų804%0.03548%0.475CS..PPolyproline II helixtrans-68.2126.8-174.5-79.30000112.4N506 A522 L546 D547 E664N506-S524 PolarHBondContact ND2-OG 2.62Å; N506-S524 VanDerWaalsContact ND2-OG 3.16Å; A522-S524 PolarHBondContact O-N 3.34Å; S524-L546 WeakPolarHBondContact O-CA 3.38Å; S524-D547 PolarHBondContact O-N 2.77Å; S524-E664 VanDerWaalsContact CA-OE1 3.32Å; S524-E664 WeakPolarHBondContact CA-OE1 3.44Å; S524-E664 WeakPolarHBondContact CA-OE2 3.42Å; S524-E664 VanDerWaalsContact CB-OE1 3.25Å; S524-E664 WeakPolarHBondContact CB-OE1 3.16Å; S524-E664 PolarHBondContact OG-OE1 3.13Å
525R88.6Confident70.7Confident119 Ų11976.6 Ų76.645%0.44945%0.445SS..EExtended strand (participates in β ladder)trans-103.4132.5-172.4-51.2-171.2-171.3-179.55.5113.3P523 D547 E549 K659 E664 P665P523-R525 WeakPolarHBondContact O-CG 3.38Å; P523-R525 PolarHBondContact O-N 2.65Å; R525-D547 CarbonylContact C-O 3.5Å; R525-D547 VanDerWaalsContact CA-O 3.32Å; R525-D547 WeakPolarHBondContact CA-O 3.45Å; R525-D547 HydrophobicContact CG-CB 4.34Å; R525-E549 VanDerWaalsContact CD-OE2 3.23Å; R525-E549 WeakPolarHBondContact CD-OE2 3.16Å; R525-E549 IonicContact CZ-OE2 2.8Å; R525-E549 IonicContact NH1-OE1 2.76Å; R525-E549 IonicContact NH1-OE2 3.16Å; R525-E549 PolarHBondContact NH1-OE2 3.16Å; R525-K659 PolarHBondContact O-NZ 3.32Å; R525-E664 PolarHBondContact N-OE2 2.8Å; R525-P665 WeakPolarHBondContact O-CD 3.48Å; R525-P665 VanDerWaalsContact O-CG 3.29Å; R525-P665 WeakPolarHBondContact O-CG 3.47Å
526V91.6Very high72.6Confident0 Ų076.2 Ų76.20%042%0.418CS..EExtended strand (participates in β ladder)trans-109.1126.51701790000108.7V528 L546 D547 I548 E549 Y558 L560V526-V528 HydrophobicContact CG1-CG2 3.97Å; V526-L546 HydrophobicContact CG2-CD1 4.16Å; V526-D547 PolarHBondContact N-O 2.58Å; V526-I548 WeakPolarHBondContact O-CA 3.49Å; V526-E549 PolarHBondContact O-N 3.12Å; V526-Y558 HydrophobicContact CG1-CD1 4.08Å; V526-L560 HydrophobicContact CG1-CD2 4Å; V526-L560 HydrophobicContact CG2-CD2 4.2Å
527I93.3Very high74.8Confident1 Ų173 Ų731%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-78.8129.7171-53.1170000107.4E549 V551 L553 Y558 I559 P665 D666 A670I527-E549 WeakPolarHBondContact CA-O 3.42Å; I527-E549 HydrophobicContact CG1-CB 4.36Å; I527-V551 HydrophobicContact CG2-CB 3.69Å; I527-V551 HydrophobicContact CG2-CG1 4.45Å; I527-V551 HydrophobicContact CG2-CG2 3.65Å; I527-L553 HydrophobicContact CG2-CD1 4.32Å; I527-L553 HydrophobicContact CG2-CD2 4.37Å; I527-Y558 WeakPolarHBondContact O-CA 3.41Å; I527-I559 HydrophobicContact CB-CB 4.18Å; I527-I559 HydrophobicContact CB-CD1 4.46Å; I527-I559 HydrophobicContact CD1-CB 4.45Å; I527-I559 HydrophobicContact CD1-CD1 4.33Å; I527-I559 HydrophobicContact CG2-CD1 4.44Å; I527-I559 PolarHBondContact N-O 3.4Å; I527-I559 PolarHBondContact O-N 2.61Å; I527-P665 HydrophobicContact CD1-CB 3.81Å; I527-P665 HydrophobicContact CD1-CG 4.24Å; I527-P665 HydrophobicContact CG1-CB 4.24Å; I527-P665 HydrophobicContact CG1-CG 4.11Å; I527-D666 WeakPolarHBondContact CD1-O 3.38Å; I527-A670 HydrophobicContact CD1-CB 3.78Å
528V93.7Very high77.2Confident0 Ų063.4 Ų63.40%034%0.34CS..EExtended strand (participates in β ladder)trans-128.8133.4-175.1-178.50000109.7V526 M530 E532 F533 P538 I548 E549 V551 Y558V526-V528 HydrophobicContact CG1-CG2 3.97Å; V528-M530 PolarHBondContact O-N 3.29Å; V528-E532 HydrophobicContact CG1-CB 4.47Å; V528-E532 HydrophobicContact CG1-CG 4.43Å; V528-F533 HydrophobicContact CB-CE2 3.92Å; V528-F533 HydrophobicContact CB-CZ 4.22Å; V528-F533 HydrophobicContact CG1-CD2 4.12Å; V528-F533 HydrophobicContact CG1-CE2 3.73Å; V528-F533 HydrophobicContact CG1-CZ 4.24Å; V528-P538 HydrophobicContact CG1-CG 4.01Å; V528-I548 HydrophobicContact CB-CG2 4.04Å; V528-I548 HydrophobicContact CG2-CG2 3.67Å; V528-E549 PolarHBondContact N-O 3.24Å; V528-V551 PolarHBondContact O-N 3.12Å; V528-Y558 HydrophobicContact CB-CD1 4.49Å; V528-Y558 HydrophobicContact CG1-CD1 4.29Å; V528-Y558 HydrophobicContact CG1-CE1 3.96Å; V528-Y558 HydrophobicContact CG2-CD1 3.75Å; V528-Y558 HydrophobicContact CG2-CE1 3.92Å
529D93Very high79.4Confident1 Ų155.1 Ų55.11%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-59.9126.6173.5-177-5.9000111.2R531 E532 F533 V551 L553 D557D529-R531 PolarHBondContact O-N 3.09Å; D529-R531 WeakPolarHBondContact OD1-CB 3.31Å; D529-R531 WeakPolarHBondContact OD1-CG 3.33Å; D529-R531 PolarHBondContact OD1-N 3.31Å; D529-R531 IonicContact OD1-NE 3.44Å; D529-R531 IonicContact OD2-CZ 2.91Å; D529-R531 IonicContact OD2-NE 3.67Å; D529-R531 PolarHBondContact OD2-NE 2.95Å; D529-R531 IonicContact OD2-NH2 3.86Å; D529-R531 PolarHBondContact OD2-NH2 3.37Å; D529-E532 HydrophobicContact CB-CB 4.26Å; D529-E532 WeakPolarHBondContact O-CB 3.46Å; D529-E532 PolarHBondContact O-N 2.94Å; D529-F533 WeakPolarHBondContact O-CD2 3.24Å; D529-V551 CarbonylContact C-O 3.59Å; D529-V551 VanDerWaalsContact CA-O 3.26Å; D529-V551 WeakPolarHBondContact CA-O 3.25Å; D529-L553 HydrophobicContact CB-CB 4.44Å; D529-L553 HydrophobicContact CB-CD1 4.47Å; D529-D557 PolarHBondContact N-O 2.84Å
530M87.6Confident81.5Confident104 Ų10450.6 Ų50.651%0.51227%0.272SS..THydrogen-bonded Turntrans-44.2-33.6169.3-76.7-67.7-73.500114V528 P550 V551 T552V528-M530 PolarHBondContact O-N 3.29Å; M530-P550 HydrophobicContact SD-CB 3.77Å; M530-V551 PolarHBondContact N-O 3.3Å; M530-T552 HydrophobicContact CB-CG2 4.09Å; M530-T552 HydrophobicContact CG-CG2 3.91Å
531R87.4Confident83.7Confident135 Ų13546.9 Ų46.951%0.50923%0.234SC..THydrogen-bonded Turntrans-69.5-30.8177.7-60179.9-63.9-142.1-2.4112.9D529 R534 L553D529-R531 PolarHBondContact O-N 3.09Å; D529-R531 WeakPolarHBondContact OD1-CB 3.31Å; D529-R531 WeakPolarHBondContact OD1-CG 3.33Å; D529-R531 PolarHBondContact OD1-N 3.31Å; D529-R531 IonicContact OD1-NE 3.44Å; D529-R531 IonicContact OD2-CZ 2.91Å; D529-R531 IonicContact OD2-NE 3.67Å; D529-R531 PolarHBondContact OD2-NE 2.95Å; D529-R531 IonicContact OD2-NH2 3.86Å; D529-R531 PolarHBondContact OD2-NH2 3.37Å; R531-R534 WeakPolarHBondContact O-CG 3.35Å; R531-L553 PolarHBondContact NH2-O 2.68Å
532E88.2Confident85.3Confident25 Ų2544.2 Ų44.212%0.11721%0.209CC..G310 helixtrans-87.2-9.4-172.6173.457.5-175.900113.2V528 D529 R534 S535 D557 Y558 R568V528-E532 HydrophobicContact CG1-CB 4.47Å; V528-E532 HydrophobicContact CG1-CG 4.43Å; D529-E532 HydrophobicContact CB-CB 4.26Å; D529-E532 WeakPolarHBondContact O-CB 3.46Å; D529-E532 PolarHBondContact O-N 2.94Å; E532-R534 PolarHBondContact O-N 2.65Å; E532-S535 VanDerWaalsContact CD-OG 3.29Å; E532-S535 PolarHBondContact O-N 3.13Å; E532-S535 PolarHBondContact O-OG 3.25Å; E532-S535 WeakPolarHBondContact OE1-CB 3.42Å; E532-S535 PolarHBondContact OE1-OG 2.99Å; E532-D557 HydrophobicContact CB-CB 4.44Å; E532-D557 HydrophobicContact CG-CB 4.33Å; E532-Y558 HydrophobicContact CG-CE1 4.45Å; E532-Y558 HydrophobicContact CG-CE2 3.57Å; E532-Y558 VanDerWaalsContact CG-CZ 3.48Å; E532-Y558 WeakPolarHBondContact CG-OH 3.34Å; E532-Y558 PolarHBondContact OE1-OH 2.67Å; E532-R568 WeakPolarHBondContact OE1-CD 3.41Å; E532-R568 IonicContact OE1-CZ 2.77Å; E532-R568 IonicContact OE1-NE 3.56Å; E532-R568 IonicContact OE1-NH1 2.65Å; E532-R568 PolarHBondContact OE1-NH1 3.35Å; E532-R568 IonicContact OE2-NH1 2.88Å
533F86.2Confident86.3Confident35 Ų3544.9 Ų44.915%0.15420%0.197CC..G310 helixtrans-60.71.1164.5-77.2-92.9000114.3Q5 F8 V528 D529 S535 P538 I548 P550Q5-F533 WeakPolarHBondContact CG-O 3.25Å; Q5-F533 VanDerWaalsContact NE2-C 3.33Å; Q5-F533 PolarHBondContact NE2-O 3.09Å; F8-F533 HydrophobicContact CE1-CD1 4.4Å; F8-F533 HydrophobicContact CE1-CE1 4.06Å; V528-F533 HydrophobicContact CB-CE2 3.92Å; V528-F533 HydrophobicContact CB-CZ 4.22Å; V528-F533 HydrophobicContact CG1-CD2 4.12Å; V528-F533 HydrophobicContact CG1-CE2 3.73Å; V528-F533 HydrophobicContact CG1-CZ 4.24Å; D529-F533 WeakPolarHBondContact O-CD2 3.24Å; F533-S535 VanDerWaalsContact C-N 3.35Å; F533-P538 HydrophobicContact CD1-CB 4.23Å; F533-P538 HydrophobicContact CE1-CB 4.22Å; F533-I548 HydrophobicContact CE1-CG2 4.18Å; F533-I548 HydrophobicContact CZ-CG2 3.63Å; F533-P550 HydrophobicContact CE2-CB 3.75Å; F533-P550 HydrophobicContact CZ-CB 3.78Å
534R80.9Confident86.9Confident215 Ų21545.2 Ų45.281%0.81119%0.19SC*.G310 helixtrans-81.5-13.6168.3-65177.4179.2-176.11.4112.8R531 E532R531-R534 WeakPolarHBondContact O-CG 3.35Å; E532-R534 PolarHBondContact O-N 2.65Å
535S83Confident86.7Confident18 Ų1846 Ų4613%0.12620%0.198CC..SBendtrans-96.1168.6-17997.50000112.8E532 F533 L537 P538 R568E532-S535 VanDerWaalsContact CD-OG 3.29Å; E532-S535 PolarHBondContact O-N 3.13Å; E532-S535 PolarHBondContact O-OG 3.25Å; E532-S535 WeakPolarHBondContact OE1-CB 3.42Å; E532-S535 PolarHBondContact OE1-OG 2.99Å; F533-S535 VanDerWaalsContact C-N 3.35Å; S535-L537 VanDerWaalsContact C-N 3.33Å; S535-L537 PolarHBondContact OG-N 3.36Å; S535-P538 WeakPolarHBondContact OG-CD 3.25Å; S535-R568 VanDerWaalsContact CB-NH1 3.29Å; S535-R568 PolarHBondContact OG-NH1 2.99Å
536E82.9Confident86.6Confident88 Ų8840.3 Ų40.341%0.41118%0.177SC..SBendtrans-77.2-20.9-178.4-38.8-14513900112.6S3 A539 L540S3-E536 VanDerWaalsContact CB-CG 3.42Å; S3-E536 WeakPolarHBondContact CB-OE1 3.47Å; S3-E536 PolarHBondContact OG-OE1 2.95Å; E536-A539 PolarHBondContact O-N 3.22Å; E536-L540 PolarHBondContact O-N 3.17Å
537L87.9Confident86.4Confident0 Ų042.5 Ų42.50%019%0.189CC..Hα-helixtrans-68.9-42.4-165.9178.459.5000114.3S535 A539 L540 L541 Y558 P648 T651 A652 F655S535-L537 VanDerWaalsContact C-N 3.33Å; S535-L537 PolarHBondContact OG-N 3.36Å; L537-A539 VanDerWaalsContact C-N 3.27Å; L537-A539 PolarHBondContact O-N 2.83Å; L537-L540 WeakPolarHBondContact O-CB 3.37Å; L537-L540 PolarHBondContact O-N 2.71Å; L537-L541 HydrophobicContact CD1-CD1 4.39Å; L537-L541 HydrophobicContact CD1-CD2 4.37Å; L537-L541 HydrophobicContact CD1-CG 4.04Å; L537-L541 HydrophobicContact CG-CD1 4.09Å; L537-L541 HydrophobicContact CG-CG 4.26Å; L537-L541 WeakPolarHBondContact O-CG 3.32Å; L537-L541 PolarHBondContact O-N 3.36Å; L537-Y558 HydrophobicContact CD2-CE1 4.21Å; L537-Y558 HydrophobicContact CD2-CE2 4.14Å; L537-Y558 WeakPolarHBondContact CD2-OH 3.32Å; L537-Y558 HydrophobicContact CG-CE1 4.36Å; L537-P648 WeakPolarHBondContact CD1-O 3.38Å; L537-T651 HydrophobicContact CD1-CG2 3.93Å; L537-T651 HydrophobicContact CD2-CG2 3.5Å; L537-T651 HydrophobicContact CG-CG2 4.4Å; L537-A652 HydrophobicContact CD1-CB 3.96Å; L537-F655 HydrophobicContact CD2-CE2 4.19Å; L537-F655 HydrophobicContact CD2-CZ 4.39Å
538P89.6Confident86.2Confident2 Ų244 Ų441%0.01320%0.196CC..Hα-helixtrans-58.2-38.7175.7-26.437000112.6V528 F533 S535 L540 L541 H542 I548 Y558V528-P538 HydrophobicContact CG1-CG 4.01Å; F533-P538 HydrophobicContact CD1-CB 4.23Å; F533-P538 HydrophobicContact CE1-CB 4.22Å; S535-P538 WeakPolarHBondContact OG-CD 3.25Å; P538-L540 PolarHBondContact O-N 2.74Å; P538-L541 PolarHBondContact O-N 2.67Å; P538-H542 WeakPolarHBondContact O-CB 3.04Å; P538-H542 PolarHBondContact O-N 2.68Å; P538-H542 VanDerWaalsContact O-N 3.13Å; P538-I548 HydrophobicContact CB-CD1 4.06Å; P538-I548 WeakPolarHBondContact O-CD1 3.32Å; P538-Y558 HydrophobicContact CG-CE1 4.45Å
539A85.6Confident86.1Confident7 Ų746.7 Ų46.76%0.05821%0.209CC..Hα-helixtrans-68-20177.300000113.6F8 R11 E536 L537F8-A539 HydrophobicContact CB-CB 4.37Å; F8-A539 HydrophobicContact CD2-CB 3.86Å; F8-A539 HydrophobicContact CG-CB 4.3Å; R11-A539 PolarHBondContact NH1-O 3.21Å; R11-A539 VanDerWaalsContact NH1-O 3.07Å; E536-A539 PolarHBondContact O-N 3.22Å; L537-A539 VanDerWaalsContact C-N 3.27Å; L537-A539 PolarHBondContact O-N 2.83Å
540L86.5Confident86Confident26 Ų2650.3 Ų50.314%0.13623%0.232CC..Hα-helixtrans-89.8-42.9175.5-65.5176.9000112.5E536 L537 P538 H542 R543 R544 P648 A652E536-L540 PolarHBondContact O-N 3.17Å; L537-L540 WeakPolarHBondContact O-CB 3.37Å; L537-L540 PolarHBondContact O-N 2.71Å; P538-L540 PolarHBondContact O-N 2.74Å; L540-H542 PolarHBondContact O-N 2.95Å; L540-R543 WeakPolarHBondContact O-CA 3.14Å; L540-R543 WeakPolarHBondContact O-CB 3.2Å; L540-R543 PolarHBondContact O-N 3Å; L540-R544 PolarHBondContact O-N 3.08Å; L540-P648 HydrophobicContact CD1-CB 3.99Å; L540-P648 HydrophobicContact CD1-CG 4.36Å; L540-A652 HydrophobicContact CB-CB 4.11Å
541L87.9Confident86.1Confident0 Ų045.7 Ų45.70%021%0.21CC..Hα-helixtrans-53.9-45.4172.8-67.7169.5000110.6L537 P538 R543 R544 G545 L546 I548 Y558 A652 F655L537-L541 HydrophobicContact CD1-CD1 4.39Å; L537-L541 HydrophobicContact CD1-CD2 4.37Å; L537-L541 HydrophobicContact CD1-CG 4.04Å; L537-L541 HydrophobicContact CG-CD1 4.09Å; L537-L541 HydrophobicContact CG-CG 4.26Å; L537-L541 WeakPolarHBondContact O-CG 3.32Å; L537-L541 PolarHBondContact O-N 3.36Å; P538-L541 PolarHBondContact O-N 2.67Å; L541-R543 VanDerWaalsContact C-N 3.28Å; L541-R543 PolarHBondContact O-N 3.37Å; L541-R544 PolarHBondContact O-N 2.77Å; L541-G545 PolarHBondContact O-N 2.91Å; L541-L546 HydrophobicContact CB-CD1 4.46Å; L541-L546 HydrophobicContact CD2-CD1 3.74Å; L541-L546 PolarHBondContact O-N 2.79Å; L541-I548 HydrophobicContact CB-CD1 4.04Å; L541-Y558 HydrophobicContact CD1-CD1 4.13Å; L541-Y558 HydrophobicContact CD1-CE1 3.75Å; L541-A652 HydrophobicContact CD2-CB 3.96Å; L541-A652 HydrophobicContact CG-CB 4.44Å; L541-F655 HydrophobicContact CD1-CD2 3.96Å; L541-F655 HydrophobicContact CD1-CE2 4.33Å; L541-F655 HydrophobicContact CD2-CB 3.75Å; L541-F655 HydrophobicContact CD2-CD2 3.63Å; L541-F655 HydrophobicContact CD2-CG 4.08Å; L541-F655 HydrophobicContact CG-CD2 4.44Å
542H86.4Confident86.2Confident15 Ų1543.8 Ų43.87%0.06921%0.214CC..Hα-helixtrans-64.4-26.4176-169.8-83.2000114.3F8 L12 Q15 R500 P538 L540 L546 I548F8-H542 HydrophobicContact CE2-CB 3.73Å; F8-H542 AromaticContact CE2-CG 3.68Å; F8-H542 HydrophobicContact CZ-CB 4.17Å; L12-H542 VanDerWaalsContact CD2-CE1 3.4Å; L12-H542 WeakPolarHBondContact CD2-CE1 3.45Å; L12-H542 VanDerWaalsContact CD2-NE2 3.35Å; L12-H542 WeakPolarHBondContact CD2-NE2 3.41Å; Q15-H542 PolarHBondContact OE1-CE1 3.01Å; R500-H542 PolarHBondContact NE-O 3.37Å; R500-H542 PolarHBondContact NH2-CD2 2.73Å; R500-H542 VanDerWaalsContact NH2-CD2 3.27Å; R500-H542 PolarHBondContact NH2-CE1 2.71Å; R500-H542 PolarHBondContact NH2-NE2 3.44Å; P538-H542 WeakPolarHBondContact O-CB 3.04Å; P538-H542 PolarHBondContact O-N 2.68Å; P538-H542 VanDerWaalsContact O-N 3.13Å; L540-H542 PolarHBondContact O-N 2.95Å; H542-L546 WeakPolarHBondContact CA-O 3.36Å; H542-I548 HydrophobicContact CB-CD1 3.94Å
543R81.7Confident86.2Confident82 Ų8242.7 Ų42.731%0.30921%0.208SC..Hα-helixtrans-79.8-33.4174.9-167.8177.3-175.3161.35.7111.4L496 D497 R500 S501 L540 L541 G545L496-R543 PolarHBondContact O-NH2 3.07Å; D497-R543 IonicContact OD1-CZ 2.87Å; D497-R543 IonicContact OD1-NH1 2.68Å; D497-R543 PolarHBondContact OD1-NH1 3.06Å; D497-R543 IonicContact OD1-NH2 3.17Å; D497-R543 PolarHBondContact OD1-NH2 3.2Å; R500-R543 WeakPolarHBondContact CA-O 3.34Å; S501-R543 PolarHBondContact N-O 2.88Å; S501-R543 VanDerWaalsContact N-O 3.11Å; L540-R543 WeakPolarHBondContact O-CA 3.14Å; L540-R543 WeakPolarHBondContact O-CB 3.2Å; L540-R543 PolarHBondContact O-N 3Å; L541-R543 VanDerWaalsContact C-N 3.28Å; L541-R543 PolarHBondContact O-N 3.37Å; R543-G545 PolarHBondContact O-N 3.48Å
544R80.5Confident86.1Confident72 Ų7246.2 Ų46.227%0.27223%0.226SC..Hα-helixtrans-69-11.8173-71.3-73.7-174.5150.46.9114L540 L541 H649 A652 E653L540-R544 PolarHBondContact O-N 3.08Å; L541-R544 PolarHBondContact O-N 2.77Å; R544-H649 PolarHBondContact NH2-O 3.08Å; R544-A652 HydrophobicContact CG-CB 4.19Å; R544-E653 IonicContact CZ-OE2 3.9Å; R544-E653 IonicContact NH1-OE2 3.7Å; R544-E653 PolarHBondContact NH1-OE2 3.48Å; R544-E653 IonicContact NH2-OE2 2.97Å; R544-E653 PolarHBondContact NH2-OE2 3.27Å
545G79.1Confident86.4Confident20 Ų2036.6 Ų36.621%0.20619%0.19CC..THydrogen-bonded Turntrans101.14.3176.200000114.9L541 R543L541-G545 PolarHBondContact O-N 2.91Å; R543-G545 PolarHBondContact O-N 3.48Å
546L84.7Confident86.6Confident1 Ų136 Ų361%0.00519%0.187CC..  trans-75.2129.9168.5-64.2168.6000109.3A505 S524 V526 L541 H542A505-L546 HydrophobicContact CB-CD2 4.16Å; S524-L546 WeakPolarHBondContact O-CA 3.38Å; V526-L546 HydrophobicContact CG2-CD1 4.16Å; L541-L546 HydrophobicContact CB-CD1 4.46Å; L541-L546 HydrophobicContact CD2-CD1 3.74Å; L541-L546 PolarHBondContact O-N 2.79Å; H542-L546 WeakPolarHBondContact CA-O 3.36Å
547D87.6Confident87.1Confident46 Ų4632.8 Ų32.825%0.24617%0.173CC..EExtended strand (participates in β ladder)trans-75.8153.3168.4-80.9-24.7000109.7R500 P523 S524 R525 V526R500-D547 IonicContact CZ-OD1 3.53Å; R500-D547 IonicContact NH1-OD1 3.56Å; R500-D547 PolarHBondContact NH1-OD1 2.94Å; R500-D547 IonicContact NH2-OD1 3.67Å; R500-D547 PolarHBondContact NH2-OD1 3.44Å; P523-D547 VanDerWaalsContact CB-OD2 3.29Å; P523-D547 WeakPolarHBondContact CB-OD2 3.46Å; P523-D547 WeakPolarHBondContact CG-OD2 3.5Å; S524-D547 PolarHBondContact O-N 2.77Å; R525-D547 CarbonylContact C-O 3.5Å; R525-D547 VanDerWaalsContact CA-O 3.32Å; R525-D547 WeakPolarHBondContact CA-O 3.45Å; R525-D547 HydrophobicContact CG-CB 4.34Å; V526-D547 PolarHBondContact N-O 2.58Å
548I89.8Confident87.4Confident32 Ų3232.8 Ų32.816%0.16417%0.173CC..EExtended strand (participates in β ladder)trans-126.5128.2-172.5-64-177.1000109.8V526 V528 F533 P538 L541 H542V526-I548 WeakPolarHBondContact O-CA 3.49Å; V528-I548 HydrophobicContact CB-CG2 4.04Å; V528-I548 HydrophobicContact CG2-CG2 3.67Å; F533-I548 HydrophobicContact CE1-CG2 4.18Å; F533-I548 HydrophobicContact CZ-CG2 3.63Å; P538-I548 HydrophobicContact CB-CD1 4.06Å; P538-I548 WeakPolarHBondContact O-CD1 3.32Å; L541-I548 HydrophobicContact CB-CD1 4.04Å; H542-I548 HydrophobicContact CB-CD1 3.94Å
549E90.6Very high87.5Confident57 Ų5732.9 Ų32.927%0.26617%0.173SC..EExtended strand (participates in β ladder)trans-110.8102.7-178.5-163.9126.1-148.700108.5R525 V526 I527 V528 V551 A667R525-E549 VanDerWaalsContact CD-OE2 3.23Å; R525-E549 WeakPolarHBondContact CD-OE2 3.16Å; R525-E549 IonicContact CZ-OE2 2.8Å; R525-E549 IonicContact NH1-OE1 2.76Å; R525-E549 IonicContact NH1-OE2 3.16Å; R525-E549 PolarHBondContact NH1-OE2 3.16Å; V526-E549 PolarHBondContact O-N 3.12Å; I527-E549 WeakPolarHBondContact CA-O 3.42Å; I527-E549 HydrophobicContact CG1-CB 4.36Å; V528-E549 PolarHBondContact N-O 3.24Å; E549-V551 PolarHBondContact O-N 3.19Å; E549-A667 HydrophobicContact CG-CB 4Å
550P91.5Very high87.8Confident76 Ų7632.5 Ų32.549%0.49417%0.17SC..EExtended strand (participates in β ladder)trans-77.3118.9-175.929.1-32.8000111.3M530 F533M530-P550 HydrophobicContact SD-CB 3.77Å; F533-P550 HydrophobicContact CE2-CB 3.75Å; F533-P550 HydrophobicContact CZ-CB 3.78Å
551V90.1Very high88Confident8 Ų831.4 Ų31.45%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-135.7150-177.1175.40000109.9I527 V528 D529 M530 E549 L553 A667 Q671I527-V551 HydrophobicContact CG2-CB 3.69Å; I527-V551 HydrophobicContact CG2-CG1 4.45Å; I527-V551 HydrophobicContact CG2-CG2 3.65Å; V528-V551 PolarHBondContact O-N 3.12Å; D529-V551 CarbonylContact C-O 3.59Å; D529-V551 VanDerWaalsContact CA-O 3.26Å; D529-V551 WeakPolarHBondContact CA-O 3.25Å; M530-V551 PolarHBondContact N-O 3.3Å; E549-V551 PolarHBondContact O-N 3.19Å; V551-L553 HydrophobicContact CB-CD2 4.34Å; V551-L553 HydrophobicContact CG1-CD2 3.75Å; V551-L553 HydrophobicContact CG1-CG 4.33Å; V551-L553 PolarHBondContact O-N 3.12Å; V551-A667 HydrophobicContact CG2-CB 4.23Å; V551-Q671 HydrophobicContact CG1-CG 3.46Å; V551-Q671 VanDerWaalsContact CG1-CG 3.46Å
552T89.6Confident88Confident95 Ų9535.1 Ų35.158%0.58319%0.189SC*.  trans-85.1102.3169.347.90000110.2M530M530-T552 HydrophobicContact CB-CG2 4.09Å; M530-T552 HydrophobicContact CG-CG2 3.91Å
553L87.5Confident88.2Confident1 Ų136.4 Ų36.41%0.00520%0.196CC..  trans-96.8138.8-179.3-60.5177.2000111.3I527 D529 R531 V551 I559 A670I527-L553 HydrophobicContact CG2-CD1 4.32Å; I527-L553 HydrophobicContact CG2-CD2 4.37Å; D529-L553 HydrophobicContact CB-CB 4.44Å; D529-L553 HydrophobicContact CB-CD1 4.47Å; R531-L553 PolarHBondContact NH2-O 2.68Å; V551-L553 HydrophobicContact CB-CD2 4.34Å; V551-L553 HydrophobicContact CG1-CD2 3.75Å; V551-L553 HydrophobicContact CG1-CG 4.33Å; V551-L553 PolarHBondContact O-N 3.12Å; L553-I559 HydrophobicContact CD1-CD1 3.83Å; L553-I559 HydrophobicContact CD1-CG1 4.02Å; L553-I559 HydrophobicContact CD2-CD1 3.82Å; L553-A670 HydrophobicContact CD2-CB 4.25Å
554Q84.1Confident88.6Confident110 Ų11032.6 Ų32.651%0.51418%0.182SC..SBendtrans-87-23169-54.5-63.96.600113.3T674Q554-T674 HydrophobicContact CB-CG2 4.24Å
555V87.1Confident89.2Confident12 Ų1229.1 Ų29.17%0.07317%0.169CC..SBendtrans-132.2109-172.8-177.50000110.4A589 M590 Y594 T674V555-A589 HydrophobicContact CG1-CB 3.95Å; V555-A589 HydrophobicContact CG2-CB 4.01Å; V555-M590 HydrophobicContact CG1-CB 4.32Å; V555-M590 HydrophobicContact CG1-CG 3.83Å; V555-Y594 HydrophobicContact CG1-CE2 4.23Å; V555-T674 HydrophobicContact CB-CG2 4.44Å
556G88.4Confident90Very high5 Ų528.2 Ų28.25%0.05216%0.159CC..  trans86.3160.7-176.800000113.9
557D92.2Very high90.5Very high21 Ų2128.4 Ų28.411%0.11216%0.16CC..SBendtrans-101.1-28.9-178.3-49.1-68.3000112D529 E532 V566 E567 R568D529-D557 PolarHBondContact N-O 2.84Å; E532-D557 HydrophobicContact CB-CB 4.44Å; E532-D557 HydrophobicContact CG-CB 4.33Å; D557-V566 PolarHBondContact N-O 2.95Å; D557-E567 VanDerWaalsContact OD2-CA 3.25Å; D557-E567 WeakPolarHBondContact OD2-CA 3.44Å; D557-R568 PolarHBondContact OD2-N 3.32Å
558Y93.9Very high90.8Very high0 Ų028.3 Ų28.30%016%0.156CC..EExtended strand (participates in β ladder)trans-137.1139.9178.2-56.9-102000111.6V526 I527 V528 E532 L537 P538 L541 V566 R568 F655V526-Y558 HydrophobicContact CG1-CD1 4.08Å; I527-Y558 WeakPolarHBondContact O-CA 3.41Å; V528-Y558 HydrophobicContact CB-CD1 4.49Å; V528-Y558 HydrophobicContact CG1-CD1 4.29Å; V528-Y558 HydrophobicContact CG1-CE1 3.96Å; V528-Y558 HydrophobicContact CG2-CD1 3.75Å; V528-Y558 HydrophobicContact CG2-CE1 3.92Å; E532-Y558 HydrophobicContact CG-CE1 4.45Å; E532-Y558 HydrophobicContact CG-CE2 3.57Å; E532-Y558 VanDerWaalsContact CG-CZ 3.48Å; E532-Y558 WeakPolarHBondContact CG-OH 3.34Å; E532-Y558 PolarHBondContact OE1-OH 2.67Å; L537-Y558 HydrophobicContact CD2-CE1 4.21Å; L537-Y558 HydrophobicContact CD2-CE2 4.14Å; L537-Y558 WeakPolarHBondContact CD2-OH 3.32Å; L537-Y558 HydrophobicContact CG-CE1 4.36Å; P538-Y558 HydrophobicContact CG-CE1 4.45Å; L541-Y558 HydrophobicContact CD1-CD1 4.13Å; L541-Y558 HydrophobicContact CD1-CE1 3.75Å; Y558-V566 PolarHBondContact N-O 2.85Å; Y558-V566 VanDerWaalsContact N-O 3.13Å; Y558-V566 PolarHBondContact O-N 2.7Å; Y558-R568 HydrophobicContact CE2-CB 4.07Å; Y558-F655 AromaticContact CD1-CE2 3.75Å; Y558-F655 HydrophobicContact CD1-CE2 3.75Å; Y558-F655 HydrophobicContact CD2-CE2 4.25Å; Y558-F655 HydrophobicContact CD2-CZ 4.43Å; Y558-F655 HydrophobicContact CE1-CE2 4.19Å; Y558-F655 AromaticContact CG-CE2 3.81Å; Y558-F655 HydrophobicContact CG-CE2 3.81Å; Y558-F655 HydrophobicContact CG-CZ 4.34Å
559I93.6Very high90.8Very high4 Ų427.2 Ų27.22%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-117.1117.1169.7-52.7164.5000108.3I527 L553 T561 Y594 P665 A670I527-I559 HydrophobicContact CB-CB 4.18Å; I527-I559 HydrophobicContact CB-CD1 4.46Å; I527-I559 HydrophobicContact CD1-CB 4.45Å; I527-I559 HydrophobicContact CD1-CD1 4.33Å; I527-I559 HydrophobicContact CG2-CD1 4.44Å; I527-I559 PolarHBondContact N-O 3.4Å; I527-I559 PolarHBondContact O-N 2.61Å; L553-I559 HydrophobicContact CD1-CD1 3.83Å; L553-I559 HydrophobicContact CD1-CG1 4.02Å; L553-I559 HydrophobicContact CD2-CD1 3.82Å; I559-T561 WeakPolarHBondContact CG2-O 3.35Å; I559-Y594 VanDerWaalsContact CD1-OH 3.22Å; I559-Y594 WeakPolarHBondContact CD1-OH 3.18Å; I559-Y594 HydrophobicContact CG2-CE1 4.48Å; I559-P665 HydrophobicContact CG2-CB 4.05Å; I559-A670 HydrophobicContact CD1-CB 3.55Å
560L91.6Very high90.6Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-90.7-37.6-174.7-59.4-178.3000112.2V526 T564 V566 F655 L658 K659V526-L560 HydrophobicContact CG1-CD2 4Å; V526-L560 HydrophobicContact CG2-CD2 4.2Å; L560-T564 PolarHBondContact N-O 3.13Å; L560-T564 VanDerWaalsContact N-O 3.12Å; L560-V566 HydrophobicContact CD1-CG2 3.78Å; L560-V566 HydrophobicContact CG-CG2 3.91Å; L560-F655 HydrophobicContact CD1-CD1 4.27Å; L560-F655 HydrophobicContact CD1-CE1 4.49Å; L560-F655 HydrophobicContact CD1-CG 4.43Å; L560-F655 HydrophobicContact CD2-CB 4.33Å; L560-F655 HydrophobicContact CD2-CD1 4.47Å; L560-F655 HydrophobicContact CD2-CD2 3.62Å; L560-F655 HydrophobicContact CD2-CE2 3.98Å; L560-F655 HydrophobicContact CD2-CG 3.9Å; L560-L658 HydrophobicContact CD1-CB 4.29Å; L560-L658 HydrophobicContact CD1-CD1 4.2Å; L560-K659 PolarHBondContact O-NZ 3.34Å
561T90.2Very high90.3Very high2 Ų223.7 Ų23.71%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-148.3161.7179.563.60000108.2I559 D563 T564 R662 A663I559-T561 WeakPolarHBondContact CG2-O 3.35Å; T561-D563 PolarHBondContact O-N 2.91Å; T561-D563 PolarHBondContact OG1-OD1 3.46Å; T561-T564 PolarHBondContact O-N 3.45Å; T561-T564 WeakPolarHBondContact OG1-CB 3.27Å; T561-T564 PolarHBondContact OG1-N 3.2Å; T561-T564 PolarHBondContact OG1-OG1 3.41Å; T561-R662 HydrophobicContact CG2-CB 3.65Å; T561-R662 HydrophobicContact CG2-CG 4.39Å; T561-A663 WeakPolarHBondContact CG2-O 3.49Å
562P88.1Confident89.8Confident79 Ų7925 Ų2551%0.51314%0.142SC..THydrogen-bonded Turntrans-54.6-20.5-178.2-27.634.5000115.6A663 E664P562-A663 WeakPolarHBondContact CD-O 3.48Å; P562-E664 WeakPolarHBondContact CD-O 3.49Å; P562-E664 VanDerWaalsContact CG-O 3.3Å; P562-E664 WeakPolarHBondContact CG-O 3.35Å
563D89.3Confident89.6Confident41 Ų4125 Ų2522%0.21914%0.138CC..THydrogen-bonded Turntrans-109.2-2.8-178.181.3-32.6000114.8T561 R595 K596T561-D563 PolarHBondContact O-N 2.91Å; T561-D563 PolarHBondContact OG1-OD1 3.46Å; D563-R595 HydrophobicContact CB-CB 4.19Å; D563-K596 WeakPolarHBondContact O-CB 3.44Å; D563-K596 PolarHBondContact O-N 2.95Å; D563-K596 IonicContact OD1-NZ 3.41Å; D563-K596 PolarHBondContact OD1-NZ 3.45Å; D563-K596 WeakPolarHBondContact OD2-CD 3.39Å; D563-K596 WeakPolarHBondContact OD2-CE 3.43Å; D563-K596 IonicContact OD2-NZ 2.65Å; D563-K596 PolarHBondContact OD2-NZ 2.92Å
564T91.3Very high89.7Confident2 Ų224.9 Ų24.91%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-128111.7-170.5-53.50000112.3L560 T561 K596 L598L560-T564 PolarHBondContact N-O 3.13Å; L560-T564 VanDerWaalsContact N-O 3.12Å; T561-T564 PolarHBondContact O-N 3.45Å; T561-T564 WeakPolarHBondContact OG1-CB 3.27Å; T561-T564 PolarHBondContact OG1-N 3.2Å; T561-T564 PolarHBondContact OG1-OG1 3.41Å; T564-K596 HydrophobicContact CG2-CB 4.39Å; T564-K596 VanDerWaalsContact OG1-CD 3.3Å; T564-K596 WeakPolarHBondContact OG1-CD 3.33Å; T564-L598 HydrophobicContact CG2-CD1 3.39Å; T564-L598 HydrophobicContact CG2-CG 3.89Å
565C93.4Very high89.7Confident0 Ų020.5 Ų20.50%012%0.118CC..EExtended strand (participates in β ladder)trans-113.2140.9179.5166.10000110.2Y594 K596 L598C565-Y594 HydrophobicContact CB-CD1 3.78Å; C565-Y594 HydrophobicContact CB-CD2 3.25Å; C565-Y594 HydrophobicContact CB-CE1 4.09Å; C565-Y594 HydrophobicContact CB-CE2 3.61Å; C565-Y594 HydrophobicContact CB-CG 3.34Å; C565-K596 PolarHBondContact N-O 3.38Å; C565-L598 WeakPolarHBondContact O-CB 3.27Å; C565-L598 PolarHBondContact O-N 3.25Å
566V95.2Very high89.6Confident0 Ų020.9 Ų20.90%012%0.124CC..EExtended strand (participates in β ladder)trans-120.5128.1178.9-164.30000110.9D557 Y558 L560 L598 L600 F655D557-V566 PolarHBondContact N-O 2.95Å; Y558-V566 PolarHBondContact N-O 2.85Å; Y558-V566 VanDerWaalsContact N-O 3.13Å; Y558-V566 PolarHBondContact O-N 2.7Å; L560-V566 HydrophobicContact CD1-CG2 3.78Å; L560-V566 HydrophobicContact CG-CG2 3.91Å; V566-L598 WeakPolarHBondContact CA-O 3.5Å; V566-L598 HydrophobicContact CB-CB 4.48Å; V566-L598 HydrophobicContact CG1-CB 4.31Å; V566-L598 HydrophobicContact CG2-CB 4.21Å; V566-L598 HydrophobicContact CG2-CD1 4.1Å; V566-L600 HydrophobicContact CG1-CB 3.59Å; V566-L600 HydrophobicContact CG1-CD2 4.43Å; V566-F655 HydrophobicContact CB-CZ 4.46Å; V566-F655 HydrophobicContact CG1-CE1 4.48Å; V566-F655 HydrophobicContact CG1-CZ 4.16Å; V566-F655 HydrophobicContact CG2-CE1 4.49Å; V566-F655 HydrophobicContact CG2-CZ 4.26Å
567E95.3Very high89.6Confident5 Ų521 Ų212%0.02312%0.124CC..EExtended strand (participates in β ladder)trans-96.2127.8159.3172.794.6-158.500108.4D557 K569 Q586 M590 L598 L599 L600D557-E567 VanDerWaalsContact OD2-CA 3.25Å; D557-E567 WeakPolarHBondContact OD2-CA 3.44Å; E567-K569 HydrophobicContact CG-CD 4.35Å; E567-K569 IonicContact OE1-NZ 2.6Å; E567-K569 PolarHBondContact OE1-NZ 3.17Å; E567-Q586 PolarHBondContact OE1-NE2 3.08Å; E567-Q586 PolarHBondContact OE1-OE1 3.48Å; E567-Q586 PolarHBondContact OE2-NE2 3.45Å; E567-M590 HydrophobicContact CB-CE 3.52Å; E567-M590 HydrophobicContact CB-SD 3.63Å; E567-M590 HydrophobicContact CG-CE 4.31Å; E567-L598 PolarHBondContact N-O 3.19Å; E567-L599 HydrophobicContact CB-CD1 4.31Å; E567-L599 HydrophobicContact CG-CD1 4.05Å; E567-L600 PolarHBondContact O-N 3.27Å
568R93.2Very high89.4Confident44 Ų4420.8 Ų20.817%0.16612%0.123CC..EExtended strand (participates in β ladder)trans-100.6130.7177.8178.5167.8165.1-78.3-8.8110.6E532 S535 D557 Y558 L600 E602E532-R568 WeakPolarHBondContact OE1-CD 3.41Å; E532-R568 IonicContact OE1-CZ 2.77Å; E532-R568 IonicContact OE1-NE 3.56Å; E532-R568 IonicContact OE1-NH1 2.65Å; E532-R568 PolarHBondContact OE1-NH1 3.35Å; E532-R568 IonicContact OE2-NH1 2.88Å; S535-R568 VanDerWaalsContact CB-NH1 3.29Å; S535-R568 PolarHBondContact OG-NH1 2.99Å; D557-R568 PolarHBondContact OD2-N 3.32Å; Y558-R568 HydrophobicContact CE2-CB 4.07Å; R568-L600 HydrophobicContact CB-CD2 4.03Å; R568-L600 HydrophobicContact CG-CD2 3.78Å; R568-L600 HydrophobicContact CG-CG 4.43Å; R568-E602 IonicContact CZ-OE1 3.66Å; R568-E602 IonicContact CZ-OE2 3.25Å; R568-E602 IonicContact NE-OE1 3.76Å; R568-E602 IonicContact NE-OE2 3.71Å; R568-E602 PolarHBondContact NE-OE2 2.97Å; R568-E602 IonicContact NH2-OE1 3.52Å; R568-E602 PolarHBondContact NH2-OE1 3.2Å; R568-E602 IonicContact NH2-OE2 2.68Å
569K91.2Very high88.9Confident10 Ų1026.4 Ų26.44%0.04315%0.149CC..EExtended strand (participates in β ladder)trans-131.1127.1179.3-123.461.1166.3-178.20111.4E567 D573 L574 S577 L599 L600 I601 E602E567-K569 HydrophobicContact CG-CD 4.35Å; E567-K569 IonicContact OE1-NZ 2.6Å; E567-K569 PolarHBondContact OE1-NZ 3.17Å; K569-D573 HydrophobicContact CD-CB 4.26Å; K569-D573 HydrophobicContact CG-CB 3.99Å; K569-L574 HydrophobicContact CB-CB 4.34Å; K569-L574 HydrophobicContact CG-CB 4.09Å; K569-S577 WeakPolarHBondContact CE-OG 3.26Å; K569-L599 HydrophobicContact CB-CD1 4.37Å; K569-L600 PolarHBondContact N-O 3.26Å; K569-I601 WeakPolarHBondContact O-CA 3.31Å; K569-E602 PolarHBondContact O-N 3.13Å
570S86.6Confident88.5Confident30 Ų3030.3 Ų30.321%0.2118%0.177CC..EExtended strand (participates in β ladder)trans-69159.6159.580.30000109.8S572 D573 L574S570-S572 PolarHBondContact O-N 3.47Å; S570-S572 PolarHBondContact OG-N 2.89Å; S570-S572 PolarHBondContact OG-OG 3.48Å; S570-D573 WeakPolarHBondContact CB-OD2 3.4Å; S570-D573 PolarHBondContact O-N 2.95Å; S570-D573 VanDerWaalsContact OG-CG 3.22Å; S570-D573 PolarHBondContact OG-N 3.28Å; S570-D573 VanDerWaalsContact OG-N 3.08Å; S570-D573 PolarHBondContact OG-OD2 3.43Å; S570-L574 WeakPolarHBondContact O-CB 3.49Å; S570-L574 PolarHBondContact O-N 2.93Å
571V83.9Confident88.2Confident28 Ų2832 Ų3217%0.1720%0.195CC..Hα-helixtrans-58.2-37.6175.8-177.90000111.9I575 F603 F609V571-I575 HydrophobicContact CG1-CD1 4.18Å; V571-I575 VanDerWaalsContact O-CG1 3.28Å; V571-I575 WeakPolarHBondContact O-CG1 3.36Å; V571-I575 PolarHBondContact O-N 2.94Å; V571-I575 VanDerWaalsContact O-N 3.15Å; V571-F603 HydrophobicContact CG2-CD1 3.8Å; V571-F603 HydrophobicContact CG2-CE1 4.36Å; V571-F609 HydrophobicContact CG1-CD2 4.41Å; V571-F609 HydrophobicContact CG1-CE2 4.08Å; V571-F609 HydrophobicContact CG2-CD2 4.22Å; V571-F609 HydrophobicContact CG2-CE2 4.09Å
572S80.3Confident88.1Confident37 Ų3738.7 Ų38.726%0.25922%0.219SC..Hα-helixtrans-61.6-50.3173.620.80000112.3H136 S570 L574 I575 G576H136-S572 VanDerWaalsContact CD2-CB 3.48Å; H136-S572 WeakPolarHBondContact CD2-CB 3.47Å; S570-S572 PolarHBondContact O-N 3.47Å; S570-S572 PolarHBondContact OG-N 2.89Å; S570-S572 PolarHBondContact OG-OG 3.48Å; S572-L574 VanDerWaalsContact C-N 3.31Å; S572-L574 PolarHBondContact O-N 3.22Å; S572-I575 PolarHBondContact O-N 3.05Å; S572-G576 PolarHBondContact O-N 3.29Å
573D86.1Confident88.2Confident93 Ų9334.9 Ų34.950%0.49720%0.195SC..Hα-helixtrans-67.9-32.4-179.3-63.3-56000111.9K569 S570 S577K569-D573 HydrophobicContact CD-CB 4.26Å; K569-D573 HydrophobicContact CG-CB 3.99Å; S570-D573 WeakPolarHBondContact CB-OD2 3.4Å; S570-D573 PolarHBondContact O-N 2.95Å; S570-D573 VanDerWaalsContact OG-CG 3.22Å; S570-D573 PolarHBondContact OG-N 3.28Å; S570-D573 VanDerWaalsContact OG-N 3.08Å; S570-D573 PolarHBondContact OG-OD2 3.43Å; D573-S577 WeakPolarHBondContact O-CB 3.46Å; D573-S577 PolarHBondContact O-N 3.03Å; D573-S577 PolarHBondContact O-OG 3.1Å
574L88.2Confident88.4Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-61.2-49.9173.717865.2000110.5K569 S570 S572 S577 L578 L583 I601K569-L574 HydrophobicContact CB-CB 4.34Å; K569-L574 HydrophobicContact CG-CB 4.09Å; S570-L574 WeakPolarHBondContact O-CB 3.49Å; S570-L574 PolarHBondContact O-N 2.93Å; S572-L574 VanDerWaalsContact C-N 3.31Å; S572-L574 PolarHBondContact O-N 3.22Å; L574-S577 PolarHBondContact O-N 3.03Å; L574-S577 PolarHBondContact O-OG 2.76Å; L574-L578 HydrophobicContact CD1-CD1 3.78Å; L574-L578 HydrophobicContact CD1-CG 4.26Å; L574-L578 HydrophobicContact CG-CD1 3.96Å; L574-L578 VanDerWaalsContact O-CB 3.32Å; L574-L578 WeakPolarHBondContact O-CB 3.39Å; L574-L578 VanDerWaalsContact O-CG 3.31Å; L574-L578 WeakPolarHBondContact O-CG 3.26Å; L574-L578 PolarHBondContact O-N 2.88Å; L574-L583 HydrophobicContact CD1-CD2 3.7Å; L574-I601 HydrophobicContact CD1-CD1 4.36Å; L574-I601 HydrophobicContact CD2-CD1 3.72Å; L574-I601 HydrophobicContact CD2-CG1 4.12Å; L574-I601 HydrophobicContact CD2-CG2 3.93Å
575I84.8Confident88.3Confident17 Ų1741.7 Ų41.79%0.08723%0.228CC..Hα-helixtrans-61.8-48.3177.7-64.2166.7000110.3H136 V571 S572 S577 L578 Q579 V626H136-I575 HydrophobicContact CB-CB 4.44Å; H136-I575 HydrophobicContact CB-CD1 4.28Å; H136-I575 HydrophobicContact CB-CG2 4.17Å; V571-I575 HydrophobicContact CG1-CD1 4.18Å; V571-I575 VanDerWaalsContact O-CG1 3.28Å; V571-I575 WeakPolarHBondContact O-CG1 3.36Å; V571-I575 PolarHBondContact O-N 2.94Å; V571-I575 VanDerWaalsContact O-N 3.15Å; S572-I575 PolarHBondContact O-N 3.05Å; I575-S577 PolarHBondContact O-N 2.76Å; I575-L578 PolarHBondContact O-N 3.15Å; I575-Q579 HydrophobicContact CG2-CG 4.49Å; I575-Q579 WeakPolarHBondContact O-CB 3.3Å; I575-Q579 VanDerWaalsContact O-CG 3.25Å; I575-Q579 WeakPolarHBondContact O-CG 3.42Å; I575-Q579 PolarHBondContact O-N 3.32Å; I575-V626 HydrophobicContact CG1-CG1 4.16Å; I575-V626 HydrophobicContact CG1-CG2 4.04Å; I575-V626 HydrophobicContact CG2-CG2 4.24Å
576G84.7Confident88.1Confident21 Ų2143.1 Ų43.122%0.21623%0.234CC..Hα-helixtrans-63.5-39.2179.200000114S572 Q579 S580S572-G576 PolarHBondContact O-N 3.29Å; G576-Q579 PolarHBondContact O-N 3.09Å; G576-S580 WeakPolarHBondContact O-CB 3.19Å; G576-S580 PolarHBondContact O-N 2.96Å; G576-S580 PolarHBondContact O-OG 3.47Å
577S88.1Confident87.9Confident6 Ų643.1 Ų43.14%0.04223%0.234CC..Hα-helixtrans-79.9-23.9-179.462.30000114K569 D573 L574 I575 S580 G581 R582 L583K569-S577 WeakPolarHBondContact CE-OG 3.26Å; D573-S577 WeakPolarHBondContact O-CB 3.46Å; D573-S577 PolarHBondContact O-N 3.03Å; D573-S577 PolarHBondContact O-OG 3.1Å; L574-S577 PolarHBondContact O-N 3.03Å; L574-S577 PolarHBondContact O-OG 2.76Å; I575-S577 PolarHBondContact O-N 2.76Å; S577-S580 WeakPolarHBondContact CA-OG 3.19Å; S577-G581 CarbonylContact O-C 3.39Å; S577-G581 PolarHBondContact O-N 3.39Å; S577-R582 PolarHBondContact O-N 3.2Å; S577-R582 VanDerWaalsContact O-N 3.12Å; S577-L583 PolarHBondContact O-N 3.21Å; S577-L583 VanDerWaalsContact O-N 3.09Å
578L88Confident87.7Confident17 Ų1745.3 Ų45.39%0.08925%0.246CC..Hα-helixtrans-78-29.5166.2-73.8169.5000112.7L574 I575 L583 V626 K629 L633L574-L578 HydrophobicContact CD1-CD1 3.78Å; L574-L578 HydrophobicContact CD1-CG 4.26Å; L574-L578 HydrophobicContact CG-CD1 3.96Å; L574-L578 VanDerWaalsContact O-CB 3.32Å; L574-L578 WeakPolarHBondContact O-CB 3.39Å; L574-L578 VanDerWaalsContact O-CG 3.31Å; L574-L578 WeakPolarHBondContact O-CG 3.26Å; L574-L578 PolarHBondContact O-N 2.88Å; I575-L578 PolarHBondContact O-N 3.15Å; L578-L583 HydrophobicContact CD2-CD2 3.94Å; L578-L583 HydrophobicContact CG-CD2 4.02Å; L578-V626 HydrophobicContact CD1-CG1 3.85Å; L578-K629 HydrophobicContact CD2-CB 4.22Å; L578-L633 HydrophobicContact CD2-CD1 3.96Å
579Q84Confident87.4Confident119 Ų11944.8 Ų44.856%0.55625%0.251SS*.Hα-helixtrans-74.7-41.4174.7-77174.2-9.300112.2I575 G576I575-Q579 HydrophobicContact CG2-CG 4.49Å; I575-Q579 WeakPolarHBondContact O-CB 3.3Å; I575-Q579 VanDerWaalsContact O-CG 3.25Å; I575-Q579 WeakPolarHBondContact O-CG 3.42Å; I575-Q579 PolarHBondContact O-N 3.32Å; G576-Q579 PolarHBondContact O-N 3.09Å
580S85Confident87.4Confident86 Ų8644.3 Ų44.360%0.60125%0.249SC*.SBendtrans-84.2-6.6177.856.10000114.8G576 S577 R582G576-S580 WeakPolarHBondContact O-CB 3.19Å; G576-S580 PolarHBondContact O-N 2.96Å; G576-S580 PolarHBondContact O-OG 3.47Å; S577-S580 WeakPolarHBondContact CA-OG 3.19Å; S580-R582 PolarHBondContact O-N 2.95Å
581G85.4Confident87.5Confident36 Ų3643.7 Ų43.737%0.37124%0.244SC..SBendtrans74.7-7.8-175.600000115.1S577 L583 Y584S577-G581 CarbonylContact O-C 3.39Å; S577-G581 PolarHBondContact O-N 3.39Å; G581-L583 PolarHBondContact O-N 2.99Å; G581-L583 VanDerWaalsContact O-N 3.14Å; G581-Y584 WeakPolarHBondContact O-CB 3.5Å; G581-Y584 PolarHBondContact O-N 3.14Å
582R87.9Confident87.7Confident141 Ų14151.5 Ų51.553%0.53227%0.27SS..Hα-helixtrans-51.4-38.6-180-179.7-174.1157.2-171.9-6.1112.9S577 S580 Y584 T585 Q586S577-R582 PolarHBondContact O-N 3.2Å; S577-R582 VanDerWaalsContact O-N 3.12Å; S580-R582 PolarHBondContact O-N 2.95Å; R582-Y584 PolarHBondContact O-N 3.34Å; R582-T585 PolarHBondContact O-N 3.03Å; R582-T585 PolarHBondContact O-OG1 3.03Å; R582-Q586 HydrophobicContact CG-CG 4.37Å; R582-Q586 VanDerWaalsContact NE-OE1 3.09Å; R582-Q586 WeakPolarHBondContact O-CG 3.23Å; R582-Q586 PolarHBondContact O-N 3.04Å
583L91.4Very high88Confident0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-63.5-32.6-177.9-173.557.8000112.5L574 S577 L578 G581 Q586 C587 L599 L633L574-L583 HydrophobicContact CD1-CD2 3.7Å; S577-L583 PolarHBondContact O-N 3.21Å; S577-L583 VanDerWaalsContact O-N 3.09Å; L578-L583 HydrophobicContact CD2-CD2 3.94Å; L578-L583 HydrophobicContact CG-CD2 4.02Å; G581-L583 PolarHBondContact O-N 2.99Å; G581-L583 VanDerWaalsContact O-N 3.14Å; L583-Q586 PolarHBondContact O-N 3.12Å; L583-C587 WeakPolarHBondContact O-CB 3.47Å; L583-C587 PolarHBondContact O-N 2.99Å; L583-C587 PolarHBondContact O-SG 2.82Å; L583-C587 VanDerWaalsContact O-SG 3.32Å; L583-L599 HydrophobicContact CD1-CD1 4.05Å; L583-L599 HydrophobicContact CD2-CD2 4.08Å; L583-L633 HydrophobicContact CB-CD1 4.39Å; L583-L633 HydrophobicContact CD2-CD1 3.97Å; L583-L633 HydrophobicContact CG-CD1 3.89Å
584Y91.8Very high88.2Confident98 Ų9848.5 Ų48.538%0.38425%0.254SS..Hα-helixtrans-65.6-40.3178.8177-88.6000111.9G581 R582 L588 H636 F637G581-Y584 WeakPolarHBondContact O-CB 3.5Å; G581-Y584 PolarHBondContact O-N 3.14Å; R582-Y584 PolarHBondContact O-N 3.34Å; Y584-L588 WeakPolarHBondContact O-CB 3.44Å; Y584-L588 PolarHBondContact O-N 3.44Å; Y584-H636 AromaticContact CE2-CE1 3.79Å; Y584-H636 AromaticContact CE2-CG 3.86Å; Y584-H636 AromaticContact CE2-ND1 3.55Å; Y584-H636 AromaticContact CZ-CE1 3.76Å; Y584-H636 AromaticContact CZ-ND1 4Å; Y584-H636 PolarHBondContact OH-CE1 3.36Å; Y584-H636 PolarHBondContact OH-NE2 3.39Å; Y584-F637 AromaticContact CD2-CE2 3.57Å; Y584-F637 HydrophobicContact CD2-CE2 3.57Å; Y584-F637 AromaticContact CD2-CZ 3.88Å; Y584-F637 HydrophobicContact CD2-CZ 3.88Å; Y584-F637 AromaticContact CE2-CE2 3.75Å; Y584-F637 HydrophobicContact CE2-CE2 3.75Å; Y584-F637 AromaticContact CE2-CZ 3.73Å; Y584-F637 HydrophobicContact CE2-CZ 3.73Å; Y584-F637 HydrophobicContact CG-CE2 4.28Å; Y584-F637 HydrophobicContact CG-CZ 4.39Å
585T89Confident88.3Confident87 Ų8757.6 Ų57.653%0.53429%0.288SS..Hα-helixtrans-70.9-36.6177.160.40000111.7R582 L588 A589R582-T585 PolarHBondContact O-N 3.03Å; R582-T585 PolarHBondContact O-OG1 3.03Å; T585-L588 PolarHBondContact O-N 2.83Å; T585-A589 PolarHBondContact O-N 2.91Å
586Q90.2Very high88.6Confident30 Ų3060.5 Ų60.514%0.1430%0.3CS..Hα-helixtrans-62.6-48172.6-65.3-176.1-84.500111.7E567 R582 L583 L588 A589 M590E567-Q586 PolarHBondContact OE1-NE2 3.08Å; E567-Q586 PolarHBondContact OE1-OE1 3.48Å; E567-Q586 PolarHBondContact OE2-NE2 3.45Å; R582-Q586 HydrophobicContact CG-CG 4.37Å; R582-Q586 VanDerWaalsContact NE-OE1 3.09Å; R582-Q586 WeakPolarHBondContact O-CG 3.23Å; R582-Q586 PolarHBondContact O-N 3.04Å; L583-Q586 PolarHBondContact O-N 3.12Å; Q586-L588 VanDerWaalsContact C-N 3.32Å; Q586-L588 PolarHBondContact O-N 3.04Å; Q586-A589 PolarHBondContact O-N 3.33Å; Q586-M590 WeakPolarHBondContact O-CG 3.27Å; Q586-M590 PolarHBondContact O-N 2.95Å
587C91.2Very high89Confident0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-62.5-36.1175.2-69.90000113L583 T591 F637L583-C587 WeakPolarHBondContact O-CB 3.47Å; L583-C587 PolarHBondContact O-N 2.99Å; L583-C587 PolarHBondContact O-SG 2.82Å; L583-C587 VanDerWaalsContact O-SG 3.32Å; C587-T591 VanDerWaalsContact O-CB 3.22Å; C587-T591 WeakPolarHBondContact O-CB 3.39Å; C587-T591 PolarHBondContact O-N 2.72Å; C587-T591 PolarHBondContact O-OG1 2.91Å; C587-F637 HydrophobicContact CB-CD2 3.83Å; C587-F637 HydrophobicContact CB-CE2 3.68Å; C587-F637 HydrophobicContact CB-CG 4.37Å; C587-F637 HydrophobicContact CB-CZ 4.11Å
588L89.9Confident89.4Confident52 Ų5259.9 Ų59.927%0.27229%0.291SS..Hα-helixtrans-63.8-44174.5-178.863.5000111.9Y584 T585 Q586 R592 F637Y584-L588 WeakPolarHBondContact O-CB 3.44Å; Y584-L588 PolarHBondContact O-N 3.44Å; T585-L588 PolarHBondContact O-N 2.83Å; Q586-L588 VanDerWaalsContact C-N 3.32Å; Q586-L588 PolarHBondContact O-N 3.04Å; L588-R592 WeakPolarHBondContact O-CG 3.44Å; L588-R592 PolarHBondContact O-N 3.02Å; L588-F637 HydrophobicContact CB-CE1 4.13Å; L588-F637 HydrophobicContact CB-CZ 4Å; L588-F637 HydrophobicContact CD1-CE1 4.09Å
589A88.8Confident89.7Confident32 Ų3259 Ų5926%0.26429%0.287SS..Hα-helixtrans-64-52.4176.300000111.5V555 T585 Q586 T591 R592 C593V555-A589 HydrophobicContact CG1-CB 3.95Å; V555-A589 HydrophobicContact CG2-CB 4.01Å; T585-A589 PolarHBondContact O-N 2.91Å; Q586-A589 PolarHBondContact O-N 3.33Å; A589-T591 VanDerWaalsContact C-N 3.26Å; A589-T591 PolarHBondContact O-N 2.89Å; A589-R592 WeakPolarHBondContact O-CB 3.49Å; A589-R592 PolarHBondContact O-N 3.07Å; A589-C593 PolarHBondContact O-N 3.45Å
590M90.2Very high90.2Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-56.5-39.3177.6-70.6-167.3-73.400112.7V555 E567 Q586 R592 Y594 P597 L640V555-M590 HydrophobicContact CG1-CB 4.32Å; V555-M590 HydrophobicContact CG1-CG 3.83Å; E567-M590 HydrophobicContact CB-CE 3.52Å; E567-M590 HydrophobicContact CB-SD 3.63Å; E567-M590 HydrophobicContact CG-CE 4.31Å; Q586-M590 WeakPolarHBondContact O-CG 3.27Å; Q586-M590 PolarHBondContact O-N 2.95Å; M590-R592 VanDerWaalsContact C-N 3.28Å; M590-R592 PolarHBondContact O-N 3.18Å; M590-Y594 PolarHBondContact O-N 3.13Å; M590-P597 HydrophobicContact CB-CB 3.81Å; M590-L640 HydrophobicContact CE-CD1 4.47Å
591T89.8Confident90.6Very high17 Ų1749.3 Ų49.310%0.10423%0.232CC..Hα-helixtrans-72.5-20-179.3-56.30000112.8C587 A589 F637 R639C587-T591 VanDerWaalsContact O-CB 3.22Å; C587-T591 WeakPolarHBondContact O-CB 3.39Å; C587-T591 PolarHBondContact O-N 2.72Å; C587-T591 PolarHBondContact O-OG1 2.91Å; A589-T591 VanDerWaalsContact C-N 3.26Å; A589-T591 PolarHBondContact O-N 2.89Å; T591-F637 HydrophobicContact CG2-CD1 4.38Å; T591-R639 PolarHBondContact O-NH1 3.42Å; T591-R639 PolarHBondContact O-NH2 3.41Å
592R88Confident90.6Very high193 Ų19348.4 Ų48.473%0.72822%0.218SC*.Hα-helixtrans-81.1-52.7172-72.5169175.7-171.5-2.2111.3L588 A589 M590L588-R592 WeakPolarHBondContact O-CG 3.44Å; L588-R592 PolarHBondContact O-N 3.02Å; A589-R592 WeakPolarHBondContact O-CB 3.49Å; A589-R592 PolarHBondContact O-N 3.07Å; M590-R592 VanDerWaalsContact C-N 3.28Å; M590-R592 PolarHBondContact O-N 3.18Å
593C85.6Confident90.4Very high51 Ų5143.9 Ų43.935%0.34520%0.202SC..Hα-helixtrans-73.8-35.4-174-56.80000113.2A589 V673A589-C593 PolarHBondContact O-N 3.45Å; C593-V673 HydrophobicContact CB-CG1 3.9Å
594Y89.4Confident89.6Confident16 Ų1647 Ų476%0.06322%0.219CC..  trans-119.8148.1-171.1-61.9-82.2000113.7V555 I559 C565 M590 R639V555-Y594 HydrophobicContact CG1-CE2 4.23Å; I559-Y594 VanDerWaalsContact CD1-OH 3.22Å; I559-Y594 WeakPolarHBondContact CD1-OH 3.18Å; I559-Y594 HydrophobicContact CG2-CE1 4.48Å; C565-Y594 HydrophobicContact CB-CD1 3.78Å; C565-Y594 HydrophobicContact CB-CD2 3.25Å; C565-Y594 HydrophobicContact CB-CE1 4.09Å; C565-Y594 HydrophobicContact CB-CE2 3.61Å; C565-Y594 HydrophobicContact CB-CG 3.34Å; M590-Y594 PolarHBondContact O-N 3.13Å; Y594-R639 PolarHBondContact O-NH1 2.76Å
595R90.4Very high88.6Confident191 Ų19147.3 Ų47.372%0.72123%0.233SC*.SBendtrans-71.5-42.2178.5-177.5178.3171.7170.2-3.5111.9D563 P597 R639D563-R595 HydrophobicContact CB-CB 4.19Å; R595-P597 WeakPolarHBondContact O-CD 3.35Å; R595-R639 PolarHBondContact O-NH1 3.06Å
596K91.6Very high87.5Confident77 Ų7747.3 Ų47.334%0.33524%0.242SC..EExtended strand (participates in β ladder)trans-118.982.3-179-62.5164.1-180156.70110.5D563 T564 C565D563-K596 WeakPolarHBondContact O-CB 3.44Å; D563-K596 PolarHBondContact O-N 2.95Å; D563-K596 IonicContact OD1-NZ 3.41Å; D563-K596 PolarHBondContact OD1-NZ 3.45Å; D563-K596 WeakPolarHBondContact OD2-CD 3.39Å; D563-K596 WeakPolarHBondContact OD2-CE 3.43Å; D563-K596 IonicContact OD2-NZ 2.65Å; D563-K596 PolarHBondContact OD2-NZ 2.92Å; T564-K596 HydrophobicContact CG2-CB 4.39Å; T564-K596 VanDerWaalsContact OG1-CD 3.3Å; T564-K596 WeakPolarHBondContact OG1-CD 3.33Å; C565-K596 PolarHBondContact N-O 3.38Å
597P94.4Very high86.2Confident0 Ų049.3 Ų49.30%025%0.25CC..EExtended strand (participates in β ladder)trans-73.2127.2171.230-32.9000110.4M590 R595 L640 R641M590-P597 HydrophobicContact CB-CB 3.81Å; R595-P597 WeakPolarHBondContact O-CD 3.35Å; P597-L640 HydrophobicContact CB-CD1 4Å; P597-L640 HydrophobicContact CG-CD1 4.32Å; P597-R641 PolarHBondContact O-N 3.46Å; P597-R641 VanDerWaalsContact O-N 3.12Å
598L95.1Very high84.7Confident14 Ų1455.2 Ų55.27%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-113.6132.7177.8-55-176.7000110.1T564 C565 V566 E567 R641 L643 L658T564-L598 HydrophobicContact CG2-CD1 3.39Å; T564-L598 HydrophobicContact CG2-CG 3.89Å; C565-L598 WeakPolarHBondContact O-CB 3.27Å; C565-L598 PolarHBondContact O-N 3.25Å; V566-L598 WeakPolarHBondContact CA-O 3.5Å; V566-L598 HydrophobicContact CB-CB 4.48Å; V566-L598 HydrophobicContact CG1-CB 4.31Å; V566-L598 HydrophobicContact CG2-CB 4.21Å; V566-L598 HydrophobicContact CG2-CD1 4.1Å; E567-L598 PolarHBondContact N-O 3.19Å; L598-R641 WeakPolarHBondContact CA-O 3.5Å; L598-R641 HydrophobicContact CD2-CB 3.76Å; L598-R641 HydrophobicContact CD2-CG 4.39Å; L598-L643 HydrophobicContact CD1-CD1 4.02Å; L598-L658 HydrophobicContact CD1-CD1 4.43Å
599L95.2Very high83.4Confident0 Ų057.2 Ų57.20%030%0.295CS..EExtended strand (participates in β ladder)trans-105.8108.8167.3176.761.3000108.4E567 K569 L583 I601 L640 R641 I642 L643E567-L599 HydrophobicContact CB-CD1 4.31Å; E567-L599 HydrophobicContact CG-CD1 4.05Å; K569-L599 HydrophobicContact CB-CD1 4.37Å; L583-L599 HydrophobicContact CD1-CD1 4.05Å; L583-L599 HydrophobicContact CD2-CD2 4.08Å; L599-I601 HydrophobicContact CD2-CD1 4.48Å; L599-I601 HydrophobicContact CG-CG1 4.22Å; L599-L640 HydrophobicContact CB-CD1 4.24Å; L599-L640 HydrophobicContact CB-CD2 4.44Å; L599-L640 HydrophobicContact CB-CG 4.49Å; L599-R641 PolarHBondContact N-O 2.82Å; L599-I642 HydrophobicContact CB-CG1 4.45Å; L599-I642 HydrophobicContact CD2-CG1 4.44Å; L599-I642 CarbonylContact O-C 3.59Å; L599-I642 WeakPolarHBondContact O-CA 3.38Å; L599-L643 PolarHBondContact O-N 2.98Å
600L95Very high82.2Confident0 Ų058.1 Ų58.10%030%0.3CS..EExtended strand (participates in β ladder)trans-88.6118174.517071.4000109.4V566 E567 R568 K569 L643 C645 T651 F655V566-L600 HydrophobicContact CG1-CB 3.59Å; V566-L600 HydrophobicContact CG1-CD2 4.43Å; E567-L600 PolarHBondContact O-N 3.27Å; R568-L600 HydrophobicContact CB-CD2 4.03Å; R568-L600 HydrophobicContact CG-CD2 3.78Å; R568-L600 HydrophobicContact CG-CG 4.43Å; K569-L600 PolarHBondContact N-O 3.26Å; L600-L643 HydrophobicContact CD1-CB 4.24Å; L600-C645 HydrophobicContact CD1-CB 3.98Å; L600-C645 VanDerWaalsContact CD1-SG 3.55Å; L600-T651 HydrophobicContact CD1-CG2 4.02Å; L600-T651 HydrophobicContact CD2-CG2 3.37Å; L600-T651 HydrophobicContact CG-CG2 4.32Å; L600-F655 HydrophobicContact CD2-CE1 4.09Å; L600-F655 HydrophobicContact CD2-CZ 3.94Å
601I91.9Very high81.1Confident0 Ų060.3 Ų60.30%031%0.311CS..EExtended strand (participates in β ladder)trans-104.2115172.2-57.3170.4000108K569 L574 L599 F603 I642 L643 W644 C645K569-I601 WeakPolarHBondContact O-CA 3.31Å; L574-I601 HydrophobicContact CD1-CD1 4.36Å; L574-I601 HydrophobicContact CD2-CD1 3.72Å; L574-I601 HydrophobicContact CD2-CG1 4.12Å; L574-I601 HydrophobicContact CD2-CG2 3.93Å; L599-I601 HydrophobicContact CD2-CD1 4.48Å; L599-I601 HydrophobicContact CG-CG1 4.22Å; I601-F603 HydrophobicContact CG2-CE1 4.22Å; I601-I642 HydrophobicContact CD1-CG2 3.55Å; I601-I642 HydrophobicContact CG1-CG2 4.17Å; I601-L643 PolarHBondContact N-O 2.87Å; I601-W644 HydrophobicContact CB-CD2 4.42Å; I601-W644 HydrophobicContact CB-CE3 3.7Å; I601-W644 HydrophobicContact CB-CZ3 4.04Å; I601-W644 HydrophobicContact CD1-CD2 4.25Å; I601-W644 HydrophobicContact CD1-CE3 3.76Å; I601-W644 HydrophobicContact CD1-CH2 3.58Å; I601-W644 HydrophobicContact CD1-CZ2 4.03Å; I601-W644 HydrophobicContact CD1-CZ3 3.43Å; I601-W644 VanDerWaalsContact CD1-CZ3 3.43Å; I601-W644 HydrophobicContact CG1-CE3 4.31Å; I601-W644 HydrophobicContact CG1-CZ3 4.33Å; I601-W644 HydrophobicContact CG2-CE3 3.68Å; I601-W644 HydrophobicContact CG2-CZ3 3.72Å; I601-W644 WeakPolarHBondContact O-CA 3.46Å; I601-C645 PolarHBondContact O-N 3.32Å
602E86.6Confident79.9Confident18 Ų1860.8 Ų60.88%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-102.1128.2-177-164.7175102.400110.9R568 K569 T651R568-E602 IonicContact CZ-OE1 3.66Å; R568-E602 IonicContact CZ-OE2 3.25Å; R568-E602 IonicContact NE-OE1 3.76Å; R568-E602 IonicContact NE-OE2 3.71Å; R568-E602 PolarHBondContact NE-OE2 2.97Å; R568-E602 IonicContact NH2-OE1 3.52Å; R568-E602 PolarHBondContact NH2-OE1 3.2Å; R568-E602 IonicContact NH2-OE2 2.68Å; K569-E602 PolarHBondContact O-N 3.13Å; E602-T651 PolarHBondContact OE2-OG1 2.87Å
603F83.1Confident78.5Confident45 Ų4553.5 Ų53.520%0.19730%0.295CS..PPolyproline II helixtrans-93.6157.1176.9-54.8-49000111.6V571 I601 F609 W644 C645V571-F603 HydrophobicContact CG2-CD1 3.8Å; V571-F603 HydrophobicContact CG2-CE1 4.36Å; I601-F603 HydrophobicContact CG2-CE1 4.22Å; F603-F609 AromaticContact CD1-CD2 3.88Å; F603-F609 HydrophobicContact CD1-CD2 3.88Å; F603-F609 HydrophobicContact CD1-CE2 4.01Å; F603-F609 HydrophobicContact CD1-CG 4.19Å; F603-F609 HydrophobicContact CD1-CZ 4.4Å; F603-F609 AromaticContact CE1-CD1 3.99Å; F603-F609 HydrophobicContact CE1-CD1 3.99Å; F603-F609 AromaticContact CE1-CD2 3.73Å; F603-F609 HydrophobicContact CE1-CD2 3.73Å; F603-F609 AromaticContact CE1-CE1 3.75Å; F603-F609 HydrophobicContact CE1-CE1 3.75Å; F603-F609 AromaticContact CE1-CE2 3.48Å; F603-F609 HydrophobicContact CE1-CE2 3.48Å; F603-F609 VanDerWaalsContact CE1-CE2 3.48Å; F603-F609 AromaticContact CE1-CG 3.97Å; F603-F609 HydrophobicContact CE1-CG 3.97Å; F603-F609 AromaticContact CE1-CZ 3.46Å; F603-F609 HydrophobicContact CE1-CZ 3.46Å; F603-F609 VanDerWaalsContact CE1-CZ 3.46Å; F603-F609 HydrophobicContact CZ-CD1 4.14Å; F603-F609 AromaticContact CZ-CE1 3.86Å; F603-F609 HydrophobicContact CZ-CE1 3.86Å; F603-F609 HydrophobicContact CZ-CE2 4.4Å; F603-F609 HydrophobicContact CZ-CG 4.5Å; F603-F609 AromaticContact CZ-CZ 3.98Å; F603-F609 HydrophobicContact CZ-CZ 3.98Å; F603-W644 AromaticContact CE1-CE3 3.71Å; F603-W644 HydrophobicContact CE1-CE3 3.71Å; F603-W644 HydrophobicContact CE1-CZ3 4.05Å; F603-W644 HydrophobicContact CE2-CB 3.98Å; F603-W644 HydrophobicContact CE2-CE3 4.33Å; F603-W644 HydrophobicContact CZ-CB 4.12Å; F603-W644 HydrophobicContact CZ-CD2 4.13Å; F603-W644 AromaticContact CZ-CE3 3.34Å; F603-W644 HydrophobicContact CZ-CE3 3.34Å; F603-W644 HydrophobicContact CZ-CG 4.49Å; F603-W644 HydrophobicContact CZ-CZ3 4.02Å; F603-C645 WeakPolarHBondContact CB-O 3.48Å; F603-C645 WeakPolarHBondContact CD2-O 3.36Å; F603-C645 PolarHBondContact N-O 3.3Å
604D74.6Confident77.2Confident67 Ų6762.4 Ų62.436%0.35832%0.321SS..PPolyproline II helixtrans-98.4117.5167.9-179.6-16.1000108.7A606 K607D604-A606 PolarHBondContact O-N 2.8Å; D604-A606 VanDerWaalsContact O-N 3.17Å; D604-A606 WeakPolarHBondContact OD1-CB 3.49Å; D604-A606 PolarHBondContact OD1-N 3.12Å; D604-K607 HydrophobicContact CB-CB 4.36Å; D604-K607 HydrophobicContact CB-CD 4.27Å; D604-K607 HydrophobicContact CB-CG 4.12Å; D604-K607 PolarHBondContact O-N 3.17Å; D604-K607 IonicContact OD2-NZ 2.63Å; D604-K607 PolarHBondContact OD2-NZ 2.99Å
605P69.9Low75.7Confident103 Ų10366.7 Ų66.767%0.66935%0.354SS*.THydrogen-bonded Turntrans-66.5-14.9-177.428.4-35.7000113.7K607P605-K607 VanDerWaalsContact C-N 3.29Å
606A65.9Low74.2Confident87 Ų8761.6 Ų61.672%0.71934%0.341SS*.THydrogen-bonded Turntrans-81.5-4.8173.700000113.4D604D604-A606 PolarHBondContact O-N 2.8Å; D604-A606 VanDerWaalsContact O-N 3.17Å; D604-A606 WeakPolarHBondContact OD1-CB 3.49Å; D604-A606 PolarHBondContact OD1-N 3.12Å
607K63.8Low72.7Confident72 Ų7265.1 Ų65.131%0.31336%0.356SS..SBendtrans-117.7128.2-174.8-62.8-167.7178.189.10112.5P133 L134 D604 P605 F609P133-K607 VanDerWaalsContact O-CE 3.3Å; P133-K607 WeakPolarHBondContact O-CE 3.45Å; L134-K607 HydrophobicContact CD2-CD 3.86Å; D604-K607 HydrophobicContact CB-CB 4.36Å; D604-K607 HydrophobicContact CB-CD 4.27Å; D604-K607 HydrophobicContact CB-CG 4.12Å; D604-K607 PolarHBondContact O-N 3.17Å; D604-K607 IonicContact OD2-NZ 2.63Å; D604-K607 PolarHBondContact OD2-NZ 2.99Å; P605-K607 VanDerWaalsContact C-N 3.29Å; K607-F609 PolarHBondContact O-N 3.45Å; K607-F609 VanDerWaalsContact O-N 3.12Å
608P60.4Low71.2Confident125 Ų12573.8 Ų73.881%0.81239%0.389SS*.  trans-67.6111.4170.628-32.9000110.1
609F62.7Low69.7Low93 Ų9379.2 Ų79.241%0.40843%0.428SS..  trans-76.2129.3-175.3173.4-108.9000112.9V571 F603 K607 L611 W644V571-F609 HydrophobicContact CG1-CD2 4.41Å; V571-F609 HydrophobicContact CG1-CE2 4.08Å; V571-F609 HydrophobicContact CG2-CD2 4.22Å; V571-F609 HydrophobicContact CG2-CE2 4.09Å; F603-F609 AromaticContact CD1-CD2 3.88Å; F603-F609 HydrophobicContact CD1-CD2 3.88Å; F603-F609 HydrophobicContact CD1-CE2 4.01Å; F603-F609 HydrophobicContact CD1-CG 4.19Å; F603-F609 HydrophobicContact CD1-CZ 4.4Å; F603-F609 AromaticContact CE1-CD1 3.99Å; F603-F609 HydrophobicContact CE1-CD1 3.99Å; F603-F609 AromaticContact CE1-CD2 3.73Å; F603-F609 HydrophobicContact CE1-CD2 3.73Å; F603-F609 AromaticContact CE1-CE1 3.75Å; F603-F609 HydrophobicContact CE1-CE1 3.75Å; F603-F609 AromaticContact CE1-CE2 3.48Å; F603-F609 HydrophobicContact CE1-CE2 3.48Å; F603-F609 VanDerWaalsContact CE1-CE2 3.48Å; F603-F609 AromaticContact CE1-CG 3.97Å; F603-F609 HydrophobicContact CE1-CG 3.97Å; F603-F609 AromaticContact CE1-CZ 3.46Å; F603-F609 HydrophobicContact CE1-CZ 3.46Å; F603-F609 VanDerWaalsContact CE1-CZ 3.46Å; F603-F609 HydrophobicContact CZ-CD1 4.14Å; F603-F609 AromaticContact CZ-CE1 3.86Å; F603-F609 HydrophobicContact CZ-CE1 3.86Å; F603-F609 HydrophobicContact CZ-CE2 4.4Å; F603-F609 HydrophobicContact CZ-CG 4.5Å; F603-F609 AromaticContact CZ-CZ 3.98Å; F603-F609 HydrophobicContact CZ-CZ 3.98Å; K607-F609 PolarHBondContact O-N 3.45Å; K607-F609 VanDerWaalsContact O-N 3.12Å; F609-L611 HydrophobicContact CE1-CG 4.27Å; F609-L611 HydrophobicContact CE2-CD2 3.69Å; F609-L611 HydrophobicContact CE2-CG 4.03Å; F609-L611 HydrophobicContact CZ-CD1 4.21Å; F609-L611 HydrophobicContact CZ-CD2 3.54Å; F609-L611 HydrophobicContact CZ-CG 3.49Å; F609-L611 VanDerWaalsContact CZ-CG 3.49Å; F609-W644 HydrophobicContact CZ-CZ3 4.15Å
610S63.3Low68.4Low52 Ų5286.3 Ų86.336%0.36446%0.461SS..  trans-149.7136.3157.558.50000109.7T612S610-T612 VanDerWaalsContact C-N 3.27Å; S610-T612 WeakPolarHBondContact CB-O 3.42Å; S610-T612 PolarHBondContact OG-O 3.42Å
611L67.1Low67.2Low46 Ų4694 Ų9424%0.24150%0.5CS..SBendtrans-73.9-23174.7-67.5174.3000112.5F609 V626 W644F609-L611 HydrophobicContact CE1-CG 4.27Å; F609-L611 HydrophobicContact CE2-CD2 3.69Å; F609-L611 HydrophobicContact CE2-CG 4.03Å; F609-L611 HydrophobicContact CZ-CD1 4.21Å; F609-L611 HydrophobicContact CZ-CD2 3.54Å; F609-L611 HydrophobicContact CZ-CG 3.49Å; F609-L611 VanDerWaalsContact CZ-CG 3.49Å; L611-V626 HydrophobicContact CD2-CG1 4.16Å; L611-W644 HydrophobicContact CD1-CH2 4.37Å
612T63.4Low66.3Low27 Ų2795.6 Ų95.617%0.16651%0.512CS..SBendtrans-138.3132.4-178.8-28.50000106.8S610 D616S610-T612 VanDerWaalsContact C-N 3.27Å; S610-T612 WeakPolarHBondContact CB-O 3.42Å; S610-T612 PolarHBondContact OG-O 3.42Å; T612-D616 HydrophobicContact CG2-CB 3.99Å
613A59.8Low65.5Low39 Ų3999.5 Ų99.532%0.32254%0.541SS..  trans-62.2148.317400000109.8S615 D616 F617A613-S615 PolarHBondContact O-N 2.88Å; A613-D616 HydrophobicContact CB-CB 4.35Å; A613-D616 WeakPolarHBondContact CB-OD2 3.34Å; A613-D616 PolarHBondContact O-N 2.54Å; A613-F617 WeakPolarHBondContact O-CD2 3.22Å
614R58.2Low65.1Low238 Ų238101.6 Ų101.690%0.89856%0.558SS**THydrogen-bonded Turntrans-62.4-18.4-179.4-61.5-173.278.2175.14.8113.2
615S57.5Low65.4Low107 Ų107100.3 Ų100.375%0.74855%0.551SS**THydrogen-bonded Turntrans-81.6-21.4171.3490000114.8A613A613-S615 PolarHBondContact O-N 2.88Å
616D58.5Low66Low84 Ų8496.4 Ų96.445%0.44953%0.525SS..  trans-98.45.6-175.3-72-49.5000113.1T612 A613 R618T612-D616 HydrophobicContact CG2-CB 3.99Å; A613-D616 HydrophobicContact CB-CB 4.35Å; A613-D616 WeakPolarHBondContact CB-OD2 3.34Å; A613-D616 PolarHBondContact O-N 2.54Å; D616-R618 PolarHBondContact O-N 3.49Å
617F60.8Low66.9Low150 Ų15094.3 Ų94.366%0.65851%0.505SS*.  trans-7081.8164.8-80.5-91.2000110A613A613-F617 WeakPolarHBondContact O-CD2 3.22Å
618R62.6Low68Low182 Ų18292 Ų9269%0.68750%0.498SS*.  trans-65.5155.4169.4-60.7-179.5-176.7-152.7-1.4109.9D616 E620D616-R618 PolarHBondContact O-N 3.49Å; R618-E620 PolarHBondContact O-N 2.84Å
619S62.6Low69.3Low128 Ų12889 Ų8990%0.89547%0.472SS*.SBendtrans-67.6-11.4170.7480000113.6
620E68.8Low70.5Confident149 Ų14985.1 Ų85.170%0.69646%0.456SS*.SBendtrans-114.2134.9-176-64.7173.6178.300110.3R618 S622R618-E620 PolarHBondContact O-N 2.84Å; E620-S622 PolarHBondContact O-N 3.08Å
621I70.6Confident71.8Confident161 Ų16187 Ų8783%0.82647%0.465SS*.  trans-76.6104176.8-57.2173.2000108.6
622S73Confident72.9Confident34 Ų3490.3 Ų90.324%0.23848%0.483CS..  trans-84.4139.4176.4-1730000112.1E620 T624 D625 S628E620-S622 PolarHBondContact O-N 3.08Å; S622-T624 WeakPolarHBondContact CB-OG1 3.3Å; S622-T624 PolarHBondContact O-N 3.19Å; S622-T624 PolarHBondContact OG-N 3.03Å; S622-T624 PolarHBondContact OG-OG1 2.9Å; S622-D625 WeakPolarHBondContact CB-OD2 3.4Å; S622-D625 PolarHBondContact O-N 2.88Å; S622-S628 WeakPolarHBondContact O-CB 3.46Å; S622-S628 PolarHBondContact O-OG 3.33Å
623S68.9Low74.2Confident100 Ų10089.5 Ų89.570%0.69948%0.477SS*.THydrogen-bonded Turntrans-71.4-10.8172.859.90000113.3D625 K629S623-D625 VanDerWaalsContact C-N 3.27Å; S623-K629 WeakPolarHBondContact O-CE 3.37Å
624T74.9Confident75.7Confident89 Ų8990.4 Ų90.455%0.54648%0.479SS..THydrogen-bonded Turntrans-69-27.3172.748.30000113S622 K629S622-T624 WeakPolarHBondContact CB-OG1 3.3Å; S622-T624 PolarHBondContact O-N 3.19Å; S622-T624 PolarHBondContact OG-N 3.03Å; S622-T624 PolarHBondContact OG-OG1 2.9Å; T624-K629 WeakPolarHBondContact O-CE 3.29Å
625D80.1Confident77.3Confident41 Ų4185.7 Ų85.722%0.21947%0.471CS..SBendtrans-83147-155.7-57.1-11.6000112.5S622 S623 S627 S628 K629S622-D625 WeakPolarHBondContact CB-OD2 3.4Å; S622-D625 PolarHBondContact O-N 2.88Å; S623-D625 VanDerWaalsContact C-N 3.27Å; D625-S627 VanDerWaalsContact C-N 3.26Å; D625-S627 PolarHBondContact O-N 3.27Å; D625-S628 PolarHBondContact O-N 2.75Å; D625-K629 WeakPolarHBondContact O-CG 3.4Å; D625-K629 PolarHBondContact O-N 2.89Å
626V82.4Confident79Confident20 Ų2085.2 Ų85.212%0.12146%0.456CS..Hα-helixtrans-61.6-38-174.8-175.20000110.9I575 L578 L611 L630I575-V626 HydrophobicContact CG1-CG1 4.16Å; I575-V626 HydrophobicContact CG1-CG2 4.04Å; I575-V626 HydrophobicContact CG2-CG2 4.24Å; L578-V626 HydrophobicContact CD1-CG1 3.85Å; L611-V626 HydrophobicContact CD2-CG1 4.16Å; V626-L630 VanDerWaalsContact O-CB 3.25Å; V626-L630 WeakPolarHBondContact O-CB 3.35Å; V626-L630 PolarHBondContact O-N 3.24Å
627S85.2Confident80.6Confident43 Ų4381.6 Ų81.630%0.30144%0.437SS..Hα-helixtrans-60.4-54.7172.645.10000112.2D625 K629 L630 T631D625-S627 VanDerWaalsContact C-N 3.26Å; D625-S627 PolarHBondContact O-N 3.27Å; S627-K629 VanDerWaalsContact C-N 3.3Å; S627-K629 PolarHBondContact O-N 3.4Å; S627-L630 PolarHBondContact O-N 3.38Å; S627-L630 VanDerWaalsContact O-N 3.15Å; S627-T631 PolarHBondContact O-N 3.01Å; S627-T631 PolarHBondContact O-OG1 3.29Å
628S86.9Confident82.1Confident23 Ų2379 Ų7916%0.16144%0.435CS..Hα-helixtrans-60.3-37.5-179.5-53.20000112.6S622 D625 T631 L632S622-S628 WeakPolarHBondContact O-CB 3.46Å; S622-S628 PolarHBondContact O-OG 3.33Å; D625-S628 PolarHBondContact O-N 2.75Å; S628-T631 PolarHBondContact O-OG1 2.91Å; S628-T631 VanDerWaalsContact O-OG1 3.08Å; S628-L632 WeakPolarHBondContact O-CB 3.24Å; S628-L632 PolarHBondContact O-N 3.24Å
629K87.8Confident83.5Confident62 Ų6276 Ų7627%0.2742%0.424SS..Hα-helixtrans-72.9-36.2175.9-69.4-179.4174.7-172.80112.5L578 S623 T624 D625 S627 L633L578-K629 HydrophobicContact CD2-CB 4.22Å; S623-K629 WeakPolarHBondContact O-CE 3.37Å; T624-K629 WeakPolarHBondContact O-CE 3.29Å; D625-K629 WeakPolarHBondContact O-CG 3.4Å; D625-K629 PolarHBondContact O-N 2.89Å; S627-K629 VanDerWaalsContact C-N 3.3Å; S627-K629 PolarHBondContact O-N 3.4Å; K629-L633 WeakPolarHBondContact O-CB 3.31Å; K629-L633 PolarHBondContact O-N 3.21Å
630L89.3Confident85Confident13 Ų1370.5 Ų70.57%0.06838%0.384CS..Hα-helixtrans-69.3-41.3177.3-171.363000111.8V626 S627 L633 T634 I642 W644V626-L630 VanDerWaalsContact O-CB 3.25Å; V626-L630 WeakPolarHBondContact O-CB 3.35Å; V626-L630 PolarHBondContact O-N 3.24Å; S627-L630 PolarHBondContact O-N 3.38Å; S627-L630 VanDerWaalsContact O-N 3.15Å; L630-L633 PolarHBondContact O-N 3.01Å; L630-T634 PolarHBondContact O-N 3.12Å; L630-T634 PolarHBondContact O-OG1 3.42Å; L630-I642 HydrophobicContact CD1-CD1 3.86Å; L630-I642 HydrophobicContact CD2-CD1 4.44Å; L630-I642 HydrophobicContact CG-CD1 4.2Å; L630-W644 HydrophobicContact CD2-CH2 3.79Å; L630-W644 HydrophobicContact CD2-CZ2 4.06Å
631T88.9Confident86.2Confident91 Ų9170.3 Ų70.356%0.55838%0.377SS*.Hα-helixtrans-66.4-41.317653.80000112.1S627 S628 L633 T634 L635S627-T631 PolarHBondContact O-N 3.01Å; S627-T631 PolarHBondContact O-OG1 3.29Å; S628-T631 PolarHBondContact O-OG1 2.91Å; S628-T631 VanDerWaalsContact O-OG1 3.08Å; T631-L633 VanDerWaalsContact C-N 3.31Å; T631-L633 PolarHBondContact O-N 3.01Å; T631-T634 WeakPolarHBondContact CA-OG1 3.44Å; T631-T634 PolarHBondContact O-N 3.4Å; T631-T634 PolarHBondContact O-OG1 2.96Å; T631-L635 WeakPolarHBondContact O-CB 3.25Å; T631-L635 PolarHBondContact O-N 3.38Å
632L90.6Very high87.3Confident116 Ų11664.5 Ų64.561%0.60735%0.347SS*.Hα-helixtrans-59-41.1172.3-178.661.6000111.9S628 L635 H636S628-L632 WeakPolarHBondContact O-CB 3.24Å; S628-L632 PolarHBondContact O-N 3.24Å; L632-L635 PolarHBondContact O-N 3.27Å; L632-H636 PolarHBondContact O-N 3.35Å
633L91.5Very high88.3Confident9 Ų964.7 Ų64.75%0.04735%0.345CS..Hα-helixtrans-65.3-43.1177.2-172151.4000111.8L578 L583 K629 L630 T631 L635 H636 F637 L640L578-L633 HydrophobicContact CD2-CD1 3.96Å; L583-L633 HydrophobicContact CB-CD1 4.39Å; L583-L633 HydrophobicContact CD2-CD1 3.97Å; L583-L633 HydrophobicContact CG-CD1 3.89Å; K629-L633 WeakPolarHBondContact O-CB 3.31Å; K629-L633 PolarHBondContact O-N 3.21Å; L630-L633 PolarHBondContact O-N 3.01Å; T631-L633 VanDerWaalsContact C-N 3.31Å; T631-L633 PolarHBondContact O-N 3.01Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 PolarHBondContact O-N 3.16Å; L633-H636 PolarHBondContact O-N 2.84Å; L633-F637 HydrophobicContact CD2-CD2 4.15Å; L633-F637 HydrophobicContact CG-CD2 4.08Å; L633-F637 HydrophobicContact CG-CE2 4.36Å; L633-F637 WeakPolarHBondContact O-CD2 3.32Å; L633-F637 PolarHBondContact O-N 3.24Å; L633-L640 HydrophobicContact CD2-CD2 3.38Å
634T90.6Very high89.4Confident59 Ų5965.1 Ų65.136%0.36233%0.332SS..Hα-helixtrans-66.8-33175.252.10000113.3L630 T631 F637 I642L630-T634 PolarHBondContact O-N 3.12Å; L630-T634 PolarHBondContact O-OG1 3.42Å; T631-T634 WeakPolarHBondContact CA-OG1 3.44Å; T631-T634 PolarHBondContact O-N 3.4Å; T631-T634 PolarHBondContact O-OG1 2.96Å; T634-F637 CarbonylContact O-C 3.52Å; T634-I642 HydrophobicContact CG2-CD1 3.54Å; T634-I642 HydrophobicContact CG2-CG1 4.36Å
635L92.4Very high90.2Very high139 Ų13961 Ų6173%0.72831%0.307SS*.Hα-helixtrans-67-39.3175.8-176.765.5000111.2T631 L632 L633T631-L635 WeakPolarHBondContact O-CB 3.25Å; T631-L635 PolarHBondContact O-N 3.38Å; L632-L635 PolarHBondContact O-N 3.27Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 PolarHBondContact O-N 3.16Å
636H92.3Very high90.5Very high97 Ų9762.9 Ų62.945%0.44932%0.32SS..Hα-helixtrans-73.2-32.6178-170.3-88.6000113.5Y584 L632 L633 P638Y584-H636 AromaticContact CE2-CE1 3.79Å; Y584-H636 AromaticContact CE2-CG 3.86Å; Y584-H636 AromaticContact CE2-ND1 3.55Å; Y584-H636 AromaticContact CZ-CE1 3.76Å; Y584-H636 AromaticContact CZ-ND1 4Å; Y584-H636 PolarHBondContact OH-CE1 3.36Å; Y584-H636 PolarHBondContact OH-NE2 3.39Å; L632-H636 PolarHBondContact O-N 3.35Å; L633-H636 PolarHBondContact O-N 2.84Å; H636-P638 VanDerWaalsContact C-CD 3.46Å; H636-P638 WeakPolarHBondContact O-CD 3.36Å
637F93.5Very high90.7Very high8 Ų863 Ų634%0.03532%0.323CS..  trans-116.173.2-177.9-59.6-69.1000112.5Y584 C587 L588 T591 L633 T634 R639 L640Y584-F637 AromaticContact CD2-CE2 3.57Å; Y584-F637 HydrophobicContact CD2-CE2 3.57Å; Y584-F637 AromaticContact CD2-CZ 3.88Å; Y584-F637 HydrophobicContact CD2-CZ 3.88Å; Y584-F637 AromaticContact CE2-CE2 3.75Å; Y584-F637 HydrophobicContact CE2-CE2 3.75Å; Y584-F637 AromaticContact CE2-CZ 3.73Å; Y584-F637 HydrophobicContact CE2-CZ 3.73Å; Y584-F637 HydrophobicContact CG-CE2 4.28Å; Y584-F637 HydrophobicContact CG-CZ 4.39Å; C587-F637 HydrophobicContact CB-CD2 3.83Å; C587-F637 HydrophobicContact CB-CE2 3.68Å; C587-F637 HydrophobicContact CB-CG 4.37Å; C587-F637 HydrophobicContact CB-CZ 4.11Å; L588-F637 HydrophobicContact CB-CE1 4.13Å; L588-F637 HydrophobicContact CB-CZ 4Å; L588-F637 HydrophobicContact CD1-CE1 4.09Å; T591-F637 HydrophobicContact CG2-CD1 4.38Å; L633-F637 HydrophobicContact CD2-CD2 4.15Å; L633-F637 HydrophobicContact CG-CD2 4.08Å; L633-F637 HydrophobicContact CG-CE2 4.36Å; L633-F637 WeakPolarHBondContact O-CD2 3.32Å; L633-F637 PolarHBondContact O-N 3.24Å; T634-F637 CarbonylContact O-C 3.52Å; F637-R639 PolarHBondContact O-N 3.46Å; F637-L640 HydrophobicContact CB-CB 3.87Å; F637-L640 VanDerWaalsContact O-CB 3.22Å; F637-L640 WeakPolarHBondContact O-CB 3.24Å; F637-L640 PolarHBondContact O-N 2.93Å
638P91.8Very high90.8Very high95 Ų9561.9 Ų61.962%0.61731%0.314SS*.THydrogen-bonded Turntrans-65.6-11.2-175.226.7-36.3000115H636 R641H636-P638 VanDerWaalsContact C-CD 3.46Å; H636-P638 WeakPolarHBondContact O-CD 3.36Å; P638-R641 PolarHBondContact O-NH1 3.14Å
639R91.7Very high90.9Very high120 Ų12065.9 Ų65.945%0.45333%0.33SS..THydrogen-bonded Turntrans-87.1-17.4170.3-71.6-164.1-75.8129.7-5.7114T591 Y594 R595 F637T591-R639 PolarHBondContact O-NH1 3.42Å; T591-R639 PolarHBondContact O-NH2 3.41Å; Y594-R639 PolarHBondContact O-NH1 2.76Å; R595-R639 PolarHBondContact O-NH1 3.06Å; F637-R639 PolarHBondContact O-N 3.46Å
640L93.9Very high91Very high11 Ų1164.4 Ų64.46%0.05833%0.329CS..  trans-66.4140.3177.1-169.471.4000110.3M590 P597 L599 L633 F637M590-L640 HydrophobicContact CE-CD1 4.47Å; P597-L640 HydrophobicContact CB-CD1 4Å; P597-L640 HydrophobicContact CG-CD1 4.32Å; L599-L640 HydrophobicContact CB-CD1 4.24Å; L599-L640 HydrophobicContact CB-CD2 4.44Å; L599-L640 HydrophobicContact CB-CG 4.49Å; L633-L640 HydrophobicContact CD2-CD2 3.38Å; F637-L640 HydrophobicContact CB-CB 3.87Å; F637-L640 VanDerWaalsContact O-CB 3.22Å; F637-L640 WeakPolarHBondContact O-CB 3.24Å; F637-L640 PolarHBondContact O-N 2.93Å
641R94.6Very high91.1Very high145 Ų14563.8 Ų63.855%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-121.1136.1168.6-59.3-67.7173.4-98.34.9109.1P597 L598 L599 P638P597-R641 PolarHBondContact O-N 3.46Å; P597-R641 VanDerWaalsContact O-N 3.12Å; L598-R641 WeakPolarHBondContact CA-O 3.5Å; L598-R641 HydrophobicContact CD2-CB 3.76Å; L598-R641 HydrophobicContact CD2-CG 4.39Å; L599-R641 PolarHBondContact N-O 2.82Å; P638-R641 PolarHBondContact O-NH1 3.14Å
642I94.2Very high91.1Very high40 Ų4059.5 Ų59.521%0.20530%0.3CS..EExtended strand (participates in β ladder)trans-98.7128.4176.5-59.3178.4000108.1L599 I601 L630 T634 W644L599-I642 HydrophobicContact CB-CG1 4.45Å; L599-I642 HydrophobicContact CD2-CG1 4.44Å; L599-I642 CarbonylContact O-C 3.59Å; L599-I642 WeakPolarHBondContact O-CA 3.38Å; I601-I642 HydrophobicContact CD1-CG2 3.55Å; I601-I642 HydrophobicContact CG1-CG2 4.17Å; L630-I642 HydrophobicContact CD1-CD1 3.86Å; L630-I642 HydrophobicContact CD2-CD1 4.44Å; L630-I642 HydrophobicContact CG-CD1 4.2Å; T634-I642 HydrophobicContact CG2-CD1 3.54Å; T634-I642 HydrophobicContact CG2-CG1 4.36Å; I642-W644 HydrophobicContact CG2-CD2 4.09Å; I642-W644 HydrophobicContact CG2-CG 4.39Å; I642-W644 HydrophobicContact CG2-CZ2 3.99Å
643L93.9Very high91.1Very high37 Ų3758.2 Ų58.219%0.19429%0.291CS..EExtended strand (participates in β ladder)trans-110132.7171.8-61.1176.5000108.2L598 L599 L600 I601 L654 L658L598-L643 HydrophobicContact CD1-CD1 4.02Å; L599-L643 PolarHBondContact O-N 2.98Å; L600-L643 HydrophobicContact CD1-CB 4.24Å; I601-L643 PolarHBondContact N-O 2.87Å; L643-L654 HydrophobicContact CB-CD2 4.4Å; L643-L654 HydrophobicContact CD1-CD2 4.12Å; L643-L658 HydrophobicContact CD1-CD1 3.75Å
644W91.6Very high91.1Very high110 Ų11059.7 Ų59.742%0.41730%0.299SS..EExtended strand (participates in β ladder)trans-114.1121.8179.8-56.793.5000108.5I601 F603 F609 L611 L630 I642I601-W644 HydrophobicContact CB-CD2 4.42Å; I601-W644 HydrophobicContact CB-CE3 3.7Å; I601-W644 HydrophobicContact CB-CZ3 4.04Å; I601-W644 HydrophobicContact CD1-CD2 4.25Å; I601-W644 HydrophobicContact CD1-CE3 3.76Å; I601-W644 HydrophobicContact CD1-CH2 3.58Å; I601-W644 HydrophobicContact CD1-CZ2 4.03Å; I601-W644 HydrophobicContact CD1-CZ3 3.43Å; I601-W644 VanDerWaalsContact CD1-CZ3 3.43Å; I601-W644 HydrophobicContact CG1-CE3 4.31Å; I601-W644 HydrophobicContact CG1-CZ3 4.33Å; I601-W644 HydrophobicContact CG2-CE3 3.68Å; I601-W644 HydrophobicContact CG2-CZ3 3.72Å; I601-W644 WeakPolarHBondContact O-CA 3.46Å; F603-W644 AromaticContact CE1-CE3 3.71Å; F603-W644 HydrophobicContact CE1-CE3 3.71Å; F603-W644 HydrophobicContact CE1-CZ3 4.05Å; F603-W644 HydrophobicContact CE2-CB 3.98Å; F603-W644 HydrophobicContact CE2-CE3 4.33Å; F603-W644 HydrophobicContact CZ-CB 4.12Å; F603-W644 HydrophobicContact CZ-CD2 4.13Å; F603-W644 AromaticContact CZ-CE3 3.34Å; F603-W644 HydrophobicContact CZ-CE3 3.34Å; F603-W644 HydrophobicContact CZ-CG 4.49Å; F603-W644 HydrophobicContact CZ-CZ3 4.02Å; F609-W644 HydrophobicContact CZ-CZ3 4.15Å; L611-W644 HydrophobicContact CD1-CH2 4.37Å; L630-W644 HydrophobicContact CD2-CH2 3.79Å; L630-W644 HydrophobicContact CD2-CZ2 4.06Å; I642-W644 HydrophobicContact CG2-CD2 4.09Å; I642-W644 HydrophobicContact CG2-CG 4.39Å; I642-W644 HydrophobicContact CG2-CZ2 3.99Å
645C90.2Very high91.2Very high3 Ų356.9 Ų56.92%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-123.4126.4-174.3-75.50000111.9L600 I601 F603 S647 T651 L654L600-C645 HydrophobicContact CD1-CB 3.98Å; L600-C645 VanDerWaalsContact CD1-SG 3.55Å; I601-C645 PolarHBondContact O-N 3.32Å; F603-C645 WeakPolarHBondContact CB-O 3.48Å; F603-C645 WeakPolarHBondContact CD2-O 3.36Å; F603-C645 PolarHBondContact N-O 3.3Å; C645-S647 VanDerWaalsContact C-N 3.26Å; C645-S647 PolarHBondContact O-N 3.04Å; C645-T651 WeakPolarHBondContact CB-OG1 3.47Å; C645-L654 VanDerWaalsContact SG-CD2 3.58Å
646P87.8Confident90.9Very high79 Ų7952.1 Ų52.151%0.51326%0.255SS..SBendtrans-72.9-13.6-17630.3-36.3000114.6A650P646-A650 HydrophobicContact CG-CB 3.94Å
647S86.4Confident90.7Very high24 Ų2453.6 Ų53.617%0.16826%0.262CS..SBendtrans-165.5159174.363.80000110.4C645 H649 A650 T651C645-S647 VanDerWaalsContact C-N 3.26Å; C645-S647 PolarHBondContact O-N 3.04Å; S647-H649 PolarHBondContact O-N 3.04Å; S647-A650 WeakPolarHBondContact O-CB 2.88Å; S647-A650 PolarHBondContact O-N 3.17Å; S647-A650 PolarHBondContact OG-N 2.87Å; S647-T651 PolarHBondContact O-N 2.72Å; S647-T651 PolarHBondContact O-OG1 3.12Å
648P87.6Confident90.5Very high18 Ų1854.7 Ų54.712%0.11727%0.268CS..Hα-helixtrans-61.3-21.8171.523.2-33.4000113.7L537 L540 T651 A652L537-P648 WeakPolarHBondContact CD1-O 3.38Å; L540-P648 HydrophobicContact CD1-CB 3.99Å; L540-P648 HydrophobicContact CD1-CG 4.36Å; P648-T651 PolarHBondContact O-N 2.63Å; P648-A652 PolarHBondContact O-N 2.9Å
649H87.8Confident90.3Very high108 Ų10850.2 Ų50.250%0.524%0.239SC..Hα-helixtrans-67-38.2171.4-71-80.4000112.7R544 S647 E653R544-H649 PolarHBondContact NH2-O 3.08Å; S647-H649 PolarHBondContact O-N 3.04Å; H649-E653 PolarHBondContact O-N 3.46Å
650A89.9Confident90Very high30 Ų3048.9 Ų48.925%0.24824%0.24CC..Hα-helixtrans-74.1-36.2173.500000111.3P646 S647 A652 E653 L654P646-A650 HydrophobicContact CG-CB 3.94Å; S647-A650 WeakPolarHBondContact O-CB 2.88Å; S647-A650 PolarHBondContact O-N 3.17Å; S647-A650 PolarHBondContact OG-N 2.87Å; A650-A652 VanDerWaalsContact C-N 3.32Å; A650-A652 PolarHBondContact O-N 3.15Å; A650-E653 PolarHBondContact O-N 3.04Å; A650-L654 WeakPolarHBondContact O-CB 3.3Å; A650-L654 PolarHBondContact O-N 3.26Å
651T91.4Very high89.3Confident0 Ų051.7 Ų51.70%027%0.272CS..Hα-helixtrans-56.5-45.7171.2-51.80000111.6L537 L600 E602 C645 S647 P648 E653 L654 F655L537-T651 HydrophobicContact CD1-CG2 3.93Å; L537-T651 HydrophobicContact CD2-CG2 3.5Å; L537-T651 HydrophobicContact CG-CG2 4.4Å; L600-T651 HydrophobicContact CD1-CG2 4.02Å; L600-T651 HydrophobicContact CD2-CG2 3.37Å; L600-T651 HydrophobicContact CG-CG2 4.32Å; E602-T651 PolarHBondContact OE2-OG1 2.87Å; C645-T651 WeakPolarHBondContact CB-OG1 3.47Å; S647-T651 PolarHBondContact O-N 2.72Å; S647-T651 PolarHBondContact O-OG1 3.12Å; P648-T651 PolarHBondContact O-N 2.63Å; T651-E653 VanDerWaalsContact C-N 3.3Å; T651-E653 PolarHBondContact O-N 3.04Å; T651-L654 PolarHBondContact O-N 3.4Å; T651-F655 HydrophobicContact CG2-CD1 4.05Å; T651-F655 HydrophobicContact CG2-CE1 3.7Å; T651-F655 HydrophobicContact CG2-CE2 4.49Å; T651-F655 HydrophobicContact CG2-CZ 3.94Å; T651-F655 WeakPolarHBondContact O-CD1 3.36Å; T651-F655 WeakPolarHBondContact O-CG 3.42Å; T651-F655 PolarHBondContact O-N 2.86Å
652A89.8Confident89Confident1 Ų149.2 Ų49.21%0.00826%0.263CS..Hα-helixtrans-65.9-31.118000000113.4L537 L540 L541 R544 P648 A650 Q656L537-A652 HydrophobicContact CD1-CB 3.96Å; L540-A652 HydrophobicContact CB-CB 4.11Å; L541-A652 HydrophobicContact CD2-CB 3.96Å; L541-A652 HydrophobicContact CG-CB 4.44Å; R544-A652 HydrophobicContact CG-CB 4.19Å; P648-A652 PolarHBondContact O-N 2.9Å; A650-A652 VanDerWaalsContact C-N 3.32Å; A650-A652 PolarHBondContact O-N 3.15Å; A652-Q656 PolarHBondContact O-N 3.08Å
653E90.1Very high88.6Confident89 Ų8950.6 Ų50.642%0.41628%0.28SS..Hα-helixtrans-71.7-48173-165.1161.1106.400111R544 H649 A650 T651 F655 Q656 E657R544-E653 IonicContact CZ-OE2 3.9Å; R544-E653 IonicContact NH1-OE2 3.7Å; R544-E653 PolarHBondContact NH1-OE2 3.48Å; R544-E653 IonicContact NH2-OE2 2.97Å; R544-E653 PolarHBondContact NH2-OE2 3.27Å; H649-E653 PolarHBondContact O-N 3.46Å; A650-E653 PolarHBondContact O-N 3.04Å; T651-E653 VanDerWaalsContact C-N 3.3Å; T651-E653 PolarHBondContact O-N 3.04Å; E653-F655 VanDerWaalsContact C-N 3.27Å; E653-F655 PolarHBondContact O-N 3.03Å; E653-Q656 WeakPolarHBondContact O-CA 3.3Å; E653-Q656 VanDerWaalsContact O-CB 3.3Å; E653-Q656 WeakPolarHBondContact O-CB 3.39Å; E653-Q656 PolarHBondContact O-N 3.01Å; E653-E657 PolarHBondContact O-N 3.21Å
654L91.5Very high88.4Confident41 Ų4151.8 Ų51.822%0.21529%0.285CS..Hα-helixtrans-60.5-34.5176.6-178.362.1000112.5L643 C645 A650 T651 Q656 E657 L658L643-L654 HydrophobicContact CB-CD2 4.4Å; L643-L654 HydrophobicContact CD1-CD2 4.12Å; C645-L654 VanDerWaalsContact SG-CD2 3.58Å; A650-L654 WeakPolarHBondContact O-CB 3.3Å; A650-L654 PolarHBondContact O-N 3.26Å; T651-L654 PolarHBondContact O-N 3.4Å; L654-Q656 VanDerWaalsContact C-N 3.32Å; L654-E657 PolarHBondContact O-N 3.01Å; L654-L658 HydrophobicContact CD1-CD1 4.21Å; L654-L658 HydrophobicContact CD1-CG 4.05Å; L654-L658 HydrophobicContact CD2-CD1 4.46Å; L654-L658 HydrophobicContact CG-CD1 3.86Å; L654-L658 HydrophobicContact CG-CG 4.18Å; L654-L658 WeakPolarHBondContact O-CB 3.48Å; L654-L658 WeakPolarHBondContact O-CG 3.45Å; L654-L658 PolarHBondContact O-N 3.28Å
655F91.9Very high88.3Confident0 Ų047.1 Ų47.10%027%0.268CS..Hα-helixtrans-67.7-31.5174.6-81.221000112.4L537 L541 Y558 L560 V566 L600 T651 E653 K659L537-F655 HydrophobicContact CD2-CE2 4.19Å; L537-F655 HydrophobicContact CD2-CZ 4.39Å; L541-F655 HydrophobicContact CD1-CD2 3.96Å; L541-F655 HydrophobicContact CD1-CE2 4.33Å; L541-F655 HydrophobicContact CD2-CB 3.75Å; L541-F655 HydrophobicContact CD2-CD2 3.63Å; L541-F655 HydrophobicContact CD2-CG 4.08Å; L541-F655 HydrophobicContact CG-CD2 4.44Å; Y558-F655 AromaticContact CD1-CE2 3.75Å; Y558-F655 HydrophobicContact CD1-CE2 3.75Å; Y558-F655 HydrophobicContact CD2-CE2 4.25Å; Y558-F655 HydrophobicContact CD2-CZ 4.43Å; Y558-F655 HydrophobicContact CE1-CE2 4.19Å; Y558-F655 AromaticContact CG-CE2 3.81Å; Y558-F655 HydrophobicContact CG-CE2 3.81Å; Y558-F655 HydrophobicContact CG-CZ 4.34Å; L560-F655 HydrophobicContact CD1-CD1 4.27Å; L560-F655 HydrophobicContact CD1-CE1 4.49Å; L560-F655 HydrophobicContact CD1-CG 4.43Å; L560-F655 HydrophobicContact CD2-CB 4.33Å; L560-F655 HydrophobicContact CD2-CD1 4.47Å; L560-F655 HydrophobicContact CD2-CD2 3.62Å; L560-F655 HydrophobicContact CD2-CE2 3.98Å; L560-F655 HydrophobicContact CD2-CG 3.9Å; V566-F655 HydrophobicContact CB-CZ 4.46Å; V566-F655 HydrophobicContact CG1-CE1 4.48Å; V566-F655 HydrophobicContact CG1-CZ 4.16Å; V566-F655 HydrophobicContact CG2-CE1 4.49Å; V566-F655 HydrophobicContact CG2-CZ 4.26Å; L600-F655 HydrophobicContact CD2-CE1 4.09Å; L600-F655 HydrophobicContact CD2-CZ 3.94Å; T651-F655 HydrophobicContact CG2-CD1 4.05Å; T651-F655 HydrophobicContact CG2-CE1 3.7Å; T651-F655 HydrophobicContact CG2-CE2 4.49Å; T651-F655 HydrophobicContact CG2-CZ 3.94Å; T651-F655 WeakPolarHBondContact O-CD1 3.36Å; T651-F655 WeakPolarHBondContact O-CG 3.42Å; T651-F655 PolarHBondContact O-N 2.86Å; E653-F655 VanDerWaalsContact C-N 3.27Å; E653-F655 PolarHBondContact O-N 3.03Å; F655-K659 VanDerWaalsContact O-CB 3.32Å; F655-K659 WeakPolarHBondContact O-CB 3.38Å; F655-K659 PolarHBondContact O-N 3.4Å
656Q87Confident88.2Confident38 Ų3851.4 Ų51.418%0.17829%0.291CS..Hα-helixtrans-70.1-47.7173.2-171.5176.3-10.900110.5A505 A652 E653 L654 K659 L660A505-Q656 HydrophobicContact CB-CG 3.87Å; A652-Q656 PolarHBondContact O-N 3.08Å; E653-Q656 WeakPolarHBondContact O-CA 3.3Å; E653-Q656 VanDerWaalsContact O-CB 3.3Å; E653-Q656 WeakPolarHBondContact O-CB 3.39Å; E653-Q656 PolarHBondContact O-N 3.01Å; L654-Q656 VanDerWaalsContact C-N 3.32Å; Q656-K659 PolarHBondContact O-N 3.41Å; Q656-L660 PolarHBondContact O-N 3.03Å; Q656-L660 VanDerWaalsContact O-N 3.12Å
657E88.7Confident88.1Confident128 Ų12848.1 Ų48.160%0.59827%0.271SS*.Hα-helixtrans-62.8-43.7176.2-66.1-172.7150.200113.2E653 L654 K659 L660E653-E657 PolarHBondContact O-N 3.21Å; L654-E657 PolarHBondContact O-N 3.01Å; E657-K659 PolarHBondContact O-N 3.42Å; E657-K659 VanDerWaalsContact O-N 3.12Å; E657-L660 PolarHBondContact O-N 3.26Å
658L88.9Confident88.1Confident32 Ų3252.5 Ų52.517%0.16829%0.292CS..THydrogen-bonded Turntrans-64.3-14.2176.9-77.4173.3000113L560 L598 L643 L654 R662L560-L658 HydrophobicContact CD1-CB 4.29Å; L560-L658 HydrophobicContact CD1-CD1 4.2Å; L598-L658 HydrophobicContact CD1-CD1 4.43Å; L643-L658 HydrophobicContact CD1-CD1 3.75Å; L654-L658 HydrophobicContact CD1-CD1 4.21Å; L654-L658 HydrophobicContact CD1-CG 4.05Å; L654-L658 HydrophobicContact CD2-CD1 4.46Å; L654-L658 HydrophobicContact CG-CD1 3.86Å; L654-L658 HydrophobicContact CG-CG 4.18Å; L654-L658 WeakPolarHBondContact O-CB 3.48Å; L654-L658 WeakPolarHBondContact O-CG 3.45Å; L654-L658 PolarHBondContact O-N 3.28Å; L658-R662 VanDerWaalsContact O-CD 3.29Å; L658-R662 WeakPolarHBondContact O-CD 3.43Å; L658-R662 PolarHBondContact O-NE 3.29Å; L658-R662 PolarHBondContact O-NH1 3.3Å; L658-R662 PolarHBondContact O-NH2 2.88Å
659K86.9Confident87.9Confident0 Ų054 Ų540%031%0.306CS..THydrogen-bonded Turntrans-103.8-27.8-178.3-174.5158-175.4169.40114.2R525 L560 F655 Q656 E657 G661 R662 E664R525-K659 PolarHBondContact O-NZ 3.32Å; L560-K659 PolarHBondContact O-NZ 3.34Å; F655-K659 VanDerWaalsContact O-CB 3.32Å; F655-K659 WeakPolarHBondContact O-CB 3.38Å; F655-K659 PolarHBondContact O-N 3.4Å; Q656-K659 PolarHBondContact O-N 3.41Å; E657-K659 PolarHBondContact O-N 3.42Å; E657-K659 VanDerWaalsContact O-N 3.12Å; K659-G661 PolarHBondContact O-N 3.38Å; K659-G661 VanDerWaalsContact O-N 3.17Å; K659-R662 WeakPolarHBondContact O-CB 3.49Å; K659-R662 PolarHBondContact O-N 3.43Å; K659-E664 VanDerWaalsContact CE-CD 3.48Å; K659-E664 WeakPolarHBondContact CE-OE1 2.89Å; K659-E664 WeakPolarHBondContact CE-OE2 3.42Å; K659-E664 VanDerWaalsContact NZ-CD 3.27Å; K659-E664 IonicContact NZ-OE1 2.67Å; K659-E664 PolarHBondContact NZ-OE1 2.82Å; K659-E664 IonicContact NZ-OE2 3.1Å; K659-E664 PolarHBondContact NZ-OE2 2.96Å
660L85.1Confident87.5Confident92 Ų9249.2 Ų49.248%0.48229%0.285SS..THydrogen-bonded Turntrans-41.5119178.5175.162.9000112.2A505 Q656 E657 R662A505-L660 VanDerWaalsContact O-CD1 3.24Å; A505-L660 WeakPolarHBondContact O-CD1 3.41Å; Q656-L660 PolarHBondContact O-N 3.03Å; Q656-L660 VanDerWaalsContact O-N 3.12Å; E657-L660 PolarHBondContact O-N 3.26Å; L660-R662 PolarHBondContact O-N 2.97Å
661G80.8Confident87.2Confident70 Ų7051.9 Ų51.972%0.72229%0.293SS*.THydrogen-bonded Turntrans70.623.5176.200000115.7N506 K659N506-G661 PolarHBondContact OD1-N 2.69Å; K659-G661 PolarHBondContact O-N 3.38Å; K659-G661 VanDerWaalsContact O-N 3.17Å
662R86.5Confident86.5Confident94 Ų9454.6 Ų54.636%0.35532%0.315SS..SBendtrans-114.3162.6175.4-56.1-171.5-174.1170.613112.4T561 L658 K659 L660T561-R662 HydrophobicContact CG2-CB 3.65Å; T561-R662 HydrophobicContact CG2-CG 4.39Å; L658-R662 VanDerWaalsContact O-CD 3.29Å; L658-R662 WeakPolarHBondContact O-CD 3.43Å; L658-R662 PolarHBondContact O-NE 3.29Å; L658-R662 PolarHBondContact O-NH1 3.3Å; L658-R662 PolarHBondContact O-NH2 2.88Å; K659-R662 WeakPolarHBondContact O-CB 3.49Å; K659-R662 PolarHBondContact O-N 3.43Å; L660-R662 PolarHBondContact O-N 2.97Å
663A87.3Confident85.7Confident69 Ų6957.5 Ų57.557%0.5733%0.332SS*.PPolyproline II helixtrans-65.4139.7174.900000112T561 P562T561-A663 WeakPolarHBondContact CG2-O 3.49Å; P562-A663 WeakPolarHBondContact CD-O 3.48Å
664E88.4Confident84.4Confident62 Ų6253.7 Ų53.729%0.2932%0.315SS..PPolyproline II helixtrans-66.2144.3174.4-65-65.313700111.4S524 R525 P562 K659S524-E664 VanDerWaalsContact CA-OE1 3.32Å; S524-E664 WeakPolarHBondContact CA-OE1 3.44Å; S524-E664 WeakPolarHBondContact CA-OE2 3.42Å; S524-E664 VanDerWaalsContact CB-OE1 3.25Å; S524-E664 WeakPolarHBondContact CB-OE1 3.16Å; S524-E664 PolarHBondContact OG-OE1 3.13Å; R525-E664 PolarHBondContact N-OE2 2.8Å; P562-E664 WeakPolarHBondContact CD-O 3.49Å; P562-E664 VanDerWaalsContact CG-O 3.3Å; P562-E664 WeakPolarHBondContact CG-O 3.35Å; K659-E664 VanDerWaalsContact CE-CD 3.48Å; K659-E664 WeakPolarHBondContact CE-OE1 2.89Å; K659-E664 WeakPolarHBondContact CE-OE2 3.42Å; K659-E664 VanDerWaalsContact NZ-CD 3.27Å; K659-E664 IonicContact NZ-OE1 2.67Å; K659-E664 PolarHBondContact NZ-OE1 2.82Å; K659-E664 IonicContact NZ-OE2 3.1Å; K659-E664 PolarHBondContact NZ-OE2 2.96Å
665P89.8Confident82.9Confident11 Ų1154.8 Ų54.87%0.07133%0.33CS..PPolyproline II helixtrans-77.5156.4173.535.1-35.2000111.4R525 I527 I559R525-P665 WeakPolarHBondContact O-CD 3.48Å; R525-P665 VanDerWaalsContact O-CG 3.29Å; R525-P665 WeakPolarHBondContact O-CG 3.47Å; I527-P665 HydrophobicContact CD1-CB 3.81Å; I527-P665 HydrophobicContact CD1-CG 4.24Å; I527-P665 HydrophobicContact CG1-CB 4.24Å; I527-P665 HydrophobicContact CG1-CG 4.11Å; I559-P665 HydrophobicContact CG2-CB 4.05Å
666D89.1Confident81Confident94 Ų9463.2 Ų63.250%0.50337%0.37SS..  trans-117135.9178.7177.230.5000111.1I527 A669 A670I527-D666 WeakPolarHBondContact CD1-O 3.38Å; D666-A669 HydrophobicContact CB-CB 4.15Å; D666-A670 WeakPolarHBondContact O-CB 3.24Å; D666-A670 PolarHBondContact O-N 3.25Å; D666-A670 VanDerWaalsContact O-N 3.14Å
667A85.5Confident79.3Confident9 Ų965 Ų657%0.07439%0.386CS..Hα-helixtrans-77.4-39-170.300000112.9E549 V551 A670 Q671E549-A667 HydrophobicContact CG-CB 4Å; V551-A667 HydrophobicContact CG2-CB 4.23Å; A667-A670 PolarHBondContact O-N 3.4Å; A667-Q671 WeakPolarHBondContact O-CG 3.11Å; A667-Q671 PolarHBondContact O-N 3.2Å
668D85.9Confident77.2Confident117 Ų11763.6 Ų63.663%0.62638%0.383SS*.Hα-helixtrans-71.7-42.6-179.2-67-19.5000110.2A670 Q671 A672D668-A670 VanDerWaalsContact C-N 3.35Å; D668-A670 PolarHBondContact O-N 3.39Å; D668-Q671 PolarHBondContact O-N 2.73Å; D668-A672 WeakPolarHBondContact O-CB 3.14Å; D668-A672 PolarHBondContact O-N 3.01Å
669A82.8Confident74.9Confident50 Ų5067.4 Ų67.441%0.41342%0.419SS..Hα-helixtrans-59.8-41.6171.700000112.6D666 A672 V673D666-A669 HydrophobicContact CB-CB 4.15Å; A669-A672 PolarHBondContact O-N 3.34Å; A669-V673 WeakPolarHBondContact O-CG2 3.48Å; A669-V673 PolarHBondContact O-N 2.6Å; A669-V673 VanDerWaalsContact O-N 3.08Å
670A81.3Confident73Confident7 Ų770.3 Ų70.36%0.05844%0.443CS..Hα-helixtrans-63.2-40.5176.700000112.5I527 L553 I559 D666 A667 D668 T674I527-A670 HydrophobicContact CD1-CB 3.78Å; L553-A670 HydrophobicContact CD2-CB 4.25Å; I559-A670 HydrophobicContact CD1-CB 3.55Å; D666-A670 WeakPolarHBondContact O-CB 3.24Å; D666-A670 PolarHBondContact O-N 3.25Å; D666-A670 VanDerWaalsContact O-N 3.14Å; A667-A670 PolarHBondContact O-N 3.4Å; D668-A670 VanDerWaalsContact C-N 3.35Å; D668-A670 PolarHBondContact O-N 3.39Å; A670-T674 PolarHBondContact O-N 3.19Å; A670-T674 PolarHBondContact O-OG1 2.95Å
671Q81.9Confident71.4Confident86 Ų8668.2 Ų68.240%0.40244%0.444SS..Hα-helixtrans-64.8-49.4175-72.7175.861.800111.4V551 A667 D668 V673 T674 A675V551-Q671 HydrophobicContact CG1-CG 3.46Å; V551-Q671 VanDerWaalsContact CG1-CG 3.46Å; A667-Q671 WeakPolarHBondContact O-CG 3.11Å; A667-Q671 PolarHBondContact O-N 3.2Å; D668-Q671 PolarHBondContact O-N 2.73Å; Q671-V673 PolarHBondContact O-N 3.41Å; Q671-T674 CarbonylContact O-C 3.56Å; Q671-T674 WeakPolarHBondContact O-CA 3.22Å; Q671-T674 PolarHBondContact O-N 2.9Å; Q671-T674 PolarHBondContact O-OG1 2.97Å; Q671-A675 PolarHBondContact O-N 3.49Å; Q671-A675 VanDerWaalsContact O-N 3.07Å
672A78.6Confident69.7Low56 Ų5674.8 Ų74.846%0.46346%0.456SS..Hα-helixtrans-56.7-46-179.300000112.7D668 A669 T674 A675 E676D668-A672 WeakPolarHBondContact O-CB 3.14Å; D668-A672 PolarHBondContact O-N 3.01Å; A669-A672 PolarHBondContact O-N 3.34Å; A672-T674 PolarHBondContact O-N 3.12Å; A672-T674 VanDerWaalsContact O-N 3.14Å; A672-A675 PolarHBondContact O-N 3.32Å; A672-E676 PolarHBondContact O-N 3.29Å
673V72.9Confident67.8Low62 Ų6272.9 Ų72.938%0.37646%0.457SS..Hα-helixtrans-60.8-23.1176.4169.80000112.7C593 A669 Q671C593-V673 HydrophobicContact CB-CG1 3.9Å; A669-V673 WeakPolarHBondContact O-CG2 3.48Å; A669-V673 PolarHBondContact O-N 2.6Å; A669-V673 VanDerWaalsContact O-N 3.08Å; Q671-V673 PolarHBondContact O-N 3.41Å
674T61.6Low66Low9 Ų973 Ų736%0.05546%0.457CS..Hα-helixtrans-94.1-11.2174.363.10000114.9Q554 V555 A670 Q671 A672 S677Q554-T674 HydrophobicContact CB-CG2 4.24Å; V555-T674 HydrophobicContact CB-CG2 4.44Å; A670-T674 PolarHBondContact O-N 3.19Å; A670-T674 PolarHBondContact O-OG1 2.95Å; Q671-T674 CarbonylContact O-C 3.56Å; Q671-T674 WeakPolarHBondContact O-CA 3.22Å; Q671-T674 PolarHBondContact O-N 2.9Å; Q671-T674 PolarHBondContact O-OG1 2.97Å; A672-T674 PolarHBondContact O-N 3.12Å; A672-T674 VanDerWaalsContact O-N 3.14Å; T674-S677 PolarHBondContact O-OG 3.14Å
675A59.3Low64.2Low65 Ų6578 Ų7854%0.53749%0.487SS..Hα-helixtrans-82.4-36.7176.400000112.3Q671 A672 S677 D678Q671-A675 PolarHBondContact O-N 3.49Å; Q671-A675 VanDerWaalsContact O-N 3.07Å; A672-A675 PolarHBondContact O-N 3.32Å; A675-S677 PolarHBondContact O-N 3.12Å; A675-D678 PolarHBondContact O-N 3.09Å
676E53.3Low62.5Low177 Ų17784.4 Ų84.483%0.82752%0.519SS*.THydrogen-bonded Turntrans-60.5-17.5-178.3-66.5-169.3157.900114.4A672A672-E676 PolarHBondContact O-N 3.29Å
677S50.2Low61Low75 Ų7586.6 Ų86.652%0.52452%0.522SS..THydrogen-bonded Turntrans-74-20.5173.9300000115.1T674 A675T674-S677 PolarHBondContact O-OG 3.14Å; A675-S677 PolarHBondContact O-N 3.12Å
678D44.9Very low60Low98 Ų9891.4 Ų91.452%0.52455%0.546SS..  trans-12163.5-169.9-95-46.6000113.5A675 A680 G681A675-D678 PolarHBondContact O-N 3.09Å; D678-A680 PolarHBondContact O-N 3.19Å; D678-G681 PolarHBondContact O-N 2.71Å
679A41.4Very low59.6Low113 Ų11390.4 Ų90.493%0.93455%0.546SS*.THydrogen-bonded Turntrans-67.836.2168.500000114
680A47.3Very low59.4Low61 Ų6189.9 Ų89.950%0.50455%0.546SS..THydrogen-bonded Turntrans-148.9-0.7-174.100000115D678 R707D678-A680 PolarHBondContact O-N 3.19Å; A680-R707 PolarHBondContact O-NH2 2.87Å
681G51.2Low59.4Low48 Ų4891.9 Ų91.950%0.49556%0.558SS.*  trans-86.7-21.1-160.100000119.3D678 S683D678-G681 PolarHBondContact O-N 2.71Å; G681-S683 PolarHBondContact O-N 3.14Å
682E43.8Very low59.3Low207 Ų20789.8 Ų89.897%0.96755%0.547SS*.THydrogen-bonded Turntrans-75.928-164.7-59.8-170.2136.300116.6
683S46.5Very low59.4Low55 Ų5591.7 Ų91.739%0.38555%0.549SS..THydrogen-bonded Turntrans-143.933.6178.486.40000114.6G681G681-S683 PolarHBondContact O-N 3.14Å
684A49.7Very low60Low70 Ų7094.5 Ų94.558%0.57956%0.556SS**SBendtrans-81.6-39.4174.100000112.7L686A684-L686 VanDerWaalsContact C-N 3.3Å; A684-L686 PolarHBondContact O-N 3.47Å
685D52.3Low61.1Low169 Ų16994.5 Ų94.590%0.90456%0.556SS**THydrogen-bonded Turntrans-74.7-14-166.1-58.1-34.3000115.2
686L53.8Low62.3Low145 Ų14595.8 Ų95.876%0.75955%0.552SS**THydrogen-bonded Turntrans-83.2-9.5-178-87.7156.9000114.2A684A684-L686 VanDerWaalsContact C-N 3.3Å; A684-L686 PolarHBondContact O-N 3.47Å
687Y56.7Low63.9Low140 Ų14094.4 Ų94.455%0.54954%0.544SS..SBendtrans-146.5155.2-174.8-59.6-92.9000113.1Y692Y687-Y692 VanDerWaalsContact CB-CE2 3.42Å; Y687-Y692 WeakPolarHBondContact CB-OH 3.19Å; Y687-Y692 VanDerWaalsContact CD1-OH 3.32Å; Y687-Y692 WeakPolarHBondContact CD1-OH 3.45Å; Y687-Y692 WeakPolarHBondContact CD2-OH 3.47Å; Y687-Y692 HydrophobicContact CG-CE2 4.22Å; Y687-Y692 AromaticContact CG-CZ 3.98Å
688N65.7Low65.7Low110 Ų11091.3 Ų91.359%0.58852%0.521SS*.  trans-61.2122.3176.4177.9-10.5000111G690 P691 Y692N688-G690 VanDerWaalsContact C-N 3.34Å; N688-G690 PolarHBondContact O-N 3.04Å; N688-G690 PolarHBondContact OD1-N 3Å; N688-P691 WeakPolarHBondContact O-CD 3.4Å; N688-Y692 WeakPolarHBondContact O-CD2 3.4Å; N688-Y692 VanDerWaalsContact O-CE2 3.3Å; N688-Y692 WeakPolarHBondContact O-CE2 3.3Å
689P75.8Confident67.7Low95 Ų9589 Ų8962%0.61751%0.511SS*.Hα-helixtrans-67.7-27.8-175.725.7-34.8000114.1Y692 D693P689-Y692 PolarHBondContact O-N 2.84Å; P689-Y692 VanDerWaalsContact O-N 3.11Å; P689-D693 PolarHBondContact O-N 3.01Å
690G80.3Confident69.7Low40 Ų4084.3 Ų84.341%0.41247%0.474SS..Hα-helixtrans-55.7-51.5-173.900000114.3N688 Y692 D693 F694N688-G690 VanDerWaalsContact C-N 3.34Å; N688-G690 PolarHBondContact O-N 3.04Å; N688-G690 PolarHBondContact OD1-N 3Å; G690-Y692 PolarHBondContact O-N 2.62Å; G690-D693 PolarHBondContact O-N 2.97Å; G690-F694 PolarHBondContact O-N 2.83Å; G690-F694 VanDerWaalsContact O-N 3.08Å
691P81.3Confident71.6Confident49 Ų4982 Ų8232%0.31845%0.454SS..Hα-helixtrans-56-39.3172.6-30.836.8000115N688 F694 L695 V716N688-P691 WeakPolarHBondContact O-CD 3.4Å; P691-F694 PolarHBondContact O-N 3.45Å; P691-L695 WeakPolarHBondContact O-CB 3.15Å; P691-L695 VanDerWaalsContact O-CG 3.24Å; P691-L695 WeakPolarHBondContact O-CG 3.19Å; P691-L695 PolarHBondContact O-N 3Å; P691-V716 HydrophobicContact CB-CG2 4.38Å
692Y78.6Confident73.1Confident41 Ų4184 Ų8416%0.16145%0.452CS..Hα-helixtrans-67.5-43.5177-62.5-86.5000111.6Y687 N688 P689 G690 F694 L695 M696 Y706 V710Y687-Y692 VanDerWaalsContact CB-CE2 3.42Å; Y687-Y692 WeakPolarHBondContact CB-OH 3.19Å; Y687-Y692 VanDerWaalsContact CD1-OH 3.32Å; Y687-Y692 WeakPolarHBondContact CD1-OH 3.45Å; Y687-Y692 WeakPolarHBondContact CD2-OH 3.47Å; Y687-Y692 HydrophobicContact CG-CE2 4.22Å; Y687-Y692 AromaticContact CG-CZ 3.98Å; N688-Y692 WeakPolarHBondContact O-CD2 3.4Å; N688-Y692 VanDerWaalsContact O-CE2 3.3Å; N688-Y692 WeakPolarHBondContact O-CE2 3.3Å; P689-Y692 PolarHBondContact O-N 2.84Å; P689-Y692 VanDerWaalsContact O-N 3.11Å; G690-Y692 PolarHBondContact O-N 2.62Å; Y692-F694 PolarHBondContact O-N 3.35Å; Y692-L695 PolarHBondContact O-N 2.82Å; Y692-M696 WeakPolarHBondContact O-CB 3.46Å; Y692-M696 WeakPolarHBondContact O-CG 3.29Å; Y692-M696 PolarHBondContact O-N 3.47Å; Y692-Y706 AromaticContact CD1-CD2 3.76Å; Y692-Y706 HydrophobicContact CD1-CD2 3.76Å; Y692-Y706 AromaticContact CD1-CE2 3.58Å; Y692-Y706 HydrophobicContact CD1-CE2 3.58Å; Y692-Y706 HydrophobicContact CE1-CD2 4.12Å; Y692-Y706 AromaticContact CE1-CE2 3.85Å; Y692-Y706 HydrophobicContact CE1-CE2 3.85Å; Y692-V710 HydrophobicContact CD1-CG2 4.34Å; Y692-V710 HydrophobicContact CE1-CB 4.32Å; Y692-V710 HydrophobicContact CE1-CG1 3.91Å; Y692-V710 HydrophobicContact CE1-CG2 3.86Å; Y692-V710 WeakPolarHBondContact OH-CG1 3.31Å
693D81.4Confident74.9Confident97 Ų9777.6 Ų77.652%0.51944%0.436SS..Hα-helixtrans-61-26.3176.7-12260.1000112P689 G690 K697P689-D693 PolarHBondContact O-N 3.01Å; G690-D693 PolarHBondContact O-N 2.97Å; D693-K697 VanDerWaalsContact O-CD 3.24Å; D693-K697 WeakPolarHBondContact O-CD 3.47Å; D693-K697 WeakPolarHBondContact O-CE 3.21Å; D693-K697 VanDerWaalsContact O-CG 3.31Å; D693-K697 WeakPolarHBondContact O-CG 3.41Å; D693-K697 PolarHBondContact O-NZ 3.46Å; D693-K697 IonicContact OD2-NZ 3.93Å; D693-K697 PolarHBondContact OD2-NZ 3.12Å
694F84.9Confident76.5Confident120 Ų12084.5 Ų84.553%0.52646%0.459SS..Hα-helixtrans-82.3-50.5172.9-171.5-122000111.9G690 P691 Y692 M696 K697 M698 V716G690-F694 PolarHBondContact O-N 2.83Å; G690-F694 VanDerWaalsContact O-N 3.08Å; P691-F694 PolarHBondContact O-N 3.45Å; Y692-F694 PolarHBondContact O-N 3.35Å; F694-M696 PolarHBondContact O-N 2.8Å; F694-K697 PolarHBondContact O-N 3.43Å; F694-K697 VanDerWaalsContact O-N 3.09Å; F694-M698 HydrophobicContact CD1-CE 3.54Å; F694-M698 HydrophobicContact CE1-CE 3.24Å; F694-M698 HydrophobicContact CG-CE 4.43Å; F694-M698 HydrophobicContact CZ-CE 3.94Å; F694-V716 HydrophobicContact CD1-CG1 4.06Å; F694-V716 HydrophobicContact CE1-CG1 3.95Å
695L85.3Confident78.1Confident10 Ų1082 Ų825%0.05244%0.435CS..Hα-helixtrans-61.1-41.9-179.6-70.6171000112.8P691 Y692 K697 M698 V701 L709 V710 L719P691-L695 WeakPolarHBondContact O-CB 3.15Å; P691-L695 VanDerWaalsContact O-CG 3.24Å; P691-L695 WeakPolarHBondContact O-CG 3.19Å; P691-L695 PolarHBondContact O-N 3Å; Y692-L695 PolarHBondContact O-N 2.82Å; L695-K697 PolarHBondContact O-N 3.17Å; L695-K697 VanDerWaalsContact O-N 3.12Å; L695-M698 HydrophobicContact CD2-CE 4.02Å; L695-M698 HydrophobicContact CD2-SD 3.81Å; L695-M698 WeakPolarHBondContact O-CB 3.2Å; L695-M698 PolarHBondContact O-N 3.29Å; L695-V701 VanDerWaalsContact O-CB 3.27Å; L695-V701 WeakPolarHBondContact O-CB 3.49Å; L695-V701 WeakPolarHBondContact O-CG1 3.35Å; L695-L709 HydrophobicContact CD2-CD2 4.3Å; L695-V710 HydrophobicContact CD1-CG2 3.55Å; L695-L719 HydrophobicContact CD2-CD2 3.49Å; L695-L719 VanDerWaalsContact CD2-CD2 3.49Å
696M83.3Confident79.5Confident92 Ų9275 Ų7545%0.45340%0.396SS..THydrogen-bonded Turntrans-66.1-11.2177.4-70.2-165.1-173.200113.9Y692 F694 Y706Y692-M696 WeakPolarHBondContact O-CB 3.46Å; Y692-M696 WeakPolarHBondContact O-CG 3.29Å; Y692-M696 PolarHBondContact O-N 3.47Å; F694-M696 PolarHBondContact O-N 2.8Å; M696-Y706 HydrophobicContact CE-CD1 4.04Å; M696-Y706 HydrophobicContact CE-CD2 3.92Å; M696-Y706 HydrophobicContact CE-CE1 3.79Å; M696-Y706 HydrophobicContact CE-CE2 3.67Å; M696-Y706 HydrophobicContact CE-CG 4.09Å
697K87.3Confident80.9Confident148 Ų14872.7 Ų72.764%0.64338%0.378SS*.THydrogen-bonded Turntrans-99.2-2.5175.1-61.9178.2-172.3108.80112.6D693 F694 L695D693-K697 VanDerWaalsContact O-CD 3.24Å; D693-K697 WeakPolarHBondContact O-CD 3.47Å; D693-K697 WeakPolarHBondContact O-CE 3.21Å; D693-K697 VanDerWaalsContact O-CG 3.31Å; D693-K697 WeakPolarHBondContact O-CG 3.41Å; D693-K697 PolarHBondContact O-NZ 3.46Å; D693-K697 IonicContact OD2-NZ 3.93Å; D693-K697 PolarHBondContact OD2-NZ 3.12Å; F694-K697 PolarHBondContact O-N 3.43Å; F694-K697 VanDerWaalsContact O-N 3.09Å; L695-K697 PolarHBondContact O-N 3.17Å; L695-K697 VanDerWaalsContact O-N 3.12Å
698M87.4Confident82.1Confident9 Ų968 Ų684%0.04437%0.368CS..SBendtrans-80.6142.1177-65.7-174.4176.400112.3F694 L695 G700 V701 V716 L740 F743F694-M698 HydrophobicContact CD1-CE 3.54Å; F694-M698 HydrophobicContact CE1-CE 3.24Å; F694-M698 HydrophobicContact CG-CE 4.43Å; F694-M698 HydrophobicContact CZ-CE 3.94Å; L695-M698 HydrophobicContact CD2-CE 4.02Å; L695-M698 HydrophobicContact CD2-SD 3.81Å; L695-M698 WeakPolarHBondContact O-CB 3.2Å; L695-M698 PolarHBondContact O-N 3.29Å; M698-G700 PolarHBondContact O-N 2.83Å; M698-V701 HydrophobicContact CB-CG2 3.91Å; M698-V701 PolarHBondContact O-N 3.46Å; M698-V716 HydrophobicContact CE-CG1 4.15Å; M698-L740 HydrophobicContact CB-CD1 3.87Å; M698-L740 HydrophobicContact CG-CD1 4.31Å; M698-L740 HydrophobicContact SD-CD1 3.56Å; M698-L740 VanDerWaalsContact SD-CD1 3.56Å; M698-F743 HydrophobicContact CG-CE1 4.32Å
699P87.6Confident83Confident51 Ų5163 Ų6333%0.33134%0.341SS..THydrogen-bonded Turntrans-53.9134.7172.3-26.536.2000112.7V701 M739 F743P699-V701 VanDerWaalsContact C-N 3.29Å; P699-V701 PolarHBondContact O-N 2.81Å; P699-M739 HydrophobicContact CB-CB 4.1Å; P699-F743 HydrophobicContact CG-CB 4.08Å; P699-F743 HydrophobicContact CG-CD2 3.95Å; P699-F743 HydrophobicContact CG-CG 3.95Å
700G83.4Confident83.3Confident14 Ų1460.2 Ų60.214%0.14432%0.322CS..THydrogen-bonded Turntrans83.9-13.2179.400000116M698 N702 N705 N736M698-G700 PolarHBondContact O-N 2.83Å; G700-N702 PolarHBondContact O-ND2 2.82Å; G700-N705 PolarHBondContact O-ND2 2.94Å; G700-N705 VanDerWaalsContact O-ND2 3.08Å; G700-N736 WeakPolarHBondContact O-CB 3.45Å; G700-N736 PolarHBondContact O-ND2 2.78Å
701V87.3Confident83.4Confident13 Ų1368.2 Ų68.28%0.07934%0.34CS..  trans-86.6137.1176.2-173.70000110.4L695 M698 P699 L709 L740L695-V701 VanDerWaalsContact O-CB 3.27Å; L695-V701 WeakPolarHBondContact O-CB 3.49Å; L695-V701 WeakPolarHBondContact O-CG1 3.35Å; M698-V701 HydrophobicContact CB-CG2 3.91Å; M698-V701 PolarHBondContact O-N 3.46Å; P699-V701 VanDerWaalsContact C-N 3.29Å; P699-V701 PolarHBondContact O-N 2.81Å; V701-L709 HydrophobicContact CG2-CD2 4Å; V701-L740 HydrophobicContact CG2-CD1 4.44Å
702N83.8Confident83.4Confident88 Ų8867.8 Ų67.847%0.47134%0.338SS..  trans-142.3160.1-174.5-71.5-76.6000110.5G700 K704 N705 Y706 N736G700-N702 PolarHBondContact O-ND2 2.82Å; N702-K704 PolarHBondContact O-N 2.86Å; N702-N705 WeakPolarHBondContact CA-OD1 3.39Å; N702-N705 PolarHBondContact N-OD1 2.98Å; N702-N705 PolarHBondContact O-N 3.3Å; N702-N705 VanDerWaalsContact O-N 3.1Å; N702-N705 PolarHBondContact O-OD1 3.29Å; N702-Y706 PolarHBondContact O-N 3.15Å; N702-N736 PolarHBondContact ND2-ND2 3.3Å
703A80.3Confident83.4Confident74 Ų7466.5 Ų66.561%0.61234%0.336SS*.THydrogen-bonded Turntrans-55.3-14175.400000115.3Y706A703-Y706 WeakPolarHBondContact O-CD1 3.28Å; A703-Y706 WeakPolarHBondContact O-CE1 3.5Å
704K81.1Confident83.3Confident200 Ų20065.8 Ų65.887%0.8735%0.351SS*.THydrogen-bonded Turntrans-93.6-38.4175.5-65.2-173177.8-175.80114.3N702N702-K704 PolarHBondContact O-N 2.86Å
705N83.4Confident83.3Confident16 Ų1662.8 Ų62.89%0.08635%0.346CS..THydrogen-bonded Turntrans-101.2-17.6-173.666.3-3000113.9G700 N702 R707 A708 L709 L731G700-N705 PolarHBondContact O-ND2 2.94Å; G700-N705 VanDerWaalsContact O-ND2 3.08Å; N702-N705 WeakPolarHBondContact CA-OD1 3.39Å; N702-N705 PolarHBondContact N-OD1 2.98Å; N702-N705 PolarHBondContact O-N 3.3Å; N702-N705 VanDerWaalsContact O-N 3.1Å; N702-N705 PolarHBondContact O-OD1 3.29Å; N705-R707 PolarHBondContact O-N 2.71Å; N705-A708 PolarHBondContact O-N 3.32Å; N705-L709 PolarHBondContact O-N 3.01Å; N705-L731 HydrophobicContact CB-CD2 4.22Å; N705-L731 WeakPolarHBondContact ND2-CD2 3.22Å
706Y81.8Confident83.2Confident23 Ų2364.5 Ų64.59%0.0936%0.356CS..Hα-helixtrans-57.2-34.7178.488.6-82.4000113Y692 M696 N702 A703 A708 L709 V710Y692-Y706 AromaticContact CD1-CD2 3.76Å; Y692-Y706 HydrophobicContact CD1-CD2 3.76Å; Y692-Y706 AromaticContact CD1-CE2 3.58Å; Y692-Y706 HydrophobicContact CD1-CE2 3.58Å; Y692-Y706 HydrophobicContact CE1-CD2 4.12Å; Y692-Y706 AromaticContact CE1-CE2 3.85Å; Y692-Y706 HydrophobicContact CE1-CE2 3.85Å; M696-Y706 HydrophobicContact CE-CD1 4.04Å; M696-Y706 HydrophobicContact CE-CD2 3.92Å; M696-Y706 HydrophobicContact CE-CE1 3.79Å; M696-Y706 HydrophobicContact CE-CE2 3.67Å; M696-Y706 HydrophobicContact CE-CG 4.09Å; N702-Y706 PolarHBondContact O-N 3.15Å; A703-Y706 WeakPolarHBondContact O-CD1 3.28Å; A703-Y706 WeakPolarHBondContact O-CE1 3.5Å; Y706-A708 VanDerWaalsContact C-N 3.32Å; Y706-A708 PolarHBondContact O-N 2.97Å; Y706-L709 PolarHBondContact O-N 3.42Å; Y706-V710 WeakPolarHBondContact O-CB 3.4Å; Y706-V710 VanDerWaalsContact O-CG2 3.31Å; Y706-V710 WeakPolarHBondContact O-CG2 3.5Å; Y706-V710 PolarHBondContact O-N 2.74Å
707R82.6Confident83.3Confident97 Ų9764 Ų6437%0.36637%0.366SS..Hα-helixtrans-67.1-30.9177.3-64.1-178.5177.8153-4112.9A680 N705 R711A680-R707 PolarHBondContact O-NH2 2.87Å; N705-R707 PolarHBondContact O-N 2.71Å; R707-R711 WeakPolarHBondContact O-CD 3.47Å; R707-R711 WeakPolarHBondContact O-CG 3.34Å; R707-R711 PolarHBondContact O-N 3.08Å
708A82.5Confident83.3Confident42 Ų4260.6 Ų60.635%0.34735%0.353SS..Hα-helixtrans-76.1-41.9173.800000110.6N705 Y706 V710 R711 S712 A730N705-A708 PolarHBondContact O-N 3.32Å; Y706-A708 VanDerWaalsContact C-N 3.32Å; Y706-A708 PolarHBondContact O-N 2.97Å; A708-V710 PolarHBondContact O-N 3.35Å; A708-R711 PolarHBondContact O-N 3.17Å; A708-S712 WeakPolarHBondContact O-CB 3.22Å; A708-S712 PolarHBondContact O-N 3.12Å; A708-A730 WeakPolarHBondContact CB-O 3.46Å
709L82.8Confident83.2Confident3 Ų360.4 Ų60.42%0.01635%0.352CS..Hα-helixtrans-58.2-47.4175.7-16167000112.4L695 V701 N705 Y706 S712 A713 L719 L727 A730 L731 L740L695-L709 HydrophobicContact CD2-CD2 4.3Å; V701-L709 HydrophobicContact CG2-CD2 4Å; N705-L709 PolarHBondContact O-N 3.01Å; Y706-L709 PolarHBondContact O-N 3.42Å; L709-S712 PolarHBondContact O-N 3.05Å; L709-S712 VanDerWaalsContact O-N 3.09Å; L709-S712 PolarHBondContact O-OG 3.18Å; L709-A713 PolarHBondContact O-N 3.07Å; L709-L719 HydrophobicContact CD1-CD1 3.62Å; L709-L719 HydrophobicContact CD2-CD1 4.26Å; L709-L719 HydrophobicContact CD2-CD2 4.05Å; L709-L719 HydrophobicContact CG-CD1 3.92Å; L709-L719 HydrophobicContact CG-CD2 4.44Å; L709-L727 HydrophobicContact CD1-CD2 4.33Å; L709-A730 HydrophobicContact CD1-CB 4.17Å; L709-L731 HydrophobicContact CB-CD2 4.26Å; L709-L731 HydrophobicContact CD1-CD2 3.76Å; L709-L731 HydrophobicContact CD1-CG 3.97Å; L709-L731 HydrophobicContact CD2-CD2 4.1Å; L709-L731 HydrophobicContact CG-CD2 4.26Å; L709-L740 HydrophobicContact CD1-CD2 4.46Å; L709-L740 HydrophobicContact CD2-CD2 4.23Å
710V83Confident83Confident37 Ų3759.9 Ų59.922%0.22435%0.352CS..Hα-helixtrans-72-27.9-179.8171.10000113.1Y692 L695 Y706 A708 S712Y692-V710 HydrophobicContact CD1-CG2 4.34Å; Y692-V710 HydrophobicContact CE1-CB 4.32Å; Y692-V710 HydrophobicContact CE1-CG1 3.91Å; Y692-V710 HydrophobicContact CE1-CG2 3.86Å; Y692-V710 WeakPolarHBondContact OH-CG1 3.31Å; L695-V710 HydrophobicContact CD1-CG2 3.55Å; Y706-V710 WeakPolarHBondContact O-CB 3.4Å; Y706-V710 VanDerWaalsContact O-CG2 3.31Å; Y706-V710 WeakPolarHBondContact O-CG2 3.5Å; Y706-V710 PolarHBondContact O-N 2.74Å; A708-V710 PolarHBondContact O-N 3.35Å; V710-S712 VanDerWaalsContact C-N 3.3Å
711R82.5Confident83.1Confident208 Ų20862.5 Ų62.579%0.78538%0.379SS*.Hα-helixtrans-72.9-26.3168.1-73.9172.4-167.2166.31.9112.6R707 A708R707-R711 WeakPolarHBondContact O-CD 3.47Å; R707-R711 WeakPolarHBondContact O-CG 3.34Å; R707-R711 PolarHBondContact O-N 3.08Å; A708-R711 PolarHBondContact O-N 3.17Å
712S80.4Confident83.1Confident40 Ų4064.3 Ų64.328%0.2839%0.385SS..Hα-helixtrans-80.9-30.8-173.977.80000113.2A708 L709 V710 R722A708-S712 WeakPolarHBondContact O-CB 3.22Å; A708-S712 PolarHBondContact O-N 3.12Å; L709-S712 PolarHBondContact O-N 3.05Å; L709-S712 VanDerWaalsContact O-N 3.09Å; L709-S712 PolarHBondContact O-OG 3.18Å; V710-S712 VanDerWaalsContact C-N 3.3Å; S712-R722 VanDerWaalsContact C-NH1 3.3Å; S712-R722 PolarHBondContact O-NH1 2.92Å; S712-R722 PolarHBondContact O-NH2 3Å; S712-R722 PolarHBondContact OG-NH1 2.94Å
713A79.1Confident83.3Confident15 Ų1562.5 Ų62.512%0.12438%0.379CS..  trans-130.2136-176.800000111.4L709 E718L709-A713 PolarHBondContact O-N 3.07Å; A713-E718 HydrophobicContact CB-CG 4.43Å
714G79.6Confident83.6Confident81 Ų8163.4 Ų63.484%0.83537%0.366SS*.SBendtrans-78.4-18.2178.700000114E718G714-E718 PolarHBondContact N-OE2 3.23Å
715S83.9Confident83.9Confident58 Ų5859 Ų5941%0.40635%0.353SS..  trans-143.5161.2174.977.90000114.1A717 E718 L719S715-A717 VanDerWaalsContact C-N 3.29Å; S715-A717 PolarHBondContact OG-N 3.42Å; S715-E718 PolarHBondContact N-OE2 2.98Å; S715-E718 WeakPolarHBondContact OG-CB 3.04Å; S715-E718 PolarHBondContact OG-N 3.02Å; S715-L719 PolarHBondContact O-N 3Å; S715-L719 VanDerWaalsContact O-N 3.16Å
716V84.2Confident83.9Confident46 Ų4662.7 Ų62.728%0.27937%0.369SS..Hα-helixtrans-73.3-22.7174.2-175.90000111.8P691 F694 M698 A720P691-V716 HydrophobicContact CB-CG2 4.38Å; F694-V716 HydrophobicContact CD1-CG1 4.06Å; F694-V716 HydrophobicContact CE1-CG1 3.95Å; M698-V716 HydrophobicContact CE-CG1 4.15Å; V716-A720 PolarHBondContact O-N 3.23Å
717A85.9Confident84.1Confident80 Ų8061.6 Ų61.666%0.66137%0.365SS*.Hα-helixtrans-70.2-46172.700000110.8S715 L719 A720 G721S715-A717 VanDerWaalsContact C-N 3.29Å; S715-A717 PolarHBondContact OG-N 3.42Å; A717-L719 VanDerWaalsContact C-N 3.29Å; A717-L719 PolarHBondContact O-N 3.36Å; A717-A720 WeakPolarHBondContact O-CB 3.35Å; A717-A720 PolarHBondContact O-N 2.74Å; A717-G721 PolarHBondContact O-N 2.68Å
718E85.8Confident84.3Confident77 Ų7757.9 Ų57.936%0.3636%0.355SS..Hα-helixtrans-57.7-41.1173.4-174.5-167.8173.600111.7A713 G714 S715 A720 G721 R722A713-E718 HydrophobicContact CB-CG 4.43Å; G714-E718 PolarHBondContact N-OE2 3.23Å; S715-E718 PolarHBondContact N-OE2 2.98Å; S715-E718 WeakPolarHBondContact OG-CB 3.04Å; S715-E718 PolarHBondContact OG-N 3.02Å; E718-A720 PolarHBondContact O-N 3.31Å; E718-G721 PolarHBondContact O-N 3.27Å; E718-R722 WeakPolarHBondContact O-CG 3.33Å; E718-R722 IonicContact OE1-CZ 2.73Å; E718-R722 IonicContact OE1-NE 2.81Å; E718-R722 IonicContact OE1-NH2 3.76Å; E718-R722 PolarHBondContact OE1-NH2 2.65Å
719L85.3Confident84.5Confident5 Ų559.9 Ų59.93%0.02637%0.372CS..Hα-helixtrans-56.9-30.2174.8-176.268.2000113.3L695 L709 S715 A717 L727L695-L719 HydrophobicContact CD2-CD2 3.49Å; L695-L719 VanDerWaalsContact CD2-CD2 3.49Å; L709-L719 HydrophobicContact CD1-CD1 3.62Å; L709-L719 HydrophobicContact CD2-CD1 4.26Å; L709-L719 HydrophobicContact CD2-CD2 4.05Å; L709-L719 HydrophobicContact CG-CD1 3.92Å; L709-L719 HydrophobicContact CG-CD2 4.44Å; S715-L719 PolarHBondContact O-N 3Å; S715-L719 VanDerWaalsContact O-N 3.16Å; A717-L719 VanDerWaalsContact C-N 3.29Å; A717-L719 PolarHBondContact O-N 3.36Å; L719-L727 HydrophobicContact CD1-CD2 3.47Å; L719-L727 VanDerWaalsContact CD1-CD2 3.47Å; L719-L727 HydrophobicContact CG-CD2 4.47Å
720A85.3Confident84.5Confident40 Ų4060.6 Ų60.633%0.33138%0.378SS..THydrogen-bonded Turntrans-86.2-5.5177.400000114.1V716 A717 E718 L744 H745V716-A720 PolarHBondContact O-N 3.23Å; A717-A720 WeakPolarHBondContact O-CB 3.35Å; A717-A720 PolarHBondContact O-N 2.74Å; E718-A720 PolarHBondContact O-N 3.31Å; A720-L744 HydrophobicContact CB-CD2 4.39Å; A720-H745 PolarHBondContact O-CE1 2.94Å
721G85Confident84.5Confident70 Ų7059.3 Ų59.372%0.72237%0.37SS*.THydrogen-bonded Turntrans-96.6-6.3172.200000114.4A717 E718A717-G721 PolarHBondContact O-N 2.68Å; E718-G721 PolarHBondContact O-N 3.27Å
722R86Confident84.4Confident50 Ų5052.8 Ų52.819%0.18937%0.367CS..SBendtrans-87.7146.3-170.9-74.8-175.7177.7-158.7-5.2114.1S712 E718 E726 L727S712-R722 VanDerWaalsContact C-NH1 3.3Å; S712-R722 PolarHBondContact O-NH1 2.92Å; S712-R722 PolarHBondContact O-NH2 3Å; S712-R722 PolarHBondContact OG-NH1 2.94Å; E718-R722 WeakPolarHBondContact O-CG 3.33Å; E718-R722 IonicContact OE1-CZ 2.73Å; E718-R722 IonicContact OE1-NE 2.81Å; E718-R722 IonicContact OE1-NH2 3.76Å; E718-R722 PolarHBondContact OE1-NH2 2.65Å; R722-E726 WeakPolarHBondContact CA-OE2 3.31Å; R722-E726 HydrophobicContact CB-CB 4.45Å; R722-E726 VanDerWaalsContact CB-OE2 3.23Å; R722-E726 WeakPolarHBondContact CB-OE2 3.32Å; R722-E726 VanDerWaalsContact CG-OE2 3.26Å; R722-E726 WeakPolarHBondContact CG-OE2 3.25Å; R722-L727 HydrophobicContact CB-CD2 4.34Å; R722-L727 HydrophobicContact CB-CG 4.35Å
723S88.7Confident84.8Confident50 Ų5054.2 Ų54.235%0.3537%0.372SS..  trans-67.7155.8178.277.80000112.1D725 E726 L727S723-D725 PolarHBondContact O-N 2.92Å; S723-D725 VanDerWaalsContact O-N 3.09Å; S723-E726 WeakPolarHBondContact CB-OE1 3.43Å; S723-E726 PolarHBondContact N-OE1 3.03Å; S723-E726 PolarHBondContact N-OE2 2.96Å; S723-E726 PolarHBondContact O-N 3.32Å; S723-E726 WeakPolarHBondContact OG-CG 3.39Å; S723-E726 PolarHBondContact OG-N 2.89Å; S723-E726 PolarHBondContact OG-OE1 3.18Å; S723-L727 WeakPolarHBondContact O-CG 3.44Å; S723-L727 PolarHBondContact O-N 2.89Å
724R86.6Confident85.2Confident93 Ų9355.8 Ų55.835%0.35139%0.385SS..Hα-helixtrans-56.7-28.3177.5-160-172.776.5-177.2-1.5113.1A728 H741R724-A728 WeakPolarHBondContact O-CB 3.41Å; R724-A728 PolarHBondContact O-N 2.86Å; R724-H741 HydrophobicContact CB-CB 4.41Å; R724-H741 HydrophobicContact CG-CB 3.94Å
725D86.6Confident85.6Confident108 Ų10856.4 Ų56.458%0.57837%0.369SS*.Hα-helixtrans-88.3-31-174.5-60.9-27.9000111.8S723 L727 A728 A729S723-D725 PolarHBondContact O-N 2.92Å; S723-D725 VanDerWaalsContact O-N 3.09Å; D725-L727 VanDerWaalsContact C-N 3.35Å; D725-A728 WeakPolarHBondContact O-CB 3.44Å; D725-A728 PolarHBondContact O-N 3.12Å; D725-A729 PolarHBondContact O-N 2.95Å
726E85.2Confident85.7Confident93 Ų9354.9 Ų54.944%0.43536%0.356SS..Hα-helixtrans-60.5-44.1162.3-70.8146.6-123.700111.4R722 S723 A728 A729 A730R722-E726 WeakPolarHBondContact CA-OE2 3.31Å; R722-E726 HydrophobicContact CB-CB 4.45Å; R722-E726 VanDerWaalsContact CB-OE2 3.23Å; R722-E726 WeakPolarHBondContact CB-OE2 3.32Å; R722-E726 VanDerWaalsContact CG-OE2 3.26Å; R722-E726 WeakPolarHBondContact CG-OE2 3.25Å; S723-E726 WeakPolarHBondContact CB-OE1 3.43Å; S723-E726 PolarHBondContact N-OE1 3.03Å; S723-E726 PolarHBondContact N-OE2 2.96Å; S723-E726 PolarHBondContact O-N 3.32Å; S723-E726 WeakPolarHBondContact OG-CG 3.39Å; S723-E726 PolarHBondContact OG-N 2.89Å; S723-E726 PolarHBondContact OG-OE1 3.18Å; E726-A728 VanDerWaalsContact C-N 3.28Å; E726-A728 PolarHBondContact O-N 3.48Å; E726-A729 PolarHBondContact O-N 2.94Å; E726-A730 WeakPolarHBondContact O-CB 3.47Å; E726-A730 PolarHBondContact O-N 2.88Å
727L85.6Confident85.9Confident1 Ų152.7 Ų52.71%0.00534%0.343CS..Hα-helixtrans-63.3-35174.5-66.2175.1000111.4L709 L719 R722 S723 D725 L731 A737 L740 H741L709-L727 HydrophobicContact CD1-CD2 4.33Å; L719-L727 HydrophobicContact CD1-CD2 3.47Å; L719-L727 VanDerWaalsContact CD1-CD2 3.47Å; L719-L727 HydrophobicContact CG-CD2 4.47Å; R722-L727 HydrophobicContact CB-CD2 4.34Å; R722-L727 HydrophobicContact CB-CG 4.35Å; S723-L727 WeakPolarHBondContact O-CG 3.44Å; S723-L727 PolarHBondContact O-N 2.89Å; D725-L727 VanDerWaalsContact C-N 3.35Å; L727-L731 WeakPolarHBondContact O-CB 3.35Å; L727-L731 VanDerWaalsContact O-CB 3.23Å; L727-L731 PolarHBondContact O-N 3.46Å; L727-L731 WeakPolarHBondContact O-CG 3.35Å; L727-L731 WeakPolarHBondContact O-CD1 3.4Å; L727-L731 VanDerWaalsContact O-CG 3.27Å; L727-A737 HydrophobicContact CB-CB 3.88Å; L727-A737 VanDerWaalsContact C-CB 3.48Å; L727-L740 HydrophobicContact CD2-CD2 4.2Å; L727-H741 HydrophobicContact CD1-CB 4.03Å
728A87.3Confident86Confident19 Ų1953.9 Ų53.916%0.15733%0.331CS..Hα-helixtrans-66.9-40.8175.200000112.2R724 D725 E726 G732 N733 A734 A737R724-A728 WeakPolarHBondContact O-CB 3.41Å; R724-A728 PolarHBondContact O-N 2.86Å; D725-A728 WeakPolarHBondContact O-CB 3.44Å; D725-A728 PolarHBondContact O-N 3.12Å; E726-A728 VanDerWaalsContact C-N 3.28Å; E726-A728 PolarHBondContact O-N 3.48Å; A728-G732 WeakPolarHBondContact O-CA 3.37Å; A728-G732 PolarHBondContact O-N 3.1Å; A728-N733 PolarHBondContact O-N 3.23Å; A728-A734 HydrophobicContact CB-CB 4.31Å; A728-A737 VanDerWaalsContact N-CB 3.31Å; A728-A737 HydrophobicContact CB-CB 3.87Å; A728-A737 VanDerWaalsContact CA-CB 3.46Å
729A85.1Confident86.1Confident84 Ų8455.4 Ų55.469%0.69434%0.339SS*.Hα-helixtrans-63.8-47.8172.900000111.7D725 E726 L731 G732D725-A729 PolarHBondContact O-N 2.95Å; E726-A729 PolarHBondContact O-N 2.94Å; A729-L731 PolarHBondContact O-N 3.5Å; A729-G732 PolarHBondContact O-N 2.91Å
730A82.9Confident86.3Confident18 Ų1855.1 Ų55.115%0.14934%0.337CS..Hα-helixtrans-67.4-33.7-17900000113.8A708 L709 E726A708-A730 WeakPolarHBondContact CB-O 3.46Å; L709-A730 HydrophobicContact CD1-CB 4.17Å; E726-A730 WeakPolarHBondContact O-CB 3.47Å; E726-A730 PolarHBondContact O-N 2.88Å
731L82.9Confident86.5Confident10 Ų1055.5 Ų55.55%0.05233%0.332CS..Hα-helixtrans-92-11.3-179.6-66.3168.2000114N705 L709 L727 A729 N733 N736 A737 L740N705-L731 HydrophobicContact CB-CD2 4.22Å; N705-L731 WeakPolarHBondContact ND2-CD2 3.22Å; L709-L731 HydrophobicContact CB-CD2 4.26Å; L709-L731 HydrophobicContact CD1-CD2 3.76Å; L709-L731 HydrophobicContact CD1-CG 3.97Å; L709-L731 HydrophobicContact CD2-CD2 4.1Å; L709-L731 HydrophobicContact CG-CD2 4.26Å; L727-L731 WeakPolarHBondContact O-CB 3.35Å; L727-L731 VanDerWaalsContact O-CB 3.23Å; L727-L731 PolarHBondContact O-N 3.46Å; L727-L731 WeakPolarHBondContact O-CG 3.35Å; L727-L731 WeakPolarHBondContact O-CD1 3.4Å; L727-L731 VanDerWaalsContact O-CG 3.27Å; A729-L731 PolarHBondContact O-N 3.5Å; L731-N733 PolarHBondContact O-N 2.89Å; L731-N736 HydrophobicContact CD1-CB 4.47Å; L731-A737 HydrophobicContact CD1-CB 3.99Å; L731-L740 HydrophobicContact CD1-CB 4.45Å; L731-L740 HydrophobicContact CD1-CD2 3.88Å
732G82.2Confident86.7Confident71 Ų7155.3 Ų55.373%0.73232%0.315SS*.THydrogen-bonded Turntrans65.214.6-175.300000114.8A728 A729A728-G732 WeakPolarHBondContact O-CA 3.37Å; A728-G732 PolarHBondContact O-N 3.1Å; A729-G732 PolarHBondContact O-N 2.91Å
733N88.4Confident86.8Confident69 Ų6958.2 Ų58.237%0.36933%0.329SS..  trans-158.1114.2-176.1-178.7-13.4000111.7A728 L731 N735 N736 A737A728-N733 PolarHBondContact O-N 3.23Å; L731-N733 PolarHBondContact O-N 2.89Å; N733-N735 PolarHBondContact OD1-N 3.06Å; N733-N735 WeakPolarHBondContact OD1-CB 3.36Å; N733-N735 VanDerWaalsContact C-N 3.29Å; N733-N735 PolarHBondContact O-N 3.02Å; N733-N736 HydrophobicContact CB-CB 4.2Å; N733-N736 PolarHBondContact ND2-OD1 2.99Å; N733-N736 PolarHBondContact O-N 3.49Å; N733-A737 PolarHBondContact O-N 3.28Å
734A86.7Confident86.8Confident49 Ų4958.2 Ų58.241%0.40533%0.325SS..Hα-helixtrans-63.2-26.4-178.900000114.6A728 R738A728-A734 HydrophobicContact CB-CB 4.31Å; A734-R738 WeakPolarHBondContact O-CB 3.41Å; A734-R738 PolarHBondContact O-N 3.35Å
735N87.9Confident86.8Confident93 Ų9358.4 Ų58.450%0.49733%0.33SS..Hα-helixtrans-74.2-40.1176-71.6-24.9000111.3N733 R738 M739N733-N735 PolarHBondContact OD1-N 3.06Å; N733-N735 WeakPolarHBondContact OD1-CB 3.36Å; N733-N735 VanDerWaalsContact C-N 3.29Å; N733-N735 PolarHBondContact O-N 3.02Å; N735-R738 PolarHBondContact O-N 2.84Å; N735-M739 WeakPolarHBondContact O-CG 3.15Å; N735-M739 PolarHBondContact O-N 3.35Å
736N87.3Confident86.8Confident27 Ų2759 Ų5914%0.14433%0.333CS..Hα-helixtrans-67.9-40.8176.1-69.427.1000110.9G700 N702 L731 N733 M739 L740G700-N736 WeakPolarHBondContact O-CB 3.45Å; G700-N736 PolarHBondContact O-ND2 2.78Å; N702-N736 PolarHBondContact ND2-ND2 3.3Å; L731-N736 HydrophobicContact CD1-CB 4.47Å; N733-N736 HydrophobicContact CB-CB 4.2Å; N733-N736 PolarHBondContact ND2-OD1 2.99Å; N733-N736 PolarHBondContact O-N 3.49Å; N736-M739 PolarHBondContact O-N 2.85Å; N736-L740 WeakPolarHBondContact O-CB 3.43Å; N736-L740 PolarHBondContact O-N 3.15Å
737A87.3Confident86.3Confident0 Ų058.9 Ų58.90%035%0.347CS..Hα-helixtrans-62.9-39.7174.500000112.8L727 A728 L731 N733 L740 H741L727-A737 HydrophobicContact CB-CB 3.88Å; L727-A737 VanDerWaalsContact C-CB 3.48Å; A728-A737 VanDerWaalsContact N-CB 3.31Å; A728-A737 HydrophobicContact CB-CB 3.87Å; A728-A737 VanDerWaalsContact CA-CB 3.46Å; L731-A737 HydrophobicContact CD1-CB 3.99Å; N733-A737 PolarHBondContact O-N 3.28Å; A737-L740 PolarHBondContact O-N 3.02Å; A737-H741 WeakPolarHBondContact O-CB 3.41Å; A737-H741 PolarHBondContact O-N 3.43Å
738R88.3Confident85.3Confident105 Ų10563.2 Ų63.240%0.39638%0.384SS..Hα-helixtrans-60.9-49.9171.1-172-176.3-52.2148.910.6111.6A734 N735 L740 H741 D742A734-R738 WeakPolarHBondContact O-CB 3.41Å; A734-R738 PolarHBondContact O-N 3.35Å; N735-R738 PolarHBondContact O-N 2.84Å; R738-L740 VanDerWaalsContact C-N 3.27Å; R738-L740 PolarHBondContact O-N 2.98Å; R738-H741 PolarHBondContact O-N 2.94Å; R738-D742 PolarHBondContact O-N 3.2Å; R738-D742 WeakPolarHBondContact O-CB 3.42Å; R738-D742 VanDerWaalsContact O-CB 3.24Å; R738-D742 VanDerWaalsContact CG-OD2 3.31Å; R738-D742 WeakPolarHBondContact CG-OD2 3.25Å
739M88.1Confident83.7Confident108 Ų10869.8 Ų69.853%0.53242%0.416SS..Hα-helixtrans-58.2-38.3178.2-71.617817900113P699 N735 N736 F743P699-M739 HydrophobicContact CB-CB 4.1Å; N735-M739 WeakPolarHBondContact O-CG 3.15Å; N735-M739 PolarHBondContact O-N 3.35Å; N736-M739 PolarHBondContact O-N 2.85Å; M739-F743 WeakPolarHBondContact O-CB 3.4Å; M739-F743 PolarHBondContact O-N 2.67Å; M739-F743 VanDerWaalsContact O-N 3.13Å; M739-F743 VanDerWaalsContact O-CB 3.22Å
740L88.6Confident81.8Confident0 Ų070 Ų700%041%0.409CS..Hα-helixtrans-70.4-50.8177-179.962000112M698 V701 L709 L727 L731 N736 A737 R738 F743 L744M698-L740 HydrophobicContact CB-CD1 3.87Å; M698-L740 HydrophobicContact CG-CD1 4.31Å; M698-L740 HydrophobicContact SD-CD1 3.56Å; M698-L740 VanDerWaalsContact SD-CD1 3.56Å; V701-L740 HydrophobicContact CG2-CD1 4.44Å; L709-L740 HydrophobicContact CD1-CD2 4.46Å; L709-L740 HydrophobicContact CD2-CD2 4.23Å; L727-L740 HydrophobicContact CD2-CD2 4.2Å; L731-L740 HydrophobicContact CD1-CB 4.45Å; L731-L740 HydrophobicContact CD1-CD2 3.88Å; N736-L740 WeakPolarHBondContact O-CB 3.43Å; N736-L740 PolarHBondContact O-N 3.15Å; A737-L740 PolarHBondContact O-N 3.02Å; R738-L740 VanDerWaalsContact C-N 3.27Å; R738-L740 PolarHBondContact O-N 2.98Å; L740-F743 WeakPolarHBondContact O-CB 3.21Å; L740-F743 PolarHBondContact O-N 3.36Å; L740-L744 WeakPolarHBondContact O-CG 3.18Å; L740-L744 PolarHBondContact O-N 2.85Å; L740-L744 VanDerWaalsContact O-CG 3.31Å; L740-L744 HydrophobicContact CG-CD1 3.94Å; L740-L744 HydrophobicContact CD1-CG 4.36Å; L740-L744 HydrophobicContact CD1-CD1 4.03Å
741H89Confident79.8Confident47 Ų4774.6 Ų74.622%0.21844%0.437CS..Hα-helixtrans-60.8-47.3179.1177.3-81.1000111.6R724 L727 A737 R738 F743 L744 H745R724-H741 HydrophobicContact CB-CB 4.41Å; R724-H741 HydrophobicContact CG-CB 3.94Å; L727-H741 HydrophobicContact CD1-CB 4.03Å; A737-H741 WeakPolarHBondContact O-CB 3.41Å; A737-H741 PolarHBondContact O-N 3.43Å; R738-H741 PolarHBondContact O-N 2.94Å; H741-F743 VanDerWaalsContact C-N 3.29Å; H741-F743 PolarHBondContact O-N 3.28Å; H741-L744 PolarHBondContact O-N 3Å; H741-L744 VanDerWaalsContact O-N 3.15Å; H741-H745 PolarHBondContact O-N 2.96Å; H741-H745 PolarHBondContact O-CD2 3.31Å; H741-H745 AromaticContact NE2-NE2 3.95Å; H741-H745 AromaticContact NE2-CD2 3.59Å; H741-H745 AromaticContact CG-CD2 3.78Å; H741-H745 AromaticContact CE1-CD2 3.71Å; H741-H745 AromaticContact CD2-NE2 3.84Å; H741-H745 AromaticContact CD2-CD2 3.58Å; H741-H745 AromaticContact ND1-CD2 3.86Å
742D89.4Confident77.5Confident67 Ų6777.7 Ų77.736%0.35846%0.464SS..Hα-helixtrans-61-40.2176.2-62.3-2.5000110.1R738 L744 N746R738-D742 PolarHBondContact O-N 3.2Å; R738-D742 WeakPolarHBondContact O-CB 3.42Å; R738-D742 VanDerWaalsContact O-CB 3.24Å; R738-D742 VanDerWaalsContact CG-OD2 3.31Å; R738-D742 WeakPolarHBondContact CG-OD2 3.25Å; D742-L744 PolarHBondContact O-N 3.06Å; D742-N746 WeakPolarHBondContact O-CB 3.36Å; D742-N746 PolarHBondContact O-N 2.87Å; D742-N746 PolarHBondContact O-ND2 3.36Å
743F89.4Confident75.1Confident110 Ų11078.5 Ų78.548%0.48246%0.464SS..Hα-helixtrans-64-36.5174.8174.1-100.6000113.5M698 P699 M739 L740 H741M698-F743 HydrophobicContact CG-CE1 4.32Å; P699-F743 HydrophobicContact CG-CB 4.08Å; P699-F743 HydrophobicContact CG-CD2 3.95Å; P699-F743 HydrophobicContact CG-CG 3.95Å; M739-F743 WeakPolarHBondContact O-CB 3.4Å; M739-F743 PolarHBondContact O-N 2.67Å; M739-F743 VanDerWaalsContact O-N 3.13Å; M739-F743 VanDerWaalsContact O-CB 3.22Å; L740-F743 WeakPolarHBondContact O-CB 3.21Å; L740-F743 PolarHBondContact O-N 3.36Å; H741-F743 VanDerWaalsContact C-N 3.29Å; H741-F743 PolarHBondContact O-N 3.28Å
744L87.2Confident72.4Confident51 Ų5179.5 Ų79.527%0.26748%0.481SS..Hα-helixtrans-76.1-35.5-179.9-69.1166.4000113.1A720 L740 H741 D742A720-L744 HydrophobicContact CB-CD2 4.39Å; L740-L744 WeakPolarHBondContact O-CG 3.18Å; L740-L744 PolarHBondContact O-N 2.85Å; L740-L744 VanDerWaalsContact O-CG 3.31Å; L740-L744 HydrophobicContact CG-CD1 3.94Å; L740-L744 HydrophobicContact CD1-CG 4.36Å; L740-L744 HydrophobicContact CD1-CD1 4.03Å; H741-L744 PolarHBondContact O-N 3Å; H741-L744 VanDerWaalsContact O-N 3.15Å; D742-L744 PolarHBondContact O-N 3.06Å
745H87.3Confident69.8Low97 Ų9784.9 Ų84.945%0.44950%0.498SS..Hα-helixtrans-105.2-4.6-174-60-68.6000115.1A720 H741 A747A720-H745 PolarHBondContact O-CE1 2.94Å; H741-H745 PolarHBondContact O-N 2.96Å; H741-H745 PolarHBondContact O-CD2 3.31Å; H741-H745 AromaticContact NE2-NE2 3.95Å; H741-H745 AromaticContact NE2-CD2 3.59Å; H741-H745 AromaticContact CG-CD2 3.78Å; H741-H745 AromaticContact CE1-CD2 3.71Å; H741-H745 AromaticContact CD2-NE2 3.84Å; H741-H745 AromaticContact CD2-CD2 3.58Å; H741-H745 AromaticContact ND1-CD2 3.86Å; H745-A747 PolarHBondContact O-N 3.36Å
746N86.1Confident67.1Low121 Ų12190 Ų9065%0.64752%0.516SS*.  trans-65.3106.9174-91.6-39.9000111.2D742 A748D742-N746 WeakPolarHBondContact O-CB 3.36Å; D742-N746 PolarHBondContact O-N 2.87Å; D742-N746 PolarHBondContact O-ND2 3.36Å; N746-A748 PolarHBondContact O-N 3.05Å
747A75.5Confident64.4Low89 Ų8995.7 Ų95.774%0.73654%0.541SS*.  trans-57.8128.6166.200000109.9H745 D749H745-A747 PolarHBondContact O-N 3.36Å; A747-D749 PolarHBondContact O-N 2.94Å
748A65.2Low61.7Low93 Ų93104.8 Ų104.877%0.76958%0.581SS**  trans-7765.2-178.200000111.9N746 V750N746-A748 PolarHBondContact O-N 3.05Å; A748-V750 PolarHBondContact O-N 2.82Å
749D52.5Low59Low156 Ų156107.7 Ų107.783%0.83460%0.603SS**  trans-75.179.1175.4-139.94.1000108.8A747 P751A747-D749 PolarHBondContact O-N 2.94Å; D749-P751 WeakPolarHBondContact O-CD 3.42Å
750V46.1Very low56.5Low90 Ų90108.1 Ų108.155%0.54561%0.612SS.*  trans-85104.9-177.4-174.50000109.2T180 A748 A752T180-V750 HydrophobicContact CG2-CB 4.41Å; T180-V750 HydrophobicContact CG2-CG1 3.89Å; A748-V750 PolarHBondContact O-N 2.82Å; V750-A752 PolarHBondContact O-N 3.18Å
751P41.4Very low53.8Low114 Ų114117.2 Ų117.274%0.7468%0.676SS**  trans-64.4122.8-178.326.8-34.9000110.1D749 A753D749-P751 WeakPolarHBondContact O-CD 3.42Å; P751-A753 PolarHBondContact O-N 3.08Å; P751-A753 VanDerWaalsContact O-N 3.14Å
752A34.3Very low52Low75 Ų75120.7 Ų120.762%0.6270%0.699SS**  trans-58.2120.4176.300000109.8V750 A754V750-A752 PolarHBondContact O-N 3.18Å; A752-A754 PolarHBondContact O-N 3.34Å
753A31.9Very low50.1Low88 Ų88123.5 Ų123.573%0.72772%0.716SS**  trans-62.7101.4-173.200000111.2P751 Q755P751-A753 PolarHBondContact O-N 3.08Å; P751-A753 VanDerWaalsContact O-N 3.14Å; A753-Q755 PolarHBondContact O-N 2.78Å
754A30.7Very low47.9Very low89 Ų89124.3 Ų124.374%0.73673%0.729SS**  trans-69.394.3-179.200000110.5A752 K756A752-A754 PolarHBondContact O-N 3.34Å; A754-K756 PolarHBondContact O-N 3.21Å
755Q31.8Very low45.6Very low162 Ų162128.6 Ų128.676%0.75776%0.757SS**  trans-6094.9172.3-75-177.5-31.400110.2A753 H757A753-Q755 PolarHBondContact O-N 2.78Å; Q755-H757 PolarHBondContact O-N 3.31Å
756K31.3Very low43Very low200 Ų200130.6 Ų130.687%0.8778%0.776SS**  trans-70.776.6167.9-75.6-175176.8176.20109.7A754 K758A754-K756 PolarHBondContact O-N 3.21Å; K756-K758 PolarHBondContact O-N 3.15Å
757H31.5Very low40.1Very low148 Ų148131.2 Ų131.269%0.68578%0.784SS**  trans-63.888.9161.7-87.8-79.1000109.2Q755 L759Q755-H757 PolarHBondContact O-N 3.31Å; H757-L759 PolarHBondContact O-N 2.86Å
758K29.9Very low37.6Very low190 Ų190134.2 Ų134.283%0.82679%0.788SS**  trans-67.591.6155.6-89.5-168.7169.6-171.80107.6K756 T760K756-K758 PolarHBondContact O-N 3.15Å; K758-T760 PolarHBondContact O-N 3.26Å; K758-T760 VanDerWaalsContact O-N 3.15Å
759L32.2Very low35.4Very low166 Ų166137.4 Ų137.487%0.86979%0.789SS**  trans-66.8100.5154.3-80.4157.3000107.1H757H757-L759 PolarHBondContact O-N 2.86Å
760T34.4Very low34Very low118 Ų118135.8 Ų135.872%0.72479%0.786SS**  trans-81.2129157.446.70000107.9K758K758-T760 PolarHBondContact O-N 3.26Å; K758-T760 VanDerWaalsContact O-N 3.15Å
761S32.7Very low32.9Very low190 Ų190140 Ų140100%1.32981%0.807SS**  trans-57.80169.355.50000112.3

Retrieved 761 of 761 residues in 292.9 ms (Link to these results)

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