A0A096LTV9_POEFO Loading...

BED-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LTV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 951 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
1M48.4Very low65.1Low160 Ų160104.8 Ų104.879%0.78853%0.525SS*.  0112.30-72.5-165.1-158.600108.2L3 R39M1-L3 PolarHBondContact O-N 3.05Å; M1-R39 PolarHBondContact O-NH1 3.04Å; M1-R39 VanDerWaalsContact O-NH1 3.11Å
2D57.1Low65.8Low155 Ų155103.2 Ų103.283%0.82952%0.524SS*.  trans-72.6112.2175.2-68-32.7000108.9
3L77.4Confident66.9Low16 Ų1695.3 Ų95.38%0.08448%0.484CS..EExtended strand (participates in β ladder)trans-91.8121.7178.1-64.7174.4000108M1 L19 I34 R36M1-L3 PolarHBondContact O-N 3.05Å; L3-L19 CarbonylContact C-O 3.6Å; L3-L19 WeakPolarHBondContact CA-O 3.28Å; L3-I34 HydrophobicContact CD1-CB 3.98Å; L3-I34 HydrophobicContact CD1-CG2 3.77Å; L3-I34 HydrophobicContact CD2-CB 3.94Å; L3-I34 HydrophobicContact CD2-CD1 3.73Å; L3-I34 HydrophobicContact CD2-CG1 4.31Å; L3-I34 HydrophobicContact CD2-CG2 4.21Å; L3-R36 HydrophobicContact CD1-CG 4.14Å; L3-R36 PolarHBondContact O-NH1 3.22Å; L3-R36 PolarHBondContact O-NH2 3.31Å
4I77.1Confident67.8Low45 Ų4589.9 Ų89.923%0.23145%0.454CS..EExtended strand (participates in β ladder)trans-82.6141.4177.457.2168.6000110.2G18 L19 A21 P27I4-G18 CarbonylContact O-C 3.49Å; I4-G18 WeakPolarHBondContact O-CA 3.4Å; I4-L19 HydrophobicContact CG1-CB 4.11Å; I4-L19 WeakPolarHBondContact CG1-O 3.28Å; I4-L19 PolarHBondContact N-O 2.71Å; I4-L19 PolarHBondContact O-N 2.99Å; I4-A21 HydrophobicContact CD1-CB 3.84Å; I4-A21 HydrophobicContact CG1-CB 3.99Å; I4-A21 HydrophobicContact CG2-CB 3.78Å; I4-P27 HydrophobicContact CD1-CB 3.97Å; I4-P27 HydrophobicContact CD1-CG 4.4Å
5S73.4Confident68.6Low77 Ų7790.3 Ų90.354%0.53846%0.464SS..PPolyproline II helixtrans-73.5145.4175.8-64.40000110.3P7 R36S5-P7 WeakPolarHBondContact O-CD 3.26Å; S5-R36 PolarHBondContact OG-NH2 3.38Å; S5-R36 VanDerWaalsContact OG-NH2 3.1Å
6K72.3Confident69.4Low63 Ų6386.8 Ų86.827%0.27444%0.443SS..PPolyproline II helixtrans-63.1121.7-179.5-177.7172.6178.71750110.4R8 S9 W14 L19K6-R8 PolarHBondContact O-N 2.97Å; K6-S9 PolarHBondContact O-N 3Å; K6-W14 HydrophobicContact CB-CD2 4.09Å; K6-W14 HydrophobicContact CB-CE3 3.81Å; K6-W14 HydrophobicContact CB-CH2 4.31Å; K6-W14 HydrophobicContact CB-CZ3 3.92Å; K6-W14 HydrophobicContact CD-CD2 4.26Å; K6-W14 HydrophobicContact CD-CE3 4.33Å; K6-W14 HydrophobicContact CD-CH2 3.45Å; K6-W14 VanDerWaalsContact CD-CH2 3.45Å; K6-W14 HydrophobicContact CD-CZ2 3.4Å; K6-W14 HydrophobicContact CD-CZ3 3.95Å; K6-W14 HydrophobicContact CG-CH2 4.48Å; K6-L19 HydrophobicContact CB-CD1 4.11Å; K6-L19 HydrophobicContact CG-CD1 4.25Å
7P56.7Low70.3Confident87 Ų8781.7 Ų81.757%0.56542%0.417SS*.THydrogen-bonded Turntrans-60.5136.5178.3-2030.6000111S5 S9S5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-S9 VanDerWaalsContact C-N 3.33Å; P7-S9 PolarHBondContact O-N 3.48Å
8R59.2Low71.1Confident252 Ų25277.2 Ų77.295%0.95139%0.394SS*.THydrogen-bonded Turntrans63.725.6177.2-54.5179.2176169.9-1.4115.8K6K6-R8 PolarHBondContact O-N 2.97Å
9S63.5Low71.8Confident46 Ų4673.2 Ų73.232%0.32237%0.374SS..  trans-71.5132.6172.3166.10000112.4K6 P7 S11 W14K6-S9 PolarHBondContact O-N 3Å; P7-S9 VanDerWaalsContact C-N 3.33Å; P7-S9 PolarHBondContact O-N 3.48Å; S9-S11 PolarHBondContact OG-N 2.75Å; S9-S11 PolarHBondContact OG-O 2.79Å; S9-W14 WeakPolarHBondContact OG-CB 3.48Å; S9-W14 VanDerWaalsContact OG-CG 3.25Å
10K58.5Low72.2Confident217 Ų21774.7 Ų74.794%0.94338%0.377SS*.  trans-100.9-6.3173.2-65.1-173.6178.2-176.30114.2
11S72.6Confident72.4Confident35 Ų3572.4 Ų72.425%0.24537%0.37CS..  trans-102.4126.8-173.5178.90000111.2S9 V13 W14S9-S11 PolarHBondContact OG-N 2.75Å; S9-S11 PolarHBondContact OG-O 2.79Å; S11-V13 PolarHBondContact O-N 2.83Å; S11-V13 VanDerWaalsContact OG-CG1 3.29Å; S11-V13 WeakPolarHBondContact OG-CG1 3.41Å; S11-W14 PolarHBondContact O-N 2.98Å
12V74.1Confident73.5Confident85 Ų8567.9 Ų67.952%0.51535%0.349SS..G310 helixtrans-58.9-19.9179.6-169.80000112W14 T15 L67V12-W14 PolarHBondContact O-N 3.34Å; V12-W14 VanDerWaalsContact O-N 3.13Å; V12-T15 WeakPolarHBondContact O-CB 3.35Å; V12-T15 PolarHBondContact O-N 3.1Å; V12-T15 VanDerWaalsContact O-N 3.12Å; V12-T15 PolarHBondContact O-OG1 3.39Å; V12-L67 HydrophobicContact CB-CD1 4.26Å; V12-L67 HydrophobicContact CG1-CD1 3.97Å
13V78.9Confident74Confident1 Ų170.3 Ų70.31%0.00636%0.355CS..G310 helixtrans-57.7-29.7174.979.80000112.1S11 T15 Y16 F17 T49 L52 R53 L56 L67S11-V13 PolarHBondContact O-N 2.83Å; S11-V13 VanDerWaalsContact OG-CG1 3.29Å; S11-V13 WeakPolarHBondContact OG-CG1 3.41Å; V13-T15 PolarHBondContact O-N 3.1Å; V13-Y16 PolarHBondContact O-N 2.91Å; V13-Y16 VanDerWaalsContact O-N 3.09Å; V13-F17 HydrophobicContact CG2-CD2 4.34Å; V13-F17 HydrophobicContact CG2-CE2 4.1Å; V13-F17 WeakPolarHBondContact O-CD2 3.2Å; V13-T49 HydrophobicContact CG1-CG2 3.65Å; V13-L52 HydrophobicContact CG1-CB 4.46Å; V13-L52 HydrophobicContact CG1-CD2 4.2Å; V13-L52 HydrophobicContact CG2-CB 3.87Å; V13-R53 HydrophobicContact CG2-CB 4.48Å; V13-L56 HydrophobicContact CG2-CD1 3.8Å; V13-L67 HydrophobicContact CB-CD2 4.33Å; V13-L67 HydrophobicContact CG2-CD2 4.31Å
14W80.5Confident73.3Confident19 Ų1978.6 Ų78.67%0.07239%0.391CS..G310 helixtrans-71.8-8.2-178.4-71.597000113.7K6 S9 S11 V12 Y16 F17 V33 L52K6-W14 HydrophobicContact CB-CD2 4.09Å; K6-W14 HydrophobicContact CB-CE3 3.81Å; K6-W14 HydrophobicContact CB-CH2 4.31Å; K6-W14 HydrophobicContact CB-CZ3 3.92Å; K6-W14 HydrophobicContact CD-CD2 4.26Å; K6-W14 HydrophobicContact CD-CE3 4.33Å; K6-W14 HydrophobicContact CD-CH2 3.45Å; K6-W14 VanDerWaalsContact CD-CH2 3.45Å; K6-W14 HydrophobicContact CD-CZ2 3.4Å; K6-W14 HydrophobicContact CD-CZ3 3.95Å; K6-W14 HydrophobicContact CG-CH2 4.48Å; S9-W14 WeakPolarHBondContact OG-CB 3.48Å; S9-W14 VanDerWaalsContact OG-CG 3.25Å; S11-W14 PolarHBondContact O-N 2.98Å; V12-W14 PolarHBondContact O-N 3.34Å; V12-W14 VanDerWaalsContact O-N 3.13Å; W14-Y16 PolarHBondContact O-N 3.3Å; W14-F17 HydrophobicContact CE3-CB 4.13Å; W14-F17 HydrophobicContact CZ3-CB 4.48Å; W14-F17 PolarHBondContact O-N 3.01Å; W14-V33 HydrophobicContact CH2-CB 4.33Å; W14-V33 HydrophobicContact CH2-CG1 3.35Å; W14-V33 HydrophobicContact CZ3-CB 4.06Å; W14-V33 HydrophobicContact CZ3-CG1 3.46Å; W14-V33 VanDerWaalsContact CZ3-CG1 3.46Å; W14-L52 HydrophobicContact CD2-CD2 4.13Å; W14-L52 HydrophobicContact CE3-CD2 4.2Å; W14-L52 HydrophobicContact CH2-CD2 4Å; W14-L52 HydrophobicContact CZ2-CD2 3.86Å; W14-L52 HydrophobicContact CZ3-CD2 4.15Å
15T79.8Confident72.6Confident97 Ų9778.7 Ų78.760%0.59540%0.403SS*.G310 helixtrans-63.8-26.8168.2-36.60000111.2V12 V13 R36V12-T15 WeakPolarHBondContact O-CB 3.35Å; V12-T15 PolarHBondContact O-N 3.1Å; V12-T15 VanDerWaalsContact O-N 3.12Å; V12-T15 PolarHBondContact O-OG1 3.39Å; V13-T15 PolarHBondContact O-N 3.1Å; T15-R36 WeakPolarHBondContact O-CD 3.39Å
16Y80.4Confident72.3Confident34 Ų3481.3 Ų81.313%0.13341%0.406CS..G310 helixtrans-100.4-0.1-177.8-60-85.4000113.9V13 W14 R36 L37 L56 D63 L67V13-Y16 PolarHBondContact O-N 2.91Å; V13-Y16 VanDerWaalsContact O-N 3.09Å; W14-Y16 PolarHBondContact O-N 3.3Å; Y16-R36 PolarHBondContact O-N 2.81Å; Y16-L37 HydrophobicContact CD1-CD1 3.78Å; Y16-L37 HydrophobicContact CD1-CD2 4.37Å; Y16-L37 HydrophobicContact CD1-CG 4.16Å; Y16-L37 HydrophobicContact CE1-CD1 4.39Å; Y16-L56 HydrophobicContact CD2-CD1 4.12Å; Y16-L56 HydrophobicContact CG-CD1 4.16Å; Y16-L56 HydrophobicContact CG-CD2 4.28Å; Y16-D63 HydrophobicContact CD1-CB 4.31Å; Y16-D63 HydrophobicContact CE1-CB 3.81Å; Y16-L67 HydrophobicContact CD2-CD1 3.67Å; Y16-L67 HydrophobicContact CE2-CD1 3.36Å
17F85.4Confident72.3Confident0 Ų080.1 Ų80.10%041%0.405CS..EExtended strand (participates in β ladder)trans-133.2152.3-179-65.8-93.5000111V13 W14 V33 I34 C35 R36 V42 L52 H55 L56V13-F17 HydrophobicContact CG2-CD2 4.34Å; V13-F17 HydrophobicContact CG2-CE2 4.1Å; V13-F17 WeakPolarHBondContact O-CD2 3.2Å; W14-F17 HydrophobicContact CE3-CB 4.13Å; W14-F17 HydrophobicContact CZ3-CB 4.48Å; W14-F17 PolarHBondContact O-N 3.01Å; F17-V33 HydrophobicContact CD1-CG2 3.99Å; F17-I34 CarbonylContact C-O 3.55Å; F17-I34 WeakPolarHBondContact CA-O 3.24Å; F17-C35 HydrophobicContact CD1-CB 3.94Å; F17-C35 HydrophobicContact CE1-CB 3.64Å; F17-C35 HydrophobicContact CZ-CB 4.42Å; F17-R36 PolarHBondContact O-NE 3.05Å; F17-V42 HydrophobicContact CE1-CB 4.37Å; F17-V42 HydrophobicContact CE1-CG2 3.94Å; F17-L52 HydrophobicContact CB-CD2 4.2Å; F17-L52 HydrophobicContact CD1-CD2 4.46Å; F17-L52 HydrophobicContact CD1-CG 4.32Å; F17-L52 HydrophobicContact CD2-CB 4.03Å; F17-L52 HydrophobicContact CD2-CD2 3.96Å; F17-L52 HydrophobicContact CD2-CG 4.2Å; F17-L52 HydrophobicContact CE1-CB 4.42Å; F17-L52 HydrophobicContact CE1-CG 4.38Å; F17-L52 HydrophobicContact CE2-CB 3.69Å; F17-L52 HydrophobicContact CE2-CD2 4.47Å; F17-L52 HydrophobicContact CE2-CG 4.26Å; F17-L52 HydrophobicContact CG-CD2 3.96Å; F17-L52 HydrophobicContact CG-CG 4.24Å; F17-L52 HydrophobicContact CZ-CB 3.91Å; F17-L52 HydrophobicContact CZ-CG 4.35Å; F17-L52 WeakPolarHBondContact CZ-O 3.42Å; F17-H55 AromaticContact CE1-CD2 3.85Å; F17-H55 HydrophobicContact CZ-CB 4.22Å; F17-H55 AromaticContact CZ-CD2 3.63Å; F17-L56 HydrophobicContact CE2-CD1 3.84Å; F17-L56 HydrophobicContact CE2-CD2 4.08Å; F17-L56 HydrophobicContact CE2-CG 3.7Å; F17-L56 HydrophobicContact CZ-CD2 4.28Å; F17-L56 HydrophobicContact CZ-CG 4.01Å
18G84.1Confident73Confident0 Ų081.5 Ų81.50%041%0.407CS..EExtended strand (participates in β ladder)trans-148.5162.4176.500000111.9I4 I34I4-G18 CarbonylContact O-C 3.49Å; I4-G18 WeakPolarHBondContact O-CA 3.4Å; G18-I34 PolarHBondContact N-O 3.1Å; G18-I34 PolarHBondContact O-N 3.19Å
19L84.5Confident73.5Confident1 Ų173 Ų731%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-100.5149.5179.2-62.1168.2000109L3 I4 K6 P27 N29 V33L3-L19 CarbonylContact C-O 3.6Å; L3-L19 WeakPolarHBondContact CA-O 3.28Å; I4-L19 HydrophobicContact CG1-CB 4.11Å; I4-L19 WeakPolarHBondContact CG1-O 3.28Å; I4-L19 PolarHBondContact N-O 2.71Å; I4-L19 PolarHBondContact O-N 2.99Å; K6-L19 HydrophobicContact CB-CD1 4.11Å; K6-L19 HydrophobicContact CG-CD1 4.25Å; L19-P27 HydrophobicContact CB-CB 4.02Å; L19-P27 HydrophobicContact CD1-CB 3.75Å; L19-P27 HydrophobicContact CD1-CG 4.44Å; L19-P27 HydrophobicContact CG-CB 4.47Å; L19-N29 WeakPolarHBondContact CD2-O 3.49Å; L19-V33 HydrophobicContact CD2-CB 4.44Å; L19-V33 HydrophobicContact CD2-CG1 3.76Å
20K79.7Confident73.7Confident103 Ų10375 Ų7545%0.44839%0.391SS..EExtended strand (participates in β ladder)trans-73.9127.8171.6-164.7174.7-179-177.40108.7P27 L28 I34K20-P27 WeakPolarHBondContact O-CA 3.37Å; K20-L28 HydrophobicContact CD-CD1 4.47Å; K20-L28 HydrophobicContact CG-CD1 4.33Å; K20-L28 PolarHBondContact O-N 2.79Å; K20-I34 HydrophobicContact CB-CD1 4.23Å
21A76.2Confident74.1Confident27 Ų2765.5 Ų65.522%0.22336%0.355CS..BIsolated β-bridgetrans-88.5148.6176.300000111.5I4 Q26I4-A21 HydrophobicContact CD1-CB 3.84Å; I4-A21 HydrophobicContact CG1-CB 3.99Å; I4-A21 HydrophobicContact CG2-CB 3.78Å; A21-Q26 CarbonylContact C-O 3.47Å; A21-Q26 VanDerWaalsContact CA-O 3.26Å; A21-Q26 WeakPolarHBondContact CA-O 3.42Å
22D72.1Confident74.3Confident65 Ų6568 Ų6835%0.34836%0.363SS..  trans-78.1176.9163.669.510000111.4K24 G25 Q26 L28D22-K24 PolarHBondContact O-N 3.38Å; D22-K24 WeakPolarHBondContact OD1-CA 3.49Å; D22-K24 PolarHBondContact OD1-N 2.92Å; D22-G25 PolarHBondContact O-N 3.3Å; D22-G25 PolarHBondContact OD1-N 3.11Å; D22-Q26 PolarHBondContact N-O 2.92Å; D22-Q26 PolarHBondContact OD1-N 3.3Å; D22-L28 HydrophobicContact CB-CD1 4.32Å; D22-L28 HydrophobicContact CB-CG 4.27Å
23E68.8Low74.8Confident207 Ų20764 Ų6497%0.96734%0.338SS*.THydrogen-bonded Turntrans-61.6-10.4-179.9-62.9-176167.200113.9
24K62.3Low74.8Confident190 Ų19065 Ų6583%0.82634%0.343SS*.THydrogen-bonded Turntrans-106.87.4177.7-62.1-176.9-178.5179.40112.8D22D22-K24 PolarHBondContact O-N 3.38Å; D22-K24 WeakPolarHBondContact OD1-CA 3.49Å; D22-K24 PolarHBondContact OD1-N 2.92Å
25G61.3Low75Confident47 Ų4764.1 Ų64.149%0.48534%0.34SS..SBendtrans8015.6177.600000114.9D22D22-G25 PolarHBondContact O-N 3.3Å; D22-G25 PolarHBondContact OD1-N 3.11Å
26Q67.3Low75.1Confident131 Ų13163.5 Ų63.561%0.61233%0.327SS*.  trans-103.2150179.8-64-124.1-2.600112A21 D22 L28A21-Q26 CarbonylContact C-O 3.47Å; A21-Q26 VanDerWaalsContact CA-O 3.26Å; A21-Q26 WeakPolarHBondContact CA-O 3.42Å; D22-Q26 PolarHBondContact N-O 2.92Å; D22-Q26 PolarHBondContact OD1-N 3.3Å; Q26-L28 PolarHBondContact O-N 2.91Å
27P72.4Confident74.9Confident39 Ų3965.4 Ų65.425%0.25334%0.339SS..BIsolated β-bridgetrans-70.8122-175.125.5-31.8000112.8I4 L19 K20 T30I4-P27 HydrophobicContact CD1-CB 3.97Å; I4-P27 HydrophobicContact CD1-CG 4.4Å; L19-P27 HydrophobicContact CB-CB 4.02Å; L19-P27 HydrophobicContact CD1-CB 3.75Å; L19-P27 HydrophobicContact CD1-CG 4.44Å; L19-P27 HydrophobicContact CG-CB 4.47Å; K20-P27 WeakPolarHBondContact O-CA 3.37Å; P27-T30 HydrophobicContact CB-CG2 4.44Å; P27-T30 HydrophobicContact CG-CG2 4.34Å
28L70.8Confident74.5Confident115 Ų11568 Ų6860%0.60236%0.356SS*.SBendtrans-63.4-40.9-179.1-112.7146.4000113.3K20 D22 Q26K20-L28 HydrophobicContact CD-CD1 4.47Å; K20-L28 HydrophobicContact CG-CD1 4.33Å; K20-L28 PolarHBondContact O-N 2.79Å; D22-L28 HydrophobicContact CB-CD1 4.32Å; D22-L28 HydrophobicContact CB-CG 4.27Å; Q26-L28 PolarHBondContact O-N 2.91Å
29N69.9Low74.4Confident73 Ų7374.8 Ų74.839%0.3938%0.382SS..  trans-148.3123.3177.7-174-18.7000109.5L19 G31 E32L19-N29 WeakPolarHBondContact CD2-O 3.49Å; N29-G31 PolarHBondContact OD1-N 3.09Å; N29-E32 HydrophobicContact CB-CB 4.44Å; N29-E32 PolarHBondContact ND2-OE2 3.47Å
30T67.8Low74.1Confident89 Ų8980.5 Ų80.555%0.54641%0.407SS..SBendtrans-84.9-10.9-177.152.40000114.1P27P27-T30 HydrophobicContact CB-CG2 4.44Å; P27-T30 HydrophobicContact CG-CG2 4.34Å
31G67.4Low74.1Confident17 Ų1780.2 Ų80.218%0.17541%0.409CS..SBendtrans-93.2-13.8177.800000114.4N29 L43 A44N29-G31 PolarHBondContact OD1-N 3.09Å; G31-L43 CarbonylContact O-C 3.56Å; G31-L43 WeakPolarHBondContact O-CA 3.35Å; G31-A44 PolarHBondContact O-N 3.21Å
32E77.3Confident74.4Confident89 Ų8979.8 Ų79.842%0.41640%0.404SS..EExtended strand (participates in β ladder)trans-112.6100.9179.8-77.2173.6-177.700109.8N29 I41 L43N29-E32 HydrophobicContact CB-CB 4.44Å; N29-E32 PolarHBondContact ND2-OE2 3.47Å; E32-I41 HydrophobicContact CB-CG2 3.86Å; E32-I41 HydrophobicContact CG-CG2 4.01Å; E32-L43 HydrophobicContact CG-CD2 3.6Å
33V83.3Confident74.6Confident0 Ų081 Ų810%041%0.41CS..EExtended strand (participates in β ladder)trans-102.4137.8-177.3-540000109.4W14 F17 L19 I41 V42 A44 L52W14-V33 HydrophobicContact CH2-CB 4.33Å; W14-V33 HydrophobicContact CH2-CG1 3.35Å; W14-V33 HydrophobicContact CZ3-CB 4.06Å; W14-V33 HydrophobicContact CZ3-CG1 3.46Å; W14-V33 VanDerWaalsContact CZ3-CG1 3.46Å; F17-V33 HydrophobicContact CD1-CG2 3.99Å; L19-V33 HydrophobicContact CD2-CB 4.44Å; L19-V33 HydrophobicContact CD2-CG1 3.76Å; V33-I41 CarbonylContact O-C 3.56Å; V33-I41 WeakPolarHBondContact O-CA 3.15Å; V33-V42 HydrophobicContact CG2-CB 3.94Å; V33-V42 WeakPolarHBondContact CG2-O 3.46Å; V33-V42 PolarHBondContact N-O 3.38Å; V33-V42 PolarHBondContact O-N 2.6Å; V33-A44 HydrophobicContact CG1-CB 3.74Å; V33-A44 HydrophobicContact CG2-CB 4.11Å; V33-L52 HydrophobicContact CG2-CD1 4.09Å; V33-L52 HydrophobicContact CG2-CD2 4.06Å; V33-L52 HydrophobicContact CG2-CG 3.88Å
34I79.8Confident74.6Confident22 Ų2271.6 Ų71.611%0.11337%0.367CS..EExtended strand (participates in β ladder)trans-103.9125.5-176.2-57.8178.1000108.1L3 F17 G18 K20 R36 I41L3-I34 HydrophobicContact CD1-CB 3.98Å; L3-I34 HydrophobicContact CD1-CG2 3.77Å; L3-I34 HydrophobicContact CD2-CB 3.94Å; L3-I34 HydrophobicContact CD2-CD1 3.73Å; L3-I34 HydrophobicContact CD2-CG1 4.31Å; L3-I34 HydrophobicContact CD2-CG2 4.21Å; F17-I34 CarbonylContact C-O 3.55Å; F17-I34 WeakPolarHBondContact CA-O 3.24Å; G18-I34 PolarHBondContact N-O 3.1Å; G18-I34 PolarHBondContact O-N 3.19Å; K20-I34 HydrophobicContact CB-CD1 4.23Å; I34-R36 PolarHBondContact O-N 3.1Å; I34-I41 HydrophobicContact CG1-CG1 4.19Å
35C85.4Confident74.4Confident0 Ų070.4 Ų70.40%036%0.362CS..EExtended strand (participates in β ladder)trans-65.8129.9173.4-175.80000110F17 L37 R39 K40F17-C35 HydrophobicContact CD1-CB 3.94Å; F17-C35 HydrophobicContact CE1-CB 3.64Å; F17-C35 HydrophobicContact CZ-CB 4.42Å; C35-L37 VanDerWaalsContact C-N 3.27Å; C35-L37 PolarHBondContact O-N 3.32Å; C35-L37 PolarHBondContact SG-N 3.46Å; C35-R39 WeakPolarHBondContact O-CA 3.15Å; C35-R39 PolarHBondContact O-N 3.42Å; C35-K40 PolarHBondContact N-O 2.82Å
36R80.3Confident74.1Confident84 Ų8472.2 Ų72.232%0.31738%0.38SS..THydrogen-bonded Turntrans-71.2-24.8178.2-67.4176.2179.5-91.5-0.6112.2L3 S5 T15 Y16 F17 I34L3-R36 HydrophobicContact CD1-CG 4.14Å; L3-R36 PolarHBondContact O-NH1 3.22Å; L3-R36 PolarHBondContact O-NH2 3.31Å; S5-R36 PolarHBondContact OG-NH2 3.38Å; S5-R36 VanDerWaalsContact OG-NH2 3.1Å; T15-R36 WeakPolarHBondContact O-CD 3.39Å; Y16-R36 PolarHBondContact O-N 2.81Å; F17-R36 PolarHBondContact O-NE 3.05Å; I34-R36 PolarHBondContact O-N 3.1Å
37L77.1Confident73.6Confident75 Ų7568.6 Ų68.639%0.39338%0.379SS..THydrogen-bonded Turntrans-83.8-49-177.4-57.9176.8000113.2Y16 C35 L56 H60 D63Y16-L37 HydrophobicContact CD1-CD1 3.78Å; Y16-L37 HydrophobicContact CD1-CD2 4.37Å; Y16-L37 HydrophobicContact CD1-CG 4.16Å; Y16-L37 HydrophobicContact CE1-CD1 4.39Å; C35-L37 VanDerWaalsContact C-N 3.27Å; C35-L37 PolarHBondContact O-N 3.32Å; C35-L37 PolarHBondContact SG-N 3.46Å; L37-L56 HydrophobicContact CD1-CD2 4.07Å; L37-H60 VanDerWaalsContact CB-CE1 3.44Å; L37-H60 WeakPolarHBondContact CB-CE1 3.36Å; L37-H60 HydrophobicContact CD1-CB 3.76Å; L37-D63 HydrophobicContact CD1-CB 3.93Å; L37-D63 VanDerWaalsContact CD1-CG 3.48Å
38C77.6Confident73.1Confident54 Ų5470.3 Ų70.337%0.36539%0.385SS..THydrogen-bonded Turntrans-110.60.9-179.566.60000115.2K40 H55 H60C38-K40 PolarHBondContact O-N 2.63Å; C38-K40 VanDerWaalsContact SG-CB 3.59Å; C38-H55 VanDerWaalsContact SG-CE1 3.55Å; C38-H55 PolarHBondContact SG-NE2 3.46Å; C38-H60 VanDerWaalsContact CB-NE2 3.29Å; C38-H60 WeakPolarHBondContact CB-NE2 3.06Å; C38-H60 PolarHBondContact SG-NE2 3.17Å
39R81.2Confident73.2Confident143 Ų14366.5 Ų66.554%0.5437%0.367SS..  trans58.79.2-177.9-58-65.5-175.2150.2-0.2115.6M1 C35M1-R39 PolarHBondContact O-NH1 3.04Å; M1-R39 VanDerWaalsContact O-NH1 3.11Å; C35-R39 WeakPolarHBondContact O-CA 3.15Å; C35-R39 PolarHBondContact O-N 3.42Å
40K77.3Confident73.6Confident120 Ų12067.4 Ų67.452%0.52238%0.376SS..  trans-75140.4176.9-162.5169.3-176171.30111.2C35 C38C35-K40 PolarHBondContact N-O 2.82Å; C38-K40 PolarHBondContact O-N 2.63Å; C38-K40 VanDerWaalsContact SG-CB 3.59Å
41I80.8Confident74.1Confident98 Ų9867 Ų6750%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-76.7131173.8-55.7171.6000108.7E32 V33 I34E32-I41 HydrophobicContact CB-CG2 3.86Å; E32-I41 HydrophobicContact CG-CG2 4.01Å; V33-I41 CarbonylContact O-C 3.56Å; V33-I41 WeakPolarHBondContact O-CA 3.15Å; I34-I41 HydrophobicContact CG1-CG1 4.19Å
42V81.5Confident74.8Confident18 Ų1866.1 Ų66.111%0.10936%0.361CS..EExtended strand (participates in β ladder)trans-122.2132.7176.3-177.70000107.8F17 V33 N51 H55F17-V42 HydrophobicContact CE1-CB 4.37Å; F17-V42 HydrophobicContact CE1-CG2 3.94Å; V33-V42 HydrophobicContact CG2-CB 3.94Å; V33-V42 WeakPolarHBondContact CG2-O 3.46Å; V33-V42 PolarHBondContact N-O 3.38Å; V33-V42 PolarHBondContact O-N 2.6Å; V42-N51 HydrophobicContact CG1-CB 4.33Å; V42-H55 HydrophobicContact CG1-CB 4.46Å; V42-H55 HydrophobicContact CG2-CB 4.13Å
43L77.1Confident74.8Confident91 Ų9167.2 Ų67.248%0.47636%0.361SS..EExtended strand (participates in β ladder)trans-84.3121.1-179.1-67.4168.7000110.7G31 E32 N51G31-L43 CarbonylContact O-C 3.56Å; G31-L43 WeakPolarHBondContact O-CA 3.35Å; E32-L43 HydrophobicContact CG-CD2 3.6Å; L43-N51 PolarHBondContact O-ND2 2.82Å; L43-N51 VanDerWaalsContact O-ND2 3.09Å
44A68.4Low74.5Confident8 Ų869 Ų697%0.06637%0.374CS..  trans-114.959.2-178.800000111G31 V33 L52G31-A44 PolarHBondContact O-N 3.21Å; V33-A44 HydrophobicContact CG1-CB 3.74Å; V33-A44 HydrophobicContact CG2-CB 4.11Å; A44-L52 HydrophobicContact CB-CD1 3.76Å
45K57.7Low74.6Confident166 Ų16669.1 Ų69.172%0.72237%0.374SS*.G310 helixtrans-70.2129.1176.6-69-174.8178.5-179.30110.3
46G56.2Low74.1Confident84 Ų8469.1 Ų69.187%0.86637%0.374SS*.G310 helixtrans8517168.200000117.2N48G46-N48 PolarHBondContact O-N 2.99Å; G46-N48 VanDerWaalsContact O-N 3.14Å
47G55.8Low73.8Confident56 Ų5666.6 Ų66.658%0.57737%0.369SS*.G310 helixtrans75.8-1.6169.600000116.3
48N61.7Low73.1Confident74 Ų7472.4 Ų72.440%0.39639%0.386SS..  trans-74.5154.1169.783.936.3000111.1G46 T50G46-N48 PolarHBondContact O-N 2.99Å; G46-N48 VanDerWaalsContact O-N 3.14Å; N48-T50 PolarHBondContact OD1-N 3.43Å
49T74.1Confident72.6Confident35 Ų3578.3 Ų78.322%0.21540%0.401CS..  trans-108.55.7178.250.50000113.6V13 N51 L52 R53V13-T49 HydrophobicContact CG1-CG2 3.65Å; T49-N51 VanDerWaalsContact C-N 3.32Å; T49-N51 PolarHBondContact O-N 3.43Å; T49-L52 PolarHBondContact O-N 3.44Å; T49-R53 PolarHBondContact O-N 2.81Å
50T77.3Confident72.2Confident93 Ų9373 Ų7357%0.57138%0.382SS*.Hα-helixtrans-62.3-39.8-174.3-47.80000111.6N48 L52 R53 S54N48-T50 PolarHBondContact OD1-N 3.43Å; T50-L52 PolarHBondContact O-N 3.45Å; T50-R53 PolarHBondContact O-N 2.93Å; T50-S54 VanDerWaalsContact O-CB 3.28Å; T50-S54 WeakPolarHBondContact O-CB 3.08Å; T50-S54 PolarHBondContact O-N 2.94Å
51N78.1Confident71.5Confident79 Ų7975.5 Ų75.542%0.42239%0.388SS..Hα-helixtrans-67.2-37.6178.4-67.3-5.2000112.4V42 L43 T49 H55V42-N51 HydrophobicContact CG1-CB 4.33Å; L43-N51 PolarHBondContact O-ND2 2.82Å; L43-N51 VanDerWaalsContact O-ND2 3.09Å; T49-N51 VanDerWaalsContact C-N 3.32Å; T49-N51 PolarHBondContact O-N 3.43Å; N51-H55 WeakPolarHBondContact O-CB 3.42Å; N51-H55 PolarHBondContact O-N 2.65Å
52L82.5Confident70.3Confident0 Ų074.4 Ų74.40%039%0.394CS..Hα-helixtrans-68.1-42.4177.5-69.467.8000110.3V13 W14 F17 V33 A44 T49 T50 H55 L56V13-L52 HydrophobicContact CG1-CB 4.46Å; V13-L52 HydrophobicContact CG1-CD2 4.2Å; V13-L52 HydrophobicContact CG2-CB 3.87Å; W14-L52 HydrophobicContact CD2-CD2 4.13Å; W14-L52 HydrophobicContact CE3-CD2 4.2Å; W14-L52 HydrophobicContact CH2-CD2 4Å; W14-L52 HydrophobicContact CZ2-CD2 3.86Å; W14-L52 HydrophobicContact CZ3-CD2 4.15Å; F17-L52 HydrophobicContact CB-CD2 4.2Å; F17-L52 HydrophobicContact CD1-CD2 4.46Å; F17-L52 HydrophobicContact CD1-CG 4.32Å; F17-L52 HydrophobicContact CD2-CB 4.03Å; F17-L52 HydrophobicContact CD2-CD2 3.96Å; F17-L52 HydrophobicContact CD2-CG 4.2Å; F17-L52 HydrophobicContact CE1-CB 4.42Å; F17-L52 HydrophobicContact CE1-CG 4.38Å; F17-L52 HydrophobicContact CE2-CB 3.69Å; F17-L52 HydrophobicContact CE2-CD2 4.47Å; F17-L52 HydrophobicContact CE2-CG 4.26Å; F17-L52 HydrophobicContact CG-CD2 3.96Å; F17-L52 HydrophobicContact CG-CG 4.24Å; F17-L52 HydrophobicContact CZ-CB 3.91Å; F17-L52 HydrophobicContact CZ-CG 4.35Å; F17-L52 WeakPolarHBondContact CZ-O 3.42Å; V33-L52 HydrophobicContact CG2-CD1 4.09Å; V33-L52 HydrophobicContact CG2-CD2 4.06Å; V33-L52 HydrophobicContact CG2-CG 3.88Å; A44-L52 HydrophobicContact CB-CD1 3.76Å; T49-L52 PolarHBondContact O-N 3.44Å; T50-L52 PolarHBondContact O-N 3.45Å; L52-H55 WeakPolarHBondContact O-CB 3.31Å; L52-H55 PolarHBondContact O-N 2.86Å; L52-L56 PolarHBondContact O-N 3.25Å
53R77.4Confident69.7Low111 Ų11175.6 Ų75.642%0.41940%0.399SS..Hα-helixtrans-68.1-39.8177.8-168.9177.4-94.9174-5.7112.1V13 T49 T50 H55 L56 S57 F64V13-R53 HydrophobicContact CG2-CB 4.48Å; T49-R53 PolarHBondContact O-N 2.81Å; T50-R53 PolarHBondContact O-N 2.93Å; R53-H55 VanDerWaalsContact C-N 3.33Å; R53-L56 PolarHBondContact O-N 3.19Å; R53-S57 PolarHBondContact O-N 2.96Å; R53-F64 HydrophobicContact CG-CD2 3.97Å; R53-F64 HydrophobicContact CG-CE2 3.31Å; R53-F64 HydrophobicContact CG-CZ 4.27Å
54S78.4Confident69.3Low38 Ų3873.2 Ų73.227%0.26639%0.385SS..Hα-helixtrans-65.8-36.3173.9-1710000111.9T50 S57 R58T50-S54 VanDerWaalsContact O-CB 3.28Å; T50-S54 WeakPolarHBondContact O-CB 3.08Å; T50-S54 PolarHBondContact O-N 2.94Å; S54-S57 WeakPolarHBondContact CA-OG 3.06Å; S54-S57 PolarHBondContact O-N 3.21Å; S54-S57 PolarHBondContact O-OG 3.4Å; S54-S57 VanDerWaalsContact O-OG 3.11Å; S54-R58 WeakPolarHBondContact O-CB 3.33Å; S54-R58 VanDerWaalsContact O-CG 3.26Å; S54-R58 WeakPolarHBondContact O-CG 3.47Å; S54-R58 PolarHBondContact O-N 3.27Å; S54-R58 PolarHBondContact OG-NE 3.23Å
55H80.8Confident68.9Low24 Ų2479.5 Ų79.511%0.11141%0.408CS..Hα-helixtrans-62.8-47.2172.2177.790000111.5F17 C38 V42 N51 L52 R53 R58 R59 H60F17-H55 AromaticContact CE1-CD2 3.85Å; F17-H55 HydrophobicContact CZ-CB 4.22Å; F17-H55 AromaticContact CZ-CD2 3.63Å; C38-H55 VanDerWaalsContact SG-CE1 3.55Å; C38-H55 PolarHBondContact SG-NE2 3.46Å; V42-H55 HydrophobicContact CG1-CB 4.46Å; V42-H55 HydrophobicContact CG2-CB 4.13Å; N51-H55 WeakPolarHBondContact O-CB 3.42Å; N51-H55 PolarHBondContact O-N 2.65Å; L52-H55 WeakPolarHBondContact O-CB 3.31Å; L52-H55 PolarHBondContact O-N 2.86Å; R53-H55 VanDerWaalsContact C-N 3.33Å; H55-R58 PolarHBondContact O-N 2.94Å; H55-R59 WeakPolarHBondContact O-CB 3.39Å; H55-R59 PolarHBondContact O-N 2.67Å; H55-H60 AromaticContact NE2-CD2 3.76Å; H55-H60 AromaticContact NE2-NE2 3.84Å
56L75.4Confident68.9Low0 Ų076.1 Ų76.10%040%0.395CS..Hα-helixtrans-61.9-47.1175.3-69.7174.7000111.5V13 Y16 F17 L37 L52 R53 R58 R59 H60 R61 F64V13-L56 HydrophobicContact CG2-CD1 3.8Å; Y16-L56 HydrophobicContact CD2-CD1 4.12Å; Y16-L56 HydrophobicContact CG-CD1 4.16Å; Y16-L56 HydrophobicContact CG-CD2 4.28Å; F17-L56 HydrophobicContact CE2-CD1 3.84Å; F17-L56 HydrophobicContact CE2-CD2 4.08Å; F17-L56 HydrophobicContact CE2-CG 3.7Å; F17-L56 HydrophobicContact CZ-CD2 4.28Å; F17-L56 HydrophobicContact CZ-CG 4.01Å; L37-L56 HydrophobicContact CD1-CD2 4.07Å; L52-L56 PolarHBondContact O-N 3.25Å; R53-L56 PolarHBondContact O-N 3.19Å; L56-R58 VanDerWaalsContact C-N 3.25Å; L56-R58 PolarHBondContact O-N 2.83Å; L56-R59 PolarHBondContact O-N 3.34Å; L56-H60 HydrophobicContact CD2-CB 3.79Å; L56-H60 CarbonylContact O-C 3.22Å; L56-H60 VanDerWaalsContact O-CA 3.24Å; L56-H60 WeakPolarHBondContact O-CA 3.37Å; L56-H60 PolarHBondContact O-N 3.37Å; L56-R61 PolarHBondContact O-N 3.4Å; L56-F64 HydrophobicContact CB-CB 4.02Å; L56-F64 HydrophobicContact CB-CD2 4.24Å
57S74.1Confident69.1Low31 Ų3172.4 Ų72.422%0.21736%0.355CS..Hα-helixtrans-63.3-30.4-178.672.20000113.6R53 S54 R61 F64R53-S57 PolarHBondContact O-N 2.96Å; S54-S57 WeakPolarHBondContact CA-OG 3.06Å; S54-S57 PolarHBondContact O-N 3.21Å; S54-S57 PolarHBondContact O-OG 3.4Å; S54-S57 VanDerWaalsContact O-OG 3.11Å; S57-R61 WeakPolarHBondContact O-CG 3.24Å; S57-F64 VanDerWaalsContact CB-CD1 3.5Å
58R62.7Low68.9Low198 Ų19872.1 Ų72.175%0.74734%0.343SS*.Hα-helixtrans-90.5-29.4-179.4-66.7177.5-176.2-167.80.2114S54 H55 L56S54-R58 WeakPolarHBondContact O-CB 3.33Å; S54-R58 VanDerWaalsContact O-CG 3.26Å; S54-R58 WeakPolarHBondContact O-CG 3.47Å; S54-R58 PolarHBondContact O-N 3.27Å; S54-R58 PolarHBondContact OG-NE 3.23Å; H55-R58 PolarHBondContact O-N 2.94Å; L56-R58 VanDerWaalsContact C-N 3.25Å; L56-R58 PolarHBondContact O-N 2.83Å
59R66.1Low68.3Low178 Ų17871.6 Ų71.667%0.67234%0.344SS*.Hα-helixtrans-119.4-21.4-171.4-62.4-67.4-174.2154.1-4.1114.4H55 L56H55-R59 WeakPolarHBondContact O-CB 3.39Å; H55-R59 PolarHBondContact O-N 2.67Å; L56-R59 PolarHBondContact O-N 3.34Å
60H73.3Confident66.9Low31 Ų3175.9 Ų75.914%0.14436%0.36CS..  trans-137.258.7-176.4-61.9-65.7000109.8L37 C38 H55 L56 A62 D63 F64L37-H60 VanDerWaalsContact CB-CE1 3.44Å; L37-H60 WeakPolarHBondContact CB-CE1 3.36Å; L37-H60 HydrophobicContact CD1-CB 3.76Å; C38-H60 VanDerWaalsContact CB-NE2 3.29Å; C38-H60 WeakPolarHBondContact CB-NE2 3.06Å; C38-H60 PolarHBondContact SG-NE2 3.17Å; H55-H60 AromaticContact NE2-CD2 3.76Å; H55-H60 AromaticContact NE2-NE2 3.84Å; L56-H60 HydrophobicContact CD2-CB 3.79Å; L56-H60 CarbonylContact O-C 3.22Å; L56-H60 VanDerWaalsContact O-CA 3.24Å; L56-H60 WeakPolarHBondContact O-CA 3.37Å; L56-H60 PolarHBondContact O-N 3.37Å; H60-A62 VanDerWaalsContact C-N 3.31Å; H60-A62 PolarHBondContact O-N 3.4Å; H60-D63 HydrophobicContact CB-CB 4.27Å; H60-D63 PolarHBondContact O-N 3.15Å; H60-F64 WeakPolarHBondContact O-CB 3.49Å; H60-F64 PolarHBondContact O-N 2.77Å
61R61.4Low65.2Low173 Ų17375.1 Ų75.165%0.65336%0.364SS*.Hα-helixtrans-65.5-33.5-165.3-149.2165.9-175167.60.9112.3L56 S57 F64 Y65L56-R61 PolarHBondContact O-N 3.4Å; S57-R61 WeakPolarHBondContact O-CG 3.24Å; R61-F64 PolarHBondContact O-N 3.12Å; R61-Y65 HydrophobicContact CG-CD2 4.34Å; R61-Y65 HydrophobicContact CG-CE2 3.99Å; R61-Y65 WeakPolarHBondContact O-CD2 3.36Å; R61-Y65 PolarHBondContact O-N 3.46Å
62A57.2Low63.2Low75 Ų7576.3 Ų76.362%0.6237%0.374SS*.Hα-helixtrans-65.2-49.9174.300000111.7H60 F64 Y65 E66H60-A62 VanDerWaalsContact C-N 3.31Å; H60-A62 PolarHBondContact O-N 3.4Å; A62-F64 VanDerWaalsContact C-N 3.25Å; A62-F64 PolarHBondContact O-N 3.21Å; A62-Y65 WeakPolarHBondContact O-CB 3.32Å; A62-Y65 PolarHBondContact O-N 3.02Å; A62-Y65 VanDerWaalsContact O-N 3.08Å; A62-E66 PolarHBondContact O-N 3.41Å
63D67.6Low60.9Low42 Ų4279.8 Ų79.823%0.22540%0.402CS..Hα-helixtrans-64.8-30.9176.7-48-93.5000112Y16 L37 H60 E66 L67Y16-D63 HydrophobicContact CD1-CB 4.31Å; Y16-D63 HydrophobicContact CE1-CB 3.81Å; L37-D63 HydrophobicContact CD1-CB 3.93Å; L37-D63 VanDerWaalsContact CD1-CG 3.48Å; H60-D63 HydrophobicContact CB-CB 4.27Å; H60-D63 PolarHBondContact O-N 3.15Å; D63-E66 PolarHBondContact O-N 3.09Å; D63-L67 WeakPolarHBondContact O-CB 3.31Å; D63-L67 PolarHBondContact O-N 2.8Å
64F68.4Low58.5Low42 Ų4277 Ų7718%0.18441%0.408CS..Hα-helixtrans-67.2-42.3171.7178.5-109.4000112R53 L56 S57 H60 R61 A62 E66 L67 T68R53-F64 HydrophobicContact CG-CD2 3.97Å; R53-F64 HydrophobicContact CG-CE2 3.31Å; R53-F64 HydrophobicContact CG-CZ 4.27Å; L56-F64 HydrophobicContact CB-CB 4.02Å; L56-F64 HydrophobicContact CB-CD2 4.24Å; S57-F64 VanDerWaalsContact CB-CD1 3.5Å; H60-F64 WeakPolarHBondContact O-CB 3.49Å; H60-F64 PolarHBondContact O-N 2.77Å; R61-F64 PolarHBondContact O-N 3.12Å; A62-F64 VanDerWaalsContact C-N 3.25Å; A62-F64 PolarHBondContact O-N 3.21Å; F64-E66 VanDerWaalsContact C-N 3.33Å; F64-L67 WeakPolarHBondContact O-CB 3.25Å; F64-L67 PolarHBondContact O-N 3.34Å; F64-T68 HydrophobicContact CE1-CG2 4.34Å; F64-T68 HydrophobicContact CE2-CG2 4.19Å; F64-T68 HydrophobicContact CZ-CG2 4.01Å; F64-T68 PolarHBondContact O-N 3.4Å; F64-T68 PolarHBondContact O-OG1 3.45Å
65Y60.9Low55.9Low139 Ų13978.8 Ų78.855%0.54543%0.433SS..Hα-helixtrans-63.6-40.9173.6-84.2-66000111.1R61 A62 T68 S69R61-Y65 HydrophobicContact CG-CD2 4.34Å; R61-Y65 HydrophobicContact CG-CE2 3.99Å; R61-Y65 WeakPolarHBondContact O-CD2 3.36Å; R61-Y65 PolarHBondContact O-N 3.46Å; A62-Y65 WeakPolarHBondContact O-CB 3.32Å; A62-Y65 PolarHBondContact O-N 3.02Å; A62-Y65 VanDerWaalsContact O-N 3.08Å; Y65-T68 VanDerWaalsContact CA-OG1 3.29Å; Y65-T68 WeakPolarHBondContact CA-OG1 3.31Å; Y65-T68 CarbonylContact O-C 3.53Å; Y65-T68 PolarHBondContact O-N 2.71Å; Y65-T68 VanDerWaalsContact O-N 3.17Å; Y65-T68 PolarHBondContact O-OG1 3.43Å; Y65-S69 WeakPolarHBondContact O-CB 3.35Å; Y65-S69 PolarHBondContact O-N 2.71Å; Y65-S69 PolarHBondContact O-OG 2.88Å
66E58.6Low53.3Low95 Ų9582.8 Ų82.844%0.44447%0.47SS..Hα-helixtrans-62.4-43.3174-140.7-178.7176.300111.4A62 D63 F64 T68 S69 F70A62-E66 PolarHBondContact O-N 3.41Å; D63-E66 PolarHBondContact O-N 3.09Å; F64-E66 VanDerWaalsContact C-N 3.33Å; E66-T68 VanDerWaalsContact C-N 3.27Å; E66-T68 PolarHBondContact O-N 3.19Å; E66-S69 CarbonylContact O-C 3.57Å; E66-S69 WeakPolarHBondContact O-CA 3.18Å; E66-S69 VanDerWaalsContact O-CB 3.3Å; E66-S69 WeakPolarHBondContact O-CB 3.38Å; E66-S69 PolarHBondContact O-N 3.17Å; E66-F70 HydrophobicContact CG-CD2 4.2Å; E66-F70 HydrophobicContact CG-CE2 3.87Å; E66-F70 WeakPolarHBondContact O-CD2 3.37Å; E66-F70 PolarHBondContact O-N 2.86Å
67L59.9Low50.9Low6 Ų687.6 Ų87.63%0.03150%0.504CS..Hα-helixtrans-58.8-35.9173.3-16296.1000112.7V12 V13 Y16 D63 F64 A71V12-L67 HydrophobicContact CB-CD1 4.26Å; V12-L67 HydrophobicContact CG1-CD1 3.97Å; V13-L67 HydrophobicContact CB-CD2 4.33Å; V13-L67 HydrophobicContact CG2-CD2 4.31Å; Y16-L67 HydrophobicContact CD2-CD1 3.67Å; Y16-L67 HydrophobicContact CE2-CD1 3.36Å; D63-L67 WeakPolarHBondContact O-CB 3.31Å; D63-L67 PolarHBondContact O-N 2.8Å; F64-L67 WeakPolarHBondContact O-CB 3.25Å; F64-L67 PolarHBondContact O-N 3.34Å; L67-A71 PolarHBondContact O-N 2.76Å
68T52.2Low48.4Very low51 Ų5194.4 Ų94.431%0.31353%0.53SS..Hα-helixtrans-77.8-26.4173.851.70000112.9F64 Y65 E66 A71 T72F64-T68 HydrophobicContact CE1-CG2 4.34Å; F64-T68 HydrophobicContact CE2-CG2 4.19Å; F64-T68 HydrophobicContact CZ-CG2 4.01Å; F64-T68 PolarHBondContact O-N 3.4Å; F64-T68 PolarHBondContact O-OG1 3.45Å; Y65-T68 VanDerWaalsContact CA-OG1 3.29Å; Y65-T68 WeakPolarHBondContact CA-OG1 3.31Å; Y65-T68 CarbonylContact O-C 3.53Å; Y65-T68 PolarHBondContact O-N 2.71Å; Y65-T68 VanDerWaalsContact O-N 3.17Å; Y65-T68 PolarHBondContact O-OG1 3.43Å; E66-T68 VanDerWaalsContact C-N 3.27Å; E66-T68 PolarHBondContact O-N 3.19Å; T68-A71 WeakPolarHBondContact O-CB 3.25Å; T68-A71 PolarHBondContact O-N 2.99Å; T68-T72 PolarHBondContact O-N 3.2Å; T68-T72 PolarHBondContact O-OG1 2.7Å
69S48Very low46.4Very low62 Ų6293.4 Ų93.443%0.43453%0.534SS..Hα-helixtrans-72.9-40.3175.4-49.40000111.4Y65 E66 A71 T72 A73Y65-S69 WeakPolarHBondContact O-CB 3.35Å; Y65-S69 PolarHBondContact O-N 2.71Å; Y65-S69 PolarHBondContact O-OG 2.88Å; E66-S69 CarbonylContact O-C 3.57Å; E66-S69 WeakPolarHBondContact O-CA 3.18Å; E66-S69 VanDerWaalsContact O-CB 3.3Å; E66-S69 WeakPolarHBondContact O-CB 3.38Å; E66-S69 PolarHBondContact O-N 3.17Å; S69-A71 PolarHBondContact O-N 2.87Å; S69-T72 WeakPolarHBondContact CA-OG1 3.37Å; S69-T72 PolarHBondContact O-N 2.9Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 2.92Å; S69-A73 PolarHBondContact O-N 2.86Å; S69-A73 VanDerWaalsContact O-N 3.07Å
70F44.3Very low44.5Very low125 Ų12594.6 Ų94.655%0.54854%0.544SS..Hα-helixtrans-67.6-23171.5-81.1-70.6000112.8E66 T72E66-F70 HydrophobicContact CG-CD2 4.2Å; E66-F70 HydrophobicContact CG-CE2 3.87Å; E66-F70 WeakPolarHBondContact O-CD2 3.37Å; E66-F70 PolarHBondContact O-N 2.86Å; F70-T72 VanDerWaalsContact C-N 3.31Å
71A42.2Very low41.9Very low78 Ų78102.6 Ų102.665%0.64558%0.581SS**Hα-helixtrans-75.5-21.2171.800000112.7L67 T68 S69L67-A71 PolarHBondContact O-N 2.76Å; T68-A71 WeakPolarHBondContact O-CB 3.25Å; T68-A71 PolarHBondContact O-N 2.99Å; S69-A71 PolarHBondContact O-N 2.87Å
72T35.1Very low40Very low104 Ų10498.3 Ų98.364%0.63858%0.583SS**Hα-helixtrans-94.8-13.1174.548.10000113.8T68 S69 F70T68-T72 PolarHBondContact O-N 3.2Å; T68-T72 PolarHBondContact O-OG1 2.7Å; S69-T72 WeakPolarHBondContact CA-OG1 3.37Å; S69-T72 PolarHBondContact O-N 2.9Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 2.92Å; F70-T72 VanDerWaalsContact C-N 3.31Å
73A34.6Very low38.3Very low72 Ų72102 Ų10260%0.59559%0.592SS**  trans-117.678.3177.900000110.6S69S69-A73 PolarHBondContact O-N 2.86Å; S69-A73 VanDerWaalsContact O-N 3.07Å
74G27Very low36Very low53 Ų53106.8 Ų106.855%0.54662%0.617SS.*  trans-12881.8176.100000111.5K382G74-K382 PolarHBondContact O-NZ 2.83Å
75G24.3Very low33.9Very low76 Ų76112.1 Ų112.178%0.78465%0.647SS**  trans-166.3102.8170.400000113
76A26.4Very low32Very low108 Ų108111.8 Ų111.889%0.89366%0.655SS**  trans82.3108161.600000120.1
77S24.2Very low30.3Very low101 Ų101114.8 Ų114.871%0.70667%0.668SS**  trans-78156.9154.352.60000111.9
78F21.7Very low28.6Very low174 Ų174121.8 Ų121.876%0.76370%0.701SS**  trans163.4109.9134-102.8-92.1000106.6
79E21.6Very low27.2Very low176 Ų176126.5 Ų126.582%0.82272%0.719SS**  76.313193.2-106.3-176-168.400114.9
80F24.9Very low25.9Very low204 Ų204129.9 Ų129.990%0.89573%0.732SS**  trans-69.7140.7-172.8-119.9-104.3000112.7
81Q20.3Very low24.9Very low198 Ų198130.8 Ų130.893%0.92574%0.743SS**  trans-149.8136.4147.6-117.2172.55.500112.3
82A21.2Very low24Very low84 Ų84135.9 Ų135.969%0.69475%0.753SS**  trans-82.7179.6-170.400000114.3
83L20.3Very low23.6Very low153 Ų153137.9 Ų137.980%0.80176%0.76SS**  trans109.597.4164.2-61.7159.8000112.4
84D20.8Very low23.1Very low141 Ų141140.5 Ų140.575%0.75477%0.768SS**  88.6125.281.3-103.4-16.1000110.8
85L22.6Very low23.3Very low155 Ų155143.4 Ų143.481%0.81278%0.777SS**  trans172.9105.1133-88.2167.7000111
86N22.4Very low23.3Very low132 Ų132147.4 Ų147.471%0.70678%0.78SS**  trans47.3117.6131-68.2-12000122.9
87H22.9Very low23.5Very low158 Ų158150.6 Ų150.673%0.73178%0.781SS**  56.2126.4111.2-104.3-71.8000121.8
88E23Very low23.6Very low152 Ų152154.4 Ų154.471%0.7179%0.788SS**  trans70.8149.7149.8-48.5-153155.100117.7
89E23Very low23.6Very low150 Ų150151.7 Ų151.770%0.70179%0.786SS**  cis-169.6158.5-12-119.3-170167.500104.5
90L21.4Very low23.8Very low133 Ų133149 Ų14970%0.69678%0.784SS**  trans72116.6150-64.7160.5000122.3
91N22.7Very low24.1Very low145 Ų145145 Ų14578%0.77578%0.776SS**  trans30.2125.8134.7-69.1-6.4000120.7
92E24.2Very low24.8Very low184 Ų184142.6 Ų142.686%0.8678%0.775SS**  -176.1157.395.3-91-148.1163.800112.2
93D25.1Very low26Very low146 Ų146142 Ų14278%0.78177%0.766SS**  trans-51.6139.5-173.2-65.9-72.1000116.9
94V24.3Very low28.7Very low128 Ų128140.2 Ų140.278%0.77676%0.757SS**  trans-149.4131.1134.3-179.20000109.4
95P31.1Very low31.8Very low114 Ų114137.5 Ų137.574%0.7474%0.737SS**  trans-78.4128.9-175.131.6-34.3000111.5
96L24.8Very low34.9Very low159 Ų159131.9 Ų131.983%0.83271%0.709SS**  trans-118.1101.5167.6-72175.6000110Q98L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.39Å
97L30.8Very low37.7Very low176 Ų176129.3 Ų129.392%0.92170%0.699SS**  trans-37.495.1150.3-72.7154.4000110
98Q26.2Very low40.9Very low180 Ų180123.5 Ų123.584%0.84167%0.674SS**  trans-94.7108.4151.1-75.8-175-6.900106.5L96L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.39Å
99T22.9Very low43.9Very low118 Ų118117.9 Ų117.972%0.72465%0.653SS**  trans-40.8136.716138.80000109.7T101T99-T101 PolarHBondContact O-N 3.07Å
100P25.9Very low46.8Very low120 Ų120117.7 Ų117.778%0.77966%0.662SS**  trans-63.3109.5179.925.4-30.3000107.3T102P100-T102 PolarHBondContact O-N 3.48Å
101T29.8Very low49.8Very low120 Ų120112.9 Ų112.974%0.73664%0.638SS**  trans-53.9124.7160.542.80000105.9T99 S103T99-T101 PolarHBondContact O-N 3.07Å; T101-S103 PolarHBondContact O-N 3.36Å
102T35.5Very low52.3Low146 Ų146109 Ų10990%0.89662%0.621SS**SBendtrans-68.833.2-176.640.60000112.8P100P100-T102 PolarHBondContact O-N 3.48Å
103S47Very low54.2Low73 Ų73106.8 Ų106.851%0.5162%0.622SS.*  trans-104.9102.1177.8-176.90000109.1T101 Y105T101-S103 PolarHBondContact O-N 3.36Å; S103-Y105 PolarHBondContact O-N 3.23Å
104N77.2Confident56.2Low114 Ų114102.5 Ų102.561%0.6161%0.612SS**  trans-70.323.3172.1-70-26.2000112.8V161 L162N104-V161 CarbonylContact O-C 3.58Å; N104-V161 WeakPolarHBondContact O-CA 3.29Å; N104-L162 WeakPolarHBondContact O-CB 3.44Å; N104-L162 PolarHBondContact O-N 3.06Å
105Y85.8Confident58.6Low85 Ų85101.5 Ų101.533%0.33360%0.599SS.*EExtended strand (participates in β ladder)trans-121.6125.9-174.3178-100000111S103 P107 L162 G164 Y229S103-Y105 PolarHBondContact O-N 3.23Å; Y105-P107 HydrophobicContact CE1-CB 4.04Å; Y105-L162 HydrophobicContact CD2-CB 3.85Å; Y105-G164 PolarHBondContact OH-O 2.84Å; Y105-Y229 HydrophobicContact CE2-CD1 4.23Å; Y105-Y229 AromaticContact CE2-CE1 3.98Å; Y105-Y229 HydrophobicContact CE2-CE1 3.98Å
106V86.8Confident60.7Low37 Ų3797.9 Ų97.922%0.22458%0.576CS.*EExtended strand (participates in β ladder)trans-108.6109.9178.5-178.80000108.7P130 V161 L162 F163V106-P130 HydrophobicContact CG1-CB 3.79Å; V106-P130 HydrophobicContact CG1-CG 4.16Å; V106-V161 HydrophobicContact CG2-CG1 3.81Å; V106-L162 PolarHBondContact N-O 3.06Å; V106-F163 HydrophobicContact CB-CD1 3.79Å; V106-F163 HydrophobicContact CB-CE1 3.67Å; V106-F163 HydrophobicContact CG1-CD1 4.11Å; V106-F163 HydrophobicContact CG1-CE1 3.82Å; V106-F163 HydrophobicContact CG2-CE1 4.04Å
107P82.3Confident63.4Low78 Ų7892.5 Ų92.551%0.50654%0.544SS..PPolyproline II helixtrans-74.1162.9176.631.5-34.6000111.8Y105Y105-P107 HydrophobicContact CE1-CB 4.04Å
108D88.8Confident65.4Low36 Ų3689.6 Ų89.619%0.19353%0.529CS..PPolyproline II helixtrans-55.6148.8167.9-78.41.2000111.1N203 W204D108-N203 PolarHBondContact OD1-ND2 2.86Å; D108-N203 VanDerWaalsContact OD2-CB 3.29Å; D108-N203 WeakPolarHBondContact OD2-CB 3.46Å; D108-N203 PolarHBondContact OD2-ND2 3.35Å; D108-W204 PolarHBondContact OD1-NE1 3.33Å
109A87.5Confident67.8Low34 Ų3489.1 Ų89.128%0.28153%0.527SS..PPolyproline II helixtrans-63.7144.7171.100000110.7V111 S128 L129A109-V111 PolarHBondContact O-N 3.36Å; A109-V111 VanDerWaalsContact O-N 3.09Å; A109-S128 PolarHBondContact N-O 3.38Å; A109-L129 VanDerWaalsContact CB-O 3.26Å; A109-L129 WeakPolarHBondContact CB-O 3.28Å
110V83.8Confident70.1Confident145 Ų14587.2 Ų87.288%0.87953%0.53SS*.  trans-65.9112.2179-179.20000108.8
111V83.4Confident72.6Confident33 Ų3383 Ų8320%0.251%0.509CS..PPolyproline II helixtrans-73.3132.5175.6-177.70000108.5A109 W117 R124 L127A109-V111 PolarHBondContact O-N 3.36Å; A109-V111 VanDerWaalsContact O-N 3.09Å; V111-W117 HydrophobicContact CG1-CZ3 4.13Å; V111-R124 HydrophobicContact CG2-CG 4.44Å; V111-L127 HydrophobicContact CG1-CB 4.18Å; V111-L127 HydrophobicContact CG1-CD1 4.22Å; V111-L127 HydrophobicContact CG2-CB 4.3Å
112P75.5Confident75.1Confident64 Ų6480.4 Ų80.442%0.41649%0.494SS..PPolyproline II helixtrans-60.1145.7179.422.6-32.9000111.8L127P112-L127 HydrophobicContact CG-CD1 4.24Å
113P63.1Low77.7Confident137 Ų13774 Ų7489%0.8946%0.455SS*.SBendtrans-64.4135178.725.5-32.4000111.4
114G67.6Low79.7Confident55 Ų5573.6 Ų73.657%0.56744%0.442SS*.SBendtrans112.7172.8-172.500000112.2P116G114-P116 WeakPolarHBondContact O-CD 3.43Å
115E75.5Confident80.3Confident108 Ų10868.2 Ų68.251%0.50541%0.413SS..  trans-109.171.6175.1-65.2-165.4-158.800110.2W117 L118E115-W117 HydrophobicContact CB-CD2 4.45Å; E115-W117 HydrophobicContact CB-CZ2 3.86Å; E115-W117 HydrophobicContact CG-CZ2 3.69Å; E115-W117 PolarHBondContact O-N 2.97Å; E115-W117 VanDerWaalsContact O-N 3.1Å; E115-W117 PolarHBondContact OE2-NE1 2.74Å; E115-L118 HydrophobicContact CB-CB 4.41Å; E115-L118 HydrophobicContact CB-CD1 3.71Å; E115-L118 HydrophobicContact CB-CG 3.77Å; E115-L118 HydrophobicContact CG-CD1 4.35Å; E115-L118 WeakPolarHBondContact O-CB 3.48Å; E115-L118 PolarHBondContact O-N 3Å; E115-L118 WeakPolarHBondContact OE2-CD1 3.4Å; E115-L118 WeakPolarHBondContact OE2-CG 3.08Å
116P74.2Confident80.5Confident38 Ų3867.8 Ų67.825%0.24742%0.415CS..G310 helixtrans-59.6-25.5-172.621.5-32.5000113.7G114 L118 H119 G121 L127G114-P116 WeakPolarHBondContact O-CD 3.43Å; P116-L118 VanDerWaalsContact C-N 3.27Å; P116-L118 PolarHBondContact O-N 2.91Å; P116-H119 PolarHBondContact O-N 2.9Å; P116-H119 VanDerWaalsContact O-N 3.1Å; P116-G121 WeakPolarHBondContact O-CA 3.39Å; P116-G121 PolarHBondContact O-N 3.45Å; P116-L127 HydrophobicContact CG-CD1 3.75Å
117W81Confident80.6Confident46 Ų4668.3 Ų68.317%0.17442%0.417CS..G310 helixtrans-64.8-24.8172.949.982.2000113.8V111 E115 H119 G120 R124 N200V111-W117 HydrophobicContact CG1-CZ3 4.13Å; E115-W117 HydrophobicContact CB-CD2 4.45Å; E115-W117 HydrophobicContact CB-CZ2 3.86Å; E115-W117 HydrophobicContact CG-CZ2 3.69Å; E115-W117 PolarHBondContact O-N 2.97Å; E115-W117 VanDerWaalsContact O-N 3.1Å; E115-W117 PolarHBondContact OE2-NE1 2.74Å; W117-H119 PolarHBondContact O-N 2.91Å; W117-G120 PolarHBondContact O-N 2.57Å; W117-R124 HydrophobicContact CD2-CB 4.42Å; W117-R124 HydrophobicContact CE3-CB 3.84Å; W117-R124 HydrophobicContact CH2-CB 3.77Å; W117-R124 HydrophobicContact CH2-CG 3.85Å; W117-R124 HydrophobicContact CZ2-CB 4.34Å; W117-R124 HydrophobicContact CZ3-CB 3.5Å; W117-R124 VanDerWaalsContact CZ3-CB 3.5Å; W117-R124 HydrophobicContact CZ3-CG 3.86Å; W117-N200 VanDerWaalsContact CB-OD1 3.24Å; W117-N200 WeakPolarHBondContact CB-OD1 3.06Å; W117-N200 VanDerWaalsContact CD1-CG 3.44Å; W117-N200 HydrophobicContact CD2-CB 4.32Å; W117-N200 HydrophobicContact CG-CB 4.12Å
118L74.5Confident81.1Confident115 Ų11564.6 Ų64.660%0.60239%0.393SS*.G310 helixtrans-69.5-15.2172.7-65.7-176000112.8E115 P116E115-L118 HydrophobicContact CB-CB 4.41Å; E115-L118 HydrophobicContact CB-CD1 3.71Å; E115-L118 HydrophobicContact CB-CG 3.77Å; E115-L118 HydrophobicContact CG-CD1 4.35Å; E115-L118 WeakPolarHBondContact O-CB 3.48Å; E115-L118 PolarHBondContact O-N 3Å; E115-L118 WeakPolarHBondContact OE2-CD1 3.4Å; E115-L118 WeakPolarHBondContact OE2-CG 3.08Å; P116-L118 VanDerWaalsContact C-N 3.27Å; P116-L118 PolarHBondContact O-N 2.91Å
119H74.9Confident81.2Confident170 Ų17064.3 Ų64.379%0.78739%0.391SS*.G310 helixtrans-114.722-178.5-59.3-57.6000112.8P116 W117 G121P116-H119 PolarHBondContact O-N 2.9Å; P116-H119 VanDerWaalsContact O-N 3.1Å; W117-H119 PolarHBondContact O-N 2.91Å; H119-G121 VanDerWaalsContact C-N 3.34Å
120G71.4Confident81.4Confident77 Ų7762.9 Ų62.979%0.79438%0.379SS*.THydrogen-bonded Turntrans79.711.4178.500000114.8W117W117-G120 PolarHBondContact O-N 2.57Å
121G78.4Confident81.6Confident32 Ų3260.4 Ų60.433%0.3337%0.373SS..  trans-77.2174.8170.600000113.4P116 H119P116-G121 WeakPolarHBondContact O-CA 3.39Å; P116-G121 PolarHBondContact O-N 3.45Å; H119-G121 VanDerWaalsContact C-N 3.34Å
122P83.1Confident81.8Confident66 Ų6660 Ų6043%0.42937%0.372SS..  trans-62.714917926.4-34.6000112.2M126 L127P122-M126 HydrophobicContact CB-CB 4.4Å; P122-M126 HydrophobicContact CB-SD 4.39Å; P122-L127 HydrophobicContact CB-CD2 4.46Å; P122-L127 HydrophobicContact CB-CG 4.39Å; P122-L127 HydrophobicContact CG-CD1 4.27Å; P122-L127 HydrophobicContact CG-CD2 3.73Å; P122-L127 HydrophobicContact CG-CG 4Å
123S89.1Confident82.7Confident11 Ų1157 Ų578%0.07735%0.352CS..  trans-65.3155.9-177.862.20000112.4A125 M126 L127 E199 N200 Y207S123-A125 PolarHBondContact O-N 3.5Å; S123-M126 PolarHBondContact O-N 2.98Å; S123-L127 PolarHBondContact O-N 2.82Å; S123-L127 VanDerWaalsContact O-N 3.1Å; S123-E199 WeakPolarHBondContact CB-OE2 3.2Å; S123-E199 PolarHBondContact OG-OE2 2.8Å; S123-N200 WeakPolarHBondContact CB-OD1 3.45Å; S123-Y207 PolarHBondContact OG-OH 2.82Å
124R90.5Very high84Confident65 Ų6551.1 Ų51.125%0.24531%0.314CS..Hα-helixtrans-51.9-43.1176.5-170.5-162.9178.8-51.5-1.3111.4V111 W117 M126 L127 S128 N200V111-R124 HydrophobicContact CG2-CG 4.44Å; W117-R124 HydrophobicContact CD2-CB 4.42Å; W117-R124 HydrophobicContact CE3-CB 3.84Å; W117-R124 HydrophobicContact CH2-CB 3.77Å; W117-R124 HydrophobicContact CH2-CG 3.85Å; W117-R124 HydrophobicContact CZ2-CB 4.34Å; W117-R124 HydrophobicContact CZ3-CB 3.5Å; W117-R124 VanDerWaalsContact CZ3-CB 3.5Å; W117-R124 HydrophobicContact CZ3-CG 3.86Å; R124-M126 VanDerWaalsContact C-N 3.32Å; R124-M126 PolarHBondContact O-N 2.74Å; R124-L127 PolarHBondContact O-N 2.83Å; R124-S128 PolarHBondContact O-N 3.46Å; R124-S128 PolarHBondContact O-OG 3.23Å; R124-N200 WeakPolarHBondContact CB-O 3.49Å; R124-N200 WeakPolarHBondContact CD-O 3.37Å
125A90Very high85.1Confident0 Ų050.4 Ų50.40%030%0.297CS..Hα-helixtrans-58.9-41.8179.100000112.6S123 S128 E199 W204 R206 Y207S123-A125 PolarHBondContact O-N 3.5Å; A125-S128 PolarHBondContact O-OG 3.27Å; A125-E199 HydrophobicContact CB-CB 4.48Å; A125-E199 VanDerWaalsContact CB-O 3.31Å; A125-E199 WeakPolarHBondContact CB-O 3.46Å; A125-E199 PolarHBondContact N-O 2.95Å; A125-W204 VanDerWaalsContact O-CA 3.25Å; A125-W204 WeakPolarHBondContact O-CA 3.46Å; A125-W204 WeakPolarHBondContact O-CB 3.27Å; A125-W204 PolarHBondContact O-N 2.97Å; A125-W204 VanDerWaalsContact O-N 3.15Å; A125-R206 HydrophobicContact CB-CG 4.28Å; A125-Y207 HydrophobicContact CB-CE2 3.77Å
126M89.6Confident85.7Confident77 Ų7751 Ų5138%0.37930%0.295SS..Hα-helixtrans-67.2-41.7176.4-68.6-177.966.300112.4P122 S123 R124 S128 L129 L135 Y207P122-M126 HydrophobicContact CB-CB 4.4Å; P122-M126 HydrophobicContact CB-SD 4.39Å; S123-M126 PolarHBondContact O-N 2.98Å; R124-M126 VanDerWaalsContact C-N 3.32Å; R124-M126 PolarHBondContact O-N 2.74Å; M126-S128 VanDerWaalsContact C-N 3.26Å; M126-S128 PolarHBondContact O-N 2.79Å; M126-L129 WeakPolarHBondContact O-CB 3.29Å; M126-L129 PolarHBondContact O-N 2.91Å; M126-L135 HydrophobicContact CB-CD1 4.49Å; M126-L135 HydrophobicContact CG-CD1 4.22Å; M126-Y207 HydrophobicContact CG-CE2 4.1Å
127L88.1Confident85.8Confident48 Ų4851.8 Ų51.825%0.25130%0.301SS..Hα-helixtrans-68.4-25-178.9-70.2174.3000113.3V111 P112 P116 P122 S123 R124 L129V111-L127 HydrophobicContact CG1-CB 4.18Å; V111-L127 HydrophobicContact CG1-CD1 4.22Å; V111-L127 HydrophobicContact CG2-CB 4.3Å; P112-L127 HydrophobicContact CG-CD1 4.24Å; P116-L127 HydrophobicContact CG-CD1 3.75Å; P122-L127 HydrophobicContact CB-CD2 4.46Å; P122-L127 HydrophobicContact CB-CG 4.39Å; P122-L127 HydrophobicContact CG-CD1 4.27Å; P122-L127 HydrophobicContact CG-CD2 3.73Å; P122-L127 HydrophobicContact CG-CG 4Å; S123-L127 PolarHBondContact O-N 2.82Å; S123-L127 VanDerWaalsContact O-N 3.1Å; R124-L127 PolarHBondContact O-N 2.83Å; L127-L129 VanDerWaalsContact C-N 3.27Å; L127-L129 PolarHBondContact O-N 3.4Å
128S92.3Very high84.8Confident0 Ų054.8 Ų54.80%032%0.321CS..THydrogen-bonded Turntrans-78.3-2.5178.366.20000114.9A109 R124 A125 M126 P130 N203 W204A109-S128 PolarHBondContact N-O 3.38Å; R124-S128 PolarHBondContact O-N 3.46Å; R124-S128 PolarHBondContact O-OG 3.23Å; A125-S128 PolarHBondContact O-OG 3.27Å; M126-S128 VanDerWaalsContact C-N 3.26Å; M126-S128 PolarHBondContact O-N 2.79Å; S128-P130 WeakPolarHBondContact O-CD 3.06Å; S128-N203 VanDerWaalsContact OG-CA 3.27Å; S128-N203 WeakPolarHBondContact OG-CA 3.44Å; S128-N203 WeakPolarHBondContact OG-CB 3.48Å; S128-W204 PolarHBondContact OG-N 2.85Å
129L91.1Very high83.4Confident30 Ų3052.2 Ų52.216%0.15732%0.322CS..  trans-65.9121.1-175.4-174.276000112.3A109 M126 L127 L133 L135 V151 W204A109-L129 VanDerWaalsContact CB-O 3.26Å; A109-L129 WeakPolarHBondContact CB-O 3.28Å; M126-L129 WeakPolarHBondContact O-CB 3.29Å; M126-L129 PolarHBondContact O-N 2.91Å; L127-L129 VanDerWaalsContact C-N 3.27Å; L127-L129 PolarHBondContact O-N 3.4Å; L129-L133 HydrophobicContact CD1-CB 3.88Å; L129-L133 HydrophobicContact CD1-CD1 4.38Å; L129-L133 HydrophobicContact CG-CB 4.16Å; L129-L135 HydrophobicContact CD1-CD1 4.44Å; L129-L135 HydrophobicContact CD1-CG 4.19Å; L129-L135 HydrophobicContact CD2-CB 4.34Å; L129-L135 HydrophobicContact CD2-CD1 4.02Å; L129-L135 HydrophobicContact CD2-CG 3.83Å; L129-V151 HydrophobicContact CD1-CG1 4.37Å; L129-W204 HydrophobicContact CB-CB 4Å; L129-W204 HydrophobicContact CB-CG 4.46Å; L129-W204 HydrophobicContact CD1-CB 3.69Å; L129-W204 HydrophobicContact CD1-CD2 3.94Å; L129-W204 HydrophobicContact CD1-CE3 3.82Å; L129-W204 HydrophobicContact CD1-CG 3.91Å; L129-W204 HydrophobicContact CG-CB 4.48Å
130P93.3Very high81.6Confident4 Ų449.1 Ų49.13%0.02633%0.325CS..  trans-58.4147.6177.6-26.333.5000113.4V106 S128 C132 L133 W204V106-P130 HydrophobicContact CG1-CB 3.79Å; V106-P130 HydrophobicContact CG1-CG 4.16Å; S128-P130 WeakPolarHBondContact O-CD 3.06Å; P130-C132 PolarHBondContact O-N 3Å; P130-C132 VanDerWaalsContact O-N 3.1Å; P130-L133 HydrophobicContact CB-CD1 4.46Å; P130-L133 HydrophobicContact CG-CD1 4.28Å; P130-L133 PolarHBondContact O-N 3.06Å; P130-W204 VanDerWaalsContact CD-CD1 3.49Å; P130-W204 VanDerWaalsContact CD-CE2 3.42Å; P130-W204 VanDerWaalsContact CD-NE1 3.29Å; P130-W204 HydrophobicContact CG-CZ2 3.97Å
131A87.1Confident80.1Confident92 Ų9250.7 Ų50.776%0.7633%0.325SS*.THydrogen-bonded Turntrans-60.5-25.4-176.700000114L133A131-L133 PolarHBondContact O-N 3.15Å
132C87.9Confident78.3Confident26 Ų2655 Ų5518%0.17635%0.35CS..THydrogen-bonded Turntrans-771.9176.259.50000114.1P130 K154 L157P130-C132 PolarHBondContact O-N 3Å; P130-C132 VanDerWaalsContact O-N 3.1Å; C132-K154 WeakPolarHBondContact O-CB 3.49Å; C132-K154 PolarHBondContact O-N 3.32Å; C132-L157 HydrophobicContact CB-CD2 4.39Å
133L93.9Very high76Confident1 Ų155.2 Ų55.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-127161.6-177.2-58.1178000112.2L129 P130 A131 V151 Y152 K154 L157 F163 W204 L242L129-L133 HydrophobicContact CD1-CB 3.88Å; L129-L133 HydrophobicContact CD1-CD1 4.38Å; L129-L133 HydrophobicContact CG-CB 4.16Å; P130-L133 HydrophobicContact CB-CD1 4.46Å; P130-L133 HydrophobicContact CG-CD1 4.28Å; P130-L133 PolarHBondContact O-N 3.06Å; A131-L133 PolarHBondContact O-N 3.15Å; L133-V151 HydrophobicContact CB-CG1 4.16Å; L133-V151 HydrophobicContact CD1-CG1 4.09Å; L133-V151 HydrophobicContact CD2-CG1 4.42Å; L133-V151 HydrophobicContact CG-CG1 4.46Å; L133-Y152 CarbonylContact C-O 3.59Å; L133-Y152 WeakPolarHBondContact CA-O 3.17Å; L133-K154 VanDerWaalsContact O-CD 3.25Å; L133-K154 WeakPolarHBondContact O-CD 3.28Å; L133-K154 WeakPolarHBondContact O-CE 3.43Å; L133-K154 PolarHBondContact O-NZ 2.93Å; L133-L157 HydrophobicContact CD2-CD1 4.05Å; L133-F163 HydrophobicContact CD1-CE1 4.1Å; L133-F163 HydrophobicContact CD1-CZ 4.4Å; L133-W204 HydrophobicContact CD1-CD2 4.35Å; L133-W204 HydrophobicContact CD1-CE3 3.86Å; L133-W204 HydrophobicContact CD1-CH2 3.26Å; L133-W204 HydrophobicContact CD1-CZ2 3.8Å; L133-W204 HydrophobicContact CD1-CZ3 3.32Å; L133-L242 HydrophobicContact CD1-CD2 4.05Å; L133-L242 HydrophobicContact CD2-CD1 4.01Å; L133-L242 HydrophobicContact CD2-CD2 3.67Å
134S90.9Very high73.7Confident13 Ų1364.6 Ų64.69%0.09141%0.406CS..EExtended strand (participates in β ladder)trans-135142.9174.858.30000111V151 Y152 K154S134-V151 CarbonylContact O-C 3.6Å; S134-V151 WeakPolarHBondContact O-CA 3.47Å; S134-Y152 PolarHBondContact N-O 2.91Å; S134-Y152 PolarHBondContact O-N 3.01Å; S134-Y152 PolarHBondContact OG-O 3.11Å; S134-K154 VanDerWaalsContact CB-CE 3.5Å
135L90.4Very high71.2Confident39 Ų3970.2 Ų70.220%0.20444%0.435CS..EExtended strand (participates in β ladder)trans-95.6133.8167.4-77.6163.3000109M126 L129 L149 K150 V151 Y207M126-L135 HydrophobicContact CB-CD1 4.49Å; M126-L135 HydrophobicContact CG-CD1 4.22Å; L129-L135 HydrophobicContact CD1-CD1 4.44Å; L129-L135 HydrophobicContact CD1-CG 4.19Å; L129-L135 HydrophobicContact CD2-CB 4.34Å; L129-L135 HydrophobicContact CD2-CD1 4.02Å; L129-L135 HydrophobicContact CD2-CG 3.83Å; L135-L149 HydrophobicContact CD2-CB 4.36Å; L135-K150 WeakPolarHBondContact CA-O 3.23Å; L135-V151 HydrophobicContact CD2-CG2 3.68Å; L135-Y207 HydrophobicContact CD1-CD2 4Å; L135-Y207 HydrophobicContact CD1-CE2 4.18Å; L135-Y207 HydrophobicContact CD2-CD2 3.69Å; L135-Y207 HydrophobicContact CD2-CG 3.72Å
136R87.8Confident69.1Low121 Ų12178.6 Ų78.646%0.45747%0.474SS..EExtended strand (participates in β ladder)trans-130.7141.2175.2-55.3-179.9-174.2177-1.6109.4K150 Y152R136-K150 PolarHBondContact N-O 2.81Å; R136-K150 PolarHBondContact O-N 2.78Å; R136-Y152 HydrophobicContact CB-CD2 3.92Å; R136-Y152 HydrophobicContact CB-CE2 3.76Å; R136-Y152 HydrophobicContact CG-CD2 3.75Å; R136-Y152 HydrophobicContact CG-CE2 4.09Å
137S76.9Confident67.4Low54 Ų5482.3 Ų82.338%0.37849%0.493SS..EExtended strand (participates in β ladder)trans-97.6126.8170.1-179.50000107.9
138D60.2Low66.5Low110 Ų11084 Ų8459%0.58850%0.5SS*.  trans-85119.9176.5-136.6-1.5000109
139G44.4Very low66Low61 Ų6186.4 Ų86.463%0.62951%0.512SS*.  trans-88.7112.5-174.200000112.9
140A38.2Very low65.8Low104 Ų10487.3 Ų87.386%0.8651%0.514SS*.  trans52.7112148.900000120.3
141S38.1Very low65.8Low111 Ų11187.1 Ų87.178%0.77651%0.513SS*.  trans-137.7102.8133.6620000110.5
142S40.7Very low66.1Low122 Ų12284.2 Ų84.285%0.85348%0.483SS*.SBendtrans47.4107.8158.460.90000119.2
143G36.5Very low66.4Low70 Ų7083 Ų8372%0.72248%0.475SS*.SBendtrans128.8141.7168.100000110.9E145G143-E145 PolarHBondContact O-N 2.9Å
144E40.2Very low66.1Low209 Ų20988.2 Ų88.298%0.97750%0.497SS*.SBendtrans-66.364.4-173.9-63.3174.914500113.8
145E38.1Very low65.9Low183 Ų18390 Ų9086%0.85551%0.509SS*.  trans-113130.6171.8-69.4-174.3171.400110.2G143G143-E145 PolarHBondContact O-N 2.9Å
146Q45.8Very low65.8Low175 Ų17594 Ų9482%0.81853%0.527SS*.  trans-52.8134.9-175.3-71.2165.5-1800112E148Q146-E148 PolarHBondContact O-N 3.15Å
147M54.5Low65.9Low155 Ų15588.6 Ų88.676%0.76451%0.507SS*.  trans-51.1109.3169.8-93.7178.3166.700110.4
148E67.9Low66.4Low85 Ų8590.8 Ų90.840%0.39751%0.511SS..  trans-95.6120.8179.3-168.9170.2-168.200110.6Q146 R180Q146-E148 PolarHBondContact O-N 3.15Å; E148-R180 IonicContact OE1-CZ 3.63Å; E148-R180 IonicContact OE1-NE 3.68Å; E148-R180 IonicContact OE1-NH2 3.75Å; E148-R180 PolarHBondContact OE1-NH2 3.49Å; E148-R180 IonicContact OE2-NH2 3.88Å; E148-R180 PolarHBondContact OE2-NH2 3.43Å
149L82.9Confident67.8Low49 Ų4992 Ų9226%0.25751%0.514SS..EExtended strand (participates in β ladder)trans-79.5132.3175.1-70.2170.3000110.1L135 Y207L135-L149 HydrophobicContact CD2-CB 4.36Å; L149-Y207 HydrophobicContact CB-CD1 3.84Å; L149-Y207 HydrophobicContact CB-CE1 4.22Å; L149-Y207 HydrophobicContact CB-CG 4.44Å; L149-Y207 HydrophobicContact CD1-CD1 4.37Å; L149-Y207 HydrophobicContact CD1-CE1 3.93Å
150K86.9Confident69.6Low49 Ų4989.8 Ų89.821%0.21349%0.49CS..EExtended strand (participates in β ladder)trans-122.5151.4-179.2-66.6175174.1179.70111.5L135 R136 Y152 E241L135-K150 WeakPolarHBondContact CA-O 3.23Å; R136-K150 PolarHBondContact N-O 2.81Å; R136-K150 PolarHBondContact O-N 2.78Å; K150-Y152 HydrophobicContact CB-CE2 3.67Å; K150-E241 WeakPolarHBondContact CD-OE1 3.25Å
151V93.7Very high71.9Confident0 Ų085.7 Ų85.70%046%0.455CS..EExtended strand (participates in β ladder)trans-100.5132.7-177.3-175.40000111.3L129 L133 S134 L135 W204 V208 E241 L242L129-V151 HydrophobicContact CD1-CG1 4.37Å; L133-V151 HydrophobicContact CB-CG1 4.16Å; L133-V151 HydrophobicContact CD1-CG1 4.09Å; L133-V151 HydrophobicContact CD2-CG1 4.42Å; L133-V151 HydrophobicContact CG-CG1 4.46Å; S134-V151 CarbonylContact O-C 3.6Å; S134-V151 WeakPolarHBondContact O-CA 3.47Å; L135-V151 HydrophobicContact CD2-CG2 3.68Å; V151-W204 HydrophobicContact CG1-CE3 4.2Å; V151-W204 HydrophobicContact CG1-CZ3 4.01Å; V151-W204 HydrophobicContact CG2-CE3 4.2Å; V151-V208 HydrophobicContact CB-CG2 4.37Å; V151-V208 HydrophobicContact CG2-CG2 4.09Å; V151-E241 WeakPolarHBondContact O-CA 3.43Å; V151-L242 HydrophobicContact CB-CB 4.32Å; V151-L242 HydrophobicContact CG1-CB 4.34Å; V151-L242 HydrophobicContact CG1-CD2 3.93Å; V151-L242 HydrophobicContact CG1-CG 4.5Å; V151-L242 PolarHBondContact O-N 2.89Å
152Y92.7Very high74.3Confident32 Ų3282.6 Ų82.613%0.12543%0.429CS..EExtended strand (participates in β ladder)trans-129.1145.4178.8-62.4-99.6000111.6L133 S134 R136 K150 G239 A240 E241L133-Y152 CarbonylContact C-O 3.59Å; L133-Y152 WeakPolarHBondContact CA-O 3.17Å; S134-Y152 PolarHBondContact N-O 2.91Å; S134-Y152 PolarHBondContact O-N 3.01Å; S134-Y152 PolarHBondContact OG-O 3.11Å; R136-Y152 HydrophobicContact CB-CD2 3.92Å; R136-Y152 HydrophobicContact CB-CE2 3.76Å; R136-Y152 HydrophobicContact CG-CD2 3.75Å; R136-Y152 HydrophobicContact CG-CE2 4.09Å; K150-Y152 HydrophobicContact CB-CE2 3.67Å; Y152-G239 WeakPolarHBondContact CD1-O 3.3Å; Y152-A240 CarbonylContact C-O 3.48Å; Y152-A240 VanDerWaalsContact CA-O 3.29Å; Y152-A240 WeakPolarHBondContact CA-O 3.45Å; Y152-E241 HydrophobicContact CD1-CB 3.84Å; Y152-E241 HydrophobicContact CD1-CG 4.39Å; Y152-E241 HydrophobicContact CE1-CB 3.57Å; Y152-E241 HydrophobicContact CE1-CG 3.98Å
153A92.9Very high76.7Confident0 Ų076.8 Ų76.80%039%0.389CS..EExtended strand (participates in β ladder)trans-69.3132.3175.700000111.4L157 I236 G239 A240 L242A153-L157 HydrophobicContact CB-CD1 4.09Å; A153-L157 HydrophobicContact CB-CG 4.38Å; A153-I236 HydrophobicContact CB-CG2 3.88Å; A153-G239 WeakPolarHBondContact O-CA 3.4Å; A153-G239 PolarHBondContact O-N 2.84Å; A153-A240 PolarHBondContact N-O 3.07Å; A153-L242 HydrophobicContact CB-CD1 4.03Å
154K88.4Confident79.2Confident111 Ų11173.6 Ų73.648%0.48336%0.355SS..SBendtrans-93.9-9.1171.3-74.7-176.3178.1173.20113.4C132 L133 S134 E238C132-K154 WeakPolarHBondContact O-CB 3.49Å; C132-K154 PolarHBondContact O-N 3.32Å; L133-K154 VanDerWaalsContact O-CD 3.25Å; L133-K154 WeakPolarHBondContact O-CD 3.28Å; L133-K154 WeakPolarHBondContact O-CE 3.43Å; L133-K154 PolarHBondContact O-NZ 2.93Å; S134-K154 VanDerWaalsContact CB-CE 3.5Å; K154-E238 WeakPolarHBondContact O-CG 3.47Å
155C86.1Confident81.6Confident51 Ų5165.1 Ų65.135%0.34532%0.319SS..SBendtrans-148.1171.5174.564.30000109.4L157C155-L157 PolarHBondContact O-N 2.99Å
156Q88.2Confident84Confident121 Ų12156.7 Ų56.757%0.56528%0.279SS*.PPolyproline II helixtrans-69.3116.4176.5-171.6177.9-1.400111I236Q156-I236 CarbonylContact C-O 3.55Å; Q156-I236 VanDerWaalsContact CA-O 3.32Å; Q156-I236 WeakPolarHBondContact CA-O 3.27Å
157L90.1Very high86.1Confident8 Ų850.7 Ų50.74%0.04225%0.252CS..BIsolated β-bridgetrans-94.1124.2175.6-54.5172.3000109.3C132 L133 A153 C155 F163 V232 S235 I236 L242C132-L157 HydrophobicContact CB-CD2 4.39Å; L133-L157 HydrophobicContact CD2-CD1 4.05Å; A153-L157 HydrophobicContact CB-CD1 4.09Å; A153-L157 HydrophobicContact CB-CG 4.38Å; C155-L157 PolarHBondContact O-N 2.99Å; L157-F163 HydrophobicContact CD1-CE2 4.24Å; L157-F163 HydrophobicContact CD1-CZ 3.96Å; L157-F163 HydrophobicContact CD2-CZ 4.3Å; L157-V232 HydrophobicContact CB-CG2 4.28Å; L157-S235 CarbonylContact O-C 3.44Å; L157-S235 VanDerWaalsContact O-CA 3.24Å; L157-S235 WeakPolarHBondContact O-CA 3.24Å; L157-I236 HydrophobicContact CB-CB 4.15Å; L157-I236 HydrophobicContact CD1-CB 4.45Å; L157-I236 HydrophobicContact CD1-CD1 4.24Å; L157-I236 PolarHBondContact N-O 2.82Å; L157-I236 PolarHBondContact O-N 2.62Å; L157-L242 HydrophobicContact CD1-CD1 4.48Å
158Q88.1Confident87.7Confident100 Ų10044.3 Ų44.347%0.46723%0.226SC..PPolyproline II helixtrans-78.3151.6179.2-61.5-57-37.900111.6G160 V161 V232 S235Q158-G160 PolarHBondContact O-N 3.09Å; Q158-V161 VanDerWaalsContact O-CG2 3.29Å; Q158-V161 WeakPolarHBondContact O-CG2 3.41Å; Q158-V161 PolarHBondContact O-N 3.13Å; Q158-V232 WeakPolarHBondContact O-CG1 3.47Å; Q158-S235 PolarHBondContact OE1-OG 3.14Å
159Q89.1Confident88.6Confident137 Ų13744.4 Ų44.464%0.6423%0.226SC*.THydrogen-bonded Turntrans-52.4130.2170.2-176.8179.938.600110.5S233 S235Q159-S233 WeakPolarHBondContact CG-O 3.38Å; Q159-S233 PolarHBondContact NE2-O 3.08Å; Q159-S235 PolarHBondContact N-OG 3.24Å
160G82Confident88.7Confident13 Ų1346.5 Ų46.513%0.13424%0.241CC..THydrogen-bonded Turntrans96.4-4.5178.500000116.1Q158 V232Q158-G160 PolarHBondContact O-N 3.09Å; G160-V232 PolarHBondContact N-O 2.85Å
161V88.3Confident88.1Confident19 Ų1945.9 Ų45.912%0.11524%0.243CC..  trans-60.5136.8169.5171.50000110.3N104 V106 Q158 F163 K231 V232N104-V161 CarbonylContact O-C 3.58Å; N104-V161 WeakPolarHBondContact O-CA 3.29Å; V106-V161 HydrophobicContact CG2-CG1 3.81Å; Q158-V161 VanDerWaalsContact O-CG2 3.29Å; Q158-V161 WeakPolarHBondContact O-CG2 3.41Å; Q158-V161 PolarHBondContact O-N 3.13Å; V161-F163 HydrophobicContact CG1-CE1 4.44Å; V161-F163 HydrophobicContact CG1-CE2 3.96Å; V161-F163 HydrophobicContact CG1-CZ 3.88Å; V161-K231 CarbonylContact O-C 3.6Å; V161-K231 WeakPolarHBondContact O-CA 3.34Å; V161-V232 HydrophobicContact CB-CB 4.27Å; V161-V232 HydrophobicContact CB-CG2 3.86Å; V161-V232 HydrophobicContact CG1-CG2 4.35Å; V161-V232 PolarHBondContact O-N 3.46Å
162L88.6Confident86.9Confident46 Ų4654.1 Ų54.124%0.24128%0.278CS..EExtended strand (participates in β ladder)trans-113.9136.4-174.6-70.6166.8000111.5N104 Y105 V106 F222 Y230 K231N104-L162 WeakPolarHBondContact O-CB 3.44Å; N104-L162 PolarHBondContact O-N 3.06Å; Y105-L162 HydrophobicContact CD2-CB 3.85Å; V106-L162 PolarHBondContact N-O 3.06Å; L162-F222 HydrophobicContact CD2-CE1 3.37Å; L162-F222 HydrophobicContact CD2-CZ 3.44Å; L162-F222 VanDerWaalsContact CD2-CZ 3.44Å; L162-Y230 WeakPolarHBondContact CA-O 3.38Å; L162-K231 HydrophobicContact CD2-CB 3.7Å; L162-K231 HydrophobicContact CD2-CD 4.07Å; L162-K231 HydrophobicContact CD2-CG 3.74Å; L162-K231 HydrophobicContact CG-CG 4.47Å
163F90.6Very high85.2Confident0 Ų056.2 Ų56.20%031%0.31CS..EExtended strand (participates in β ladder)trans-124.8142.2175.3-62.7-74.2000110.4V106 L133 L157 V161 W204 L219 Y229 Y230 V232V106-F163 HydrophobicContact CB-CD1 3.79Å; V106-F163 HydrophobicContact CB-CE1 3.67Å; V106-F163 HydrophobicContact CG1-CD1 4.11Å; V106-F163 HydrophobicContact CG1-CE1 3.82Å; V106-F163 HydrophobicContact CG2-CE1 4.04Å; L133-F163 HydrophobicContact CD1-CE1 4.1Å; L133-F163 HydrophobicContact CD1-CZ 4.4Å; L157-F163 HydrophobicContact CD1-CE2 4.24Å; L157-F163 HydrophobicContact CD1-CZ 3.96Å; L157-F163 HydrophobicContact CD2-CZ 4.3Å; V161-F163 HydrophobicContact CG1-CE1 4.44Å; V161-F163 HydrophobicContact CG1-CE2 3.96Å; V161-F163 HydrophobicContact CG1-CZ 3.88Å; F163-W204 HydrophobicContact CB-CH2 4.09Å; F163-W204 HydrophobicContact CB-CZ2 3.83Å; F163-W204 AromaticContact CD1-CH2 3.9Å; F163-W204 HydrophobicContact CD1-CH2 3.9Å; F163-W204 AromaticContact CD1-CZ2 3.64Å; F163-W204 HydrophobicContact CD1-CZ2 3.64Å; F163-W204 HydrophobicContact CD2-CH2 4.41Å; F163-W204 HydrophobicContact CE1-CH2 4.42Å; F163-W204 HydrophobicContact CE1-CZ2 4.41Å; F163-W204 AromaticContact CG-CH2 3.89Å; F163-W204 HydrophobicContact CG-CH2 3.89Å; F163-W204 AromaticContact CG-CZ2 3.87Å; F163-W204 HydrophobicContact CG-CZ2 3.87Å; F163-L219 HydrophobicContact CD2-CD2 4.4Å; F163-L219 HydrophobicContact CE2-CD2 4.48Å; F163-Y229 WeakPolarHBondContact O-CA 3.31Å; F163-Y230 PolarHBondContact N-O 3.43Å; F163-Y230 PolarHBondContact O-N 2.93Å; F163-V232 HydrophobicContact CD2-CG2 4.5Å; F163-V232 HydrophobicContact CE2-CG2 3.81Å
164G87.9Confident83.7Confident2 Ų263.6 Ų63.62%0.02134%0.344CS..  trans145.2-167.1173.300000113.9Y105 M205Y105-G164 PolarHBondContact OH-O 2.84Å; G164-M205 VanDerWaalsContact CA-SD 3.57Å
165P91Very high82.6Confident32 Ų3260.7 Ų60.721%0.20833%0.333CS..  cis-68.5154.9-5.329.9-35.1000112.8L167 N203 H227 I228 Y229P165-L167 HydrophobicContact CG-CD2 4.09Å; P165-N203 PolarHBondContact O-ND2 2.79Å; P165-H227 HydrophobicContact CB-CB 3.79Å; P165-I228 CarbonylContact C-O 3.42Å; P165-I228 WeakPolarHBondContact CA-O 3.24Å; P165-Y229 HydrophobicContact CB-CE1 4.03Å; P165-Y229 HydrophobicContact CB-CE2 4.46Å
166F89.5Confident81.7Confident6 Ų658.8 Ų58.83%0.02632%0.32CS..  trans-67128.1168.9-174.4-90.8000109.8W183 V194 A196 M205 I228F166-W183 AromaticContact CD1-CD1 3.76Å; F166-W183 AromaticContact CD2-CD1 3.98Å; F166-W183 AromaticContact CE1-CD1 3.63Å; F166-W183 AromaticContact CE2-CD1 3.88Å; F166-W183 AromaticContact CE2-NE1 3.91Å; F166-W183 AromaticContact CG-CD1 3.93Å; F166-W183 AromaticContact CZ-CD1 3.7Å; F166-V194 HydrophobicContact CD1-CG1 4.03Å; F166-V194 HydrophobicContact CE1-CG1 4.26Å; F166-A196 HydrophobicContact CE1-CB 3.54Å; F166-A196 HydrophobicContact CE2-CB 4.44Å; F166-A196 HydrophobicContact CZ-CB 3.39Å; F166-M205 HydrophobicContact CB-CE 4.18Å; F166-M205 HydrophobicContact CB-SD 4.19Å; F166-M205 HydrophobicContact CD2-CB 3.59Å; F166-M205 HydrophobicContact CD2-CE 4.38Å; F166-M205 HydrophobicContact CD2-SD 4.45Å; F166-M205 HydrophobicContact CE2-CB 4.05Å; F166-I228 HydrophobicContact CB-CB 3.93Å; F166-I228 HydrophobicContact CB-CG2 4.17Å; F166-I228 PolarHBondContact N-O 3.33Å
167L90Very high80.6Confident49 Ų4959.1 Ų59.126%0.25734%0.335SS..  trans-111.8143.8-174.1-61.6-177.4000112P165 A196 S202 N203P165-L167 HydrophobicContact CG-CD2 4.09Å; L167-A196 WeakPolarHBondContact O-CB 3.29Å; L167-S202 VanDerWaalsContact O-CA 3.27Å; L167-S202 WeakPolarHBondContact O-CA 3.48Å; L167-S202 VanDerWaalsContact O-CB 3.25Å; L167-S202 WeakPolarHBondContact O-CB 3.4Å; L167-N203 HydrophobicContact CB-CB 4.13Å; L167-N203 HydrophobicContact CD1-CB 4.21Å; L167-N203 HydrophobicContact CG-CB 4.31Å; L167-N203 PolarHBondContact N-OD1 3.22Å; L167-N203 VanDerWaalsContact N-OD1 3.11Å
168G87.2Confident79.4Confident20 Ų2061.8 Ų61.821%0.20635%0.35CS..  trans178.2-176.9178.100000111.1D195 K201G168-D195 CarbonylContact C-O 3.58Å; G168-D195 VanDerWaalsContact CA-O 3.28Å; G168-D195 WeakPolarHBondContact CA-O 3.29Å; G168-K201 WeakPolarHBondContact CA-O 3.2Å
169E86.8Confident78.6Confident87 Ų8757.5 Ų57.541%0.40733%0.33SS..EExtended strand (participates in β ladder)trans-76.4133.7175.4-67.2-164.513100111.4C171 V194 D195 K201E169-C171 PolarHBondContact O-N 2.96Å; E169-V194 CarbonylContact O-C 3.5Å; E169-V194 WeakPolarHBondContact O-CA 3.39Å; E169-D195 PolarHBondContact N-O 3.24Å; E169-D195 PolarHBondContact O-N 3.23Å; E169-K201 VanDerWaalsContact CD-CD 3.49Å; E169-K201 HydrophobicContact CG-CB 4.2Å; E169-K201 HydrophobicContact CG-CD 3.53Å; E169-K201 WeakPolarHBondContact OE1-CD 3.46Å; E169-K201 VanDerWaalsContact OE1-CE 3.31Å; E169-K201 WeakPolarHBondContact OE1-CE 3.42Å; E169-K201 IonicContact OE1-NZ 3.58Å; E169-K201 PolarHBondContact OE1-NZ 3.32Å
170V84.1Confident77.8Confident93 Ų9355.2 Ų55.256%0.56432%0.315SS*.EExtended strand (participates in β ladder)trans-89.3111-179-174.30000110.5T192 Y193 V194V170-T192 HydrophobicContact CG1-CG2 4.5Å; V170-Y193 CarbonylContact C-O 3.59Å; V170-Y193 WeakPolarHBondContact CA-O 3.38Å; V170-V194 HydrophobicContact CG2-CG2 4.32Å
171C76.1Confident77.7Confident37 Ų3756.5 Ų56.525%0.2532%0.317CS..EExtended strand (participates in β ladder)trans-95122.6174.7-55.20000110.4E169 Y193E169-C171 PolarHBondContact O-N 2.96Å; C171-Y193 PolarHBondContact N-O 3.36Å; C171-Y193 PolarHBondContact O-N 3.41Å
172K67.4Low77.4Confident173 Ų17355.7 Ų55.775%0.75231%0.312SS*.EExtended strand (participates in β ladder)trans-97.9116.9178.1-65.9-175.1179-179.70110.5Q174 T192K172-Q174 PolarHBondContact O-N 3.1Å; K172-Q174 VanDerWaalsContact O-N 3.1Å; K172-T192 HydrophobicContact CG-CG2 3.98Å
173G57.9Low77.2Confident76 Ų7653.5 Ų53.578%0.78430%0.3SS*.SBendtrans71.1-1.2171.500000116.3
174Q60.3Low76.8Confident155 Ų15553.5 Ų53.572%0.72430%0.3SS*.SBendtrans-122.7125.6175.7-159.4171.410.500108.9K172K172-Q174 PolarHBondContact O-N 3.1Å; K172-Q174 VanDerWaalsContact O-N 3.1Å
175M65.2Low76.5Confident50 Ų5053.7 Ų53.725%0.24630%0.301CS..  trans-71.9133.1-178.1-171.8167.472.100110.1L179 R274M175-L179 HydrophobicContact CE-CD1 4.42Å; M175-L179 HydrophobicContact CG-CD2 3.78Å; M175-L179 HydrophobicContact SD-CD1 4.23Å; M175-L179 HydrophobicContact SD-CD2 4.18Å; M175-R274 HydrophobicContact CE-CG 3.92Å
176P67.4Low75.7Confident10 Ų1055.2 Ų55.27%0.06530%0.302CS..  trans-58.2145.4176-25.535.1000111.9N178 A182 Y193 D195P176-N178 VanDerWaalsContact C-N 3.26Å; P176-N178 PolarHBondContact O-N 2.95Å; P176-A182 HydrophobicContact CB-CB 4.23Å; P176-A182 HydrophobicContact CG-CB 4.01Å; P176-Y193 HydrophobicContact CG-CG 4.27Å; P176-D195 HydrophobicContact CB-CB 4.16Å; P176-D195 HydrophobicContact CG-CB 4.04Å
177S64.5Low74.6Confident128 Ų12856.5 Ų56.590%0.89531%0.31SS*.SBendtrans-69.6-25.517951.60000112.9
178N66.5Low73.3Confident64 Ų6460.3 Ų60.334%0.34233%0.33SS..  trans-120.2102178.1-170.7-8.7000110.7P176 R180P176-N178 VanDerWaalsContact C-N 3.26Å; P176-N178 PolarHBondContact O-N 2.95Å; N178-R180 PolarHBondContact O-N 3.47Å; N178-R180 WeakPolarHBondContact OD1-CB 3.43Å; N178-R180 PolarHBondContact OD1-N 3.28Å
179L69.3Low71.7Confident10 Ų1067.9 Ų67.95%0.05236%0.358CS..G310 helixtrans-80.2-5-176.3-61.5177.2000113.5M175 Y181 K269 E270 L273M175-L179 HydrophobicContact CE-CD1 4.42Å; M175-L179 HydrophobicContact CG-CD2 3.78Å; M175-L179 HydrophobicContact SD-CD1 4.23Å; M175-L179 HydrophobicContact SD-CD2 4.18Å; L179-Y181 PolarHBondContact O-N 2.72Å; L179-K269 PolarHBondContact O-NZ 3.49Å; L179-E270 HydrophobicContact CB-CG 4.29Å; L179-E270 HydrophobicContact CD1-CB 4.24Å; L179-E270 HydrophobicContact CD1-CG 4.13Å; L179-L273 HydrophobicContact CB-CD1 4.09Å; L179-L273 HydrophobicContact CD1-CB 4.06Å; L179-L273 HydrophobicContact CD1-CD1 4.3Å; L179-L273 HydrophobicContact CD2-CD1 4.02Å; L179-L273 HydrophobicContact CG-CD1 4.36Å
180R72.3Confident70.8Confident89 Ų8966.3 Ų66.334%0.33636%0.36SS..G310 helixtrans-59.6-46.4178-172.7178.5-175.5172.39111.5E148 N178 Y210 K269E148-R180 IonicContact OE1-CZ 3.63Å; E148-R180 IonicContact OE1-NE 3.68Å; E148-R180 IonicContact OE1-NH2 3.75Å; E148-R180 PolarHBondContact OE1-NH2 3.49Å; E148-R180 IonicContact OE2-NH2 3.88Å; E148-R180 PolarHBondContact OE2-NH2 3.43Å; N178-R180 PolarHBondContact O-N 3.47Å; N178-R180 WeakPolarHBondContact OD1-CB 3.43Å; N178-R180 PolarHBondContact OD1-N 3.28Å; R180-Y210 VanDerWaalsContact O-CE2 3.23Å; R180-Y210 WeakPolarHBondContact O-CE2 3.41Å; R180-Y210 PolarHBondContact O-OH 3.1Å; R180-K269 PolarHBondContact O-NZ 3.01Å
181Y80.4Confident70.2Confident41 Ų4163.4 Ų63.416%0.16134%0.34CS..G310 helixtrans-104.615.1-175.9-54.7-67.4000113.6L179 A196 R206L179-Y181 PolarHBondContact O-N 2.72Å; Y181-A196 VanDerWaalsContact O-CB 3.3Å; Y181-A196 WeakPolarHBondContact O-CB 3.27Å; Y181-A196 PolarHBondContact O-N 2.83Å; Y181-R206 HydrophobicContact CD1-CB 4.33Å
182A83.1Confident70.4Confident1 Ų162.3 Ų62.31%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-108.7147.7-176.100000112.8P176 V194 K269P176-A182 HydrophobicContact CB-CB 4.23Å; P176-A182 HydrophobicContact CG-CB 4.01Å; A182-V194 VanDerWaalsContact CA-O 3.25Å; A182-V194 WeakPolarHBondContact CA-O 3.27Å; A182-K269 PolarHBondContact O-NZ 2.81Å; A182-K269 VanDerWaalsContact O-NZ 3.08Å
183W84.4Confident71.2Confident1 Ų154.7 Ų54.70%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-126.6139.8168.9-74110.1000111F166 Y193 V194 Y210 V221 I228 Y230 I246 Y250F166-W183 AromaticContact CD1-CD1 3.76Å; F166-W183 AromaticContact CD2-CD1 3.98Å; F166-W183 AromaticContact CE1-CD1 3.63Å; F166-W183 AromaticContact CE2-CD1 3.88Å; F166-W183 AromaticContact CE2-NE1 3.91Å; F166-W183 AromaticContact CG-CD1 3.93Å; F166-W183 AromaticContact CZ-CD1 3.7Å; W183-Y193 WeakPolarHBondContact O-CA 3.36Å; W183-V194 PolarHBondContact N-O 3.37Å; W183-V194 PolarHBondContact O-N 3.5Å; W183-Y210 HydrophobicContact CH2-CE1 4.32Å; W183-Y210 AromaticContact CZ2-CE1 3.85Å; W183-Y210 HydrophobicContact CZ2-CE1 3.85Å; W183-V221 HydrophobicContact CH2-CB 4.08Å; W183-V221 HydrophobicContact CH2-CG1 3.99Å; W183-V221 HydrophobicContact CH2-CG2 3.56Å; W183-V221 HydrophobicContact CZ2-CB 4.45Å; W183-V221 HydrophobicContact CZ2-CG1 4.13Å; W183-V221 HydrophobicContact CZ2-CG2 3.7Å; W183-V221 HydrophobicContact CZ3-CG1 4.22Å; W183-V221 HydrophobicContact CZ3-CG2 4.48Å; W183-I228 HydrophobicContact CB-CG1 3.95Å; W183-I228 HydrophobicContact CD2-CG2 4.46Å; W183-I228 HydrophobicContact CG-CG1 4.35Å; W183-I228 HydrophobicContact CG-CG2 4.25Å; W183-Y230 AromaticContact CZ2-CE1 3.95Å; W183-Y230 HydrophobicContact CZ2-CE1 3.95Å; W183-Y230 AromaticContact NE1-CE1 3.94Å; W183-Y230 AromaticContact NE1-CZ 3.86Å; W183-Y230 PolarHBondContact NE1-OH 2.74Å; W183-I246 HydrophobicContact CH2-CD1 4.45Å; W183-I246 HydrophobicContact CH2-CG1 3.58Å; W183-I246 HydrophobicContact CZ2-CG1 4.49Å; W183-I246 HydrophobicContact CZ3-CG1 4.05Å; W183-I246 HydrophobicContact CZ3-CG2 4.33Å; W183-Y250 HydrophobicContact CE3-CD1 4.31Å; W183-Y250 HydrophobicContact CE3-CD2 4.21Å; W183-Y250 AromaticContact CE3-CE1 3.65Å; W183-Y250 HydrophobicContact CE3-CE1 3.65Å; W183-Y250 AromaticContact CE3-CE2 3.59Å; W183-Y250 HydrophobicContact CE3-CE2 3.59Å; W183-Y250 AromaticContact CE3-CZ 3.28Å; W183-Y250 AromaticContact CZ3-CD1 3.74Å; W183-Y250 HydrophobicContact CZ3-CD1 3.74Å; W183-Y250 AromaticContact CZ3-CD2 3.83Å; W183-Y250 HydrophobicContact CZ3-CD2 3.83Å; W183-Y250 AromaticContact CZ3-CE1 3.54Å; W183-Y250 HydrophobicContact CZ3-CE1 3.54Å; W183-Y250 AromaticContact CZ3-CE2 3.69Å; W183-Y250 HydrophobicContact CZ3-CE2 3.69Å; W183-Y250 AromaticContact CZ3-CG 3.87Å; W183-Y250 HydrophobicContact CZ3-CG 3.87Å; W183-Y250 AromaticContact CZ3-CZ 3.56Å
184A82.3Confident72.5Confident0 Ų051.6 Ų51.60%026%0.264CS..EExtended strand (participates in β ladder)trans-84.5135.2168.600000110.3Y193 Y250 L254 L273 L276A184-Y193 HydrophobicContact CB-CD1 3.87Å; A184-Y193 HydrophobicContact CB-CE1 3.69Å; A184-Y250 WeakPolarHBondContact CA-OH 3.5Å; A184-Y250 WeakPolarHBondContact CB-OH 3.32Å; A184-Y250 PolarHBondContact N-OH 3.48Å; A184-Y250 PolarHBondContact O-OH 3.36Å; A184-L254 HydrophobicContact CB-CD2 3.99Å; A184-L273 HydrophobicContact CB-CD2 3.92Å; A184-L276 HydrophobicContact CB-CD1 3.72Å
185I79.9Confident73.8Confident6 Ų645.3 Ų45.33%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-116.1121.8175.9-57.5-169.9000107.1T192 V194 Q223 R226 I228I185-T192 WeakPolarHBondContact CA-O 3.35Å; I185-T192 PolarHBondContact N-O 3.39Å; I185-T192 PolarHBondContact O-N 2.85Å; I185-T192 PolarHBondContact O-OG1 3.2Å; I185-V194 HydrophobicContact CD1-CB 4.5Å; I185-V194 HydrophobicContact CD1-CG2 3.36Å; I185-V194 HydrophobicContact CG1-CG2 4.11Å; I185-Q223 HydrophobicContact CG2-CG 4.29Å; I185-R226 VanDerWaalsContact CD1-O 3.32Å; I185-R226 WeakPolarHBondContact CD1-O 3.47Å; I185-R226 HydrophobicContact CG2-CB 4.23Å; I185-I228 HydrophobicContact CD1-CG1 4.13Å; I185-I228 HydrophobicContact CG1-CD1 4.15Å; I185-I228 HydrophobicContact CG1-CG1 3.93Å
186R75.4Confident74.9Confident63 Ų6342.9 Ų42.924%0.23822%0.224CC..EExtended strand (participates in β ladder)trans-80.7118.9178.2-173.2175176.3-179.6-1.9110.1F191 Q223 L253 V282R186-F191 HydrophobicContact CB-CD1 4.14Å; R186-F191 HydrophobicContact CB-CE1 3.85Å; R186-F191 HydrophobicContact CG-CD1 4.39Å; R186-F191 HydrophobicContact CG-CE1 3.83Å; R186-F191 HydrophobicContact CG-CZ 4.45Å; R186-Q223 PolarHBondContact O-NE2 2.89Å; R186-L253 WeakPolarHBondContact CD-O 3.17Å; R186-L253 PolarHBondContact NH1-O 2.9Å; R186-V282 PolarHBondContact NH2-O 3.42Å
187D66.6Low75.7Confident34 Ų3444.3 Ų44.318%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-102.5163.9170.1-159.814.7000109.6F189 A190 R226D187-F189 PolarHBondContact O-N 2.76Å; D187-A190 WeakPolarHBondContact CA-O 3.29Å; D187-A190 WeakPolarHBondContact CB-O 3.43Å; D187-A190 PolarHBondContact N-O 3.42Å; D187-A190 PolarHBondContact O-N 2.68Å; D187-R226 IonicContact OD1-CZ 3.01Å; D187-R226 VanDerWaalsContact OD1-CZ 3.23Å; D187-R226 IonicContact OD1-NE 2.74Å; D187-R226 IonicContact OD1-NH1 3.31Å; D187-R226 PolarHBondContact OD1-NH1 3.34Å; D187-R226 IonicContact OD1-NH2 2.76Å; D187-R226 IonicContact OD2-CZ 3.81Å; D187-R226 IonicContact OD2-NH1 2.71Å; D187-R226 PolarHBondContact OD2-NH1 3.33Å; D187-R226 IonicContact OD2-NH2 2.86Å; D187-R226 PolarHBondContact OD2-NH2 3.02Å
188D62.3Low76.7Confident128 Ų12840.7 Ų40.768%0.68421%0.205SC*.THydrogen-bonded Turntrans-56.7-21.5-173.9-65.6-31.3000113.5
189F54.2Low77.8Confident179 Ų17941 Ų4179%0.78520%0.204SC*.THydrogen-bonded Turntrans-136.1-0-176-52.7-74.8000114.9D187D187-F189 PolarHBondContact O-N 2.76Å
190A67.3Low78.7Confident55 Ų5543.2 Ų43.246%0.45522%0.216SC..EExtended strand (participates in β ladder)trans-164.6165.2-176.700000113.2D187D187-A190 WeakPolarHBondContact CA-O 3.29Å; D187-A190 WeakPolarHBondContact CB-O 3.43Å; D187-A190 PolarHBondContact N-O 3.42Å; D187-A190 PolarHBondContact O-N 2.68Å
191F72.4Confident79.3Confident32 Ų3243.8 Ų43.814%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-94.9134.7165-66.7-78000111R186 L254 L276 V279R186-F191 HydrophobicContact CB-CD1 4.14Å; R186-F191 HydrophobicContact CB-CE1 3.85Å; R186-F191 HydrophobicContact CG-CD1 4.39Å; R186-F191 HydrophobicContact CG-CE1 3.83Å; R186-F191 HydrophobicContact CG-CZ 4.45Å; F191-L254 HydrophobicContact CD1-CD2 4.11Å; F191-L254 HydrophobicContact CE1-CD2 3.64Å; F191-L276 HydrophobicContact CE1-CD2 4.33Å; F191-L276 HydrophobicContact CE2-CD2 4.25Å; F191-L276 HydrophobicContact CZ-CD2 4.01Å; F191-V279 HydrophobicContact CE2-CB 4.44Å; F191-V279 HydrophobicContact CE2-CG1 4.4Å
192T79.8Confident79.8Confident13 Ų1341.9 Ų41.98%0.0821%0.213CC..EExtended strand (participates in β ladder)trans-113.8142.9168.332.60000109.4V170 K172 I185V170-T192 HydrophobicContact CG1-CG2 4.5Å; K172-T192 HydrophobicContact CG-CG2 3.98Å; I185-T192 WeakPolarHBondContact CA-O 3.35Å; I185-T192 PolarHBondContact N-O 3.39Å; I185-T192 PolarHBondContact O-N 2.85Å; I185-T192 PolarHBondContact O-OG1 3.2Å
193Y82.8Confident80.3Confident14 Ų1441.8 Ų41.86%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-107.1142178.4-59.7-87.6000109.9V170 C171 P176 W183 A184 L273 L276V170-Y193 CarbonylContact C-O 3.59Å; V170-Y193 WeakPolarHBondContact CA-O 3.38Å; C171-Y193 PolarHBondContact N-O 3.36Å; C171-Y193 PolarHBondContact O-N 3.41Å; P176-Y193 HydrophobicContact CG-CG 4.27Å; W183-Y193 WeakPolarHBondContact O-CA 3.36Å; A184-Y193 HydrophobicContact CB-CD1 3.87Å; A184-Y193 HydrophobicContact CB-CE1 3.69Å; Y193-L273 HydrophobicContact CE1-CD2 4.47Å; Y193-L276 HydrophobicContact CE1-CD1 4.44Å
194V86.3Confident80.8Confident11 Ų1141.8 Ų41.87%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-109115.2167.8-179.60000107.4F166 E169 V170 A182 W183 I185F166-V194 HydrophobicContact CD1-CG1 4.03Å; F166-V194 HydrophobicContact CE1-CG1 4.26Å; E169-V194 CarbonylContact O-C 3.5Å; E169-V194 WeakPolarHBondContact O-CA 3.39Å; V170-V194 HydrophobicContact CG2-CG2 4.32Å; A182-V194 VanDerWaalsContact CA-O 3.25Å; A182-V194 WeakPolarHBondContact CA-O 3.27Å; W183-V194 PolarHBondContact N-O 3.37Å; W183-V194 PolarHBondContact O-N 3.5Å; I185-V194 HydrophobicContact CD1-CB 4.5Å; I185-V194 HydrophobicContact CD1-CG2 3.36Å; I185-V194 HydrophobicContact CG1-CG2 4.11Å
195D86.8Confident81.3Confident22 Ų2241.9 Ų41.912%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-101.8113.5-179.4-175.1-0.7000110.4G168 E169 P176 S197G168-D195 CarbonylContact C-O 3.58Å; G168-D195 VanDerWaalsContact CA-O 3.28Å; G168-D195 WeakPolarHBondContact CA-O 3.29Å; E169-D195 PolarHBondContact N-O 3.24Å; E169-D195 PolarHBondContact O-N 3.23Å; P176-D195 HydrophobicContact CB-CB 4.16Å; P176-D195 HydrophobicContact CG-CB 4.04Å; D195-S197 WeakPolarHBondContact OD1-CB 3.37Å; D195-S197 PolarHBondContact OD1-N 3.24Å; D195-S197 PolarHBondContact OD1-OG 2.78Å
196A88.3Confident81.8Confident0 Ų042.2 Ų42.20%021%0.214CC..  trans-98.221.7178.600000113.4F166 L167 Y181 D198 R206F166-A196 HydrophobicContact CE1-CB 3.54Å; F166-A196 HydrophobicContact CE2-CB 4.44Å; F166-A196 HydrophobicContact CZ-CB 3.39Å; L167-A196 WeakPolarHBondContact O-CB 3.29Å; Y181-A196 VanDerWaalsContact O-CB 3.3Å; Y181-A196 WeakPolarHBondContact O-CB 3.27Å; Y181-A196 PolarHBondContact O-N 2.83Å; A196-D198 VanDerWaalsContact C-N 3.3Å; A196-D198 PolarHBondContact O-N 2.72Å; A196-R206 HydrophobicContact CB-CB 4.14Å; A196-R206 PolarHBondContact O-NE 2.96Å
197S85.6Confident82.6Confident40 Ų4039.9 Ų39.928%0.2821%0.205SC..  trans-60.4-38.4178.1-64.90000112.4D195 E199 R206D195-S197 WeakPolarHBondContact OD1-CB 3.37Å; D195-S197 PolarHBondContact OD1-N 3.24Å; D195-S197 PolarHBondContact OD1-OG 2.78Å; S197-E199 PolarHBondContact O-N 3.36Å; S197-R206 PolarHBondContact O-NH2 3.17Å
198D85.8Confident83.7Confident52 Ų5238.5 Ų38.528%0.27820%0.198SC..SBendtrans-78.7111.6174.4-174.2-14.9000110.7A196 N200 K201 S202A196-D198 VanDerWaalsContact C-N 3.3Å; A196-D198 PolarHBondContact O-N 2.72Å; D198-N200 PolarHBondContact O-N 2.9Å; D198-N200 WeakPolarHBondContact OD1-CB 3.45Å; D198-N200 PolarHBondContact OD1-N 3.45Å; D198-K201 HydrophobicContact CB-CB 4.23Å; D198-K201 HydrophobicContact CB-CD 4.43Å; D198-K201 HydrophobicContact CB-CG 4.46Å; D198-K201 PolarHBondContact O-N 2.88Å; D198-K201 VanDerWaalsContact OD2-CD 3.28Å; D198-K201 WeakPolarHBondContact OD2-CD 3.34Å; D198-K201 VanDerWaalsContact OD2-CE 3.28Å; D198-K201 WeakPolarHBondContact OD2-CE 3.26Å; D198-K201 WeakPolarHBondContact OD2-CG 3.25Å; D198-K201 IonicContact OD2-NZ 3.26Å; D198-K201 PolarHBondContact OD2-NZ 3.06Å; D198-S202 WeakPolarHBondContact O-CB 3.24Å; D198-S202 PolarHBondContact O-N 3.03Å; D198-S202 PolarHBondContact O-OG 3.01Å
199E87.8Confident84.7Confident71 Ų7133 Ų3333%0.33217%0.17SC..THydrogen-bonded Turntrans-61.8-23.7-179.8-46.1-150.4151.900113.7S123 A125 S197 S202 R206 Y207S123-E199 WeakPolarHBondContact CB-OE2 3.2Å; S123-E199 PolarHBondContact OG-OE2 2.8Å; A125-E199 HydrophobicContact CB-CB 4.48Å; A125-E199 VanDerWaalsContact CB-O 3.31Å; A125-E199 WeakPolarHBondContact CB-O 3.46Å; A125-E199 PolarHBondContact N-O 2.95Å; S197-E199 PolarHBondContact O-N 3.36Å; E199-S202 VanDerWaalsContact CA-OG 3.31Å; E199-S202 WeakPolarHBondContact CA-OG 3.46Å; E199-R206 IonicContact OE1-CZ 3.61Å; E199-R206 IonicContact OE1-NH1 2.68Å; E199-R206 PolarHBondContact OE1-NH1 3.25Å; E199-R206 IonicContact OE1-NH2 3.57Å; E199-Y207 VanDerWaalsContact CD-OH 3.27Å; E199-Y207 PolarHBondContact OE1-OH 3.46Å; E199-Y207 PolarHBondContact OE2-OH 2.83Å; E199-Y207 VanDerWaalsContact OE2-OH 3.09Å
200N88.3Confident85.9Confident55 Ų5527 Ų2729%0.29414%0.142SC..THydrogen-bonded Turntrans-88-14-176.8-61.6-37.8000112.2W117 S123 R124 D198W117-N200 VanDerWaalsContact CB-OD1 3.24Å; W117-N200 WeakPolarHBondContact CB-OD1 3.06Å; W117-N200 VanDerWaalsContact CD1-CG 3.44Å; W117-N200 HydrophobicContact CD2-CB 4.32Å; W117-N200 HydrophobicContact CG-CB 4.12Å; S123-N200 WeakPolarHBondContact CB-OD1 3.45Å; R124-N200 WeakPolarHBondContact CB-O 3.49Å; R124-N200 WeakPolarHBondContact CD-O 3.37Å; D198-N200 PolarHBondContact O-N 2.9Å; D198-N200 WeakPolarHBondContact OD1-CB 3.45Å; D198-N200 PolarHBondContact OD1-N 3.45Å
201K85.8Confident86.2Confident102 Ų10225.2 Ų25.244%0.44313%0.125SC..THydrogen-bonded Turntrans-110.94.4176.7-63179-171.5151.60113.6G168 E169 D198G168-K201 WeakPolarHBondContact CA-O 3.2Å; E169-K201 VanDerWaalsContact CD-CD 3.49Å; E169-K201 HydrophobicContact CG-CB 4.2Å; E169-K201 HydrophobicContact CG-CD 3.53Å; E169-K201 WeakPolarHBondContact OE1-CD 3.46Å; E169-K201 VanDerWaalsContact OE1-CE 3.31Å; E169-K201 WeakPolarHBondContact OE1-CE 3.42Å; E169-K201 IonicContact OE1-NZ 3.58Å; E169-K201 PolarHBondContact OE1-NZ 3.32Å; D198-K201 HydrophobicContact CB-CB 4.23Å; D198-K201 HydrophobicContact CB-CD 4.43Å; D198-K201 HydrophobicContact CB-CG 4.46Å; D198-K201 PolarHBondContact O-N 2.88Å; D198-K201 VanDerWaalsContact OD2-CD 3.28Å; D198-K201 WeakPolarHBondContact OD2-CD 3.34Å; D198-K201 VanDerWaalsContact OD2-CE 3.28Å; D198-K201 WeakPolarHBondContact OD2-CE 3.26Å; D198-K201 WeakPolarHBondContact OD2-CG 3.25Å; D198-K201 IonicContact OD2-NZ 3.26Å; D198-K201 PolarHBondContact OD2-NZ 3.06Å
202S91.3Very high85.6Confident0 Ų026.3 Ų26.30%014%0.137CC..SBendtrans-118.2179.8-177.853.10000112.7L167 D198 E199 R206L167-S202 VanDerWaalsContact O-CA 3.27Å; L167-S202 WeakPolarHBondContact O-CA 3.48Å; L167-S202 VanDerWaalsContact O-CB 3.25Å; L167-S202 WeakPolarHBondContact O-CB 3.4Å; D198-S202 WeakPolarHBondContact O-CB 3.24Å; D198-S202 PolarHBondContact O-N 3.03Å; D198-S202 PolarHBondContact O-OG 3.01Å; E199-S202 VanDerWaalsContact CA-OG 3.31Å; E199-S202 WeakPolarHBondContact CA-OG 3.46Å; S202-R206 VanDerWaalsContact OG-CD 3.24Å; S202-R206 WeakPolarHBondContact OG-CD 3.44Å
203N93.3Very high84.8Confident0 Ų028.1 Ų28.10%015%0.146CC..  trans-119.2174.4173.169.9-16.1000112.6D108 S128 P165 L167 M205 R206D108-N203 PolarHBondContact OD1-ND2 2.86Å; D108-N203 VanDerWaalsContact OD2-CB 3.29Å; D108-N203 WeakPolarHBondContact OD2-CB 3.46Å; D108-N203 PolarHBondContact OD2-ND2 3.35Å; S128-N203 VanDerWaalsContact OG-CA 3.27Å; S128-N203 WeakPolarHBondContact OG-CA 3.44Å; S128-N203 WeakPolarHBondContact OG-CB 3.48Å; P165-N203 PolarHBondContact O-ND2 2.79Å; L167-N203 HydrophobicContact CB-CB 4.13Å; L167-N203 HydrophobicContact CD1-CB 4.21Å; L167-N203 HydrophobicContact CG-CB 4.31Å; L167-N203 PolarHBondContact N-OD1 3.22Å; L167-N203 VanDerWaalsContact N-OD1 3.11Å; N203-M205 PolarHBondContact O-N 3.1Å; N203-R206 VanDerWaalsContact O-CG 3.32Å; N203-R206 WeakPolarHBondContact O-CG 3.07Å; N203-R206 PolarHBondContact O-N 2.9Å; N203-R206 VanDerWaalsContact O-N 3.15Å
204W93.9Very high84.1Confident1 Ų132.9 Ų32.90%0.00417%0.169CC..G310 helixtrans-54.2-25-175.768.1-85000113.9D108 A125 S128 L129 P130 L133 V151 F163 R206 Y207 V208 L242D108-W204 PolarHBondContact OD1-NE1 3.33Å; A125-W204 VanDerWaalsContact O-CA 3.25Å; A125-W204 WeakPolarHBondContact O-CA 3.46Å; A125-W204 WeakPolarHBondContact O-CB 3.27Å; A125-W204 PolarHBondContact O-N 2.97Å; A125-W204 VanDerWaalsContact O-N 3.15Å; S128-W204 PolarHBondContact OG-N 2.85Å; L129-W204 HydrophobicContact CB-CB 4Å; L129-W204 HydrophobicContact CB-CG 4.46Å; L129-W204 HydrophobicContact CD1-CB 3.69Å; L129-W204 HydrophobicContact CD1-CD2 3.94Å; L129-W204 HydrophobicContact CD1-CE3 3.82Å; L129-W204 HydrophobicContact CD1-CG 3.91Å; L129-W204 HydrophobicContact CG-CB 4.48Å; P130-W204 VanDerWaalsContact CD-CD1 3.49Å; P130-W204 VanDerWaalsContact CD-CE2 3.42Å; P130-W204 VanDerWaalsContact CD-NE1 3.29Å; P130-W204 HydrophobicContact CG-CZ2 3.97Å; L133-W204 HydrophobicContact CD1-CD2 4.35Å; L133-W204 HydrophobicContact CD1-CE3 3.86Å; L133-W204 HydrophobicContact CD1-CH2 3.26Å; L133-W204 HydrophobicContact CD1-CZ2 3.8Å; L133-W204 HydrophobicContact CD1-CZ3 3.32Å; V151-W204 HydrophobicContact CG1-CE3 4.2Å; V151-W204 HydrophobicContact CG1-CZ3 4.01Å; V151-W204 HydrophobicContact CG2-CE3 4.2Å; F163-W204 HydrophobicContact CB-CH2 4.09Å; F163-W204 HydrophobicContact CB-CZ2 3.83Å; F163-W204 AromaticContact CD1-CH2 3.9Å; F163-W204 HydrophobicContact CD1-CH2 3.9Å; F163-W204 AromaticContact CD1-CZ2 3.64Å; F163-W204 HydrophobicContact CD1-CZ2 3.64Å; F163-W204 HydrophobicContact CD2-CH2 4.41Å; F163-W204 HydrophobicContact CE1-CH2 4.42Å; F163-W204 HydrophobicContact CE1-CZ2 4.41Å; F163-W204 AromaticContact CG-CH2 3.89Å; F163-W204 HydrophobicContact CG-CH2 3.89Å; F163-W204 AromaticContact CG-CZ2 3.87Å; F163-W204 HydrophobicContact CG-CZ2 3.87Å; W204-R206 PolarHBondContact O-N 3.33Å; W204-Y207 WeakPolarHBondContact O-CB 3.3Å; W204-Y207 WeakPolarHBondContact O-CD2 3.08Å; W204-Y207 PolarHBondContact O-N 3.03Å; W204-V208 HydrophobicContact CE3-CG2 4.26Å; W204-V208 HydrophobicContact CZ3-CG2 3.75Å; W204-L242 HydrophobicContact CH2-CD2 4.44Å; W204-L242 HydrophobicContact CZ3-CD2 4.25Å
205M93.3Very high83.5Confident1 Ų138.8 Ų38.81%0.00520%0.2CC..G310 helixtrans-60.8-17.2-179.4-61.4176.471.800113.1G164 F166 N203 Y207 V208 Y230G164-M205 VanDerWaalsContact CA-SD 3.57Å; F166-M205 HydrophobicContact CB-CE 4.18Å; F166-M205 HydrophobicContact CB-SD 4.19Å; F166-M205 HydrophobicContact CD2-CB 3.59Å; F166-M205 HydrophobicContact CD2-CE 4.38Å; F166-M205 HydrophobicContact CD2-SD 4.45Å; F166-M205 HydrophobicContact CE2-CB 4.05Å; N203-M205 PolarHBondContact O-N 3.1Å; M205-Y207 PolarHBondContact O-N 3.31Å; M205-V208 PolarHBondContact O-N 3.08Å; M205-Y230 HydrophobicContact CB-CE2 4.12Å; M205-Y230 HydrophobicContact CE-CD1 3.75Å; M205-Y230 HydrophobicContact CE-CD2 3.39Å; M205-Y230 HydrophobicContact CE-CE1 4.05Å; M205-Y230 HydrophobicContact CE-CE2 3.73Å; M205-Y230 HydrophobicContact CE-CG 3.4Å
206R91.4Very high83.1Confident14 Ų1441.8 Ų41.85%0.05321%0.214CC..G310 helixtrans-64.1-23.8172.176.2-173.6-67.3-89.82.1114.1A125 Y181 A196 S197 E199 S202 N203 W204A125-R206 HydrophobicContact CB-CG 4.28Å; Y181-R206 HydrophobicContact CD1-CB 4.33Å; A196-R206 HydrophobicContact CB-CB 4.14Å; A196-R206 PolarHBondContact O-NE 2.96Å; S197-R206 PolarHBondContact O-NH2 3.17Å; E199-R206 IonicContact OE1-CZ 3.61Å; E199-R206 IonicContact OE1-NH1 2.68Å; E199-R206 PolarHBondContact OE1-NH1 3.25Å; E199-R206 IonicContact OE1-NH2 3.57Å; S202-R206 VanDerWaalsContact OG-CD 3.24Å; S202-R206 WeakPolarHBondContact OG-CD 3.44Å; N203-R206 VanDerWaalsContact O-CG 3.32Å; N203-R206 WeakPolarHBondContact O-CG 3.07Å; N203-R206 PolarHBondContact O-N 2.9Å; N203-R206 VanDerWaalsContact O-N 3.15Å; W204-R206 PolarHBondContact O-N 3.33Å
207Y91Very high82.9Confident14 Ų1443.2 Ų43.26%0.05522%0.22CC..G310 helixtrans-90.80.8-177.9-58.2-64.3000113.2S123 A125 M126 L135 L149 E199 W204 M205 S209S123-Y207 PolarHBondContact OG-OH 2.82Å; A125-Y207 HydrophobicContact CB-CE2 3.77Å; M126-Y207 HydrophobicContact CG-CE2 4.1Å; L135-Y207 HydrophobicContact CD1-CD2 4Å; L135-Y207 HydrophobicContact CD1-CE2 4.18Å; L135-Y207 HydrophobicContact CD2-CD2 3.69Å; L135-Y207 HydrophobicContact CD2-CG 3.72Å; L149-Y207 HydrophobicContact CB-CD1 3.84Å; L149-Y207 HydrophobicContact CB-CE1 4.22Å; L149-Y207 HydrophobicContact CB-CG 4.44Å; L149-Y207 HydrophobicContact CD1-CD1 4.37Å; L149-Y207 HydrophobicContact CD1-CE1 3.93Å; E199-Y207 VanDerWaalsContact CD-OH 3.27Å; E199-Y207 PolarHBondContact OE1-OH 3.46Å; E199-Y207 PolarHBondContact OE2-OH 2.83Å; E199-Y207 VanDerWaalsContact OE2-OH 3.09Å; W204-Y207 WeakPolarHBondContact O-CB 3.3Å; W204-Y207 WeakPolarHBondContact O-CD2 3.08Å; W204-Y207 PolarHBondContact O-N 3.03Å; M205-Y207 PolarHBondContact O-N 3.31Å; Y207-S209 PolarHBondContact O-N 2.9Å
208V90.2Very high83.1Confident4 Ų441.9 Ų41.92%0.02421%0.21CC..PPolyproline II helixtrans-74.2127.1178.11750000109.2V151 W204 M205 L219 Y230 L242 V244V151-V208 HydrophobicContact CB-CG2 4.37Å; V151-V208 HydrophobicContact CG2-CG2 4.09Å; W204-V208 HydrophobicContact CE3-CG2 4.26Å; W204-V208 HydrophobicContact CZ3-CG2 3.75Å; M205-V208 PolarHBondContact O-N 3.08Å; V208-L219 HydrophobicContact CG1-CD1 3.77Å; V208-Y230 HydrophobicContact CB-CE2 4.02Å; V208-Y230 HydrophobicContact CG1-CE2 4.13Å; V208-Y230 HydrophobicContact CG2-CD2 4.37Å; V208-Y230 HydrophobicContact CG2-CE2 4.05Å; V208-L242 HydrophobicContact CG1-CB 4.35Å; V208-V244 HydrophobicContact CG1-CB 4.12Å; V208-V244 HydrophobicContact CG1-CG1 4.15Å
209S83.9Confident83.2Confident14 Ų1439.4 Ų39.410%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-69.9143.5-176.5-59.50000112Y207 E241 L242 R243 V244Y207-S209 PolarHBondContact O-N 2.9Å; S209-E241 WeakPolarHBondContact CB-OE1 3.44Å; S209-E241 PolarHBondContact OG-OE1 3.11Å; S209-L242 PolarHBondContact N-O 3.03Å; S209-R243 WeakPolarHBondContact O-CA 3.49Å; S209-V244 PolarHBondContact O-N 3.4Å
210Y78.8Confident83.1Confident53 Ų5338 Ų3821%0.20819%0.193CC..EExtended strand (participates in β ladder)trans-88.7138.4169.3-62.8-74.8000110.2R180 W183 V244 I246 K269R180-Y210 VanDerWaalsContact O-CE2 3.23Å; R180-Y210 WeakPolarHBondContact O-CE2 3.41Å; R180-Y210 PolarHBondContact O-OH 3.1Å; W183-Y210 HydrophobicContact CH2-CE1 4.32Å; W183-Y210 AromaticContact CZ2-CE1 3.85Å; W183-Y210 HydrophobicContact CZ2-CE1 3.85Å; Y210-V244 WeakPolarHBondContact CA-O 3.48Å; Y210-V244 HydrophobicContact CD1-CG1 3.38Å; Y210-V244 HydrophobicContact CE1-CG1 3.53Å; Y210-V244 HydrophobicContact CG-CG1 4.29Å; Y210-I246 HydrophobicContact CD1-CD1 3.34Å; Y210-I246 HydrophobicContact CD1-CG1 3.93Å; Y210-I246 HydrophobicContact CE1-CD1 3.59Å; Y210-I246 HydrophobicContact CE1-CG1 4.06Å; Y210-I246 HydrophobicContact CG-CD1 4.18Å; Y210-K269 PolarHBondContact OH-NZ 3.2Å
211T73.4Confident82.9Confident16 Ų1636 Ų3610%0.09818%0.183CC..  trans-115.7146.4168.6-175.80000110.4N213 E216 H217 R243 V244 W245T211-N213 PolarHBondContact OG1-N 3Å; T211-N213 VanDerWaalsContact OG1-N 3.17Å; T211-E216 HydrophobicContact CG2-CB 4.43Å; T211-H217 HydrophobicContact CG2-CB 3.77Å; T211-R243 HydrophobicContact CG2-CB 4.23Å; T211-V244 PolarHBondContact N-O 2.81Å; T211-W245 HydrophobicContact CG2-CB 4.18Å
212S60.5Low82.5Confident56 Ų5634.2 Ų34.239%0.39218%0.175SC..SBendtrans-91.7-9170.150.60000112.6
213N62.9Low82Confident50 Ų5036.2 Ų36.227%0.26718%0.184SC..  trans-101.6119.9-175.1-161.110.4000110.8T211 D215 E216T211-N213 PolarHBondContact OG1-N 3Å; T211-N213 VanDerWaalsContact OG1-N 3.17Å; N213-D215 PolarHBondContact O-N 2.88Å; N213-E216 HydrophobicContact CB-CB 4.24Å; N213-E216 HydrophobicContact CB-CG 4.07Å; N213-E216 PolarHBondContact ND2-OE1 3.17Å; N213-E216 PolarHBondContact O-N 3.5Å; N213-E216 VanDerWaalsContact O-N 3.14Å
214E68.1Low81.1Confident115 Ų11541.6 Ų41.654%0.53721%0.208SC..G310 helixtrans-60.3-28.9-179.3-173174.9-179.800111.8E216 H217 W245E214-E216 VanDerWaalsContact C-N 3.31Å; E214-E216 PolarHBondContact O-N 3.04Å; E214-H217 PolarHBondContact O-CE1 3.42Å; E214-H217 PolarHBondContact O-ND1 2.91Å; E214-W245 HydrophobicContact CB-CH2 4.24Å; E214-W245 HydrophobicContact CB-CZ2 4.05Å; E214-W245 HydrophobicContact CG-CE3 4.35Å; E214-W245 HydrophobicContact CG-CH2 3.81Å; E214-W245 HydrophobicContact CG-CZ2 4.15Å; E214-W245 HydrophobicContact CG-CZ3 3.93Å
215D73.6Confident80.2Confident135 Ų13550.5 Ų50.572%0.72224%0.243SC*.G310 helixtrans-79.3-12.7-179.1-60.4-43.8000113.7N213N213-D215 PolarHBondContact O-N 2.88Å
216E77.2Confident79.4Confident85 Ų8556.2 Ų56.240%0.39726%0.264SS..G310 helixtrans-104-8.5-174-69.5-179-149.700114.4T211 N213 E214 R243T211-E216 HydrophobicContact CG2-CB 4.43Å; N213-E216 HydrophobicContact CB-CB 4.24Å; N213-E216 HydrophobicContact CB-CG 4.07Å; N213-E216 PolarHBondContact ND2-OE1 3.17Å; N213-E216 PolarHBondContact O-N 3.5Å; N213-E216 VanDerWaalsContact O-N 3.14Å; E214-E216 VanDerWaalsContact C-N 3.31Å; E214-E216 PolarHBondContact O-N 3.04Å; E216-R243 IonicContact OE2-NH1 3.89Å; E216-R243 PolarHBondContact OE2-NH1 3Å
217H84.3Confident78.9Confident29 Ų2959.6 Ų59.613%0.13428%0.281CS..  trans-76.2144.8179.985.8-82000110.6T211 E214 S233 Q234 W245T211-H217 HydrophobicContact CG2-CB 3.77Å; E214-H217 PolarHBondContact O-CE1 3.42Å; E214-H217 PolarHBondContact O-ND1 2.91Å; H217-S233 PolarHBondContact CD2-OG 2.79Å; H217-S233 PolarHBondContact NE2-OG 3.09Å; H217-Q234 PolarHBondContact O-NE2 2.93Å; H217-W245 HydrophobicContact CB-CB 3.47Å; H217-W245 VanDerWaalsContact CB-CB 3.47Å
218N90.3Very high78.6Confident13 Ų1359 Ų597%0.0728%0.279CS..  trans-131.20.3173.258.222.7000112.9V232 S233 Q234 I236 E241 R243N218-V232 WeakPolarHBondContact O-CA 3.5Å; N218-S233 VanDerWaalsContact C-OG 3.24Å; N218-S233 WeakPolarHBondContact CA-OG 3.47Å; N218-S233 PolarHBondContact O-N 2.78Å; N218-S233 PolarHBondContact O-OG 2.85Å; N218-Q234 HydrophobicContact CB-CG 4.1Å; N218-I236 HydrophobicContact CB-CD1 3.75Å; N218-I236 HydrophobicContact CB-CG1 3.78Å; N218-I236 VanDerWaalsContact CG-CD1 3.5Å; N218-E241 PolarHBondContact ND2-O 2.73Å; N218-R243 PolarHBondContact N-O 3.37Å; N218-R243 PolarHBondContact OD1-N 3.41Å; N218-R243 PolarHBondContact OD1-O 2.75Å
219L88.4Confident78.5Confident0 Ų060.6 Ų60.60%028%0.284CS..EExtended strand (participates in β ladder)trans-124.3138.3171-63.7172.7000110.5F163 V208 Y230 K231 V232 I236 L242 R243 V244F163-L219 HydrophobicContact CD2-CD2 4.4Å; F163-L219 HydrophobicContact CE2-CD2 4.48Å; V208-L219 HydrophobicContact CG1-CD1 3.77Å; L219-Y230 HydrophobicContact CD1-CD2 4.17Å; L219-K231 CarbonylContact C-O 3.6Å; L219-K231 WeakPolarHBondContact CA-O 3.34Å; L219-V232 HydrophobicContact CD2-CG2 3.85Å; L219-I236 HydrophobicContact CD2-CD1 4.42Å; L219-L242 HydrophobicContact CD1-CB 3.8Å; L219-L242 HydrophobicContact CD1-CD2 4.01Å; L219-L242 HydrophobicContact CD1-CG 3.97Å; L219-R243 PolarHBondContact N-O 3.08Å; L219-V244 HydrophobicContact CB-CB 4.22Å; L219-V244 HydrophobicContact CB-CG2 4.21Å
220V84.5Confident78.8Confident40 Ų4059.9 Ų59.924%0.24228%0.279CS..EExtended strand (participates in β ladder)trans-113.4148.2168.7-69.10000110.4Y230 K231V220-Y230 CarbonylContact O-C 3.52Å; V220-Y230 WeakPolarHBondContact O-CA 3.42Å; V220-K231 HydrophobicContact CG2-CB 3.9Å; V220-K231 WeakPolarHBondContact CG2-O 3.36Å; V220-K231 PolarHBondContact N-O 2.89Å; V220-K231 PolarHBondContact O-N 3.49Å
221V84.4Confident79.3Confident14 Ų1461.7 Ų61.79%0.08529%0.288CS..EExtended strand (participates in β ladder)trans-104.9137.4-177-171.50000110.1W183 I228 Y229 Y230 V244 Y250W183-V221 HydrophobicContact CH2-CB 4.08Å; W183-V221 HydrophobicContact CH2-CG1 3.99Å; W183-V221 HydrophobicContact CH2-CG2 3.56Å; W183-V221 HydrophobicContact CZ2-CB 4.45Å; W183-V221 HydrophobicContact CZ2-CG1 4.13Å; W183-V221 HydrophobicContact CZ2-CG2 3.7Å; W183-V221 HydrophobicContact CZ3-CG1 4.22Å; W183-V221 HydrophobicContact CZ3-CG2 4.48Å; V221-I228 HydrophobicContact CG1-CG2 3.42Å; V221-I228 VanDerWaalsContact CG1-CG2 3.42Å; V221-Y229 WeakPolarHBondContact CA-O 3.16Å; V221-Y230 HydrophobicContact CB-CD1 4.27Å; V221-Y230 HydrophobicContact CB-CE1 4.34Å; V221-Y230 HydrophobicContact CG1-CD1 4.08Å; V221-Y230 HydrophobicContact CG1-CE1 3.95Å; V221-Y230 HydrophobicContact CG2-CD1 3.64Å; V221-Y230 HydrophobicContact CG2-CE1 3.55Å; V221-V244 HydrophobicContact CG2-CG2 3.14Å; V221-Y250 HydrophobicContact CG1-CD2 4.39Å
222F78Confident80.1Confident64 Ų6461 Ų6128%0.28128%0.284SS..EExtended strand (participates in β ladder)trans-145.4157.1172.371.7-76.8000111.2L162 F224 Y229 K231L162-F222 HydrophobicContact CD2-CE1 3.37Å; L162-F222 HydrophobicContact CD2-CZ 3.44Å; L162-F222 VanDerWaalsContact CD2-CZ 3.44Å; F222-F224 HydrophobicContact CD2-CB 4.31Å; F222-F224 HydrophobicContact CE2-CB 3.92Å; F222-Y229 VanDerWaalsContact CE1-CB 3.49Å; F222-Y229 HydrophobicContact CZ-CG 4.16Å; F222-Y229 PolarHBondContact N-O 2.8Å; F222-Y229 PolarHBondContact O-N 3.19Å; F222-K231 HydrophobicContact CD1-CB 4.27Å; F222-K231 HydrophobicContact CE1-CB 3.98Å
223Q80.3Confident81.3Confident43 Ų4359.4 Ų59.420%0.20127%0.273CS..EExtended strand (participates in β ladder)trans-100134.2177.4-177-176-4400110.6I185 R186 H227 I228 L253I185-Q223 HydrophobicContact CG2-CG 4.29Å; R186-Q223 PolarHBondContact O-NE2 2.89Å; Q223-H227 CarbonylContact C-O 3.51Å; Q223-H227 VanDerWaalsContact CA-O 3.29Å; Q223-H227 WeakPolarHBondContact CA-O 3.22Å; Q223-I228 HydrophobicContact CB-CD1 4.13Å; Q223-I228 HydrophobicContact CG-CD1 4.43Å; Q223-L253 HydrophobicContact CB-CD2 3.83Å
224F74.3Confident82.4Confident112 Ų11261.9 Ų61.949%0.49128%0.283SS..EExtended strand (participates in β ladder)trans-142.5131.4174.8-174.4-116.3000110.4F222 R226 H227 Y229F222-F224 HydrophobicContact CD2-CB 4.31Å; F222-F224 HydrophobicContact CE2-CB 3.92Å; F224-R226 VanDerWaalsContact C-N 3.27Å; F224-R226 PolarHBondContact O-N 3.26Å; F224-R226 VanDerWaalsContact O-N 3.16Å; F224-H227 PolarHBondContact N-O 3.35Å; F224-H227 PolarHBondContact O-N 3.38Å; F224-Y229 HydrophobicContact CB-CD2 3.93Å; F224-Y229 HydrophobicContact CB-CE2 3.9Å; F224-Y229 HydrophobicContact CD1-CE2 4.37Å
225Y74.9Confident83.3Confident189 Ų18959.2 Ų59.274%0.74128%0.277SS*.THydrogen-bonded Turntrans40.949.8-173.8-75.7-75.8000114.1H227Y225-H227 VanDerWaalsContact C-N 3.28Å; Y225-H227 PolarHBondContact O-N 2.98Å; Y225-H227 PolarHBondContact O-ND1 3.5Å
226R76.1Confident84.1Confident121 Ų12153 Ų5346%0.45724%0.244SC..THydrogen-bonded Turntrans61.426.8180-53.7173.258.5138.111.8115.3I185 D187 F224I185-R226 VanDerWaalsContact CD1-O 3.32Å; I185-R226 WeakPolarHBondContact CD1-O 3.47Å; I185-R226 HydrophobicContact CG2-CB 4.23Å; D187-R226 IonicContact OD1-CZ 3.01Å; D187-R226 VanDerWaalsContact OD1-CZ 3.23Å; D187-R226 IonicContact OD1-NE 2.74Å; D187-R226 IonicContact OD1-NH1 3.31Å; D187-R226 PolarHBondContact OD1-NH1 3.34Å; D187-R226 IonicContact OD1-NH2 2.76Å; D187-R226 IonicContact OD2-CZ 3.81Å; D187-R226 IonicContact OD2-NH1 2.71Å; D187-R226 PolarHBondContact OD2-NH1 3.33Å; D187-R226 IonicContact OD2-NH2 2.86Å; D187-R226 PolarHBondContact OD2-NH2 3.02Å; F224-R226 VanDerWaalsContact C-N 3.27Å; F224-R226 PolarHBondContact O-N 3.26Å; F224-R226 VanDerWaalsContact O-N 3.16Å
227H81.2Confident84.7Confident85 Ų8552.6 Ų52.639%0.39425%0.251SS..EExtended strand (participates in β ladder)trans-130.3157.9172.8-62.480.2000110.6P165 Q223 F224 Y225 Y229P165-H227 HydrophobicContact CB-CB 3.79Å; Q223-H227 CarbonylContact C-O 3.51Å; Q223-H227 VanDerWaalsContact CA-O 3.29Å; Q223-H227 WeakPolarHBondContact CA-O 3.22Å; F224-H227 PolarHBondContact N-O 3.35Å; F224-H227 PolarHBondContact O-N 3.38Å; Y225-H227 VanDerWaalsContact C-N 3.28Å; Y225-H227 PolarHBondContact O-N 2.98Å; Y225-H227 PolarHBondContact O-ND1 3.5Å; H227-Y229 HydrophobicContact CB-CD2 4.5Å; H227-Y229 HydrophobicContact CB-CE2 3.75Å
228I86.3Confident85Confident2 Ų258 Ų581%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-99.2135.2179.6-61.6-62.1000110.1P165 F166 W183 I185 V221 Q223 Y230 Y250P165-I228 CarbonylContact C-O 3.42Å; P165-I228 WeakPolarHBondContact CA-O 3.24Å; F166-I228 HydrophobicContact CB-CB 3.93Å; F166-I228 HydrophobicContact CB-CG2 4.17Å; F166-I228 PolarHBondContact N-O 3.33Å; W183-I228 HydrophobicContact CB-CG1 3.95Å; W183-I228 HydrophobicContact CD2-CG2 4.46Å; W183-I228 HydrophobicContact CG-CG1 4.35Å; W183-I228 HydrophobicContact CG-CG2 4.25Å; I185-I228 HydrophobicContact CD1-CG1 4.13Å; I185-I228 HydrophobicContact CG1-CD1 4.15Å; I185-I228 HydrophobicContact CG1-CG1 3.93Å; V221-I228 HydrophobicContact CG1-CG2 3.42Å; V221-I228 VanDerWaalsContact CG1-CG2 3.42Å; Q223-I228 HydrophobicContact CB-CD1 4.13Å; Q223-I228 HydrophobicContact CG-CD1 4.43Å; I228-Y230 HydrophobicContact CG2-CE1 4.15Å; I228-Y250 HydrophobicContact CD1-CE2 4.47Å
229Y87.1Confident84.9Confident36 Ų3658.9 Ų58.914%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-130.4149.9178.9-66.7-92.1000110.6Y105 F163 P165 V221 F222 F224 H227Y105-Y229 HydrophobicContact CE2-CD1 4.23Å; Y105-Y229 AromaticContact CE2-CE1 3.98Å; Y105-Y229 HydrophobicContact CE2-CE1 3.98Å; F163-Y229 WeakPolarHBondContact O-CA 3.31Å; P165-Y229 HydrophobicContact CB-CE1 4.03Å; P165-Y229 HydrophobicContact CB-CE2 4.46Å; V221-Y229 WeakPolarHBondContact CA-O 3.16Å; F222-Y229 VanDerWaalsContact CE1-CB 3.49Å; F222-Y229 HydrophobicContact CZ-CG 4.16Å; F222-Y229 PolarHBondContact N-O 2.8Å; F222-Y229 PolarHBondContact O-N 3.19Å; F224-Y229 HydrophobicContact CB-CD2 3.93Å; F224-Y229 HydrophobicContact CB-CE2 3.9Å; F224-Y229 HydrophobicContact CD1-CE2 4.37Å; H227-Y229 HydrophobicContact CB-CD2 4.5Å; H227-Y229 HydrophobicContact CB-CE2 3.75Å
230Y90.7Very high84.9Confident0 Ų060.5 Ų60.50%030%0.302CS..EExtended strand (participates in β ladder)trans-107134.2172.8-63.8-10.7000109.9L162 F163 W183 M205 V208 L219 V220 V221 I228 V244L162-Y230 WeakPolarHBondContact CA-O 3.38Å; F163-Y230 PolarHBondContact N-O 3.43Å; F163-Y230 PolarHBondContact O-N 2.93Å; W183-Y230 AromaticContact CZ2-CE1 3.95Å; W183-Y230 HydrophobicContact CZ2-CE1 3.95Å; W183-Y230 AromaticContact NE1-CE1 3.94Å; W183-Y230 AromaticContact NE1-CZ 3.86Å; W183-Y230 PolarHBondContact NE1-OH 2.74Å; M205-Y230 HydrophobicContact CB-CE2 4.12Å; M205-Y230 HydrophobicContact CE-CD1 3.75Å; M205-Y230 HydrophobicContact CE-CD2 3.39Å; M205-Y230 HydrophobicContact CE-CE1 4.05Å; M205-Y230 HydrophobicContact CE-CE2 3.73Å; M205-Y230 HydrophobicContact CE-CG 3.4Å; V208-Y230 HydrophobicContact CB-CE2 4.02Å; V208-Y230 HydrophobicContact CG1-CE2 4.13Å; V208-Y230 HydrophobicContact CG2-CD2 4.37Å; V208-Y230 HydrophobicContact CG2-CE2 4.05Å; L219-Y230 HydrophobicContact CD1-CD2 4.17Å; V220-Y230 CarbonylContact O-C 3.52Å; V220-Y230 WeakPolarHBondContact O-CA 3.42Å; V221-Y230 HydrophobicContact CB-CD1 4.27Å; V221-Y230 HydrophobicContact CB-CE1 4.34Å; V221-Y230 HydrophobicContact CG1-CD1 4.08Å; V221-Y230 HydrophobicContact CG1-CE1 3.95Å; V221-Y230 HydrophobicContact CG2-CD1 3.64Å; V221-Y230 HydrophobicContact CG2-CE1 3.55Å; I228-Y230 HydrophobicContact CG2-CE1 4.15Å; Y230-V244 HydrophobicContact CE1-CG2 4.44Å
231K89Confident85.3Confident91 Ų9159.6 Ų59.640%0.39630%0.295SS..EExtended strand (participates in β ladder)trans-119.4135.1176.9-173.4179.2177.5-177.40109.8V161 L162 L219 V220 F222 S233V161-K231 CarbonylContact O-C 3.6Å; V161-K231 WeakPolarHBondContact O-CA 3.34Å; L162-K231 HydrophobicContact CD2-CB 3.7Å; L162-K231 HydrophobicContact CD2-CD 4.07Å; L162-K231 HydrophobicContact CD2-CG 3.74Å; L162-K231 HydrophobicContact CG-CG 4.47Å; L219-K231 CarbonylContact C-O 3.6Å; L219-K231 WeakPolarHBondContact CA-O 3.34Å; V220-K231 HydrophobicContact CG2-CB 3.9Å; V220-K231 WeakPolarHBondContact CG2-O 3.36Å; V220-K231 PolarHBondContact N-O 2.89Å; V220-K231 PolarHBondContact O-N 3.49Å; F222-K231 HydrophobicContact CD1-CB 4.27Å; F222-K231 HydrophobicContact CE1-CB 3.98Å; K231-S233 PolarHBondContact O-N 3.33Å
232V90.6Very high85.7Confident0 Ų058.9 Ų58.90%029%0.291CS..EExtended strand (participates in β ladder)trans-65.7114.7173.8178.60000109.5L157 Q158 G160 V161 F163 N218 L219 Q234 I236L157-V232 HydrophobicContact CB-CG2 4.28Å; Q158-V232 WeakPolarHBondContact O-CG1 3.47Å; G160-V232 PolarHBondContact N-O 2.85Å; V161-V232 HydrophobicContact CB-CB 4.27Å; V161-V232 HydrophobicContact CB-CG2 3.86Å; V161-V232 HydrophobicContact CG1-CG2 4.35Å; V161-V232 PolarHBondContact O-N 3.46Å; F163-V232 HydrophobicContact CD2-CG2 4.5Å; F163-V232 HydrophobicContact CE2-CG2 3.81Å; N218-V232 WeakPolarHBondContact O-CA 3.5Å; L219-V232 HydrophobicContact CD2-CG2 3.85Å; V232-Q234 WeakPolarHBondContact CG1-O 3.47Å; V232-I236 HydrophobicContact CG1-CD1 3.92Å; V232-I236 HydrophobicContact CG1-CG1 3.86Å; V232-I236 HydrophobicContact CG2-CD1 4.17Å
233S84.9Confident86.1Confident24 Ų2459.6 Ų59.617%0.16829%0.291CS..SBendtrans-83-28.3-176.262.20000113Q159 H217 N218 K231Q159-S233 WeakPolarHBondContact CG-O 3.38Å; Q159-S233 PolarHBondContact NE2-O 3.08Å; H217-S233 PolarHBondContact CD2-OG 2.79Å; H217-S233 PolarHBondContact NE2-OG 3.09Å; N218-S233 VanDerWaalsContact C-OG 3.24Å; N218-S233 WeakPolarHBondContact CA-OG 3.47Å; N218-S233 PolarHBondContact O-N 2.78Å; N218-S233 PolarHBondContact O-OG 2.85Å; K231-S233 PolarHBondContact O-N 3.33Å
234Q86.1Confident86.4Confident101 Ų10157.5 Ų57.547%0.47228%0.282SS..SBendtrans-146.6151.5176.659.1-175.79.600109.5H217 N218 V232 I236H217-Q234 PolarHBondContact O-NE2 2.93Å; N218-Q234 HydrophobicContact CB-CG 4.1Å; V232-Q234 WeakPolarHBondContact CG1-O 3.47Å; Q234-I236 WeakPolarHBondContact O-CG1 3.32Å; Q234-I236 PolarHBondContact O-N 2.99Å
235S86.9Confident86.5Confident60 Ų6054 Ų5442%0.4227%0.265SS..PPolyproline II helixtrans-58.2126.1-176.6-63.10000111.4L157 Q158 Q159L157-S235 CarbonylContact O-C 3.44Å; L157-S235 VanDerWaalsContact O-CA 3.24Å; L157-S235 WeakPolarHBondContact O-CA 3.24Å; Q158-S235 PolarHBondContact OE1-OG 3.14Å; Q159-S235 PolarHBondContact N-OG 3.24Å
236I90.7Very high86Confident4 Ų446.6 Ų46.62%0.02124%0.238CC..BIsolated β-bridgetrans-100.1119.1-176.5-55.1177.3000108.2A153 Q156 L157 N218 L219 V232 Q234 A240 L242A153-I236 HydrophobicContact CB-CG2 3.88Å; Q156-I236 CarbonylContact C-O 3.55Å; Q156-I236 VanDerWaalsContact CA-O 3.32Å; Q156-I236 WeakPolarHBondContact CA-O 3.27Å; L157-I236 HydrophobicContact CB-CB 4.15Å; L157-I236 HydrophobicContact CD1-CB 4.45Å; L157-I236 HydrophobicContact CD1-CD1 4.24Å; L157-I236 PolarHBondContact N-O 2.82Å; L157-I236 PolarHBondContact O-N 2.62Å; N218-I236 HydrophobicContact CB-CD1 3.75Å; N218-I236 HydrophobicContact CB-CG1 3.78Å; N218-I236 VanDerWaalsContact CG-CD1 3.5Å; L219-I236 HydrophobicContact CD2-CD1 4.42Å; V232-I236 HydrophobicContact CG1-CD1 3.92Å; V232-I236 HydrophobicContact CG1-CG1 3.86Å; V232-I236 HydrophobicContact CG2-CD1 4.17Å; Q234-I236 WeakPolarHBondContact O-CG1 3.32Å; Q234-I236 PolarHBondContact O-N 2.99Å; I236-A240 HydrophobicContact CG2-CB 3.73Å; I236-L242 HydrophobicContact CD1-CG 4.38Å
237S89.3Confident85.2Confident77 Ų7741.2 Ų41.254%0.53822%0.221SC..PPolyproline II helixtrans-68.9151.4174.5-60.20000111.6G239 A240S237-G239 PolarHBondContact O-N 3.29Å; S237-A240 VanDerWaalsContact O-CB 3.27Å; S237-A240 WeakPolarHBondContact O-CB 3.3Å; S237-A240 PolarHBondContact O-N 3.17Å; S237-A240 VanDerWaalsContact O-N 3.15Å
238E90.7Very high84.2Confident141 Ų14142.1 Ų42.166%0.65922%0.223SC*.THydrogen-bonded Turntrans-54.7136.2171.7179.4174.5168.600111.1K154 A240K154-E238 WeakPolarHBondContact O-CG 3.47Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.39Å
239G87.7Confident82.8Confident32 Ų3247.1 Ų47.133%0.3325%0.25SC..THydrogen-bonded Turntrans84.7-7.3-177.500000115.1Y152 A153 S237Y152-G239 WeakPolarHBondContact CD1-O 3.3Å; A153-G239 WeakPolarHBondContact O-CA 3.4Å; A153-G239 PolarHBondContact O-N 2.84Å; S237-G239 PolarHBondContact O-N 3.29Å
240A90.3Very high81.6Confident35 Ų3545.9 Ų45.929%0.28925%0.245SC..PPolyproline II helixtrans-77.4145.7176.400000112.4Y152 A153 I236 S237 E238Y152-A240 CarbonylContact C-O 3.48Å; Y152-A240 VanDerWaalsContact CA-O 3.29Å; Y152-A240 WeakPolarHBondContact CA-O 3.45Å; A153-A240 PolarHBondContact N-O 3.07Å; I236-A240 HydrophobicContact CG2-CB 3.73Å; S237-A240 VanDerWaalsContact O-CB 3.27Å; S237-A240 WeakPolarHBondContact O-CB 3.3Å; S237-A240 PolarHBondContact O-N 3.17Å; S237-A240 VanDerWaalsContact O-N 3.15Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.39Å
241E92.5Very high80.1Confident20 Ų2046.3 Ų46.39%0.09325%0.248CC..BIsolated β-bridgetrans-73.8138177.1-168.8-175.8169.100110.8K150 V151 Y152 S209 N218 R243K150-E241 WeakPolarHBondContact CD-OE1 3.25Å; V151-E241 WeakPolarHBondContact O-CA 3.43Å; Y152-E241 HydrophobicContact CD1-CB 3.84Å; Y152-E241 HydrophobicContact CD1-CG 4.39Å; Y152-E241 HydrophobicContact CE1-CB 3.57Å; Y152-E241 HydrophobicContact CE1-CG 3.98Å; S209-E241 WeakPolarHBondContact CB-OE1 3.44Å; S209-E241 PolarHBondContact OG-OE1 3.11Å; N218-E241 PolarHBondContact ND2-O 2.73Å; E241-R243 HydrophobicContact CB-CG 4.44Å; E241-R243 HydrophobicContact CG-CG 4.16Å; E241-R243 IonicContact OE1-NE 2.72Å; E241-R243 IonicContact OE2-CZ 3.62Å; E241-R243 VanDerWaalsContact OE2-CZ 3.31Å; E241-R243 IonicContact OE2-NE 3.54Å; E241-R243 PolarHBondContact OE2-NE 3.4Å; E241-R243 IonicContact OE2-NH2 2.63Å; E241-R243 PolarHBondContact OE2-NH2 2.88Å
242L92.8Very high78.7Confident0 Ų044.9 Ų44.90%025%0.25CS..PPolyproline II helixtrans-80.8119.9172.4-87.365.2000109L133 V151 A153 L157 W204 V208 S209 L219 I236L133-L242 HydrophobicContact CD1-CD2 4.05Å; L133-L242 HydrophobicContact CD2-CD1 4.01Å; L133-L242 HydrophobicContact CD2-CD2 3.67Å; V151-L242 HydrophobicContact CB-CB 4.32Å; V151-L242 HydrophobicContact CG1-CB 4.34Å; V151-L242 HydrophobicContact CG1-CD2 3.93Å; V151-L242 HydrophobicContact CG1-CG 4.5Å; V151-L242 PolarHBondContact O-N 2.89Å; A153-L242 HydrophobicContact CB-CD1 4.03Å; L157-L242 HydrophobicContact CD1-CD1 4.48Å; W204-L242 HydrophobicContact CH2-CD2 4.44Å; W204-L242 HydrophobicContact CZ3-CD2 4.25Å; V208-L242 HydrophobicContact CG1-CB 4.35Å; S209-L242 PolarHBondContact N-O 3.03Å; L219-L242 HydrophobicContact CD1-CB 3.8Å; L219-L242 HydrophobicContact CD1-CD2 4.01Å; L219-L242 HydrophobicContact CD1-CG 3.97Å; I236-L242 HydrophobicContact CD1-CG 4.38Å
243R86.9Confident77.1Confident78 Ų7847.8 Ų47.829%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-129.8128.7-177.1-63.4-176.9-176.6171.95.2110.8S209 T211 E216 N218 L219 E241S209-R243 WeakPolarHBondContact O-CA 3.49Å; T211-R243 HydrophobicContact CG2-CB 4.23Å; E216-R243 IonicContact OE2-NH1 3.89Å; E216-R243 PolarHBondContact OE2-NH1 3Å; N218-R243 PolarHBondContact N-O 3.37Å; N218-R243 PolarHBondContact OD1-N 3.41Å; N218-R243 PolarHBondContact OD1-O 2.75Å; L219-R243 PolarHBondContact N-O 3.08Å; E241-R243 HydrophobicContact CB-CG 4.44Å; E241-R243 HydrophobicContact CG-CG 4.16Å; E241-R243 IonicContact OE1-NE 2.72Å; E241-R243 IonicContact OE2-CZ 3.62Å; E241-R243 VanDerWaalsContact OE2-CZ 3.31Å; E241-R243 IonicContact OE2-NE 3.54Å; E241-R243 PolarHBondContact OE2-NE 3.4Å; E241-R243 IonicContact OE2-NH2 2.63Å; E241-R243 PolarHBondContact OE2-NH2 2.88Å
244V86.1Confident75.7Confident0 Ų046.8 Ų46.80%026%0.258CS..EExtended strand (participates in β ladder)trans-108.4136.6-179.675.20000110.8V208 S209 Y210 T211 L219 V221 Y230V208-V244 HydrophobicContact CG1-CB 4.12Å; V208-V244 HydrophobicContact CG1-CG1 4.15Å; S209-V244 PolarHBondContact O-N 3.4Å; Y210-V244 WeakPolarHBondContact CA-O 3.48Å; Y210-V244 HydrophobicContact CD1-CG1 3.38Å; Y210-V244 HydrophobicContact CE1-CG1 3.53Å; Y210-V244 HydrophobicContact CG-CG1 4.29Å; T211-V244 PolarHBondContact N-O 2.81Å; L219-V244 HydrophobicContact CB-CB 4.22Å; L219-V244 HydrophobicContact CB-CG2 4.21Å; V221-V244 HydrophobicContact CG2-CG2 3.14Å; Y230-V244 HydrophobicContact CE1-CG2 4.44Å
245W76.3Confident74.2Confident38 Ų3843 Ų4314%0.14425%0.246CC..  trans-109133.9173.3-178.263.7000110T211 E214 H217 G247 K248T211-W245 HydrophobicContact CG2-CB 4.18Å; E214-W245 HydrophobicContact CB-CH2 4.24Å; E214-W245 HydrophobicContact CB-CZ2 4.05Å; E214-W245 HydrophobicContact CG-CE3 4.35Å; E214-W245 HydrophobicContact CG-CH2 3.81Å; E214-W245 HydrophobicContact CG-CZ2 4.15Å; E214-W245 HydrophobicContact CG-CZ3 3.93Å; H217-W245 HydrophobicContact CB-CB 3.47Å; H217-W245 VanDerWaalsContact CB-CB 3.47Å; W245-G247 VanDerWaalsContact CE2-CA 3.42Å; W245-G247 WeakPolarHBondContact CZ3-O 3.38Å; W245-K248 HydrophobicContact CH2-CB 4.41Å
246I64.1Low72.6Confident33 Ų3341.6 Ų41.617%0.16923%0.234CC..  trans-91.6-8.5-177.9-63152.5000110.8W183 Y210 Y250 K269W183-I246 HydrophobicContact CH2-CD1 4.45Å; W183-I246 HydrophobicContact CH2-CG1 3.58Å; W183-I246 HydrophobicContact CZ2-CG1 4.49Å; W183-I246 HydrophobicContact CZ3-CG1 4.05Å; W183-I246 HydrophobicContact CZ3-CG2 4.33Å; Y210-I246 HydrophobicContact CD1-CD1 3.34Å; Y210-I246 HydrophobicContact CD1-CG1 3.93Å; Y210-I246 HydrophobicContact CE1-CD1 3.59Å; Y210-I246 HydrophobicContact CE1-CG1 4.06Å; Y210-I246 HydrophobicContact CG-CD1 4.18Å; I246-Y250 HydrophobicContact CG2-CD1 3.71Å; I246-Y250 HydrophobicContact CG2-CE1 4.43Å; I246-Y250 HydrophobicContact CG2-CG 4.4Å; I246-Y250 WeakPolarHBondContact O-CB 3.47Å; I246-K269 HydrophobicContact CD1-CB 4.2Å; I246-K269 HydrophobicContact CD1-CD 3.44Å; I246-K269 VanDerWaalsContact CD1-CD 3.44Å; I246-K269 HydrophobicContact CD1-CG 3.79Å; I246-K269 HydrophobicContact CG2-CG 4.4Å
247G59.8Low70.6Confident9 Ų945.3 Ų45.39%0.09327%0.273CS..THydrogen-bonded Turntrans-69.2149.9-170.200000115.1W245 D249W245-G247 VanDerWaalsContact CE2-CA 3.42Å; W245-G247 WeakPolarHBondContact CZ3-O 3.38Å; G247-D249 PolarHBondContact O-N 3.32Å
248K59.6Low68.8Low104 Ų10445.1 Ų45.145%0.45227%0.265SS..THydrogen-bonded Turntrans46.3-52.1177.7-156.7177.9-178-175.50118.7W245 S252W245-K248 HydrophobicContact CH2-CB 4.41Å; K248-S252 WeakPolarHBondContact O-CB 3.24Å; K248-S252 PolarHBondContact O-N 2.82Å; K248-S252 PolarHBondContact O-OG 2.76Å
249D56.2Low66.5Low106 Ų10643.5 Ų43.557%0.56727%0.269SS*.Hα-helixtrans-74.4-42.6-174.5-69.2-19.3000111.4G247 S252 L253G247-D249 PolarHBondContact O-N 3.32Å; D249-S252 PolarHBondContact O-N 3.19Å; D249-L253 VanDerWaalsContact O-CB 3.3Å; D249-L253 WeakPolarHBondContact O-CB 3.23Å; D249-L253 PolarHBondContact O-N 3.08Å
250Y61.6Low64.3Low10 Ų1044.8 Ų44.84%0.03928%0.282CS..Hα-helixtrans-69.2-37.4173.5-174.1-104.9000111.5W183 A184 V221 I228 I246 S252 L253 L254W183-Y250 HydrophobicContact CE3-CD1 4.31Å; W183-Y250 HydrophobicContact CE3-CD2 4.21Å; W183-Y250 AromaticContact CE3-CE1 3.65Å; W183-Y250 HydrophobicContact CE3-CE1 3.65Å; W183-Y250 AromaticContact CE3-CE2 3.59Å; W183-Y250 HydrophobicContact CE3-CE2 3.59Å; W183-Y250 AromaticContact CE3-CZ 3.28Å; W183-Y250 AromaticContact CZ3-CD1 3.74Å; W183-Y250 HydrophobicContact CZ3-CD1 3.74Å; W183-Y250 AromaticContact CZ3-CD2 3.83Å; W183-Y250 HydrophobicContact CZ3-CD2 3.83Å; W183-Y250 AromaticContact CZ3-CE1 3.54Å; W183-Y250 HydrophobicContact CZ3-CE1 3.54Å; W183-Y250 AromaticContact CZ3-CE2 3.69Å; W183-Y250 HydrophobicContact CZ3-CE2 3.69Å; W183-Y250 AromaticContact CZ3-CG 3.87Å; W183-Y250 HydrophobicContact CZ3-CG 3.87Å; W183-Y250 AromaticContact CZ3-CZ 3.56Å; A184-Y250 WeakPolarHBondContact CA-OH 3.5Å; A184-Y250 WeakPolarHBondContact CB-OH 3.32Å; A184-Y250 PolarHBondContact N-OH 3.48Å; A184-Y250 PolarHBondContact O-OH 3.36Å; V221-Y250 HydrophobicContact CG1-CD2 4.39Å; I228-Y250 HydrophobicContact CD1-CE2 4.47Å; I246-Y250 HydrophobicContact CG2-CD1 3.71Å; I246-Y250 HydrophobicContact CG2-CE1 4.43Å; I246-Y250 HydrophobicContact CG2-CG 4.4Å; I246-Y250 WeakPolarHBondContact O-CB 3.47Å; Y250-S252 VanDerWaalsContact C-N 3.33Å; Y250-S252 PolarHBondContact O-N 3.41Å; Y250-L253 HydrophobicContact CD2-CD2 4.09Å; Y250-L253 HydrophobicContact CE2-CD2 4.38Å; Y250-L253 WeakPolarHBondContact O-CB 3.49Å; Y250-L253 PolarHBondContact O-N 2.78Å; Y250-L254 HydrophobicContact CD1-CD1 3.68Å; Y250-L254 HydrophobicContact CD1-CG 4.38Å; Y250-L254 HydrophobicContact CE1-CD1 3.23Å; Y250-L254 HydrophobicContact CE1-CG 4.07Å; Y250-L254 HydrophobicContact CE2-CD1 4.46Å; Y250-L254 HydrophobicContact CE2-CG 4.49Å; Y250-L254 HydrophobicContact CG-CD1 4.47Å; Y250-L254 WeakPolarHBondContact O-CB 3.12Å; Y250-L254 VanDerWaalsContact O-CG 3.24Å; Y250-L254 WeakPolarHBondContact O-CG 3.14Å; Y250-L254 PolarHBondContact O-N 2.75Å
251A59.4Low62Low9 Ų951.2 Ų51.27%0.07431%0.311CS..Hα-helixtrans-60.8-43.5171.900000111.3L254 G255 L256 M258A251-L254 CarbonylContact O-C 2.91Å; A251-L254 PolarHBondContact O-N 3.42Å; A251-G255 PolarHBondContact O-N 2.97Å; A251-L256 HydrophobicContact CB-CB 4.09Å; A251-L256 HydrophobicContact CB-CD1 4.49Å; A251-L256 WeakPolarHBondContact O-CA 3.22Å; A251-L256 WeakPolarHBondContact O-CB 3.47Å; A251-L256 PolarHBondContact O-N 3.05Å; A251-M258 HydrophobicContact CB-CG 4.34Å; A251-M258 HydrophobicContact CB-SD 4.16Å
252S61Low59.5Low62 Ų6253.4 Ų53.443%0.43433%0.333SS..Hα-helixtrans-68.5-38.1177.4-63.40000112.3K248 D249 Y250 L254 G255K248-S252 WeakPolarHBondContact O-CB 3.24Å; K248-S252 PolarHBondContact O-N 2.82Å; K248-S252 PolarHBondContact O-OG 2.76Å; D249-S252 PolarHBondContact O-N 3.19Å; Y250-S252 VanDerWaalsContact C-N 3.33Å; Y250-S252 PolarHBondContact O-N 3.41Å; S252-L254 VanDerWaalsContact C-N 3.25Å; S252-L254 PolarHBondContact O-N 2.79Å; S252-G255 WeakPolarHBondContact O-CA 3.03Å; S252-G255 PolarHBondContact O-N 3.49Å
253L55.9Low57Low60 Ų6062 Ų6231%0.31437%0.371SS..Hα-helixtrans-58.6-39.4171.2-178.967.4000111.4R186 Q223 D249 Y250 G255R186-L253 WeakPolarHBondContact CD-O 3.17Å; R186-L253 PolarHBondContact NH1-O 2.9Å; Q223-L253 HydrophobicContact CB-CD2 3.83Å; D249-L253 VanDerWaalsContact O-CB 3.3Å; D249-L253 WeakPolarHBondContact O-CB 3.23Å; D249-L253 PolarHBondContact O-N 3.08Å; Y250-L253 HydrophobicContact CD2-CD2 4.09Å; Y250-L253 HydrophobicContact CE2-CD2 4.38Å; Y250-L253 WeakPolarHBondContact O-CB 3.49Å; Y250-L253 PolarHBondContact O-N 2.78Å; L253-G255 VanDerWaalsContact C-N 3.26Å; L253-G255 PolarHBondContact O-N 3.46Å
254L55.5Low54.9Low4 Ų459.8 Ų59.82%0.02137%0.367CS..THydrogen-bonded Turntrans-79.5-2.1174.2-64.2174.9000113.9A184 F191 Y250 A251 S252 L256 L276A184-L254 HydrophobicContact CB-CD2 3.99Å; F191-L254 HydrophobicContact CD1-CD2 4.11Å; F191-L254 HydrophobicContact CE1-CD2 3.64Å; Y250-L254 HydrophobicContact CD1-CD1 3.68Å; Y250-L254 HydrophobicContact CD1-CG 4.38Å; Y250-L254 HydrophobicContact CE1-CD1 3.23Å; Y250-L254 HydrophobicContact CE1-CG 4.07Å; Y250-L254 HydrophobicContact CE2-CD1 4.46Å; Y250-L254 HydrophobicContact CE2-CG 4.49Å; Y250-L254 HydrophobicContact CG-CD1 4.47Å; Y250-L254 WeakPolarHBondContact O-CB 3.12Å; Y250-L254 VanDerWaalsContact O-CG 3.24Å; Y250-L254 WeakPolarHBondContact O-CG 3.14Å; Y250-L254 PolarHBondContact O-N 2.75Å; A251-L254 CarbonylContact O-C 2.91Å; A251-L254 PolarHBondContact O-N 3.42Å; S252-L254 VanDerWaalsContact C-N 3.25Å; S252-L254 PolarHBondContact O-N 2.79Å; L254-L256 HydrophobicContact CB-CD1 4.49Å; L254-L256 HydrophobicContact CB-CG 4.45Å; L254-L276 HydrophobicContact CB-CD2 4.04Å; L254-L276 HydrophobicContact CD1-CD1 3.98Å; L254-L276 HydrophobicContact CD1-CD2 4.21Å; L254-L276 HydrophobicContact CD2-CD1 4.5Å
255G54.7Low52.7Low21 Ų2167 Ų6722%0.21640%0.4CS..THydrogen-bonded Turntrans83.312.6178.300000115.5A251 S252 L253 G257A251-G255 PolarHBondContact O-N 2.97Å; S252-G255 WeakPolarHBondContact O-CA 3.03Å; S252-G255 PolarHBondContact O-N 3.49Å; L253-G255 VanDerWaalsContact C-N 3.26Å; L253-G255 PolarHBondContact O-N 3.46Å; G255-G257 PolarHBondContact O-N 2.92Å
256L52.9Low50.9Low30 Ų3070.5 Ų70.516%0.15742%0.421CS..  trans-85.9101.3178.8-59.1172.9000109.8A251 L254 M258 A272 L276 V279A251-L256 HydrophobicContact CB-CB 4.09Å; A251-L256 HydrophobicContact CB-CD1 4.49Å; A251-L256 WeakPolarHBondContact O-CA 3.22Å; A251-L256 WeakPolarHBondContact O-CB 3.47Å; A251-L256 PolarHBondContact O-N 3.05Å; L254-L256 HydrophobicContact CB-CD1 4.49Å; L254-L256 HydrophobicContact CB-CG 4.45Å; L256-M258 PolarHBondContact O-N 3.07Å; L256-A272 HydrophobicContact CD1-CB 4.17Å; L256-L276 HydrophobicContact CD1-CD2 4.24Å; L256-L276 HydrophobicContact CG-CD2 4.45Å; L256-V279 HydrophobicContact CD2-CG2 3.51Å
257G49.6Very low50Low83 Ų8371 Ų7186%0.85644%0.435SS*.  trans-70.978.4-177.200000114.2G255 S259G255-G257 PolarHBondContact O-N 2.92Å; G257-S259 PolarHBondContact O-N 2.99Å
258M50.4Low49.7Very low72 Ų7273.7 Ų73.736%0.35545%0.447SS..  trans-80.1118.6176.2-61.8-161.276.400111.6A251 L256 A262A251-M258 HydrophobicContact CB-CG 4.34Å; A251-M258 HydrophobicContact CB-SD 4.16Å; L256-M258 PolarHBondContact O-N 3.07Å; M258-A262 HydrophobicContact CE-CB 3.94Å
259S43.7Very low49.3Very low108 Ų10869.8 Ų69.876%0.75543%0.43SS*.  trans-72.6148.8176.263.40000111.5G257 N261G257-S259 PolarHBondContact O-N 2.99Å; S259-N261 VanDerWaalsContact C-N 3.31Å; S259-N261 PolarHBondContact O-N 3.41Å
260G41.3Very low49.3Very low58 Ų5869 Ų6960%0.59842%0.423SS*.THydrogen-bonded Turntrans-73.943.1-152.500000119.4
261N41Very low48.9Very low170 Ų17071.8 Ų71.891%0.90944%0.441SS*.THydrogen-bonded Turntrans-154.718.5170-95.5-16.9000115.5S259S259-N261 VanDerWaalsContact C-N 3.31Å; S259-N261 PolarHBondContact O-N 3.41Å
262A40.2Very low48.7Very low67 Ų6772.8 Ų72.855%0.55445%0.449SS*.  trans-92.3114.7176.400000111.1M258M258-A262 HydrophobicContact CE-CB 3.94Å
263K41.6Very low48.5Very low181 Ų18170 Ų7079%0.78743%0.429SS*.PPolyproline II helixtrans-76.3122.4165.6-75.9-173.5173.5-1690108.1
264C42.2Very low48.5Very low30 Ų3074.3 Ų74.320%0.20344%0.441CS..PPolyproline II helixtrans-90.8120.6175-83.60000110.7D268C264-D268 WeakPolarHBondContact CA-OD2 3.45Å; C264-D268 HydrophobicContact CB-CB 3.76Å
265E40Very low48.3Very low151 Ų15178.6 Ų78.671%0.70646%0.463SS*.PPolyproline II helixtrans-84.1166.9168.8-68.6-174.4177.900110.5G267 D268E265-G267 PolarHBondContact O-N 2.9Å; E265-D268 PolarHBondContact N-OD2 3.31Å; E265-D268 WeakPolarHBondContact O-CA 3.26Å; E265-D268 VanDerWaalsContact O-CB 3.26Å; E265-D268 WeakPolarHBondContact O-CB 3.35Å; E265-D268 PolarHBondContact O-N 2.74Å
266I38.7Very low48.1Very low112 Ų11277.9 Ų77.957%0.57446%0.455SS*.THydrogen-bonded Turntrans-55.6-26.6-174.1-77.5159000113.3D268 K269I266-D268 PolarHBondContact O-N 2.86Å; I266-K269 PolarHBondContact O-N 3.42Å
267G45.4Very low47.8Very low45 Ų4583 Ų8346%0.46448%0.478SS..Hα-helixtrans-67.1-17.9172.100000114.9E265 T271E265-G267 PolarHBondContact O-N 2.9Å; G267-T271 PolarHBondContact O-N 2.86Å; G267-T271 PolarHBondContact O-OG1 3.49Å
268D52.1Low47.4Very low64 Ų6485.7 Ų85.734%0.34247%0.473SS..Hα-helixtrans-79.3-16.8176.7-66.2-44.5000112.8C264 E265 I266 A272C264-D268 WeakPolarHBondContact CA-OD2 3.45Å; C264-D268 HydrophobicContact CB-CB 3.76Å; E265-D268 PolarHBondContact N-OD2 3.31Å; E265-D268 WeakPolarHBondContact O-CA 3.26Å; E265-D268 VanDerWaalsContact O-CB 3.26Å; E265-D268 WeakPolarHBondContact O-CB 3.35Å; E265-D268 PolarHBondContact O-N 2.74Å; I266-D268 PolarHBondContact O-N 2.86Å; D268-A272 WeakPolarHBondContact O-CA 3.43Å; D268-A272 WeakPolarHBondContact O-CB 3.49Å; D268-A272 PolarHBondContact O-N 3.1Å
269K51.6Low46.9Very low22 Ų2284.1 Ų84.110%0.09647%0.467CS..Hα-helixtrans-68-47.5171.1-172-163.5-168.4-166.40110.4L179 R180 A182 Y210 I246 I266 T271 A272 L273L179-K269 PolarHBondContact O-NZ 3.49Å; R180-K269 PolarHBondContact O-NZ 3.01Å; A182-K269 PolarHBondContact O-NZ 2.81Å; A182-K269 VanDerWaalsContact O-NZ 3.08Å; Y210-K269 PolarHBondContact OH-NZ 3.2Å; I246-K269 HydrophobicContact CD1-CB 4.2Å; I246-K269 HydrophobicContact CD1-CD 3.44Å; I246-K269 VanDerWaalsContact CD1-CD 3.44Å; I246-K269 HydrophobicContact CD1-CG 3.79Å; I246-K269 HydrophobicContact CG2-CG 4.4Å; I266-K269 PolarHBondContact O-N 3.42Å; K269-T271 VanDerWaalsContact C-N 3.3Å; K269-A272 PolarHBondContact O-N 3.49Å; K269-L273 HydrophobicContact CD-CD1 4.36Å; K269-L273 HydrophobicContact CG-CD1 3.98Å; K269-L273 HydrophobicContact CG-CG 4.43Å; K269-L273 VanDerWaalsContact O-CB 3.31Å; K269-L273 WeakPolarHBondContact O-CB 3.36Å; K269-L273 VanDerWaalsContact O-CG 3.24Å; K269-L273 WeakPolarHBondContact O-CG 3.47Å; K269-L273 PolarHBondContact O-N 3.23Å
270E55.4Low46.3Very low90 Ų9085.3 Ų85.342%0.42146%0.461SS..Hα-helixtrans-65.6-38.6177-67.4-170.1156.800111.1L179 R274L179-E270 HydrophobicContact CB-CG 4.29Å; L179-E270 HydrophobicContact CD1-CB 4.24Å; L179-E270 HydrophobicContact CD1-CG 4.13Å; E270-R274 WeakPolarHBondContact O-CB 3.41Å; E270-R274 WeakPolarHBondContact O-CG 3.4Å; E270-R274 PolarHBondContact O-N 3.1Å
271T54.7Low45.8Very low69 Ų6985.6 Ų85.642%0.42345%0.448SS..Hα-helixtrans-67.2-44175.5-53.20000111.5G267 K269 R274 L275G267-T271 PolarHBondContact O-N 2.86Å; G267-T271 PolarHBondContact O-OG1 3.49Å; K269-T271 VanDerWaalsContact C-N 3.3Å; T271-R274 PolarHBondContact O-N 3.14Å; T271-L275 HydrophobicContact CG2-CD1 4.08Å; T271-L275 HydrophobicContact CG2-CG 4.47Å; T271-L275 WeakPolarHBondContact O-CB 3.26Å; T271-L275 WeakPolarHBondContact O-CG 3.42Å; T271-L275 PolarHBondContact O-N 3.27Å
272A54.7Low45.1Very low29 Ų2981.7 Ų81.724%0.2443%0.43CS..Hα-helixtrans-64.4-43.9176.100000112.1L256 D268 K269 L275 L276L256-A272 HydrophobicContact CD1-CB 4.17Å; D268-A272 WeakPolarHBondContact O-CA 3.43Å; D268-A272 WeakPolarHBondContact O-CB 3.49Å; D268-A272 PolarHBondContact O-N 3.1Å; K269-A272 PolarHBondContact O-N 3.49Å; A272-L275 PolarHBondContact O-N 3.03Å; A272-L276 WeakPolarHBondContact O-CG 3.43Å; A272-L276 PolarHBondContact O-N 3.38Å; A272-L276 VanDerWaalsContact O-N 3.1Å
273L57.3Low44.4Very low3 Ų381.6 Ų81.62%0.01642%0.423CS..Hα-helixtrans-69.5-30.7176.3-68.4176.2000112.3L179 A184 Y193 K269 L276L179-L273 HydrophobicContact CB-CD1 4.09Å; L179-L273 HydrophobicContact CD1-CB 4.06Å; L179-L273 HydrophobicContact CD1-CD1 4.3Å; L179-L273 HydrophobicContact CD2-CD1 4.02Å; L179-L273 HydrophobicContact CG-CD1 4.36Å; A184-L273 HydrophobicContact CB-CD2 3.92Å; Y193-L273 HydrophobicContact CE1-CD2 4.47Å; K269-L273 HydrophobicContact CD-CD1 4.36Å; K269-L273 HydrophobicContact CG-CD1 3.98Å; K269-L273 HydrophobicContact CG-CG 4.43Å; K269-L273 VanDerWaalsContact O-CB 3.31Å; K269-L273 WeakPolarHBondContact O-CB 3.36Å; K269-L273 VanDerWaalsContact O-CG 3.24Å; K269-L273 WeakPolarHBondContact O-CG 3.47Å; K269-L273 PolarHBondContact O-N 3.23Å; L273-L276 HydrophobicContact CD2-CD1 3.57Å; L273-L276 WeakPolarHBondContact O-CB 3.47Å; L273-L276 PolarHBondContact O-N 2.72Å
274R55.2Low43.9Very low151 Ų15179.9 Ų79.957%0.5742%0.422SS*.Hα-helixtrans-69.8-41.3169.4-78.6175.1-174.6-170.17112M175 E270 T271 L276 Q277M175-R274 HydrophobicContact CE-CG 3.92Å; E270-R274 WeakPolarHBondContact O-CB 3.41Å; E270-R274 WeakPolarHBondContact O-CG 3.4Å; E270-R274 PolarHBondContact O-N 3.1Å; T271-R274 PolarHBondContact O-N 3.14Å; R274-L276 PolarHBondContact O-N 3.35Å; R274-Q277 WeakPolarHBondContact O-CB 3.32Å; R274-Q277 PolarHBondContact O-N 2.89Å; R274-Q277 VanDerWaalsContact O-N 3.1Å
275L50.8Low43.2Very low94 Ų9484.5 Ų84.549%0.49245%0.451SS..Hα-helixtrans-62.2-25175-74.2166.1000112.2T271 A272 Q277 D278 V279T271-L275 HydrophobicContact CG2-CD1 4.08Å; T271-L275 HydrophobicContact CG2-CG 4.47Å; T271-L275 WeakPolarHBondContact O-CB 3.26Å; T271-L275 WeakPolarHBondContact O-CG 3.42Å; T271-L275 PolarHBondContact O-N 3.27Å; A272-L275 PolarHBondContact O-N 3.03Å; L275-Q277 PolarHBondContact O-N 2.66Å; L275-D278 PolarHBondContact O-N 2.67Å; L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 2.88Å
276L51.8Low42.6Very low7 Ų785.6 Ų85.64%0.03746%0.456CS..THydrogen-bonded Turntrans-62.1-17.8172.7-66.6176.8000114.2A184 F191 Y193 L254 L256 A272 L273 R274 D278 V279A184-L276 HydrophobicContact CB-CD1 3.72Å; F191-L276 HydrophobicContact CE1-CD2 4.33Å; F191-L276 HydrophobicContact CE2-CD2 4.25Å; F191-L276 HydrophobicContact CZ-CD2 4.01Å; Y193-L276 HydrophobicContact CE1-CD1 4.44Å; L254-L276 HydrophobicContact CB-CD2 4.04Å; L254-L276 HydrophobicContact CD1-CD1 3.98Å; L254-L276 HydrophobicContact CD1-CD2 4.21Å; L254-L276 HydrophobicContact CD2-CD1 4.5Å; L256-L276 HydrophobicContact CD1-CD2 4.24Å; L256-L276 HydrophobicContact CG-CD2 4.45Å; A272-L276 WeakPolarHBondContact O-CG 3.43Å; A272-L276 PolarHBondContact O-N 3.38Å; A272-L276 VanDerWaalsContact O-N 3.1Å; L273-L276 HydrophobicContact CD2-CD1 3.57Å; L273-L276 WeakPolarHBondContact O-CB 3.47Å; L273-L276 PolarHBondContact O-N 2.72Å; R274-L276 PolarHBondContact O-N 3.35Å; L276-D278 PolarHBondContact O-N 3.18Å; L276-V279 HydrophobicContact CD2-CG2 4.22Å
277Q46.4Very low42Very low136 Ų13686.2 Ų86.264%0.63647%0.468SS*.THydrogen-bonded Turntrans-64.8-25.9171.7-75.8-173.7-2200112.2R274 L275R274-Q277 WeakPolarHBondContact O-CB 3.32Å; R274-Q277 PolarHBondContact O-N 2.89Å; R274-Q277 VanDerWaalsContact O-N 3.1Å; L275-Q277 PolarHBondContact O-N 2.66Å
278D40.7Very low41.1Very low140 Ų14089.6 Ų89.675%0.74948%0.484SS*.SBendtrans-107.72.4-175.4-65.1-26.9000113.3L275 L276 Q280L275-D278 PolarHBondContact O-N 2.67Å; L276-D278 PolarHBondContact O-N 3.18Å; D278-Q280 PolarHBondContact O-N 3.41Å
279V40.4Very low39.9Very low40 Ų4092.1 Ų92.124%0.24251%0.507CS..  trans-80.7102.6179.7177.90000110.8F191 L256 L275 L276F191-V279 HydrophobicContact CE2-CB 4.44Å; F191-V279 HydrophobicContact CE2-CG1 4.4Å; L256-V279 HydrophobicContact CD2-CG2 3.51Å; L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 2.88Å; L276-V279 HydrophobicContact CD2-CG2 4.22Å
280Q31.9Very low38.7Very low133 Ų13397.5 Ų97.562%0.62154%0.542SS*.  trans-69133.1155.6-73.7-176.7-24.700109.9D278 V282D278-Q280 PolarHBondContact O-N 3.41Å; Q280-V282 PolarHBondContact O-N 3.43Å
281L30.2Very low37.2Very low64 Ų6498.1 Ų98.134%0.33556%0.556SS.*  trans-42.6126.8-177.6-81.4146.8000114.5Q883L281-Q883 VanDerWaalsContact CB-NE2 3.28Å; L281-Q883 PolarHBondContact O-NE2 2.68Å
282V25.3Very low35.9Very low88 Ų88103.1 Ų103.153%0.53358%0.579SS.*  trans-101.1113.4162.2176.40000109.5R186 Q280R186-V282 PolarHBondContact NH2-O 3.42Å; Q280-V282 PolarHBondContact O-N 3.43Å
283T25.8Very low34.4Very low65 Ų65113.1 Ų113.140%0.39961%0.611SS.*  trans-70.314317831.50000114.1Q883T283-Q883 PolarHBondContact OG1-OE1 3.42Å
284L32.5Very low32.9Very low145 Ų145118.6 Ų118.676%0.75965%0.65SS**  trans78.5142.9148.3-64.3165.4000120.2
285P27Very low31.4Very low126 Ų126119.2 Ų119.282%0.81866%0.664SS**  -145.3167.669.135.2-13.5000118.6
286E26.3Very low30.1Very low174 Ų174120.1 Ų120.181%0.81368%0.678SS**PPolyproline II helixtrans-62.2154.3173-72-160.7155.500114.7S288E286-S288 PolarHBondContact O-N 2.85Å
287P27.4Very low28.9Very low126 Ų126125.9 Ų125.982%0.81872%0.719SS**PPolyproline II helixtrans-71.9126.2-178.228-33.2000113.1S289P287-S289 PolarHBondContact O-N 3.2Å
288S25.9Very low28Very low116 Ų116128.4 Ų128.481%0.81173%0.731SS**PPolyproline II helixtrans-70.7118.1165.823.80000110E286E286-S288 PolarHBondContact O-N 2.85Å
289S27.1Very low27.2Very low117 Ų117127.6 Ų127.682%0.81874%0.736SS**  trans-91.496.7169.744.50000109.9P287P287-S289 PolarHBondContact O-N 3.2Å
290T25.5Very low26.4Very low134 Ų134134.5 Ų134.582%0.82277%0.766SS**  trans-142.6102158.649.30000110.6
291S25.2Very low25.9Very low103 Ų103133.6 Ų133.672%0.7277%0.774SS**  trans-134.6105.9149.762.50000109.4W293S291-W293 PolarHBondContact O-N 3.28Å
292L25.7Very low25.8Very low175 Ų175136.4 Ų136.492%0.91680%0.796SS**  trans-57.9121.3163.9-78.6140.2000109.9
293W24.2Very low25.7Very low239 Ų239140.2 Ų140.291%0.90581%0.81SS**  trans-128.7127.5155.2-7663.7000108.1S291S291-W293 PolarHBondContact O-N 3.28Å
294S25.7Very low25.6Very low118 Ų118142.9 Ų142.983%0.82583%0.829SS**  trans-79.4133.8-175.138.60000112.2
295D24.3Very low25.2Very low163 Ų163141.7 Ų141.787%0.87283%0.827SS**  trans-70.1129160.6-95.4-32.1000110.3
296S23.8Very low25.1Very low113 Ų113143.4 Ų143.479%0.7983%0.828SS**  trans168.3113134.6-74.20000110.5
297S25.9Very low24.8Very low128 Ų128139.8 Ų139.890%0.89582%0.822SS**  164.9150.5116.150.80000112.8
298Q26.3Very low24.6Very low189 Ų189143.3 Ų143.388%0.88383%0.828SS**  trans-74.1149.8-168.9-58.7160-12.700112.8
299S25Very low24.4Very low123 Ų123143.5 Ų143.586%0.8683%0.829SS**  trans-164.2153.2133.764.70000112.3
300Q23Very low24.3Very low185 Ų185143.9 Ų143.986%0.86483%0.831SS**  trans-77.7151.9-163.9-64.7158.3-17.600113.9
301S22.8Very low24.3Very low114 Ų114142.4 Ų142.480%0.79783%0.826SS**  trans5.5158.2143.6-53.40000120.2
302P26.9Very low24.4Very low124 Ų124142.8 Ų142.881%0.80583%0.829SS**  cis-143.8166.429.437.1-14.9000118.1
303M24.1Very low24.4Very low167 Ų167140.9 Ų140.982%0.82382%0.824SS**  trans-56158.6161.7-92.3-162.8164.900113.4
304P23.5Very low24.6Very low121 Ų121133.8 Ų133.879%0.78681%0.808SS**  trans-104.7127.2136.212.47000110.9
305V24.7Very low25Very low121 Ų121134.9 Ų134.973%0.73381%0.805SS**  trans-69.5129.9165.8170.50000109
306I22.9Very low25.9Very low161 Ų161135.7 Ų135.783%0.82680%0.8SS**  trans-131.7124.4150.9-58.2-178.5000108.7
307S21.8Very low27.3Very low99 Ų99135.3 Ų135.369%0.69278%0.782SS**  trans-67.7157.7-176.137.80000115
308E22.3Very low28.5Very low200 Ų200136.5 Ų136.594%0.93578%0.778SS**  trans-50.2136173.6-62174.8147.300114.2
309S21.5Very low30.7Very low119 Ų119131 Ų13183%0.83275%0.752SS**  trans-141117.2146.860.60000109
310S25.7Very low32.3Very low125 Ų125128.8 Ų128.887%0.87473%0.73SS**  trans-70.9122.5177.3430000111.7
311S24.7Very low33.4Very low103 Ų103125.7 Ų125.772%0.7273%0.726SS**  trans-150.5126.1153.863.30000110.1V313S311-V313 PolarHBondContact O-N 2.93Å
312S26.8Very low34.9Very low112 Ų112121.3 Ų121.378%0.78370%0.699SS**  trans-44.8119.1179.952.90000114.5T314S312-T314 PolarHBondContact O-N 2.83Å
313V26Very low36.6Very low134 Ų134116 Ų11681%0.81266%0.664SS**  trans-85.8103.5168.2-177.10000108.2S311S311-V313 PolarHBondContact O-N 2.93Å
314T29.9Very low38.6Very low90 Ų90114.8 Ų114.855%0.55266%0.657SS**  trans-79.5135.7156.137.70000106.7S312 K316S312-T314 PolarHBondContact O-N 2.83Å; T314-K316 VanDerWaalsContact C-N 3.29Å; T314-K316 PolarHBondContact O-N 2.91Å
315D33.6Very low40.6Very low142 Ų142116.8 Ų116.876%0.75965%0.653SS**  trans-58.992.1173.4-76.3-30.4000109.3
316K42.3Very low42.9Very low180 Ų180112 Ų11278%0.78362%0.623SS**  trans-84.4114.2171-91.5-175.7174.1-179.80107.4T314T314-K316 VanDerWaalsContact C-N 3.29Å; T314-K316 PolarHBondContact O-N 2.91Å
317Y54.1Low45.3Very low105 Ų105107.2 Ų107.241%0.41260%0.599SS.*  trans-72.2129.4162.3-64.7-90.1000108.1F319 F340Y317-F319 PolarHBondContact O-N 2.94Å; Y317-F319 VanDerWaalsContact O-N 3.1Å; Y317-F340 AromaticContact CD1-CE1 3.88Å; Y317-F340 HydrophobicContact CD1-CE1 3.88Å; Y317-F340 AromaticContact CD2-CE1 3.72Å; Y317-F340 HydrophobicContact CD2-CE1 3.72Å; Y317-F340 HydrophobicContact CD2-CZ 4.05Å; Y317-F340 HydrophobicContact CE1-CE1 4.01Å; Y317-F340 HydrophobicContact CE1-CZ 4.23Å; Y317-F340 AromaticContact CE2-CE1 3.89Å; Y317-F340 HydrophobicContact CE2-CE1 3.89Å; Y317-F340 AromaticContact CE2-CZ 3.75Å; Y317-F340 HydrophobicContact CE2-CZ 3.75Å; Y317-F340 AromaticContact CG-CE1 3.73Å; Y317-F340 HydrophobicContact CG-CE1 3.73Å; Y317-F340 HydrophobicContact CG-CZ 4.43Å; Y317-F340 AromaticContact CZ-CZ 3.85Å
318D51Low47.6Very low152 Ų152106.6 Ų106.681%0.81359%0.594SS**  trans-75.697.4175-71.2-32.7000109.4
319F71.2Confident49.8Very low75 Ų7599.2 Ų99.233%0.32956%0.56SS.*PPolyproline II helixtrans-74.1147.8174.4-60.2-54.1000111Y317 S323 F340 K360 L361Y317-F319 PolarHBondContact O-N 2.94Å; Y317-F319 VanDerWaalsContact O-N 3.1Å; F319-S323 WeakPolarHBondContact CB-OG 3.34Å; F319-F340 AromaticContact CE1-CD1 3.94Å; F319-F340 HydrophobicContact CE1-CD1 3.94Å; F319-F340 HydrophobicContact CE1-CE1 4.49Å; F319-K360 HydrophobicContact CB-CB 4.26Å; F319-K360 HydrophobicContact CD1-CB 3.46Å; F319-K360 VanDerWaalsContact CD1-CB 3.46Å; F319-K360 HydrophobicContact CD1-CD 4.45Å; F319-K360 HydrophobicContact CE1-CB 3.93Å; F319-K360 HydrophobicContact CE1-CD 4.4Å; F319-K360 HydrophobicContact CG-CB 3.93Å; F319-K360 HydrophobicContact CZ-CD 4.45Å; F319-L361 HydrophobicContact CD1-CD2 3.77Å; F319-L361 HydrophobicContact CD1-CG 4.37Å; F319-L361 HydrophobicContact CE1-CD2 4.05Å; F319-L361 HydrophobicContact CE1-CG 4.5Å
320L59.5Low51.8Low76 Ų7698.7 Ų98.740%0.39855%0.554SS.*PPolyproline II helixtrans-65.4144.3-179.7-73.8173.3000111.3G322 S323 K360 L361 M363L320-G322 PolarHBondContact O-N 2.92Å; L320-S323 VanDerWaalsContact O-CB 3.32Å; L320-S323 WeakPolarHBondContact O-CB 3.46Å; L320-S323 PolarHBondContact O-N 2.8Å; L320-S323 PolarHBondContact O-OG 3.32Å; L320-K360 PolarHBondContact N-O 3.49Å; L320-L361 WeakPolarHBondContact CD1-O 3.4Å; L320-L361 WeakPolarHBondContact CG-O 3.33Å; L320-M363 HydrophobicContact CB-CG 4.14Å; L320-M363 HydrophobicContact CD1-CG 4.09Å
321P45.5Very low53.5Low120 Ų12097.1 Ų97.178%0.77954%0.536SS*.THydrogen-bonded Turntrans-54.9132.6175.6-22.931.9000111.6
322G54.3Low55.3Low22 Ų2293.8 Ų93.823%0.22751%0.514CS..THydrogen-bonded Turntrans97.9-9.6-176.200000114.8L320 E324 K325L320-G322 PolarHBondContact O-N 2.92Å; G322-E324 PolarHBondContact N-OE1 3.05Å; G322-E324 PolarHBondContact N-OE2 2.96Å; G322-E324 PolarHBondContact O-N 3.35Å; G322-K325 PolarHBondContact O-N 3.22Å
323S63.9Low57.3Low11 Ų1194.6 Ų94.68%0.07751%0.505CS..G310 helixtrans-68.5-20.6171.162.60000113.2F319 L320 K325 L326F319-S323 WeakPolarHBondContact CB-OG 3.34Å; L320-S323 VanDerWaalsContact O-CB 3.32Å; L320-S323 WeakPolarHBondContact O-CB 3.46Å; L320-S323 PolarHBondContact O-N 2.8Å; L320-S323 PolarHBondContact O-OG 3.32Å; S323-K325 PolarHBondContact O-N 3.11Å; S323-L326 WeakPolarHBondContact O-CB 3.4Å; S323-L326 PolarHBondContact O-N 3.49Å
324E65.3Low58.8Low143 Ų14394.9 Ų94.967%0.66850%0.498SS*.G310 helixtrans-64.7-17173.962.3-86174.600114.3G322 L326G322-E324 PolarHBondContact N-OE1 3.05Å; G322-E324 PolarHBondContact N-OE2 2.96Å; G322-E324 PolarHBondContact O-N 3.35Å; E324-L326 VanDerWaalsContact C-N 3.33Å
325K65.2Low60.1Low163 Ų16398.6 Ų98.671%0.70951%0.509SS*.G310 helixtrans-84.5-5.6178-62.4-177.7-177176.50113.5G322 S323 P345G322-K325 PolarHBondContact O-N 3.22Å; S323-K325 PolarHBondContact O-N 3.11Å; K325-P345 WeakPolarHBondContact O-CD 3.41Å; K325-P345 WeakPolarHBondContact O-CG 3.45Å
326L73.9Confident62Low20 Ų2093.4 Ų93.411%0.10548%0.483CS..SBendtrans-88.2138.2-178.9-59.9170.3000111.3S323 E324 S328 L343 E344 V358 K360 M363S323-L326 WeakPolarHBondContact O-CB 3.4Å; S323-L326 PolarHBondContact O-N 3.49Å; E324-L326 VanDerWaalsContact C-N 3.33Å; L326-S328 PolarHBondContact O-N 2.88Å; L326-L343 CarbonylContact C-O 3.56Å; L326-E344 HydrophobicContact CD2-CB 4.46Å; L326-V358 HydrophobicContact CD1-CB 3.8Å; L326-V358 HydrophobicContact CD1-CG1 3.86Å; L326-V358 HydrophobicContact CD2-CB 4.01Å; L326-V358 HydrophobicContact CD2-CG1 4.34Å; L326-V358 HydrophobicContact CD2-CG2 4.07Å; L326-K360 HydrophobicContact CD1-CG 4.44Å; L326-M363 HydrophobicContact CD1-CE 4.28Å; L326-M363 HydrophobicContact CD1-SD 4.32Å
327L72.8Confident63.4Low61 Ų6185.2 Ų85.232%0.31945%0.449SS..EExtended strand (participates in β ladder)trans-70.6128.6175.4-64.1173000110.3G342 L343 P345 P351L327-G342 CarbonylContact O-C 3.35Å; L327-G342 VanDerWaalsContact O-CA 3.23Å; L327-G342 WeakPolarHBondContact O-CA 3Å; L327-L343 HydrophobicContact CB-CB 4.36Å; L327-L343 PolarHBondContact N-O 3.34Å; L327-L343 PolarHBondContact O-N 2.87Å; L327-P345 HydrophobicContact CD1-CB 3.88Å; L327-P345 HydrophobicContact CG-CB 4.03Å; L327-P345 HydrophobicContact CG-CG 4.49Å; L327-P351 HydrophobicContact CD1-CG 4.04Å
328S69.9Low64.5Low85 Ų8581.1 Ų81.159%0.59443%0.433SS*.EExtended strand (participates in β ladder)trans-75.1136.6177.1-660000111.2L326L326-S328 PolarHBondContact O-N 2.88Å
329H68.5Low65.8Low46 Ų4676.1 Ų76.121%0.21341%0.405CS..PPolyproline II helixtrans-74.3144.9178.8-168.8-91.4000110.8N331 A332 W338H329-N331 PolarHBondContact ND1-N 3.37Å; H329-N331 PolarHBondContact O-N 2.9Å; H329-A332 WeakPolarHBondContact O-CB 3.44Å; H329-A332 PolarHBondContact O-N 2.85Å; H329-W338 HydrophobicContact CB-CB 4.42Å; H329-W338 HydrophobicContact CB-CD2 3.81Å; H329-W338 HydrophobicContact CB-CE3 3.37Å; H329-W338 HydrophobicContact CB-CG 4.29Å; H329-W338 HydrophobicContact CB-CZ3 3.84Å; H329-W338 AromaticContact CD2-CH2 3.71Å; H329-W338 AromaticContact CD2-CZ3 3.72Å; H329-W338 AromaticContact CE1-CE2 3.98Å; H329-W338 AromaticContact CG-CD2 3.65Å; H329-W338 AromaticContact CG-CE2 3.98Å; H329-W338 AromaticContact CG-CE3 3.54Å; H329-W338 AromaticContact CG-CZ3 3.75Å; H329-W338 AromaticContact ND1-CD2 3.69Å; H329-W338 AromaticContact ND1-CE2 3.77Å; H329-W338 AromaticContact ND1-CG 3.98Å; H329-W338 AromaticContact NE2-CZ2 3.98Å
330P63Low66.1Low108 Ų10873.4 Ų73.470%0.70139%0.393SS*.THydrogen-bonded Turntrans-55.4-28.6-179-26.833.6000114.7A332P330-A332 VanDerWaalsContact C-N 3.34Å
331N62.7Low67.1Low92 Ų9269.8 Ų69.849%0.49237%0.374SS..THydrogen-bonded Turntrans-9216.2179.6-61.7-17.9000113.8H329 H333 S336H329-N331 PolarHBondContact ND1-N 3.37Å; H329-N331 PolarHBondContact O-N 2.9Å; N331-H333 VanDerWaalsContact C-N 3.27Å; N331-H333 PolarHBondContact O-N 3.22Å; N331-H333 VanDerWaalsContact O-N 3.07Å; N331-S336 VanDerWaalsContact O-CB 3.23Å; N331-S336 WeakPolarHBondContact O-CB 3.5Å; N331-S336 PolarHBondContact O-OG 2.81Å
332A62.5Low68.8Low33 Ų3364.1 Ų64.127%0.27334%0.337SS..  trans-82.564.1178.600000111.8H329 P330 W338H329-A332 WeakPolarHBondContact O-CB 3.44Å; H329-A332 PolarHBondContact O-N 2.85Å; P330-A332 VanDerWaalsContact C-N 3.34Å; A332-W338 HydrophobicContact CB-CB 4Å; A332-W338 WeakPolarHBondContact CB-O 3.28Å
333H68.3Low70.1Confident128 Ų12863.6 Ų63.659%0.59333%0.329SS*.  trans-88.2158.9171.3-57.1-57.3000111.3N331 H335 S336N331-H333 VanDerWaalsContact C-N 3.27Å; N331-H333 PolarHBondContact O-N 3.22Å; N331-H333 VanDerWaalsContact O-N 3.07Å; H333-H335 PolarHBondContact O-N 2.85Å; H333-S336 WeakPolarHBondContact O-CB 3.34Å; H333-S336 PolarHBondContact O-N 2.84Å
334Q56.5Low70.7Confident140 Ų14066.1 Ų66.165%0.65434%0.34SS*.THydrogen-bonded Turntrans-55122.9173-146.2164.610.100107.5
335H59.1Low71.1Confident169 Ų16961.5 Ų61.578%0.78232%0.322SS*.THydrogen-bonded Turntrans86.32.1-173.1-39.9-62.7000117.8H333H333-H335 PolarHBondContact O-N 2.85Å
336S72.2Confident71.3Confident32 Ų3255.8 Ų55.822%0.22430%0.299CS..SBendtrans-90.91441681770000110.6N331 H333 W338 Q339N331-S336 VanDerWaalsContact O-CB 3.23Å; N331-S336 WeakPolarHBondContact O-CB 3.5Å; N331-S336 PolarHBondContact O-OG 2.81Å; H333-S336 WeakPolarHBondContact O-CB 3.34Å; H333-S336 PolarHBondContact O-N 2.84Å; S336-W338 PolarHBondContact O-N 3.24Å; S336-W338 VanDerWaalsContact O-N 3.07Å; S336-W338 PolarHBondContact OG-N 3.32Å; S336-Q339 VanDerWaalsContact O-CB 3.24Å; S336-Q339 WeakPolarHBondContact O-CB 3.41Å; S336-Q339 PolarHBondContact O-N 2.99Å
337A72.3Confident70.6Confident9 Ų961.5 Ų61.57%0.07434%0.337CS..G310 helixtrans-51.4-34.9172.900000111.4Q339 F340 F341 L375 Q376 L379A337-Q339 PolarHBondContact O-N 2.78Å; A337-Q339 VanDerWaalsContact O-N 3.12Å; A337-F340 PolarHBondContact O-N 2.96Å; A337-F340 VanDerWaalsContact O-N 3.14Å; A337-F341 VanDerWaalsContact O-CD2 3.26Å; A337-F341 WeakPolarHBondContact O-CD2 3.24Å; A337-L375 HydrophobicContact CB-CB 4.25Å; A337-Q376 HydrophobicContact CB-CB 4.37Å; A337-L379 HydrophobicContact CB-CD1 4.23Å
338W76.9Confident70Confident18 Ų1863.7 Ų63.77%0.06835%0.353CS..G310 helixtrans-62.1-15.4177.9-73.8104.7000115.2H329 A332 S336 F340 F341 A357 C368 L375H329-W338 HydrophobicContact CB-CB 4.42Å; H329-W338 HydrophobicContact CB-CD2 3.81Å; H329-W338 HydrophobicContact CB-CE3 3.37Å; H329-W338 HydrophobicContact CB-CG 4.29Å; H329-W338 HydrophobicContact CB-CZ3 3.84Å; H329-W338 AromaticContact CD2-CH2 3.71Å; H329-W338 AromaticContact CD2-CZ3 3.72Å; H329-W338 AromaticContact CE1-CE2 3.98Å; H329-W338 AromaticContact CG-CD2 3.65Å; H329-W338 AromaticContact CG-CE2 3.98Å; H329-W338 AromaticContact CG-CE3 3.54Å; H329-W338 AromaticContact CG-CZ3 3.75Å; H329-W338 AromaticContact ND1-CD2 3.69Å; H329-W338 AromaticContact ND1-CE2 3.77Å; H329-W338 AromaticContact ND1-CG 3.98Å; H329-W338 AromaticContact NE2-CZ2 3.98Å; A332-W338 HydrophobicContact CB-CB 4Å; A332-W338 WeakPolarHBondContact CB-O 3.28Å; S336-W338 PolarHBondContact O-N 3.24Å; S336-W338 VanDerWaalsContact O-N 3.07Å; S336-W338 PolarHBondContact OG-N 3.32Å; W338-F340 PolarHBondContact O-N 2.72Å; W338-F341 HydrophobicContact CE3-CB 4.2Å; W338-F341 PolarHBondContact O-N 3.45Å; W338-A357 HydrophobicContact CH2-CB 4.1Å; W338-A357 HydrophobicContact CZ3-CB 3.68Å; W338-C368 HydrophobicContact CH2-CB 4.07Å; W338-C368 HydrophobicContact CZ2-CB 4.36Å; W338-L375 HydrophobicContact CD2-CD1 3.58Å; W338-L375 VanDerWaalsContact CE2-CD1 3.43Å; W338-L375 HydrophobicContact CE3-CD1 3.71Å; W338-L375 HydrophobicContact CG-CD1 4.32Å; W338-L375 HydrophobicContact CH2-CD1 3.65Å; W338-L375 HydrophobicContact CZ2-CD1 3.48Å; W338-L375 VanDerWaalsContact CZ2-CD1 3.48Å; W338-L375 HydrophobicContact CZ3-CD1 3.75Å
339Q79.1Confident69.4Low48 Ų4861.9 Ų61.922%0.22435%0.348CS..G310 helixtrans-58.5-33.6172.6-175.7177.1-2.400111.6S336 A337 K360S336-Q339 VanDerWaalsContact O-CB 3.24Å; S336-Q339 WeakPolarHBondContact O-CB 3.41Å; S336-Q339 PolarHBondContact O-N 2.99Å; A337-Q339 PolarHBondContact O-N 2.78Å; A337-Q339 VanDerWaalsContact O-N 3.12Å; Q339-K360 PolarHBondContact O-NZ 2.84Å
340F77.9Confident69.2Low18 Ų1868.3 Ų68.38%0.07937%0.371CS..G310 helixtrans-93.44.8-177.1-56.6-84.3000113.4Y317 F319 A337 W338 C359 K360 L361 L379Y317-F340 AromaticContact CD1-CE1 3.88Å; Y317-F340 HydrophobicContact CD1-CE1 3.88Å; Y317-F340 AromaticContact CD2-CE1 3.72Å; Y317-F340 HydrophobicContact CD2-CE1 3.72Å; Y317-F340 HydrophobicContact CD2-CZ 4.05Å; Y317-F340 HydrophobicContact CE1-CE1 4.01Å; Y317-F340 HydrophobicContact CE1-CZ 4.23Å; Y317-F340 AromaticContact CE2-CE1 3.89Å; Y317-F340 HydrophobicContact CE2-CE1 3.89Å; Y317-F340 AromaticContact CE2-CZ 3.75Å; Y317-F340 HydrophobicContact CE2-CZ 3.75Å; Y317-F340 AromaticContact CG-CE1 3.73Å; Y317-F340 HydrophobicContact CG-CE1 3.73Å; Y317-F340 HydrophobicContact CG-CZ 4.43Å; Y317-F340 AromaticContact CZ-CZ 3.85Å; F319-F340 AromaticContact CE1-CD1 3.94Å; F319-F340 HydrophobicContact CE1-CD1 3.94Å; F319-F340 HydrophobicContact CE1-CE1 4.49Å; A337-F340 PolarHBondContact O-N 2.96Å; A337-F340 VanDerWaalsContact O-N 3.14Å; W338-F340 PolarHBondContact O-N 2.72Å; F340-C359 CarbonylContact O-C 3.59Å; F340-K360 PolarHBondContact O-N 3.27Å; F340-L361 HydrophobicContact CD1-CD1 3.75Å; F340-L361 HydrophobicContact CD1-CG 4.17Å; F340-L361 HydrophobicContact CE1-CD1 4.35Å; F340-L379 HydrophobicContact CB-CD1 4.26Å; F340-L379 HydrophobicContact CB-CD2 3.88Å; F340-L379 HydrophobicContact CD2-CD1 3.79Å; F340-L379 HydrophobicContact CG-CD1 4.24Å; F340-L379 HydrophobicContact CG-CD2 4.16Å
341F80.1Confident69.3Low0 Ų065 Ų650%035%0.349CS..EExtended strand (participates in β ladder)trans-132.9151.7-177.8-63.7-97.5000112.3A337 W338 A357 V358 C359 K360 V366 L375 H378 L379A337-F341 VanDerWaalsContact O-CD2 3.26Å; A337-F341 WeakPolarHBondContact O-CD2 3.24Å; W338-F341 HydrophobicContact CE3-CB 4.2Å; W338-F341 PolarHBondContact O-N 3.45Å; F341-A357 HydrophobicContact CB-CB 4.17Å; F341-A357 HydrophobicContact CD1-CB 4.35Å; F341-V358 CarbonylContact C-O 3.55Å; F341-V358 VanDerWaalsContact CA-O 3.22Å; F341-V358 WeakPolarHBondContact CA-O 3.37Å; F341-C359 VanDerWaalsContact CD1-CA 3.42Å; F341-C359 HydrophobicContact CD1-CB 3.83Å; F341-C359 HydrophobicContact CE1-CB 3.5Å; F341-C359 VanDerWaalsContact CE1-CB 3.5Å; F341-C359 HydrophobicContact CZ-CB 4.23Å; F341-K360 WeakPolarHBondContact O-CE 3.32Å; F341-V366 HydrophobicContact CE1-CB 4.21Å; F341-V366 HydrophobicContact CE1-CG2 3.84Å; F341-L375 HydrophobicContact CD1-CD2 3.86Å; F341-L375 HydrophobicContact CD2-CB 4.18Å; F341-L375 HydrophobicContact CD2-CD1 4.37Å; F341-L375 HydrophobicContact CD2-CD2 4.36Å; F341-L375 HydrophobicContact CE1-CD2 3.88Å; F341-L375 HydrophobicContact CE2-CB 3.83Å; F341-L375 HydrophobicContact CE2-CD2 4.37Å; F341-L375 HydrophobicContact CG-CD1 4.44Å; F341-L375 HydrophobicContact CG-CD2 4.12Å; F341-L375 HydrophobicContact CZ-CB 4.12Å; F341-L375 HydrophobicContact CZ-CD2 4.14Å; F341-H378 AromaticContact CE1-CD2 3.91Å; F341-H378 HydrophobicContact CZ-CB 4.32Å; F341-H378 AromaticContact CZ-CD2 3.59Å; F341-L379 HydrophobicContact CE2-CD1 3.83Å; F341-L379 HydrophobicContact CE2-CD2 3.81Å; F341-L379 HydrophobicContact CE2-CG 3.64Å; F341-L379 HydrophobicContact CZ-CD2 4.05Å; F341-L379 HydrophobicContact CZ-CG 3.98Å
342G81.4Confident69.3Low0 Ų065.5 Ų65.50%035%0.351CS..EExtended strand (participates in β ladder)trans-141161.5173.800000111.6L327 V358L327-G342 CarbonylContact O-C 3.35Å; L327-G342 VanDerWaalsContact O-CA 3.23Å; L327-G342 WeakPolarHBondContact O-CA 3Å; G342-V358 PolarHBondContact N-O 3.1Å; G342-V358 PolarHBondContact O-N 3.14Å
343L81.1Confident69.5Low11 Ų1167.5 Ų67.56%0.05836%0.358CS..EExtended strand (participates in β ladder)trans-97.5142.5178.5-62.3173.3000110.2L326 L327 P351 M356 A357L326-L343 CarbonylContact C-O 3.56Å; L327-L343 HydrophobicContact CB-CB 4.36Å; L327-L343 PolarHBondContact N-O 3.34Å; L327-L343 PolarHBondContact O-N 2.87Å; L343-P351 HydrophobicContact CB-CB 4.21Å; L343-P351 HydrophobicContact CD1-CB 3.98Å; L343-P351 HydrophobicContact CD1-CG 4.21Å; L343-M356 VanDerWaalsContact CD2-O 3.24Å; L343-M356 WeakPolarHBondContact CD2-O 3.35Å; L343-A357 HydrophobicContact CD2-CB 4.21Å
344E77Confident69.5Low64 Ų6470.6 Ų70.630%0.29936%0.364SS..PPolyproline II helixtrans-75.7126.8177.6-160.6175.1-147.100110.1L326 L352 R365L326-E344 HydrophobicContact CD2-CB 4.46Å; E344-L352 WeakPolarHBondContact O-CB 3.33Å; E344-L352 PolarHBondContact O-N 2.98Å; E344-R365 IonicContact OE1-CZ 2.95Å; E344-R365 IonicContact OE1-NH2 3.71Å; E344-R365 PolarHBondContact OE1-NH2 2.84Å; E344-R365 IonicContact OE2-CZ 3.3Å; E344-R365 IonicContact OE2-NH1 3.04Å; E344-R365 PolarHBondContact OE2-NH1 3.4Å; E344-R365 IonicContact OE2-NH2 2.71Å; E344-R365 PolarHBondContact OE2-NH2 3.2Å
345P72.7Confident70Confident47 Ų4766 Ų6631%0.30535%0.348SS..BIsolated β-bridgetrans-77143.1175.529-31.3000111.6K325 L327 R350K325-P345 WeakPolarHBondContact O-CD 3.41Å; K325-P345 WeakPolarHBondContact O-CG 3.45Å; L327-P345 HydrophobicContact CD1-CB 3.88Å; L327-P345 HydrophobicContact CG-CB 4.03Å; L327-P345 HydrophobicContact CG-CG 4.49Å; P345-R350 CarbonylContact C-O 3.53Å; P345-R350 WeakPolarHBondContact CA-O 3.44Å
346D68.9Low70.7Confident43 Ų4360.6 Ų60.623%0.2332%0.323CS..PPolyproline II helixtrans-74.8171.6165.778.54.4000110.8T348 G349 R350 L352D346-T348 VanDerWaalsContact CG-OG1 3.3Å; D346-T348 PolarHBondContact O-N 3.26Å; D346-T348 VanDerWaalsContact OD1-C 3.26Å; D346-T348 VanDerWaalsContact OD1-CA 3.27Å; D346-T348 WeakPolarHBondContact OD1-CA 3.48Å; D346-T348 WeakPolarHBondContact OD1-CB 3.05Å; D346-T348 PolarHBondContact OD1-N 3.1Å; D346-T348 PolarHBondContact OD1-OG1 3.35Å; D346-T348 PolarHBondContact OD2-OG1 3.01Å; D346-G349 PolarHBondContact O-N 3.43Å; D346-G349 PolarHBondContact OD1-N 3.36Å; D346-R350 WeakPolarHBondContact CB-O 3.29Å; D346-R350 VanDerWaalsContact CG-O 3.27Å; D346-R350 PolarHBondContact N-O 2.87Å; D346-R350 PolarHBondContact OD1-N 3.32Å; D346-L352 HydrophobicContact CB-CB 4.42Å; D346-L352 HydrophobicContact CB-CD1 3.56Å
347P60Low71.1Confident139 Ų13959 Ų5990%0.90331%0.312SS*.THydrogen-bonded Turntrans-59.6-10.3179.8-23.133.6000114.8
348T59Low71.5Confident107 Ų10759.1 Ų59.166%0.65631%0.312SS*.THydrogen-bonded Turntrans-104.24176.571.30000113.4D346D346-T348 VanDerWaalsContact CG-OG1 3.3Å; D346-T348 PolarHBondContact O-N 3.26Å; D346-T348 VanDerWaalsContact OD1-C 3.26Å; D346-T348 VanDerWaalsContact OD1-CA 3.27Å; D346-T348 WeakPolarHBondContact OD1-CA 3.48Å; D346-T348 WeakPolarHBondContact OD1-CB 3.05Å; D346-T348 PolarHBondContact OD1-N 3.1Å; D346-T348 PolarHBondContact OD1-OG1 3.35Å; D346-T348 PolarHBondContact OD2-OG1 3.01Å
349G58.7Low71.8Confident47 Ų4758.2 Ų58.249%0.48531%0.309SS..SBendtrans81.214.7178.400000114.8D346D346-G349 PolarHBondContact O-N 3.43Å; D346-G349 PolarHBondContact OD1-N 3.36Å
350R63.8Low71.7Confident182 Ų18257.1 Ų57.169%0.68730%0.303SS*.SBendtrans-101.6153.6176.5-64.6-176.8177.7-168.41110.5P345 D346 L352P345-R350 CarbonylContact C-O 3.53Å; P345-R350 WeakPolarHBondContact CA-O 3.44Å; D346-R350 WeakPolarHBondContact CB-O 3.29Å; D346-R350 VanDerWaalsContact CG-O 3.27Å; D346-R350 PolarHBondContact N-O 2.87Å; D346-R350 PolarHBondContact OD1-N 3.32Å; R350-L352 PolarHBondContact O-N 3.46Å
351P65.3Low71.6Confident39 Ų3958 Ų5825%0.25331%0.308SS..BIsolated β-bridgetrans-61.4122.4-179.5-17.929.5000110.9L327 L343 D353 R354L327-P351 HydrophobicContact CD1-CG 4.04Å; L343-P351 HydrophobicContact CB-CB 4.21Å; L343-P351 HydrophobicContact CD1-CB 3.98Å; L343-P351 HydrophobicContact CD1-CG 4.21Å; P351-D353 VanDerWaalsContact C-N 3.31Å; P351-D353 PolarHBondContact O-N 3.34Å; P351-R354 HydrophobicContact CB-CG 4.03Å; P351-R354 HydrophobicContact CG-CG 4.46Å
352L62.4Low71.5Confident101 Ų10160 Ų6053%0.52932%0.322SS..SBendtrans-60.5-41.5-177.8-165.783.6000111.5E344 D346 R350E344-L352 WeakPolarHBondContact O-CB 3.33Å; E344-L352 PolarHBondContact O-N 2.98Å; D346-L352 HydrophobicContact CB-CB 4.42Å; D346-L352 HydrophobicContact CB-CD1 3.56Å; R350-L352 PolarHBondContact O-N 3.46Å
353D67.4Low71.1Confident76 Ų7663.3 Ų63.341%0.40634%0.338SS..  trans-149.9120.7173.8-176.1-8.5000109.6P351 S355 M356P351-D353 VanDerWaalsContact C-N 3.31Å; P351-D353 PolarHBondContact O-N 3.34Å; D353-S355 VanDerWaalsContact C-N 3.25Å; D353-S355 VanDerWaalsContact CG-OG 3.27Å; D353-S355 PolarHBondContact O-N 2.85Å; D353-S355 WeakPolarHBondContact OD1-CB 3.23Å; D353-S355 PolarHBondContact OD1-N 2.99Å; D353-S355 PolarHBondContact OD1-OG 3.14Å; D353-S355 PolarHBondContact OD2-OG 3.31Å; D353-M356 HydrophobicContact CB-CB 4.35Å; D353-M356 HydrophobicContact CB-CG 4.48Å; D353-M356 PolarHBondContact O-N 3.12Å; D353-M356 WeakPolarHBondContact OD2-CG 3.35Å
354R67.6Low70.9Confident192 Ų19266.9 Ų66.973%0.72535%0.354SS*.THydrogen-bonded Turntrans-78.1-9.7-178.8-69-178171.3-175.5-3.8113.6P351 C368P351-R354 HydrophobicContact CB-CG 4.03Å; P351-R354 HydrophobicContact CG-CG 4.46Å; R354-C368 PolarHBondContact O-SG 3.36Å
355S67Low70.9Confident45 Ų4570.5 Ų70.532%0.31537%0.365SS..THydrogen-bonded Turntrans-93.5-0.2177.273.30000113.2D353 C367 C368D353-S355 VanDerWaalsContact C-N 3.25Å; D353-S355 VanDerWaalsContact CG-OG 3.27Å; D353-S355 PolarHBondContact O-N 2.85Å; D353-S355 WeakPolarHBondContact OD1-CB 3.23Å; D353-S355 PolarHBondContact OD1-N 2.99Å; D353-S355 PolarHBondContact OD1-OG 3.14Å; D353-S355 PolarHBondContact OD2-OG 3.31Å; S355-C367 CarbonylContact O-C 3.59Å; S355-C367 WeakPolarHBondContact O-CA 3.42Å; S355-C367 PolarHBondContact O-SG 2.71Å; S355-C368 PolarHBondContact O-N 3.49Å; S355-C368 PolarHBondContact O-SG 3.42Å; S355-C368 VanDerWaalsContact O-SG 3.39Å
356M73.4Confident71.3Confident54 Ų5469.1 Ų69.127%0.26636%0.356SS..EExtended strand (participates in β ladder)trans-129113.7-178.5-66.6-63.9-60.800110.6L343 D353 R365 C367L343-M356 VanDerWaalsContact CD2-O 3.24Å; L343-M356 WeakPolarHBondContact CD2-O 3.35Å; D353-M356 HydrophobicContact CB-CB 4.35Å; D353-M356 HydrophobicContact CB-CG 4.48Å; D353-M356 PolarHBondContact O-N 3.12Å; D353-M356 WeakPolarHBondContact OD2-CG 3.35Å; M356-R365 HydrophobicContact CE-CB 3.78Å; M356-C367 HydrophobicContact CE-CB 4.42Å; M356-C367 WeakPolarHBondContact SD-CA 3.26Å; M356-C367 HydrophobicContact SD-CB 3.54Å; M356-C367 VanDerWaalsContact SD-CB 3.54Å; M356-C367 PolarHBondContact SD-SG 2.98Å
357A81.8Confident71.6Confident0 Ų070.6 Ų70.60%037%0.369CS..EExtended strand (participates in β ladder)trans-108.1143.9177.700000111.2W338 F341 L343 V366 L375W338-A357 HydrophobicContact CH2-CB 4.1Å; W338-A357 HydrophobicContact CZ3-CB 3.68Å; F341-A357 HydrophobicContact CB-CB 4.17Å; F341-A357 HydrophobicContact CD1-CB 4.35Å; L343-A357 HydrophobicContact CD2-CB 4.21Å; A357-V366 PolarHBondContact N-O 3.22Å; A357-V366 PolarHBondContact O-N 2.79Å; A357-L375 HydrophobicContact CB-CD2 4.02Å
358V79.5Confident72Confident10 Ų1064.5 Ų64.56%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-103.3127.2-178.7-173.70000109.5L326 F341 G342 M363 R365L326-V358 HydrophobicContact CD1-CB 3.8Å; L326-V358 HydrophobicContact CD1-CG1 3.86Å; L326-V358 HydrophobicContact CD2-CB 4.01Å; L326-V358 HydrophobicContact CD2-CG1 4.34Å; L326-V358 HydrophobicContact CD2-CG2 4.07Å; F341-V358 CarbonylContact C-O 3.55Å; F341-V358 VanDerWaalsContact CA-O 3.22Å; F341-V358 WeakPolarHBondContact CA-O 3.37Å; G342-V358 PolarHBondContact N-O 3.1Å; G342-V358 PolarHBondContact O-N 3.14Å; V358-M363 HydrophobicContact CG1-CE 4.46Å; V358-M363 WeakPolarHBondContact CG1-O 3.44Å; V358-M363 HydrophobicContact CG1-SD 4.44Å; V358-R365 HydrophobicContact CG2-CG 4.24Å
359C82.8Confident71.8Confident0 Ų062.6 Ų62.60%033%0.331CS..EExtended strand (participates in β ladder)trans-72.3129178.2-1740000111.1F340 F341 L361 C362 M363 E364F340-C359 CarbonylContact O-C 3.59Å; F341-C359 VanDerWaalsContact CD1-CA 3.42Å; F341-C359 HydrophobicContact CD1-CB 3.83Å; F341-C359 HydrophobicContact CE1-CB 3.5Å; F341-C359 VanDerWaalsContact CE1-CB 3.5Å; F341-C359 HydrophobicContact CZ-CB 4.23Å; C359-L361 VanDerWaalsContact C-N 3.26Å; C359-L361 PolarHBondContact O-N 3.22Å; C359-L361 PolarHBondContact SG-N 3.29Å; C359-C362 VanDerWaalsContact CB-SG 3.57Å; C359-M363 WeakPolarHBondContact O-CA 3.49Å; C359-M363 PolarHBondContact O-N 2.97Å; C359-E364 PolarHBondContact N-O 2.64Å
360K78Confident71.7Confident24 Ų2463.3 Ų63.310%0.10434%0.338CS..THydrogen-bonded Turntrans-74.9-12.5178.9-60.3179.1-179.6171.50113.6F319 L320 L326 Q339 F340 F341F319-K360 HydrophobicContact CB-CB 4.26Å; F319-K360 HydrophobicContact CD1-CB 3.46Å; F319-K360 VanDerWaalsContact CD1-CB 3.46Å; F319-K360 HydrophobicContact CD1-CD 4.45Å; F319-K360 HydrophobicContact CE1-CB 3.93Å; F319-K360 HydrophobicContact CE1-CD 4.4Å; F319-K360 HydrophobicContact CG-CB 3.93Å; F319-K360 HydrophobicContact CZ-CD 4.45Å; L320-K360 PolarHBondContact N-O 3.49Å; L326-K360 HydrophobicContact CD1-CG 4.44Å; Q339-K360 PolarHBondContact O-NZ 2.84Å; F340-K360 PolarHBondContact O-N 3.27Å; F341-K360 WeakPolarHBondContact O-CE 3.32Å
361L75.6Confident71.6Confident36 Ų3656.1 Ų56.119%0.18832%0.321CS..THydrogen-bonded Turntrans-95.2-27.8-179.5-62.9174.4000113.6F319 L320 F340 C359 L379 L385F319-L361 HydrophobicContact CD1-CD2 3.77Å; F319-L361 HydrophobicContact CD1-CG 4.37Å; F319-L361 HydrophobicContact CE1-CD2 4.05Å; F319-L361 HydrophobicContact CE1-CG 4.5Å; L320-L361 WeakPolarHBondContact CD1-O 3.4Å; L320-L361 WeakPolarHBondContact CG-O 3.33Å; F340-L361 HydrophobicContact CD1-CD1 3.75Å; F340-L361 HydrophobicContact CD1-CG 4.17Å; F340-L361 HydrophobicContact CE1-CD1 4.35Å; C359-L361 VanDerWaalsContact C-N 3.26Å; C359-L361 PolarHBondContact O-N 3.22Å; C359-L361 PolarHBondContact SG-N 3.29Å; L361-L379 HydrophobicContact CD1-CD2 4.37Å; L361-L385 HydrophobicContact CD1-CD1 4.16Å
362C77.6Confident71.6Confident43 Ų4356.5 Ų56.529%0.29133%0.327SS..THydrogen-bonded Turntrans-131-2.517962.90000114.7C359 E364 H378 H383C359-C362 VanDerWaalsContact CB-SG 3.57Å; C362-E364 PolarHBondContact O-N 3.04Å; C362-E364 VanDerWaalsContact O-N 3.1Å; C362-H378 PolarHBondContact SG-NE2 3.33Å; C362-H378 VanDerWaalsContact SG-NE2 3.4Å; C362-H383 PolarHBondContact SG-NE2 3.36Å; C362-H383 VanDerWaalsContact SG-NE2 3.43Å
363M73.3Confident72Confident69 Ų6955 Ų5534%0.3433%0.33SS..  trans59.213.1-177.4-61-62.6-74.300115.5L320 L326 V358 C359L320-M363 HydrophobicContact CB-CG 4.14Å; L320-M363 HydrophobicContact CD1-CG 4.09Å; L326-M363 HydrophobicContact CD1-CE 4.28Å; L326-M363 HydrophobicContact CD1-SD 4.32Å; V358-M363 HydrophobicContact CG1-CE 4.46Å; V358-M363 WeakPolarHBondContact CG1-O 3.44Å; V358-M363 HydrophobicContact CG1-SD 4.44Å; C359-M363 WeakPolarHBondContact O-CA 3.49Å; C359-M363 PolarHBondContact O-N 2.97Å
364E76.3Confident72.3Confident86 Ų8654.6 Ų54.640%0.40233%0.328SS..  trans-78.5140.6179-148.7171.5-161.200111C359 C362 H378 K382C359-E364 PolarHBondContact N-O 2.64Å; C362-E364 PolarHBondContact O-N 3.04Å; C362-E364 VanDerWaalsContact O-N 3.1Å; E364-H378 IonicContact OE2-CE1 3.52Å; E364-K382 VanDerWaalsContact CD-NZ 3.32Å; E364-K382 IonicContact OE1-NZ 2.65Å; E364-K382 PolarHBondContact OE1-NZ 3.38Å; E364-K382 VanDerWaalsContact OE1-NZ 3.08Å; E364-K382 WeakPolarHBondContact OE2-CE 3.29Å; E364-K382 IonicContact OE2-NZ 3.91Å; E364-K382 PolarHBondContact OE2-NZ 2.73Å
365R78Confident72.8Confident140 Ų14045.5 Ų45.553%0.52829%0.293SS..EExtended strand (participates in β ladder)trans-83122.3178.4-56.5-175.2-174.6-133.7-8.4109.9E344 M356 V358E344-R365 IonicContact OE1-CZ 2.95Å; E344-R365 IonicContact OE1-NH2 3.71Å; E344-R365 PolarHBondContact OE1-NH2 2.84Å; E344-R365 IonicContact OE2-CZ 3.3Å; E344-R365 IonicContact OE2-NH1 3.04Å; E344-R365 PolarHBondContact OE2-NH1 3.4Å; E344-R365 IonicContact OE2-NH2 2.71Å; E344-R365 PolarHBondContact OE2-NH2 3.2Å; M356-R365 HydrophobicContact CE-CB 3.78Å; V358-R365 HydrophobicContact CG2-CG 4.24Å
366V80.5Confident73.3Confident19 Ų1945.3 Ų45.312%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-116.2126.3-177.9-174.20000109.4F341 A357 C368 L375 H378F341-V366 HydrophobicContact CE1-CB 4.21Å; F341-V366 HydrophobicContact CE1-CG2 3.84Å; A357-V366 PolarHBondContact N-O 3.22Å; A357-V366 PolarHBondContact O-N 2.79Å; V366-C368 PolarHBondContact O-N 3.05Å; V366-L375 HydrophobicContact CB-CD2 4.1Å; V366-L375 HydrophobicContact CG1-CD2 3.88Å; V366-H378 HydrophobicContact CG1-CB 4.22Å; V366-H378 HydrophobicContact CG2-CB 4.26Å; V366-H378 WeakPolarHBondContact CG2-ND1 3.49Å
367C75.3Confident73.4Confident73 Ų7347 Ų4749%0.49330%0.297SS..EExtended strand (participates in β ladder)trans-72.8121.3176.9-156.90000109.5S355 M356S355-C367 CarbonylContact O-C 3.59Å; S355-C367 WeakPolarHBondContact O-CA 3.42Å; S355-C367 PolarHBondContact O-SG 2.71Å; M356-C367 HydrophobicContact CE-CB 4.42Å; M356-C367 WeakPolarHBondContact SD-CA 3.26Å; M356-C367 HydrophobicContact SD-CB 3.54Å; M356-C367 VanDerWaalsContact SD-CB 3.54Å; M356-C367 PolarHBondContact SD-SG 2.98Å
368C68.7Low73.3Confident12 Ų1248 Ų488%0.08130%0.302CS..  trans-107.719.1-178.661.20000112.9W338 R354 S355 V366 G370 G371 L375W338-C368 HydrophobicContact CH2-CB 4.07Å; W338-C368 HydrophobicContact CZ2-CB 4.36Å; R354-C368 PolarHBondContact O-SG 3.36Å; S355-C368 PolarHBondContact O-N 3.49Å; S355-C368 PolarHBondContact O-SG 3.42Å; S355-C368 VanDerWaalsContact O-SG 3.39Å; V366-C368 PolarHBondContact O-N 3.05Å; C368-G370 PolarHBondContact O-N 2.8Å; C368-G370 VanDerWaalsContact O-N 3.08Å; C368-G371 PolarHBondContact O-N 3.39Å; C368-L375 HydrophobicContact CB-CD1 4.36Å; C368-L375 HydrophobicContact CB-CD2 4.06Å; C368-L375 HydrophobicContact CB-CG 4.23Å
369G54.6Low73.1Confident67 Ų6747.7 Ų47.769%0.69130%0.3SS*.THydrogen-bonded Turntrans-57.4-18.5177.200000114.8
370G56.1Low72.8Confident61 Ų6149.3 Ų49.363%0.62931%0.31SS*.THydrogen-bonded Turntrans-100.93173.800000115.7C368 D374C368-G370 PolarHBondContact O-N 2.8Å; C368-G370 VanDerWaalsContact O-N 3.08Å; G370-D374 VanDerWaalsContact CA-OD2 3.24Å; G370-D374 WeakPolarHBondContact CA-OD2 3.44Å; G370-D374 PolarHBondContact N-OD2 2.93Å
371G63.1Low72.3Confident31 Ų3153.3 Ų53.332%0.3233%0.331SS..  trans94.9-164.4178.700000115C368 A373 D374C368-G371 PolarHBondContact O-N 3.39Å; G371-A373 PolarHBondContact O-N 2.81Å; G371-A373 VanDerWaalsContact O-N 3.14Å; G371-D374 PolarHBondContact O-N 3.42Å
372A64.6Low71.9Confident47 Ų4755.7 Ų55.739%0.38834%0.34SS..Hα-helixtrans-66.8-14.7-171.800000114.5Q376A372-Q376 WeakPolarHBondContact O-CB 3.4Å; A372-Q376 PolarHBondContact O-N 3.38Å
373A70.6Confident71.5Confident71 Ų7156.2 Ų56.259%0.58734%0.339SS*.Hα-helixtrans-66.8-39.817900000112.2G371 L375 Q376 N377G371-A373 PolarHBondContact O-N 2.81Å; G371-A373 VanDerWaalsContact O-N 3.14Å; A373-L375 VanDerWaalsContact C-N 3.34Å; A373-L375 PolarHBondContact O-N 3.33Å; A373-Q376 PolarHBondContact O-N 3.04Å; A373-N377 WeakPolarHBondContact O-CB 3.14Å; A373-N377 PolarHBondContact O-N 2.72Å
374D74.6Confident71Confident67 Ų6759.5 Ų59.536%0.35835%0.353SS..Hα-helixtrans-67.4-38.5179.2-64.2-41.2000111.4G370 G371 N377 H378G370-D374 VanDerWaalsContact CA-OD2 3.24Å; G370-D374 WeakPolarHBondContact CA-OD2 3.44Å; G370-D374 PolarHBondContact N-OD2 2.93Å; G371-D374 PolarHBondContact O-N 3.42Å; D374-N377 PolarHBondContact O-N 2.8Å; D374-H378 PolarHBondContact O-N 2.75Å
375L77.8Confident70.4Confident0 Ų058 Ų580%035%0.347CS..Hα-helixtrans-65.3-43.6174.4-58.9-178.7000111.4A337 W338 F341 A357 V366 C368 A373 N377 H378 L379A337-L375 HydrophobicContact CB-CB 4.25Å; W338-L375 HydrophobicContact CD2-CD1 3.58Å; W338-L375 VanDerWaalsContact CE2-CD1 3.43Å; W338-L375 HydrophobicContact CE3-CD1 3.71Å; W338-L375 HydrophobicContact CG-CD1 4.32Å; W338-L375 HydrophobicContact CH2-CD1 3.65Å; W338-L375 HydrophobicContact CZ2-CD1 3.48Å; W338-L375 VanDerWaalsContact CZ2-CD1 3.48Å; W338-L375 HydrophobicContact CZ3-CD1 3.75Å; F341-L375 HydrophobicContact CD1-CD2 3.86Å; F341-L375 HydrophobicContact CD2-CB 4.18Å; F341-L375 HydrophobicContact CD2-CD1 4.37Å; F341-L375 HydrophobicContact CD2-CD2 4.36Å; F341-L375 HydrophobicContact CE1-CD2 3.88Å; F341-L375 HydrophobicContact CE2-CB 3.83Å; F341-L375 HydrophobicContact CE2-CD2 4.37Å; F341-L375 HydrophobicContact CG-CD1 4.44Å; F341-L375 HydrophobicContact CG-CD2 4.12Å; F341-L375 HydrophobicContact CZ-CB 4.12Å; F341-L375 HydrophobicContact CZ-CD2 4.14Å; A357-L375 HydrophobicContact CB-CD2 4.02Å; V366-L375 HydrophobicContact CB-CD2 4.1Å; V366-L375 HydrophobicContact CG1-CD2 3.88Å; C368-L375 HydrophobicContact CB-CD1 4.36Å; C368-L375 HydrophobicContact CB-CD2 4.06Å; C368-L375 HydrophobicContact CB-CG 4.23Å; A373-L375 VanDerWaalsContact C-N 3.34Å; A373-L375 PolarHBondContact O-N 3.33Å; L375-N377 VanDerWaalsContact C-N 3.3Å; L375-N377 PolarHBondContact O-N 2.93Å; L375-H378 WeakPolarHBondContact O-CB 3.34Å; L375-H378 PolarHBondContact O-N 3.16Å; L375-L379 WeakPolarHBondContact O-CG 3.47Å; L375-L379 PolarHBondContact O-N 2.86Å
376Q78.5Confident69.5Low41 Ų4159.9 Ų59.919%0.19236%0.359CS..Hα-helixtrans-65.9-35.3176.4-171.563.947.800111.8A337 A372 A373 L379 T380 L385 P387A337-Q376 HydrophobicContact CB-CB 4.37Å; A372-Q376 WeakPolarHBondContact O-CB 3.4Å; A372-Q376 PolarHBondContact O-N 3.38Å; A373-Q376 PolarHBondContact O-N 3.04Å; Q376-L379 PolarHBondContact O-N 3.25Å; Q376-T380 WeakPolarHBondContact O-CB 3.43Å; Q376-T380 PolarHBondContact O-N 3.3Å; Q376-T380 PolarHBondContact O-OG1 2.92Å; Q376-L385 PolarHBondContact NE2-O 2.93Å; Q376-L385 VanDerWaalsContact NE2-O 3.11Å; Q376-P387 HydrophobicContact CG-CB 3.7Å; Q376-P387 HydrophobicContact CG-CG 3.7Å
377N75.1Confident68.2Low89 Ų8962.6 Ų62.648%0.47638%0.377SS..Hα-helixtrans-67.1-41.1176.4-154.421.5000110.8A373 D374 L375 T380 I381A373-N377 WeakPolarHBondContact O-CB 3.14Å; A373-N377 PolarHBondContact O-N 2.72Å; D374-N377 PolarHBondContact O-N 2.8Å; L375-N377 VanDerWaalsContact C-N 3.3Å; L375-N377 PolarHBondContact O-N 2.93Å; N377-T380 PolarHBondContact O-N 3.41Å; N377-I381 WeakPolarHBondContact O-CB 3.3Å; N377-I381 VanDerWaalsContact O-CG1 3.23Å; N377-I381 WeakPolarHBondContact O-CG1 3.24Å; N377-I381 PolarHBondContact O-N 3.2Å; N377-I381 WeakPolarHBondContact OD1-CD1 3.35Å
378H78.6Confident67.2Low23 Ų2368.7 Ų68.711%0.10639%0.39CS..Hα-helixtrans-58.2-48.5171175.693.9000111.7F341 C362 E364 V366 D374 L375 T380 I381 K382 H383F341-H378 AromaticContact CE1-CD2 3.91Å; F341-H378 HydrophobicContact CZ-CB 4.32Å; F341-H378 AromaticContact CZ-CD2 3.59Å; C362-H378 PolarHBondContact SG-NE2 3.33Å; C362-H378 VanDerWaalsContact SG-NE2 3.4Å; E364-H378 IonicContact OE2-CE1 3.52Å; V366-H378 HydrophobicContact CG1-CB 4.22Å; V366-H378 HydrophobicContact CG2-CB 4.26Å; V366-H378 WeakPolarHBondContact CG2-ND1 3.49Å; D374-H378 PolarHBondContact O-N 2.75Å; L375-H378 WeakPolarHBondContact O-CB 3.34Å; L375-H378 PolarHBondContact O-N 3.16Å; H378-T380 VanDerWaalsContact C-N 3.3Å; H378-T380 PolarHBondContact O-N 3.42Å; H378-I381 PolarHBondContact O-N 2.87Å; H378-K382 WeakPolarHBondContact O-CB 3.19Å; H378-K382 PolarHBondContact O-N 3Å; H378-H383 AromaticContact NE2-CD2 3.93Å; H378-H383 AromaticContact NE2-NE2 3.77Å
379L76.1Confident65.5Low2 Ų275.3 Ų75.31%0.0142%0.424CS..Hα-helixtrans-60.2-38.6176.7-69.1176.4000112.5A337 F340 F341 L361 L375 Q376 H383 H384 L385A337-L379 HydrophobicContact CB-CD1 4.23Å; F340-L379 HydrophobicContact CB-CD1 4.26Å; F340-L379 HydrophobicContact CB-CD2 3.88Å; F340-L379 HydrophobicContact CD2-CD1 3.79Å; F340-L379 HydrophobicContact CG-CD1 4.24Å; F340-L379 HydrophobicContact CG-CD2 4.16Å; F341-L379 HydrophobicContact CE2-CD1 3.83Å; F341-L379 HydrophobicContact CE2-CD2 3.81Å; F341-L379 HydrophobicContact CE2-CG 3.64Å; F341-L379 HydrophobicContact CZ-CD2 4.05Å; F341-L379 HydrophobicContact CZ-CG 3.98Å; L361-L379 HydrophobicContact CD1-CD2 4.37Å; L375-L379 WeakPolarHBondContact O-CG 3.47Å; L375-L379 PolarHBondContact O-N 2.86Å; Q376-L379 PolarHBondContact O-N 3.25Å; L379-H383 CarbonylContact O-C 3.56Å; L379-H383 VanDerWaalsContact O-C 3.22Å; L379-H383 WeakPolarHBondContact O-CA 3.36Å; L379-H383 WeakPolarHBondContact O-CB 3.34Å; L379-H383 PolarHBondContact O-N 3.01Å; L379-H383 VanDerWaalsContact O-N 3.1Å; L379-H384 PolarHBondContact O-N 3.11Å; L379-L385 CarbonylContact C-O 3.55Å; L379-L385 HydrophobicContact CB-CB 4.1Å; L379-L385 HydrophobicContact CD2-CD1 4.2Å; L379-L385 PolarHBondContact O-N 2.89Å
380T75.8Confident64.8Low35 Ų3579 Ų7922%0.21543%0.427CS..Hα-helixtrans-72.1-38.8-180-52.20000112Q376 N377 H378 H384 L385 K386 P387Q376-T380 WeakPolarHBondContact O-CB 3.43Å; Q376-T380 PolarHBondContact O-N 3.3Å; Q376-T380 PolarHBondContact O-OG1 2.92Å; N377-T380 PolarHBondContact O-N 3.41Å; H378-T380 VanDerWaalsContact C-N 3.3Å; H378-T380 PolarHBondContact O-N 3.42Å; T380-H384 VanDerWaalsContact O-CA 3.26Å; T380-H384 WeakPolarHBondContact O-CA 3.29Å; T380-H384 PolarHBondContact O-N 2.95Å; T380-L385 VanDerWaalsContact CA-O 3.31Å; T380-L385 WeakPolarHBondContact CA-O 3.46Å; T380-L385 PolarHBondContact N-O 3.07Å; T380-L385 PolarHBondContact OG1-O 2.76Å; T380-K386 HydrophobicContact CG2-CG 4.35Å; T380-P387 WeakPolarHBondContact OG1-CD 3.46Å
381I68.1Low63.6Low107 Ų10782.3 Ų82.355%0.54944%0.435SS..Hα-helixtrans-83.2-47.5-174.6-66.6169.5000111.2N377 H378N377-I381 WeakPolarHBondContact O-CB 3.3Å; N377-I381 VanDerWaalsContact O-CG1 3.23Å; N377-I381 WeakPolarHBondContact O-CG1 3.24Å; N377-I381 PolarHBondContact O-N 3.2Å; N377-I381 WeakPolarHBondContact OD1-CD1 3.35Å; H378-I381 PolarHBondContact O-N 2.87Å
382K67.6Low62.2Low86 Ų8690.4 Ų90.437%0.37446%0.461SS..Hα-helixtrans-90.5-29.5-173.9-76.2-110.1-176.8157.60113.7G74 E364 H378G74-K382 PolarHBondContact O-NZ 2.83Å; E364-K382 VanDerWaalsContact CD-NZ 3.32Å; E364-K382 IonicContact OE1-NZ 2.65Å; E364-K382 PolarHBondContact OE1-NZ 3.38Å; E364-K382 VanDerWaalsContact OE1-NZ 3.08Å; E364-K382 WeakPolarHBondContact OE2-CE 3.29Å; E364-K382 IonicContact OE2-NZ 3.91Å; E364-K382 PolarHBondContact OE2-NZ 2.73Å; H378-K382 WeakPolarHBondContact O-CB 3.19Å; H378-K382 PolarHBondContact O-N 3Å
383H69.1Low60.5Low55 Ų5595.2 Ų95.226%0.25548%0.481SS..SBendtrans-118.42.9-176.8-61.5-68.7000113.3C362 H378 L379 L385C362-H383 PolarHBondContact SG-NE2 3.36Å; C362-H383 VanDerWaalsContact SG-NE2 3.43Å; H378-H383 AromaticContact NE2-CD2 3.93Å; H378-H383 AromaticContact NE2-NE2 3.77Å; L379-H383 CarbonylContact O-C 3.56Å; L379-H383 VanDerWaalsContact O-C 3.22Å; L379-H383 WeakPolarHBondContact O-CA 3.36Å; L379-H383 WeakPolarHBondContact O-CB 3.34Å; L379-H383 PolarHBondContact O-N 3.01Å; L379-H383 VanDerWaalsContact O-N 3.1Å; H383-L385 HydrophobicContact CB-CD1 4.11Å; H383-L385 HydrophobicContact CB-CG 4.24Å; H383-L385 PolarHBondContact O-N 3.12Å; H383-L385 VanDerWaalsContact O-N 3.12Å
384H62Low58.6Low137 Ų137103.6 Ų103.663%0.63450%0.497SS*.  trans56.323.1-179-55-49.8000115.1L379 T380 K386L379-H384 PolarHBondContact O-N 3.11Å; T380-H384 VanDerWaalsContact O-CA 3.26Å; T380-H384 WeakPolarHBondContact O-CA 3.29Å; T380-H384 PolarHBondContact O-N 2.95Å; H384-K386 PolarHBondContact O-N 3.48Å
385L64.7Low56.5Low54 Ų54106.6 Ų106.628%0.28352%0.517SS..  trans-89.9100.7177.8-67.9170.8000110.4L361 Q376 L379 T380 H383L361-L385 HydrophobicContact CD1-CD1 4.16Å; Q376-L385 PolarHBondContact NE2-O 2.93Å; Q376-L385 VanDerWaalsContact NE2-O 3.11Å; L379-L385 CarbonylContact C-O 3.55Å; L379-L385 HydrophobicContact CB-CB 4.1Å; L379-L385 HydrophobicContact CD2-CD1 4.2Å; L379-L385 PolarHBondContact O-N 2.89Å; T380-L385 VanDerWaalsContact CA-O 3.31Å; T380-L385 WeakPolarHBondContact CA-O 3.46Å; T380-L385 PolarHBondContact N-O 3.07Å; T380-L385 PolarHBondContact OG1-O 2.76Å; H383-L385 HydrophobicContact CB-CD1 4.11Å; H383-L385 HydrophobicContact CB-CG 4.24Å; H383-L385 PolarHBondContact O-N 3.12Å; H383-L385 VanDerWaalsContact O-N 3.12Å
386K59.2Low54.1Low180 Ų180114.4 Ų114.478%0.78356%0.559SS**PPolyproline II helixtrans-72.5148.5-172.9-68.5-176.2179.21790113.9T380 H384T380-K386 HydrophobicContact CG2-CG 4.35Å; H384-K386 PolarHBondContact O-N 3.48Å
387P53.2Low51.8Low76 Ų76117.7 Ų117.749%0.49459%0.593SS.*PPolyproline II helixtrans-66.4143.3171.2-5.219.8000110.9Q376 T380Q376-P387 HydrophobicContact CG-CB 3.7Å; Q376-P387 HydrophobicContact CG-CG 3.7Å; T380-P387 WeakPolarHBondContact OG1-CD 3.46Å
388R52.4Low49.6Very low201 Ų201117.5 Ų117.576%0.75860%0.603SS**PPolyproline II helixtrans-89.9126.5166.8-111.8179169.5174.8-2.7109.2I390R388-I390 PolarHBondContact O-N 3.38Å
389D34.5Very low47.1Very low151 Ų151120 Ų12081%0.80764%0.636SS**PPolyproline II helixtrans-67.3124178.9-79.2-39.2000112
390I38.6Very low45.5Very low145 Ų145125.3 Ų125.374%0.74467%0.67SS**  trans-94.24.6-179-63.8172000112.1R388 K392R388-I390 PolarHBondContact O-N 3.38Å; I390-K392 VanDerWaalsContact C-N 3.32Å; I390-K392 PolarHBondContact O-N 2.9Å; I390-K392 VanDerWaalsContact O-N 3.11Å
391T31.3Very low43.3Very low131 Ų131134.4 Ų134.480%0.80470%0.7SS**THydrogen-bonded Turntrans-86.630.4-17042.30000116.3
392K33.6Very low41.7Very low200 Ų200137 Ų13787%0.8772%0.715SS**THydrogen-bonded Turntrans-119.3-1.5167.7-85.5-174.4175.9179.10116.2I390I390-K392 VanDerWaalsContact C-N 3.32Å; I390-K392 PolarHBondContact O-N 2.9Å; I390-K392 VanDerWaalsContact O-N 3.11Å
393D30Very low39.9Very low149 Ų149138.3 Ų138.380%0.79774%0.735SS**THydrogen-bonded Turntrans-105.960-176.1-73.1-22.9000113.9
394R29.1Very low38.1Very low246 Ų246144.8 Ų144.893%0.92877%0.765SS**THydrogen-bonded Turntrans-129.96.8165-89.6-165179.1-175.31.1116.5
395V31.2Very low36.6Very low130 Ų130147.9 Ų147.979%0.78878%0.777SS**SBendtrans-125.395.8165.3-175.80000106.5
396L27.7Very low34.9Very low165 Ų165151.7 Ų151.786%0.86480%0.797SS**  trans164.362.8155.7-86.1162.3000108.7A398L396-A398 PolarHBondContact O-N 3.18Å
397A30.1Very low33.6Very low110 Ų110147 Ų14791%0.90979%0.793SS**  trans-88.285.2159.200000108.2
398A28.6Very low32.6Very low85 Ų85152.3 Ų152.370%0.70281%0.808SS**SBendtrans171.5113.7153.700000108.3L396L396-A398 PolarHBondContact O-N 3.18Å
399G25.9Very low31.8Very low76 Ų76145.8 Ų145.878%0.78479%0.788SS**  trans-78.2-157.3-17800000114.2
400P44Very low32.4Very low113 Ų113143.1 Ų143.173%0.73478%0.781SS**  cis-134.6171-20.635.6-16.8000114.1
401R29Very low32.8Very low225 Ų225140.6 Ų140.685%0.84977%0.774SS**  trans112.5124.2146.6-63.2-177.2177.7-174.9-1.1119.5
402L34.6Very low33.7Very low162 Ų162138.3 Ų138.385%0.84876%0.757SS**  trans7089.3146.8-72.5153.6000118.7
403S30.2Very low35.1Very low114 Ų114131.2 Ų131.280%0.79773%0.73SS**  trans174.762.5139.9440000112.6F405S403-F405 PolarHBondContact O-N 2.82Å
404H31.1Very low37.1Very low190 Ų190125.7 Ų125.788%0.8871%0.708SS**  trans-94.483.1169.3-81.893.7000110.3
405F29.3Very low39.5Very low203 Ų203120.6 Ų120.689%0.8970%0.695SS**SBendtrans-150.211.1163.2-114-77.1000115.6S403S403-F405 PolarHBondContact O-N 2.82Å
406N29.9Very low42Very low133 Ų133115.3 Ų115.371%0.71166%0.663SS**  trans-115.45.5-175.5-86.3-4.7000116.4
407A30.8Very low44.7Very low83 Ų83108.1 Ų108.169%0.68663%0.626SS**THydrogen-bonded Turntrans-89.40.2-168.400000117
408F33.4Very low47.3Very low186 Ų186105.8 Ų105.882%0.81660%0.598SS**THydrogen-bonded Turntrans-103.42.7-178.2-88.8-85.5000115.4
409L34.6Very low50.2Low64 Ų64104.7 Ų104.734%0.33559%0.589SS.*  trans-98.2-5.9-173.6-78.9160.8000115.8T413L409-T413 PolarHBondContact O-N 3.22Å; L409-T413 PolarHBondContact O-OG1 3.07Å
410S47.8Very low53.2Low95 Ų95101.7 Ų101.766%0.66456%0.555SS**Hα-helixtrans-70.9-34.7-164.364.40000118.3
411P46.7Very low55.3Low93 Ų9396.3 Ų96.360%0.60452%0.52SS*.Hα-helixtrans-76.3-34.7-178.1-13.629.1000112.9G414 Q415P411-G414 PolarHBondContact O-N 2.75Å; P411-Q415 PolarHBondContact O-N 3.49Å
412L51.1Low58.2Low83 Ų8386.7 Ų86.744%0.43549%0.487SS..Hα-helixtrans-69.8-38.3-179.4-161.673.9000110.6G414 Q415 V416L412-G414 VanDerWaalsContact C-N 3.32Å; L412-G414 PolarHBondContact O-N 2.94Å; L412-Q415 PolarHBondContact O-N 2.9Å; L412-V416 VanDerWaalsContact O-CG2 3.26Å; L412-V416 WeakPolarHBondContact O-CG2 3.45Å; L412-V416 PolarHBondContact O-N 3.49Å; L412-V416 VanDerWaalsContact O-N 3.13Å
413T63.1Low60.8Low50 Ų5082.4 Ų82.431%0.30746%0.462SS..Hα-helixtrans-59-40.6174.4-55.20000111.9L409 V416 T417 Y450L409-T413 PolarHBondContact O-N 3.22Å; L409-T413 PolarHBondContact O-OG1 3.07Å; T413-V416 PolarHBondContact O-N 2.7Å; T413-T417 WeakPolarHBondContact O-CB 3.4Å; T413-T417 PolarHBondContact O-N 3.34Å; T413-T417 PolarHBondContact O-OG1 2.82Å; T413-Y450 HydrophobicContact CG2-CE2 4.02Å
414G72Confident63.7Low33 Ų3377 Ų7734%0.3442%0.424SS..Hα-helixtrans-64.5-42.7179.100000113.8P411 L412 T417 N418P411-G414 PolarHBondContact O-N 2.75Å; L412-G414 VanDerWaalsContact C-N 3.32Å; L412-G414 PolarHBondContact O-N 2.94Å; G414-T417 PolarHBondContact O-N 2.74Å; G414-N418 WeakPolarHBondContact O-CB 3.26Å; G414-N418 VanDerWaalsContact O-CG 3.3Å; G414-N418 PolarHBondContact O-N 2.81Å; G414-N418 PolarHBondContact O-OD1 3.46Å
415Q79.4Confident66.5Low140 Ų14068.2 Ų68.265%0.65438%0.383SS*.Hα-helixtrans-66.5-41.2177.8-68.4-178.5-1.300112P411 L412 N418 A419P411-Q415 PolarHBondContact O-N 3.49Å; L412-Q415 PolarHBondContact O-N 2.9Å; Q415-N418 PolarHBondContact O-N 3.41Å; Q415-A419 WeakPolarHBondContact O-CB 3.31Å; Q415-A419 PolarHBondContact O-N 2.76Å
416V83.6Confident69.3Low19 Ų1965.1 Ų65.112%0.11537%0.37CS..Hα-helixtrans-64.7-45.4176.9174.60000110.5L412 T413 N418 A419 I420 L443 L447 Y450L412-V416 VanDerWaalsContact O-CG2 3.26Å; L412-V416 WeakPolarHBondContact O-CG2 3.45Å; L412-V416 PolarHBondContact O-N 3.49Å; L412-V416 VanDerWaalsContact O-N 3.13Å; T413-V416 PolarHBondContact O-N 2.7Å; V416-N418 VanDerWaalsContact C-N 3.35Å; V416-N418 PolarHBondContact O-N 3.48Å; V416-A419 PolarHBondContact O-N 2.96Å; V416-I420 HydrophobicContact CG1-CD1 3.78Å; V416-I420 HydrophobicContact CG1-CG1 4.39Å; V416-I420 VanDerWaalsContact O-CG1 3.3Å; V416-I420 WeakPolarHBondContact O-CG1 3.43Å; V416-I420 PolarHBondContact O-N 3.48Å; V416-L443 HydrophobicContact CG1-CD1 4.28Å; V416-L447 HydrophobicContact CG1-CD1 4.22Å; V416-L447 HydrophobicContact CG2-CD1 3.55Å; V416-Y450 HydrophobicContact CB-CE2 4.4Å; V416-Y450 HydrophobicContact CG1-CD2 4.45Å; V416-Y450 HydrophobicContact CG1-CE2 4.07Å
417T84.1Confident72Confident14 Ų1462.1 Ų62.19%0.08635%0.353CS..Hα-helixtrans-59.2-43.7175.4-600000112T413 G414 A419 I420 T421 L454 I462T413-T417 WeakPolarHBondContact O-CB 3.4Å; T413-T417 PolarHBondContact O-N 3.34Å; T413-T417 PolarHBondContact O-OG1 2.82Å; G414-T417 PolarHBondContact O-N 2.74Å; T417-A419 VanDerWaalsContact C-N 3.35Å; T417-A419 PolarHBondContact O-N 3.35Å; T417-I420 PolarHBondContact O-N 2.76Å; T417-T421 WeakPolarHBondContact O-CB 3.42Å; T417-T421 PolarHBondContact O-N 2.74Å; T417-T421 PolarHBondContact O-OG1 3.18Å; T417-L454 HydrophobicContact CG2-CD1 4.04Å; T417-L454 HydrophobicContact CG2-CD2 3.94Å; T417-I462 HydrophobicContact CG2-CD1 3.52Å
418N85.1Confident74.8Confident61 Ų6158.3 Ų58.333%0.32632%0.321SS..Hα-helixtrans-65.3-38.3177.4-73.5-2.2000112.2G414 Q415 V416 T421 S422 T950G414-N418 WeakPolarHBondContact O-CB 3.26Å; G414-N418 VanDerWaalsContact O-CG 3.3Å; G414-N418 PolarHBondContact O-N 2.81Å; G414-N418 PolarHBondContact O-OD1 3.46Å; Q415-N418 PolarHBondContact O-N 3.41Å; V416-N418 VanDerWaalsContact C-N 3.35Å; V416-N418 PolarHBondContact O-N 3.48Å; N418-T421 PolarHBondContact O-N 3.24Å; N418-S422 VanDerWaalsContact O-CB 3.29Å; N418-S422 WeakPolarHBondContact O-CB 3.24Å; N418-S422 PolarHBondContact O-N 3.23Å; N418-T950 PolarHBondContact O-OG1 2.95Å
419A88Confident77.4Confident62 Ų6251.7 Ų51.751%0.51229%0.293SS..Hα-helixtrans-66.7-44.4176.200000111.8Q415 V416 T417 S422 F423Q415-A419 WeakPolarHBondContact O-CB 3.31Å; Q415-A419 PolarHBondContact O-N 2.76Å; V416-A419 PolarHBondContact O-N 2.96Å; T417-A419 VanDerWaalsContact C-N 3.35Å; T417-A419 PolarHBondContact O-N 3.35Å; A419-S422 PolarHBondContact O-N 3.19Å; A419-F423 WeakPolarHBondContact O-CB 3.36Å; A419-F423 PolarHBondContact O-N 3.27Å
420I89Confident79.9Confident13 Ų1349 Ų497%0.06728%0.28CS..Hα-helixtrans-61.7-46.2174.7-67.4169.8000110.1V416 T417 S422 F423 L424 V434 F439 L443 L454 L459V416-I420 HydrophobicContact CG1-CD1 3.78Å; V416-I420 HydrophobicContact CG1-CG1 4.39Å; V416-I420 VanDerWaalsContact O-CG1 3.3Å; V416-I420 WeakPolarHBondContact O-CG1 3.43Å; V416-I420 PolarHBondContact O-N 3.48Å; T417-I420 PolarHBondContact O-N 2.76Å; I420-S422 VanDerWaalsContact C-N 3.34Å; I420-S422 PolarHBondContact O-N 3.13Å; I420-F423 WeakPolarHBondContact O-CB 3.23Å; I420-F423 PolarHBondContact O-N 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 3.36Å; I420-V434 HydrophobicContact CG2-CG1 3.84Å; I420-F439 HydrophobicContact CD1-CE1 4.48Å; I420-F439 HydrophobicContact CD1-CZ 4.34Å; I420-F439 HydrophobicContact CG1-CZ 4.25Å; I420-F439 HydrophobicContact CG2-CZ 4.43Å; I420-L443 HydrophobicContact CD1-CD2 4.44Å; I420-L454 HydrophobicContact CD1-CD1 3.85Å; I420-L459 HydrophobicContact CG2-CD1 4.25Å; I420-L459 HydrophobicContact CG2-CD2 4.2Å
421T88.4Confident81.9Confident0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-61.3-43.7177.6-53.10000110.9T417 N418 F423 L424 I425 I462 L463 T950T417-T421 WeakPolarHBondContact O-CB 3.42Å; T417-T421 PolarHBondContact O-N 2.74Å; T417-T421 PolarHBondContact O-OG1 3.18Å; N418-T421 PolarHBondContact O-N 3.24Å; T421-F423 VanDerWaalsContact C-N 3.33Å; T421-F423 PolarHBondContact O-N 3Å; T421-L424 PolarHBondContact O-N 3.35Å; T421-I425 HydrophobicContact CG2-CD1 3.95Å; T421-I425 WeakPolarHBondContact O-CD1 3.17Å; T421-I425 VanDerWaalsContact O-CG1 3.29Å; T421-I425 WeakPolarHBondContact O-CG1 3.5Å; T421-I425 PolarHBondContact O-N 3.33Å; T421-I462 HydrophobicContact CG2-CG2 4.12Å; T421-L463 HydrophobicContact CG2-CD2 3.73Å; T421-L463 HydrophobicContact CG2-CG 4.31Å; T421-T950 HydrophobicContact CG2-CG2 4Å
422S89.6Confident83.8Confident22 Ų2243.1 Ų43.115%0.15424%0.238CC..Hα-helixtrans-62.4-39.8175.6-162.60000112.1N418 A419 I420 I425 K426N418-S422 VanDerWaalsContact O-CB 3.29Å; N418-S422 WeakPolarHBondContact O-CB 3.24Å; N418-S422 PolarHBondContact O-N 3.23Å; A419-S422 PolarHBondContact O-N 3.19Å; I420-S422 VanDerWaalsContact C-N 3.34Å; I420-S422 PolarHBondContact O-N 3.13Å; S422-I425 PolarHBondContact O-N 3.34Å; S422-K426 VanDerWaalsContact O-CB 3.27Å; S422-K426 WeakPolarHBondContact O-CB 3.42Å; S422-K426 VanDerWaalsContact O-CG 3.29Å; S422-K426 WeakPolarHBondContact O-CG 3.48Å; S422-K426 PolarHBondContact O-N 3.5Å; S422-K426 WeakPolarHBondContact OG-CE 3.27Å; S422-K426 PolarHBondContact OG-NZ 3.41Å
423F90.6Very high85.6Confident73 Ų7342.1 Ų42.132%0.3223%0.233SC..Hα-helixtrans-62-47.8174.7164.4-108.4000111.5A419 I420 T421 I425 K426 D427 Q429 L433 F439A419-F423 WeakPolarHBondContact O-CB 3.36Å; A419-F423 PolarHBondContact O-N 3.27Å; I420-F423 WeakPolarHBondContact O-CB 3.23Å; I420-F423 PolarHBondContact O-N 3.23Å; T421-F423 VanDerWaalsContact C-N 3.33Å; T421-F423 PolarHBondContact O-N 3Å; F423-I425 VanDerWaalsContact C-N 3.32Å; F423-I425 PolarHBondContact O-N 3.05Å; F423-K426 PolarHBondContact O-N 3.44Å; F423-D427 HydrophobicContact CD2-CB 4.28Å; F423-D427 WeakPolarHBondContact CD2-OD2 3.5Å; F423-D427 HydrophobicContact CE2-CB 4.17Å; F423-D427 WeakPolarHBondContact CE2-OD2 3.38Å; F423-D427 WeakPolarHBondContact O-CB 3.41Å; F423-D427 PolarHBondContact O-N 3.31Å; F423-Q429 HydrophobicContact CE1-CG 4.3Å; F423-Q429 HydrophobicContact CZ-CG 4.07Å; F423-L433 HydrophobicContact CE1-CD2 3.59Å; F423-L433 HydrophobicContact CZ-CD2 4.14Å; F423-F439 HydrophobicContact CE1-CE2 4.27Å
424L89.8Confident86.7Confident0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-59.7-43.2177.6-65.6-178.2000112.2I420 T421 L428 Q429 S430 L459I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 3.36Å; T421-L424 PolarHBondContact O-N 3.35Å; L424-L428 WeakPolarHBondContact O-CA 3.48Å; L424-L428 PolarHBondContact O-N 3.02Å; L424-L428 VanDerWaalsContact O-N 3.14Å; L424-Q429 HydrophobicContact CD2-CB 3.65Å; L424-Q429 PolarHBondContact O-N 3.06Å; L424-S430 WeakPolarHBondContact CD2-O 3.44Å; L424-L459 HydrophobicContact CD1-CD1 4.01Å; L424-L459 HydrophobicContact CD1-CD2 4.48Å
425I90.2Very high87.4Confident6 Ų642.4 Ų42.43%0.03122%0.222CC..Hα-helixtrans-66.5-56.4178.5-65.9163.1000110.5T421 S422 F423 D427 L428 L463 L943 H944 T950T421-I425 HydrophobicContact CG2-CD1 3.95Å; T421-I425 WeakPolarHBondContact O-CD1 3.17Å; T421-I425 VanDerWaalsContact O-CG1 3.29Å; T421-I425 WeakPolarHBondContact O-CG1 3.5Å; T421-I425 PolarHBondContact O-N 3.33Å; S422-I425 PolarHBondContact O-N 3.34Å; F423-I425 VanDerWaalsContact C-N 3.32Å; F423-I425 PolarHBondContact O-N 3.05Å; I425-D427 VanDerWaalsContact C-N 3.31Å; I425-D427 PolarHBondContact O-N 3.11Å; I425-L428 PolarHBondContact O-N 3.18Å; I425-L463 HydrophobicContact CD1-CD2 3.83Å; I425-L463 HydrophobicContact CG1-CD2 3.64Å; I425-L943 HydrophobicContact CD1-CB 4.05Å; I425-L943 HydrophobicContact CD1-CD1 3.73Å; I425-L943 HydrophobicContact CD1-CG 4.48Å; I425-L943 HydrophobicContact CG1-CB 4.21Å; I425-L943 HydrophobicContact CG1-CD1 4.24Å; I425-L943 HydrophobicContact CG2-CB 3.77Å; I425-H944 HydrophobicContact CG2-CB 4.07Å; I425-H944 PolarHBondContact O-ND1 2.97Å; I425-T950 HydrophobicContact CD1-CG2 3.58Å
426K87.7Confident87.8Confident138 Ų13837.3 Ų37.360%0.621%0.207SC*.Hα-helixtrans-65.1-34.8-173.7-73.4176176172.40112.8S422 F423 H944S422-K426 VanDerWaalsContact O-CB 3.27Å; S422-K426 WeakPolarHBondContact O-CB 3.42Å; S422-K426 VanDerWaalsContact O-CG 3.29Å; S422-K426 WeakPolarHBondContact O-CG 3.48Å; S422-K426 PolarHBondContact O-N 3.5Å; S422-K426 WeakPolarHBondContact OG-CE 3.27Å; S422-K426 PolarHBondContact OG-NZ 3.41Å; F423-K426 PolarHBondContact O-N 3.44Å; K426-H944 PolarHBondContact O-CE1 3.33Å; K426-H944 PolarHBondContact O-ND1 2.78Å
427D87.4Confident88Confident69 Ų6944.6 Ų44.637%0.36924%0.24SC..Hα-helixtrans-99.84.8-175.8-65.6-16.7000113.5F423 I425 Q429F423-D427 HydrophobicContact CD2-CB 4.28Å; F423-D427 WeakPolarHBondContact CD2-OD2 3.5Å; F423-D427 HydrophobicContact CE2-CB 4.17Å; F423-D427 WeakPolarHBondContact CE2-OD2 3.38Å; F423-D427 WeakPolarHBondContact O-CB 3.41Å; F423-D427 PolarHBondContact O-N 3.31Å; I425-D427 VanDerWaalsContact C-N 3.31Å; I425-D427 PolarHBondContact O-N 3.11Å; D427-Q429 HydrophobicContact CB-CG 3.87Å; D427-Q429 PolarHBondContact O-N 3.46Å; D427-Q429 PolarHBondContact O-NE2 3.31Å
428L88.6Confident88.2Confident3 Ų346.3 Ų46.32%0.01626%0.261CS..THydrogen-bonded Turntrans51.652.8-179.2-65176.6000111.5L424 I425 K928 I932 I940 L941 H944L424-L428 WeakPolarHBondContact O-CA 3.48Å; L424-L428 PolarHBondContact O-N 3.02Å; L424-L428 VanDerWaalsContact O-N 3.14Å; I425-L428 PolarHBondContact O-N 3.18Å; L428-K928 HydrophobicContact CB-CB 3.87Å; L428-K928 HydrophobicContact CB-CD 4.29Å; L428-K928 HydrophobicContact CD1-CB 4.23Å; L428-K928 HydrophobicContact CD1-CD 4.47Å; L428-I932 HydrophobicContact CB-CD1 4.1Å; L428-I932 HydrophobicContact CD2-CD1 4.19Å; L428-I940 HydrophobicContact CD2-CG2 3.86Å; L428-L941 HydrophobicContact CD2-CD2 3.85Å; L428-H944 HydrophobicContact CD2-CB 3.75Å; L428-H944 VanDerWaalsContact CD2-CG 3.48Å; L428-H944 WeakPolarHBondContact CD2-ND1 3.48Å
429Q88.6Confident88.5Confident48 Ų4845.2 Ų45.222%0.22425%0.253CS..  trans-102.7150-177.5-61-60.5-51.400112F423 L424 D427F423-Q429 HydrophobicContact CE1-CG 4.3Å; F423-Q429 HydrophobicContact CZ-CG 4.07Å; L424-Q429 HydrophobicContact CD2-CB 3.65Å; L424-Q429 PolarHBondContact O-N 3.06Å; D427-Q429 HydrophobicContact CB-CG 3.87Å; D427-Q429 PolarHBondContact O-N 3.46Å; D427-Q429 PolarHBondContact O-NE2 3.31Å
430S88.3Confident88.4Confident8 Ų846.5 Ų46.56%0.05625%0.247CC..  trans-63.2139.3173.2-1730000112.1L424 T432 L433 T931L424-S430 WeakPolarHBondContact CD2-O 3.44Å; S430-T432 WeakPolarHBondContact CB-OG1 3.37Å; S430-T432 PolarHBondContact O-N 3.2Å; S430-T432 PolarHBondContact OG-N 3.46Å; S430-T432 VanDerWaalsContact OG-N 3.1Å; S430-T432 PolarHBondContact OG-OG1 3.06Å; S430-L433 WeakPolarHBondContact O-CB 3.26Å; S430-L433 PolarHBondContact O-N 3.39Å; S430-T931 VanDerWaalsContact CB-O 3.24Å; S430-T931 WeakPolarHBondContact CB-O 3.35Å
431P88.2Confident88.3Confident0 Ų052.3 Ų52.30%027%0.274CS..G310 helixtrans-56.5-27.4165.4-24.735.4000113.4L433 V434 L459 Q460 L463 I940P431-L433 PolarHBondContact O-N 2.87Å; P431-V434 WeakPolarHBondContact O-CG2 3.42Å; P431-V434 PolarHBondContact O-N 3.49Å; P431-L459 HydrophobicContact CB-CB 4.45Å; P431-Q460 HydrophobicContact CB-CG 4.14Å; P431-Q460 HydrophobicContact CG-CG 4.14Å; P431-L463 HydrophobicContact CG-CD1 3.98Å; P431-I940 HydrophobicContact CG-CD1 4.21Å
432T87.6Confident88.4Confident64 Ų6456.9 Ų56.939%0.39330%0.298SS..G310 helixtrans-68.2-15.3177.263.10000113.4S430 V434 E435S430-T432 WeakPolarHBondContact CB-OG1 3.37Å; S430-T432 PolarHBondContact O-N 3.2Å; S430-T432 PolarHBondContact OG-N 3.46Å; S430-T432 VanDerWaalsContact OG-N 3.1Å; S430-T432 PolarHBondContact OG-OG1 3.06Å; T432-V434 PolarHBondContact O-N 2.95Å; T432-E435 WeakPolarHBondContact O-CB 3.23Å; T432-E435 PolarHBondContact O-N 3.04Å; T432-E435 VanDerWaalsContact O-N 3.1Å
433L88.1Confident88.3Confident61 Ų6157 Ų5732%0.31930%0.296SS..G310 helixtrans-59-34.4179.2-172.7110.2000112F423 S430 P431 E435 G436 F439F423-L433 HydrophobicContact CE1-CD2 3.59Å; F423-L433 HydrophobicContact CZ-CD2 4.14Å; S430-L433 WeakPolarHBondContact O-CB 3.26Å; S430-L433 PolarHBondContact O-N 3.39Å; P431-L433 PolarHBondContact O-N 2.87Å; L433-E435 PolarHBondContact O-N 2.83Å; L433-G436 PolarHBondContact O-N 2.8Å; L433-G436 VanDerWaalsContact O-N 3.12Å; L433-F439 HydrophobicContact CD2-CD2 3.95Å; L433-F439 HydrophobicContact CD2-CE2 4.28Å; L433-F439 WeakPolarHBondContact O-CB 3.38Å
434V86.5Confident88Confident2 Ų259.1 Ų59.11%0.01231%0.307CS..G310 helixtrans-69.7-17.5-178.3-50.90000113.1I420 P431 T432 G436 F439 L454 L459I420-V434 HydrophobicContact CG2-CG1 3.84Å; P431-V434 WeakPolarHBondContact O-CG2 3.42Å; P431-V434 PolarHBondContact O-N 3.49Å; T432-V434 PolarHBondContact O-N 2.95Å; V434-G436 VanDerWaalsContact C-N 3.34Å; V434-F439 HydrophobicContact CB-CD1 3.98Å; V434-F439 HydrophobicContact CB-CE1 3.84Å; V434-F439 HydrophobicContact CG1-CD1 4.33Å; V434-F439 HydrophobicContact CG1-CE1 3.84Å; V434-F439 HydrophobicContact CG1-CZ 4.09Å; V434-L454 WeakPolarHBondContact CG2-O 3.17Å; V434-L459 HydrophobicContact CB-CD1 4.05Å; V434-L459 HydrophobicContact CG1-CD1 3.5Å; V434-L459 VanDerWaalsContact CG1-CD1 3.5Å; V434-L459 HydrophobicContact CG2-CD1 3.45Å; V434-L459 VanDerWaalsContact CG2-CD1 3.45Å
435E86.3Confident87.9Confident88 Ų8863.9 Ų63.941%0.41134%0.337SS..G310 helixtrans-84.5-13.1177.8-60.1-177.2166.200112.2T432 L433 K440 S456T432-E435 WeakPolarHBondContact O-CB 3.23Å; T432-E435 PolarHBondContact O-N 3.04Å; T432-E435 VanDerWaalsContact O-N 3.1Å; L433-E435 PolarHBondContact O-N 2.83Å; E435-K440 VanDerWaalsContact O-CE 3.22Å; E435-K440 WeakPolarHBondContact O-CE 3.19Å; E435-K440 PolarHBondContact O-NZ 2.73Å; E435-S456 WeakPolarHBondContact OE1-CB 3.4Å; E435-S456 PolarHBondContact OE1-N 2.91Å
436G87.8Confident87.8Confident33 Ų3369.4 Ų69.434%0.3437%0.366SS..SBendtrans-65.6139.2178.500000112.9L433 V434 G438 F439 K440L433-G436 PolarHBondContact O-N 2.8Å; L433-G436 VanDerWaalsContact O-N 3.12Å; V434-G436 VanDerWaalsContact C-N 3.34Å; G436-G438 VanDerWaalsContact C-N 3.31Å; G436-G438 PolarHBondContact O-N 3.27Å; G436-F439 PolarHBondContact O-N 3.48Å; G436-F439 VanDerWaalsContact O-N 3.15Å; G436-K440 PolarHBondContact O-N 3.39Å
437E87.6Confident87.6Confident171 Ų17165.1 Ų65.180%0.79935%0.349SS*.Hα-helixtrans-58.2-40.8-177.1-62.9-172.4150.400112.7F439 K440 Q441E437-F439 PolarHBondContact O-N 3.3Å; E437-K440 PolarHBondContact O-N 3.01Å; E437-Q441 WeakPolarHBondContact O-CB 3.27Å; E437-Q441 PolarHBondContact O-N 3.05Å
438G90.1Very high87.1Confident51 Ų5166 Ų6653%0.52636%0.358SS..Hα-helixtrans-64.6-38.8177.700000113.5G436 Q441 L442G436-G438 VanDerWaalsContact C-N 3.31Å; G436-G438 PolarHBondContact O-N 3.27Å; G438-Q441 PolarHBondContact O-N 2.86Å; G438-L442 WeakPolarHBondContact O-CB 3.49Å; G438-L442 PolarHBondContact O-N 3.2Å
439F89.7Confident86.1Confident38 Ų3868.6 Ų68.617%0.16738%0.377CS..Hα-helixtrans-68.1-42.5176-174.9-89.4000111I420 F423 L433 V434 G436 E437 Q441 L442 L443I420-F439 HydrophobicContact CD1-CE1 4.48Å; I420-F439 HydrophobicContact CD1-CZ 4.34Å; I420-F439 HydrophobicContact CG1-CZ 4.25Å; I420-F439 HydrophobicContact CG2-CZ 4.43Å; F423-F439 HydrophobicContact CE1-CE2 4.27Å; L433-F439 HydrophobicContact CD2-CD2 3.95Å; L433-F439 HydrophobicContact CD2-CE2 4.28Å; L433-F439 WeakPolarHBondContact O-CB 3.38Å; V434-F439 HydrophobicContact CB-CD1 3.98Å; V434-F439 HydrophobicContact CB-CE1 3.84Å; V434-F439 HydrophobicContact CG1-CD1 4.33Å; V434-F439 HydrophobicContact CG1-CE1 3.84Å; V434-F439 HydrophobicContact CG1-CZ 4.09Å; G436-F439 PolarHBondContact O-N 3.48Å; G436-F439 VanDerWaalsContact O-N 3.15Å; E437-F439 PolarHBondContact O-N 3.3Å; F439-Q441 VanDerWaalsContact C-N 3.33Å; F439-Q441 PolarHBondContact O-N 2.85Å; F439-L442 WeakPolarHBondContact O-CB 2.96Å; F439-L442 PolarHBondContact O-N 2.99Å; F439-L443 HydrophobicContact CE1-CD2 4.47Å; F439-L443 WeakPolarHBondContact O-CB 3.14Å; F439-L443 PolarHBondContact O-N 3.43Å
440K86.9Confident85.4Confident88 Ų8867.7 Ų67.738%0.38337%0.371SS..Hα-helixtrans-59.6-43174-72.1170.1173.5161.70111.7E435 G436 E437 L443 H444 P453E435-K440 VanDerWaalsContact O-CE 3.22Å; E435-K440 WeakPolarHBondContact O-CE 3.19Å; E435-K440 PolarHBondContact O-NZ 2.73Å; G436-K440 PolarHBondContact O-N 3.39Å; E437-K440 PolarHBondContact O-N 3.01Å; K440-L443 PolarHBondContact O-N 3.43Å; K440-H444 VanDerWaalsContact O-CB 3.3Å; K440-H444 WeakPolarHBondContact O-CB 2.94Å; K440-H444 PolarHBondContact O-N 2.86Å; K440-P453 HydrophobicContact CG-CB 4.37Å
441Q87.6Confident84Confident136 Ų13676 Ų7664%0.63641%0.406SS*.Hα-helixtrans-64.1-43176.4-173.7179.55.500112E437 G438 F439 H444 T445E437-Q441 WeakPolarHBondContact O-CB 3.27Å; E437-Q441 PolarHBondContact O-N 3.05Å; G438-Q441 PolarHBondContact O-N 2.86Å; F439-Q441 VanDerWaalsContact C-N 3.33Å; F439-Q441 PolarHBondContact O-N 2.85Å; Q441-H444 PolarHBondContact O-N 2.76Å; Q441-T445 WeakPolarHBondContact O-CB 3.47Å; Q441-T445 PolarHBondContact O-N 3.09Å; Q441-T445 PolarHBondContact O-OG1 3.18Å
442L89.5Confident82.8Confident96 Ų9683.6 Ų83.650%0.50344%0.442SS..Hα-helixtrans-57.8-50.5174.2174.965.6000110.9G438 F439 H444 T445 L446G438-L442 WeakPolarHBondContact O-CB 3.49Å; G438-L442 PolarHBondContact O-N 3.2Å; F439-L442 WeakPolarHBondContact O-CB 2.96Å; F439-L442 PolarHBondContact O-N 2.99Å; L442-H444 PolarHBondContact O-N 3.33Å; L442-T445 PolarHBondContact O-N 3.1Å; L442-L446 HydrophobicContact CD1-CD1 3.85Å; L442-L446 HydrophobicContact CD1-CG 4.25Å; L442-L446 HydrophobicContact CG-CD1 4.09Å; L442-L446 WeakPolarHBondContact O-CG 3.44Å; L442-L446 PolarHBondContact O-N 2.82Å
443L87.4Confident81.8Confident23 Ų2383.1 Ų83.112%0.1244%0.44CS..Hα-helixtrans-64.7-41.1-178.4-16766.4000111.8V416 I420 F439 K440 T445 L446 L447 Y450V416-L443 HydrophobicContact CG1-CD1 4.28Å; I420-L443 HydrophobicContact CD1-CD2 4.44Å; F439-L443 HydrophobicContact CE1-CD2 4.47Å; F439-L443 WeakPolarHBondContact O-CB 3.14Å; F439-L443 PolarHBondContact O-N 3.43Å; K440-L443 PolarHBondContact O-N 3.43Å; L443-T445 VanDerWaalsContact C-N 3.29Å; L443-T445 PolarHBondContact O-N 2.9Å; L443-L446 PolarHBondContact O-N 3.46Å; L443-L447 HydrophobicContact CD1-CD1 4.25Å; L443-L447 CarbonylContact O-C 3.5Å; L443-L447 WeakPolarHBondContact O-CA 3.48Å; L443-L447 PolarHBondContact O-N 2.65Å; L443-Y450 HydrophobicContact CD2-CD1 3.45Å; L443-Y450 VanDerWaalsContact CD2-CD1 3.45Å; L443-Y450 HydrophobicContact CD2-CE1 3.59Å; L443-Y450 HydrophobicContact CD2-CG 4.32Å; L443-Y450 HydrophobicContact CG-CD1 4.12Å
444H84.3Confident81.2Confident119 Ų11981.2 Ų81.255%0.55143%0.43SS*.Hα-helixtrans-66.2-30.8175.8-172.6-75.5000112.6K440 Q441 L442 P448K440-H444 VanDerWaalsContact O-CB 3.3Å; K440-H444 WeakPolarHBondContact O-CB 2.94Å; K440-H444 PolarHBondContact O-N 2.86Å; Q441-H444 PolarHBondContact O-N 2.76Å; L442-H444 PolarHBondContact O-N 3.33Å; H444-P448 VanDerWaalsContact O-CA 3.29Å; H444-P448 WeakPolarHBondContact O-CA 3.18Å; H444-P448 WeakPolarHBondContact O-CG 3.5Å
445T87.4Confident81Confident100 Ų10083 Ų8361%0.61344%0.443SS*.Hα-helixtrans-72.5-43.6176.5-56.70000111.2Q441 L442 L443Q441-T445 WeakPolarHBondContact O-CB 3.47Å; Q441-T445 PolarHBondContact O-N 3.09Å; Q441-T445 PolarHBondContact O-OG1 3.18Å; L442-T445 PolarHBondContact O-N 3.1Å; L443-T445 VanDerWaalsContact C-N 3.29Å; L443-T445 PolarHBondContact O-N 2.9Å
446L87.4Confident81Confident122 Ų12279.2 Ų79.264%0.63943%0.426SS*.Hα-helixtrans-76.1-35.9179.8-65.7174.9000112.5L442 L443L442-L446 HydrophobicContact CD1-CD1 3.85Å; L442-L446 HydrophobicContact CD1-CG 4.25Å; L442-L446 HydrophobicContact CG-CD1 4.09Å; L442-L446 WeakPolarHBondContact O-CG 3.44Å; L442-L446 PolarHBondContact O-N 2.82Å; L443-L446 PolarHBondContact O-N 3.46Å
447L83.7Confident80.8Confident48 Ų4884.6 Ų84.625%0.25144%0.442SS..  trans-136.377.4-176.1-67.3170.7000110.9V416 L443 S449 Y450V416-L447 HydrophobicContact CG1-CD1 4.22Å; V416-L447 HydrophobicContact CG2-CD1 3.55Å; L443-L447 HydrophobicContact CD1-CD1 4.25Å; L443-L447 CarbonylContact O-C 3.5Å; L443-L447 WeakPolarHBondContact O-CA 3.48Å; L443-L447 PolarHBondContact O-N 2.65Å; L447-S449 PolarHBondContact O-N 3.36Å; L447-S449 VanDerWaalsContact O-N 3.08Å; L447-Y450 VanDerWaalsContact O-CB 3.29Å; L447-Y450 WeakPolarHBondContact O-CB 3.39Å; L447-Y450 PolarHBondContact O-N 2.68Å
448P77.3Confident80.7Confident86 Ų8681.1 Ų81.156%0.55843%0.426SS*.THydrogen-bonded Turntrans-60.8-22-178.5-23.133000114.4H444 Y450H444-P448 VanDerWaalsContact O-CA 3.29Å; H444-P448 WeakPolarHBondContact O-CA 3.18Å; H444-P448 WeakPolarHBondContact O-CG 3.5Å; P448-Y450 VanDerWaalsContact C-N 3.3Å
449S68.9Low80.5Confident58 Ų5878.7 Ų78.741%0.40640%0.401SS..THydrogen-bonded Turntrans-79.5-8.9176.755.40000113.8L447 K451L447-S449 PolarHBondContact O-N 3.36Å; L447-S449 VanDerWaalsContact O-N 3.08Å; S449-K451 PolarHBondContact O-N 2.63Å
450Y72.4Confident80.3Confident30 Ų3079.6 Ų79.612%0.11841%0.406CS..  trans-83.788.6-179.7-162.9-93.3000110.2T413 V416 L443 L447 P448 E452 L454T413-Y450 HydrophobicContact CG2-CE2 4.02Å; V416-Y450 HydrophobicContact CB-CE2 4.4Å; V416-Y450 HydrophobicContact CG1-CD2 4.45Å; V416-Y450 HydrophobicContact CG1-CE2 4.07Å; L443-Y450 HydrophobicContact CD2-CD1 3.45Å; L443-Y450 VanDerWaalsContact CD2-CD1 3.45Å; L443-Y450 HydrophobicContact CD2-CE1 3.59Å; L443-Y450 HydrophobicContact CD2-CG 4.32Å; L443-Y450 HydrophobicContact CG-CD1 4.12Å; L447-Y450 VanDerWaalsContact O-CB 3.29Å; L447-Y450 WeakPolarHBondContact O-CB 3.39Å; L447-Y450 PolarHBondContact O-N 2.68Å; P448-Y450 VanDerWaalsContact C-N 3.3Å; Y450-E452 WeakPolarHBondContact CE1-O 3.42Å; Y450-L454 WeakPolarHBondContact OH-CD1 3.47Å
451K58.8Low80.4Confident182 Ų18279.1 Ų79.179%0.79141%0.41SS*.  trans-81.3-20.9-169.5-70.7-174.6177.7-179.70115.3S449S449-K451 PolarHBondContact O-N 2.63Å
452E64.4Low80.4Confident159 Ų15974.5 Ų74.574%0.74339%0.39SS*.SBendtrans-124.8101.6-174.4-159164.9-157.500110Y450 L454Y450-E452 WeakPolarHBondContact CE1-O 3.42Å; E452-L454 PolarHBondContact O-N 3.09Å
453P66.6Low80.4Confident55 Ų5570 Ų7036%0.35737%0.366SS..PPolyproline II helixtrans-61.1136.6174.124.6-30.1000109.7K440 S455K440-P453 HydrophobicContact CG-CB 4.37Å; P453-S455 PolarHBondContact O-N 3.42Å
454L74.6Confident80.5Confident20 Ų2076.5 Ų76.511%0.10539%0.389CS..PPolyproline II helixtrans-55133.4172-76.6141.1000109T417 I420 V434 Y450 E452 Q458 L459 I462T417-L454 HydrophobicContact CG2-CD1 4.04Å; T417-L454 HydrophobicContact CG2-CD2 3.94Å; I420-L454 HydrophobicContact CD1-CD1 3.85Å; V434-L454 WeakPolarHBondContact CG2-O 3.17Å; Y450-L454 WeakPolarHBondContact OH-CD1 3.47Å; E452-L454 PolarHBondContact O-N 3.09Å; L454-Q458 HydrophobicContact CD2-CB 4.34Å; L454-L459 HydrophobicContact CB-CD1 4.1Å; L454-L459 HydrophobicContact CB-CG 4.07Å; L454-L459 HydrophobicContact CD1-CD2 4.26Å; L454-L459 HydrophobicContact CD2-CD2 4.47Å; L454-I462 HydrophobicContact CD2-CD1 4.32Å
455S83.1Confident80.6Confident40 Ų4075.2 Ų75.228%0.2839%0.386SS..PPolyproline II helixtrans-75.9154.8171.376.40000110.5P453 Q457 Q458 L459P453-S455 PolarHBondContact O-N 3.42Å; S455-Q457 PolarHBondContact O-N 3.38Å; S455-Q458 PolarHBondContact O-N 2.58Å; S455-Q458 VanDerWaalsContact O-N 3.13Å; S455-Q458 WeakPolarHBondContact OG-CG 3.07Å; S455-Q458 PolarHBondContact OG-N 3.11Å; S455-Q458 VanDerWaalsContact OG-N 3.16Å; S455-L459 PolarHBondContact O-N 3.37Å; S455-L459 VanDerWaalsContact O-N 3.15Å
456S85.1Confident80.6Confident8 Ų872.4 Ų72.46%0.05637%0.366CS..Hα-helixtrans-55.8-38173.8-179.80000111.2E435 L459 Q460E435-S456 WeakPolarHBondContact OE1-CB 3.4Å; E435-S456 PolarHBondContact OE1-N 2.91Å; S456-L459 PolarHBondContact O-N 3.39Å; S456-Q460 VanDerWaalsContact O-CG 3.26Å; S456-Q460 WeakPolarHBondContact O-CG 3.28Å; S456-Q460 PolarHBondContact O-N 3.22Å
457Q84.2Confident80.8Confident147 Ų14768 Ų6869%0.68734%0.341SS*.Hα-helixtrans-65.5-38.6178.1-69.4-174.9-11.500113.3S455 Q460 T461S455-Q457 PolarHBondContact O-N 3.38Å; Q457-Q460 PolarHBondContact O-N 3.41Å; Q457-T461 PolarHBondContact O-N 3.08Å; Q457-T461 VanDerWaalsContact O-N 3.08Å; Q457-T461 PolarHBondContact O-OG1 2.84Å
458Q84.7Confident81.1Confident98 Ų9868.8 Ų68.846%0.45835%0.345SS..Hα-helixtrans-64.6-43.7176.3-75.4171.1-34.200110.6L454 S455 T461 I462L454-Q458 HydrophobicContact CD2-CB 4.34Å; S455-Q458 PolarHBondContact O-N 2.58Å; S455-Q458 VanDerWaalsContact O-N 3.13Å; S455-Q458 WeakPolarHBondContact OG-CG 3.07Å; S455-Q458 PolarHBondContact OG-N 3.11Å; S455-Q458 VanDerWaalsContact OG-N 3.16Å; Q458-T461 WeakPolarHBondContact O-CB 3.48Å; Q458-T461 PolarHBondContact O-N 2.94Å; Q458-I462 WeakPolarHBondContact O-CG1 3.01Å; Q458-I462 PolarHBondContact O-N 2.92Å
459L85.8Confident81.5Confident0 Ų071.3 Ų71.30%035%0.347CS..Hα-helixtrans-66.1-39.3177.5-75.4167.4000112.7I420 L424 P431 V434 L454 S455 S456 T461 I462 L463I420-L459 HydrophobicContact CG2-CD1 4.25Å; I420-L459 HydrophobicContact CG2-CD2 4.2Å; L424-L459 HydrophobicContact CD1-CD1 4.01Å; L424-L459 HydrophobicContact CD1-CD2 4.48Å; P431-L459 HydrophobicContact CB-CB 4.45Å; V434-L459 HydrophobicContact CB-CD1 4.05Å; V434-L459 HydrophobicContact CG1-CD1 3.5Å; V434-L459 VanDerWaalsContact CG1-CD1 3.5Å; V434-L459 HydrophobicContact CG2-CD1 3.45Å; V434-L459 VanDerWaalsContact CG2-CD1 3.45Å; L454-L459 HydrophobicContact CB-CD1 4.1Å; L454-L459 HydrophobicContact CB-CG 4.07Å; L454-L459 HydrophobicContact CD1-CD2 4.26Å; L454-L459 HydrophobicContact CD2-CD2 4.47Å; S455-L459 PolarHBondContact O-N 3.37Å; S455-L459 VanDerWaalsContact O-N 3.15Å; S456-L459 PolarHBondContact O-N 3.39Å; L459-T461 VanDerWaalsContact C-N 3.29Å; L459-T461 PolarHBondContact O-N 2.65Å; L459-I462 PolarHBondContact O-N 2.63Å; L459-L463 WeakPolarHBondContact O-CB 3.32Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.4Å
460Q86.9Confident82.4Confident57 Ų5768.9 Ų68.927%0.26633%0.331SS..Hα-helixtrans-59-42.5173.5-75.1177.9-13.200111.9P431 S456 Q457 L463 R464 S936P431-Q460 HydrophobicContact CB-CG 4.14Å; P431-Q460 HydrophobicContact CG-CG 4.14Å; S456-Q460 VanDerWaalsContact O-CG 3.26Å; S456-Q460 WeakPolarHBondContact O-CG 3.28Å; S456-Q460 PolarHBondContact O-N 3.22Å; Q457-Q460 PolarHBondContact O-N 3.41Å; Q460-L463 PolarHBondContact O-N 2.99Å; Q460-R464 WeakPolarHBondContact O-CB 3.28Å; Q460-R464 PolarHBondContact O-N 2.8Å; Q460-S936 WeakPolarHBondContact CG-OG 3.36Å; Q460-S936 PolarHBondContact NE2-OG 2.98Å
461T87.7Confident83.1Confident78 Ų7869.8 Ų69.848%0.47934%0.335SS..Hα-helixtrans-61.6-47.6176-53.20000111Q457 Q458 L459 L463 R464 D465Q457-T461 PolarHBondContact O-N 3.08Å; Q457-T461 VanDerWaalsContact O-N 3.08Å; Q457-T461 PolarHBondContact O-OG1 2.84Å; Q458-T461 WeakPolarHBondContact O-CB 3.48Å; Q458-T461 PolarHBondContact O-N 2.94Å; L459-T461 VanDerWaalsContact C-N 3.29Å; L459-T461 PolarHBondContact O-N 2.65Å; T461-L463 PolarHBondContact O-N 3.35Å; T461-R464 WeakPolarHBondContact O-CB 3.44Å; T461-R464 PolarHBondContact O-N 2.87Å; T461-D465 PolarHBondContact O-N 3.26Å
462I88.2Confident84.3Confident39 Ų3965.3 Ų65.320%0.232%0.319CS..Hα-helixtrans-60.8-46.5178.3-67.4163.3000111.1T417 T421 L454 Q458 L459 R464 D465 H466T417-I462 HydrophobicContact CG2-CD1 3.52Å; T421-I462 HydrophobicContact CG2-CG2 4.12Å; L454-I462 HydrophobicContact CD2-CD1 4.32Å; Q458-I462 WeakPolarHBondContact O-CG1 3.01Å; Q458-I462 PolarHBondContact O-N 2.92Å; L459-I462 PolarHBondContact O-N 2.63Å; I462-R464 VanDerWaalsContact C-N 3.28Å; I462-R464 PolarHBondContact O-N 3.48Å; I462-D465 PolarHBondContact O-N 2.79Å; I462-H466 PolarHBondContact O-CD2 3.31Å; I462-H466 VanDerWaalsContact O-CD2 3.27Å; I462-H466 PolarHBondContact O-N 2.78Å
463L89.5Confident85.1Confident2 Ų261.6 Ų61.61%0.0130%0.304CS..Hα-helixtrans-58.6-41.8177.1-74.9167.3000111.5T421 I425 P431 L459 Q460 T461 H466 Y467 I940 L943T421-L463 HydrophobicContact CG2-CD2 3.73Å; T421-L463 HydrophobicContact CG2-CG 4.31Å; I425-L463 HydrophobicContact CD1-CD2 3.83Å; I425-L463 HydrophobicContact CG1-CD2 3.64Å; P431-L463 HydrophobicContact CG-CD1 3.98Å; L459-L463 WeakPolarHBondContact O-CB 3.32Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.4Å; Q460-L463 PolarHBondContact O-N 2.99Å; T461-L463 PolarHBondContact O-N 3.35Å; L463-H466 PolarHBondContact O-N 3.01Å; L463-Y467 WeakPolarHBondContact O-CB 3.22Å; L463-Y467 PolarHBondContact O-N 3.49Å; L463-I940 HydrophobicContact CD1-CD1 4Å; L463-I940 HydrophobicContact CD1-CG1 3.93Å; L463-I940 HydrophobicContact CD2-CG1 4.25Å; L463-L943 HydrophobicContact CD2-CD1 4.24Å
464R89.3Confident85.6Confident159 Ų15960.2 Ų60.260%0.629%0.293SS*.Hα-helixtrans-64.6-42.5177.3-162177.499.5116.30.9112.1Q460 T461 I462 Y467 I468Q460-R464 WeakPolarHBondContact O-CB 3.28Å; Q460-R464 PolarHBondContact O-N 2.8Å; T461-R464 WeakPolarHBondContact O-CB 3.44Å; T461-R464 PolarHBondContact O-N 2.87Å; I462-R464 VanDerWaalsContact C-N 3.28Å; I462-R464 PolarHBondContact O-N 3.48Å; R464-Y467 WeakPolarHBondContact O-CB 3.26Å; R464-Y467 PolarHBondContact O-N 3.5Å; R464-I468 HydrophobicContact CG-CD1 4.18Å; R464-I468 VanDerWaalsContact O-CG1 3.31Å; R464-I468 WeakPolarHBondContact O-CG1 3.42Å; R464-I468 PolarHBondContact O-N 3.49Å
465D87.8Confident85.5Confident91 Ų9162.4 Ų62.449%0.48731%0.307SS..Hα-helixtrans-65.3-42.4177.9-69.9-14.5000111.5T461 I462 I468 K469T461-D465 PolarHBondContact O-N 3.26Å; I462-D465 PolarHBondContact O-N 2.79Å; D465-I468 PolarHBondContact O-N 3.42Å; D465-K469 WeakPolarHBondContact O-CB 3.2Å; D465-K469 PolarHBondContact O-N 3.16Å
466H87.1Confident84.3Confident41 Ų4167.2 Ų67.219%0.1933%0.325CS..Hα-helixtrans-61.6-43.5173.2-86.9-85.3000111.9I462 L463 K469 A470 L943I462-H466 PolarHBondContact O-CD2 3.31Å; I462-H466 VanDerWaalsContact O-CD2 3.27Å; I462-H466 PolarHBondContact O-N 2.78Å; L463-H466 PolarHBondContact O-N 3.01Å; H466-K469 PolarHBondContact O-N 3.05Å; H466-A470 VanDerWaalsContact O-CB 3.27Å; H466-A470 WeakPolarHBondContact O-CB 3.45Å; H466-A470 PolarHBondContact O-N 3.47Å; H466-L943 HydrophobicContact CB-CD1 4Å; H466-L943 HydrophobicContact CB-CD2 4.38Å
467Y90.4Very high82.8Confident29 Ų2972.8 Ų72.811%0.11435%0.354CS..Hα-helixtrans-59-51.1175.5168.7-95.3000111.7L463 R464 K469 A470 K471 D938 A939 F942L463-Y467 WeakPolarHBondContact O-CB 3.22Å; L463-Y467 PolarHBondContact O-N 3.49Å; R464-Y467 WeakPolarHBondContact O-CB 3.26Å; R464-Y467 PolarHBondContact O-N 3.5Å; Y467-K469 PolarHBondContact O-N 3.08Å; Y467-A470 PolarHBondContact O-N 3.27Å; Y467-K471 HydrophobicContact CE1-CD 4.21Å; Y467-K471 WeakPolarHBondContact O-CB 3.48Å; Y467-K471 PolarHBondContact O-N 3.01Å; Y467-D938 VanDerWaalsContact CZ-OD2 3.26Å; Y467-D938 PolarHBondContact OH-OD2 3.18Å; Y467-A939 HydrophobicContact CD2-CB 4.27Å; Y467-A939 HydrophobicContact CG-CB 4.16Å; Y467-F942 HydrophobicContact CD2-CB 3.74Å; Y467-F942 AromaticContact CD2-CD1 3.45Å; Y467-F942 HydrophobicContact CD2-CD1 3.45Å; Y467-F942 VanDerWaalsContact CD2-CD1 3.45Å; Y467-F942 HydrophobicContact CD2-CD2 4.48Å; Y467-F942 HydrophobicContact CD2-CE1 4.18Å; Y467-F942 AromaticContact CD2-CG 3.63Å; Y467-F942 HydrophobicContact CD2-CG 3.63Å; Y467-F942 HydrophobicContact CE2-CB 3.69Å; Y467-F942 AromaticContact CE2-CD1 3.83Å; Y467-F942 HydrophobicContact CE2-CD1 3.83Å; Y467-F942 HydrophobicContact CE2-CD2 4.02Å; Y467-F942 HydrophobicContact CE2-CE1 4.47Å; Y467-F942 AromaticContact CE2-CG 3.56Å; Y467-F942 HydrophobicContact CE2-CG 3.56Å
468I89.6Confident81.6Confident66 Ų6667.3 Ų67.334%0.33833%0.327SS..Hα-helixtrans-60.6-47.3180-68.4166.3000110.6R464 D465 A470 K471 I472R464-I468 HydrophobicContact CG-CD1 4.18Å; R464-I468 VanDerWaalsContact O-CG1 3.31Å; R464-I468 WeakPolarHBondContact O-CG1 3.42Å; R464-I468 PolarHBondContact O-N 3.49Å; D465-I468 PolarHBondContact O-N 3.42Å; I468-A470 VanDerWaalsContact C-N 3.31Å; I468-A470 PolarHBondContact O-N 3.48Å; I468-K471 PolarHBondContact O-N 3.43Å; I468-I472 HydrophobicContact CG2-CD1 3.87Å; I468-I472 WeakPolarHBondContact O-CG1 3.36Å; I468-I472 PolarHBondContact O-N 3.3Å
469K87.6Confident79.9Confident139 Ų13967.3 Ų67.360%0.60434%0.343SS*.Hα-helixtrans-60.1-43.3179.2-174.2-180-179.4-175.60111.6D465 H466 Y467 N473D465-K469 WeakPolarHBondContact O-CB 3.2Å; D465-K469 PolarHBondContact O-N 3.16Å; H466-K469 PolarHBondContact O-N 3.05Å; Y467-K469 PolarHBondContact O-N 3.08Å; K469-N473 VanDerWaalsContact O-CG 3.32Å; K469-N473 PolarHBondContact O-N 3.12Å; K469-N473 VanDerWaalsContact O-N 3.17Å
470A87.4Confident78.1Confident7 Ų770.8 Ų70.86%0.05837%0.372CS..Hα-helixtrans-69-41.6178.300000112.8H466 Y467 I468 I472 N473 M474 F942 L943 I948H466-A470 VanDerWaalsContact O-CB 3.27Å; H466-A470 WeakPolarHBondContact O-CB 3.45Å; H466-A470 PolarHBondContact O-N 3.47Å; Y467-A470 PolarHBondContact O-N 3.27Å; I468-A470 VanDerWaalsContact C-N 3.31Å; I468-A470 PolarHBondContact O-N 3.48Å; A470-I472 VanDerWaalsContact C-N 3.33Å; A470-I472 PolarHBondContact O-N 2.66Å; A470-N473 PolarHBondContact O-N 3.32Å; A470-M474 WeakPolarHBondContact O-CG 3.37Å; A470-M474 PolarHBondContact O-N 3.24Å; A470-F942 HydrophobicContact CB-CE1 3.85Å; A470-L943 HydrophobicContact CB-CD2 4.19Å; A470-I948 HydrophobicContact CB-CD1 3.53Å; A470-I948 HydrophobicContact CB-CG1 4.38Å; A470-I948 HydrophobicContact CB-CG2 4.15Å
471K86.9Confident76.7Confident48 Ų4869.3 Ų69.321%0.20937%0.368CS..Hα-helixtrans-56.4-46.8174.6-179.4163.8-173.3175.60111Y467 I468 N473 M474 V475 E550 W551 F942Y467-K471 HydrophobicContact CE1-CD 4.21Å; Y467-K471 WeakPolarHBondContact O-CB 3.48Å; Y467-K471 PolarHBondContact O-N 3.01Å; I468-K471 PolarHBondContact O-N 3.43Å; K471-N473 PolarHBondContact O-N 3.24Å; K471-M474 PolarHBondContact O-N 2.95Å; K471-V475 VanDerWaalsContact O-CG2 3.32Å; K471-V475 WeakPolarHBondContact O-CG2 3.48Å; K471-V475 PolarHBondContact O-N 3.46Å; K471-E550 IonicContact NZ-OE2 3.96Å; K471-W551 HydrophobicContact CB-CH2 4.22Å; K471-W551 HydrophobicContact CD-CH2 4.08Å; K471-W551 HydrophobicContact CD-CZ2 3.85Å; K471-W551 HydrophobicContact CG-CH2 3.59Å; K471-W551 HydrophobicContact CG-CZ2 3.91Å; K471-W551 HydrophobicContact CG-CZ3 4.2Å; K471-F942 HydrophobicContact CB-CZ 4.49Å
472I83.7Confident75.7Confident89 Ų8971.9 Ų71.946%0.45637%0.374SS..Hα-helixtrans-60.4-46.9177.1-67.4166.5000111.6I468 A470 M474 V475 Q476I468-I472 HydrophobicContact CG2-CD1 3.87Å; I468-I472 WeakPolarHBondContact O-CG1 3.36Å; I468-I472 PolarHBondContact O-N 3.3Å; A470-I472 VanDerWaalsContact C-N 3.33Å; A470-I472 PolarHBondContact O-N 2.66Å; I472-M474 VanDerWaalsContact C-N 3.31Å; I472-M474 PolarHBondContact O-N 2.9Å; I472-V475 PolarHBondContact O-N 3.43Å; I472-Q476 PolarHBondContact O-N 3Å
473N80.4Confident75.3Confident80 Ų8070.6 Ų70.643%0.42837%0.367SS..Hα-helixtrans-62.2-38.5178.9-70.8-13.1000112.2K469 A470 K471 Q476 L477K469-N473 VanDerWaalsContact O-CG 3.32Å; K469-N473 PolarHBondContact O-N 3.12Å; K469-N473 VanDerWaalsContact O-N 3.17Å; A470-N473 PolarHBondContact O-N 3.32Å; K471-N473 PolarHBondContact O-N 3.24Å; N473-Q476 PolarHBondContact O-N 3Å; N473-L477 WeakPolarHBondContact O-CD1 3.45Å; N473-L477 PolarHBondContact O-N 2.75Å
474M78.4Confident75.1Confident26 Ų2671.3 Ų71.313%0.12837%0.372CS..Hα-helixtrans-72-35.7179.4-74.4-172135.500113.2A470 K471 I472 Q476 L477 R478 L520 W551 F942 N946A470-M474 WeakPolarHBondContact O-CG 3.37Å; A470-M474 PolarHBondContact O-N 3.24Å; K471-M474 PolarHBondContact O-N 2.95Å; I472-M474 VanDerWaalsContact C-N 3.31Å; I472-M474 PolarHBondContact O-N 2.9Å; M474-Q476 VanDerWaalsContact C-N 3.29Å; M474-Q476 PolarHBondContact O-N 3.46Å; M474-L477 PolarHBondContact O-N 2.92Å; M474-R478 PolarHBondContact O-N 2.8Å; M474-L520 HydrophobicContact CE-CD1 4.11Å; M474-L520 HydrophobicContact CE-CD2 3.66Å; M474-L520 HydrophobicContact CE-CG 4.35Å; M474-W551 HydrophobicContact CB-CZ3 4.26Å; M474-F942 HydrophobicContact SD-CE1 4.33Å; M474-F942 HydrophobicContact SD-CE2 4.16Å; M474-F942 HydrophobicContact SD-CZ 3.53Å; M474-F942 VanDerWaalsContact SD-CZ 3.53Å; M474-N946 HydrophobicContact CE-CB 3.85Å
475V71.5Confident75.1Confident67 Ų6763.8 Ų63.841%0.40634%0.344SS..Hα-helixtrans-63.5-37.4173.6171.40000110.8K471 I472 R478 W551K471-V475 VanDerWaalsContact O-CG2 3.32Å; K471-V475 WeakPolarHBondContact O-CG2 3.48Å; K471-V475 PolarHBondContact O-N 3.46Å; I472-V475 PolarHBondContact O-N 3.43Å; V475-R478 PolarHBondContact O-N 3.03Å; V475-W551 HydrophobicContact CG2-CE3 3.95Å; V475-W551 HydrophobicContact CG2-CZ3 3.96Å
476Q57.4Low75.3Confident140 Ų14059.5 Ų59.565%0.65432%0.321SS*.Hα-helixtrans-68.3-33.4175.6-70.9175.4-6.300113.4I472 N473 M474 R478I472-Q476 PolarHBondContact O-N 3Å; N473-Q476 PolarHBondContact O-N 3Å; M474-Q476 VanDerWaalsContact C-N 3.29Å; M474-Q476 PolarHBondContact O-N 3.46Å; Q476-R478 VanDerWaalsContact C-N 3.27Å; Q476-R478 PolarHBondContact O-N 3.23Å
477L54.8Low75.5Confident125 Ų12557.6 Ų57.665%0.65431%0.312SS*.Hα-helixtrans-71.4-20.2176-79.7154.8000113.1N473 M474N473-L477 WeakPolarHBondContact O-CD1 3.45Å; N473-L477 PolarHBondContact O-N 2.75Å; M474-L477 PolarHBondContact O-N 2.92Å
478R57.8Low75.5Confident32 Ų3256.2 Ų56.212%0.12131%0.306CS..G310 helixtrans-84.5-12.4-176.6-95.4-177.3162.1-153.7-9.6115.8M474 V475 Q476 A480 W551M474-R478 PolarHBondContact O-N 2.8Å; V475-R478 PolarHBondContact O-N 3.03Å; Q476-R478 VanDerWaalsContact C-N 3.27Å; Q476-R478 PolarHBondContact O-N 3.23Å; R478-A480 PolarHBondContact O-N 3.41Å; R478-W551 PolarHBondContact NH1-O 2.89Å
479A49.8Very low75.4Confident98 Ų9853.9 Ų53.981%0.8130%0.295SS*.G310 helixtrans-64.62.3176.500000113.8
480A48.3Very low75.4Confident73 Ų7348.3 Ų48.360%0.60327%0.273SS*.G310 helixtrans-112-8.1-172.500000115.6R478R478-A480 PolarHBondContact O-N 3.41Å
481S57.3Low75.2Confident26 Ų2648.7 Ų48.718%0.18227%0.272CS..  trans-120.6118.1-176.3-177.70000112F483S481-F483 VanDerWaalsContact C-N 3.33Å; S481-F483 PolarHBondContact OG-O 2.76Å; S481-F483 VanDerWaalsContact OG-O 3.12Å
482H67.1Low74.9Confident132 Ų13250.1 Ų50.161%0.61128%0.282SS*.SBendtrans-73.6-22.5179-67.3-80.3000113.4
483F79.7Confident74.9Confident12 Ų1246.1 Ų46.15%0.05326%0.261CS..  trans-116.9126.9-174.6-55.2-57.9000112.3S481 Y509 N557 I811 V901S481-F483 VanDerWaalsContact C-N 3.33Å; S481-F483 PolarHBondContact OG-O 2.76Å; S481-F483 VanDerWaalsContact OG-O 3.12Å; F483-Y509 VanDerWaalsContact O-CB 3.28Å; F483-Y509 WeakPolarHBondContact O-CB 3.27Å; F483-N557 VanDerWaalsContact CA-OD1 3.29Å; F483-N557 WeakPolarHBondContact CA-OD1 3.42Å; F483-I811 HydrophobicContact CE1-CG2 4.04Å; F483-I811 HydrophobicContact CE2-CG2 4.34Å; F483-I811 HydrophobicContact CZ-CG2 3.53Å; F483-V901 HydrophobicContact CB-CG2 3.8Å; F483-V901 HydrophobicContact CD1-CG2 3.56Å; F483-V901 HydrophobicContact CD2-CG2 4Å; F483-V901 HydrophobicContact CE1-CG2 4.16Å; F483-V901 HydrophobicContact CG-CG2 3.47Å; F483-V901 VanDerWaalsContact CG-CG2 3.47Å
484V85.8Confident75Confident17 Ų1744.7 Ų44.710%0.10326%0.257CS..  trans-138123.2178.5-178.70000110.1L486 A507 V553 P556 N557V484-L486 HydrophobicContact CG1-CD2 3.97Å; V484-A507 HydrophobicContact CG1-CB 3.95Å; V484-V553 HydrophobicContact CG1-CG2 4.47Å; V484-P556 WeakPolarHBondContact O-CA 3.49Å; V484-N557 PolarHBondContact N-OD1 3.38Å; V484-N557 PolarHBondContact O-N 3.44Å; V484-N557 PolarHBondContact O-OD1 3.07Å
485T88.9Confident75.1Confident2 Ų246.2 Ų46.21%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-95.3138.7166.4-67.90000109.6A507 H508 L558 A905T485-A507 CarbonylContact O-C 3.58Å; T485-A507 WeakPolarHBondContact O-CA 3.45Å; T485-H508 PolarHBondContact N-O 3.33Å; T485-H508 PolarHBondContact O-N 2.92Å; T485-L558 HydrophobicContact CG2-CB 3.83Å; T485-L558 HydrophobicContact CG2-CD2 4.32Å; T485-L558 HydrophobicContact CG2-CG 4.48Å; T485-A905 HydrophobicContact CG2-CB 3.99Å
486L90.8Very high75.4Confident1 Ų150.8 Ų50.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-106.3144175.1-59.9177.6000110.6V484 L505 W506 A507 L522 A548 V553 P556 L558 V559 L560V484-L486 HydrophobicContact CG1-CD2 3.97Å; L486-L505 HydrophobicContact CB-CD1 4.17Å; L486-L505 HydrophobicContact CD1-CD1 4.31Å; L486-L505 HydrophobicContact CD2-CD1 4.43Å; L486-W506 VanDerWaalsContact CA-O 3.28Å; L486-W506 WeakPolarHBondContact CA-O 3.36Å; L486-W506 WeakPolarHBondContact CD2-O 3.48Å; L486-A507 HydrophobicContact CD2-CB 3.8Å; L486-L522 HydrophobicContact CD2-CD1 4.31Å; L486-A548 HydrophobicContact CD1-CB 3.67Å; L486-V553 HydrophobicContact CD1-CG1 4.49Å; L486-P556 HydrophobicContact CD1-CB 3.78Å; L486-P556 HydrophobicContact CD1-CG 3.85Å; L486-P556 HydrophobicContact CG-CB 3.85Å; L486-P556 HydrophobicContact CG-CG 4.43Å; L486-L558 PolarHBondContact N-O 2.75Å; L486-V559 HydrophobicContact CB-CG2 4.49Å; L486-V559 CarbonylContact O-C 3.58Å; L486-V559 WeakPolarHBondContact O-CA 3.4Å; L486-L560 PolarHBondContact O-N 2.94Å
487S91.8Very high76.2Confident0 Ų052.5 Ų52.50%029%0.293CS..EExtended strand (participates in β ladder)trans-127.5149.5163.678.60000111.3W506 H508 L560 G910S487-W506 PolarHBondContact N-O 2.79Å; S487-W506 WeakPolarHBondContact O-CB 3.19Å; S487-W506 PolarHBondContact O-N 3.36Å; S487-W506 WeakPolarHBondContact OG-CB 3.21Å; S487-H508 WeakPolarHBondContact CB-NE2 3.36Å; S487-H508 PolarHBondContact OG-NE2 3.17Å; S487-L560 CarbonylContact C-O 3.46Å; S487-L560 WeakPolarHBondContact CA-O 3.29Å; S487-G910 PolarHBondContact OG-N 3.02Å
488V90.3Very high77.3Confident0 Ų049.1 Ų49.10%028%0.279CS..EExtended strand (participates in β ladder)trans-126.3117.1-169.8-177.10000108.3V490 L503 L505 V540 V544 V559 L560 L561 G562 A909V488-V490 HydrophobicContact CG1-CG2 4.04Å; V488-L503 HydrophobicContact CG1-CD1 3.4Å; V488-L503 VanDerWaalsContact CG1-CD1 3.4Å; V488-L503 HydrophobicContact CG1-CD2 3.89Å; V488-L503 HydrophobicContact CG1-CG 3.48Å; V488-L503 VanDerWaalsContact CG1-CG 3.48Å; V488-L505 HydrophobicContact CG2-CD1 3.98Å; V488-V540 HydrophobicContact CG1-CG1 4.34Å; V488-V544 HydrophobicContact CB-CG2 4.37Å; V488-V544 HydrophobicContact CG1-CG2 3.9Å; V488-V544 HydrophobicContact CG2-CB 4.43Å; V488-V544 HydrophobicContact CG2-CG1 3.97Å; V488-V544 HydrophobicContact CG2-CG2 3.52Å; V488-V559 HydrophobicContact CG2-CG1 4.28Å; V488-L560 PolarHBondContact N-O 2.96Å; V488-L561 HydrophobicContact CB-CD2 3.92Å; V488-L561 HydrophobicContact CG1-CD2 4.39Å; V488-L561 HydrophobicContact CG2-CD2 3.86Å; V488-G562 WeakPolarHBondContact O-CA 3.31Å; V488-G562 PolarHBondContact O-N 3.41Å; V488-A909 WeakPolarHBondContact O-CB 3.41Å
489D88.4Confident78.3Confident18 Ų1851 Ų5110%0.09630%0.297CS..EExtended strand (participates in β ladder)trans-103.1115.6174.9179.827000108.9L503 T504 A909 R929D489-L503 WeakPolarHBondContact O-CA 3.46Å; D489-T504 PolarHBondContact N-O 2.89Å; D489-T504 PolarHBondContact O-N 3.18Å; D489-A909 HydrophobicContact CB-CB 4.46Å; D489-R929 IonicContact OD2-NH1 2.83Å; D489-R929 PolarHBondContact OD2-NH1 3.31Å; D489-R929 IonicContact OD2-NH2 3.97Å
490V85.9Confident79.9Confident22 Ų2248.9 Ų48.913%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-107.3126.6176.6-176.90000110V488 Y502 L503 L535 M563V488-V490 HydrophobicContact CG1-CG2 4.04Å; V490-Y502 WeakPolarHBondContact CA-O 3.49Å; V490-L503 HydrophobicContact CG2-CB 4.36Å; V490-L503 HydrophobicContact CG2-CD1 4.01Å; V490-L503 HydrophobicContact CG2-CG 4.14Å; V490-L535 HydrophobicContact CG1-CD2 4.47Å; V490-M563 HydrophobicContact CB-CG 3.66Å; V490-M563 HydrophobicContact CB-SD 3.44Å; V490-M563 WeakPolarHBondContact CB-SD 3.38Å; V490-M563 HydrophobicContact CG1-CG 4.41Å; V490-M563 HydrophobicContact CG1-SD 3.52Å; V490-M563 VanDerWaalsContact CG1-SD 3.52Å; V490-M563 HydrophobicContact CG2-CG 3.49Å; V490-M563 VanDerWaalsContact CG2-CG 3.49Å; V490-M563 HydrophobicContact CG2-SD 3.41Å; V490-M563 WeakPolarHBondContact CG2-SD 3.47Å
491W83.2Confident81.7Confident14 Ų1447.8 Ų47.85%0.05325%0.252CS..EExtended strand (participates in β ladder)trans-146.7159.3-171.457.2-84.2000111.5H493 Y502 T504 T524 R929 L937 L941W491-H493 HydrophobicContact CE3-CB 4.29Å; W491-H493 HydrophobicContact CH2-CB 4.17Å; W491-H493 HydrophobicContact CZ3-CB 3.62Å; W491-H493 AromaticContact CZ3-ND1 3.93Å; W491-Y502 PolarHBondContact N-O 3.24Å; W491-Y502 PolarHBondContact O-N 2.95Å; W491-T504 PolarHBondContact NE1-OG1 3.03Å; W491-T504 VanDerWaalsContact NE1-OG1 3.08Å; W491-T524 HydrophobicContact CZ2-CG2 3.94Å; W491-R929 HydrophobicContact CH2-CB 3.99Å; W491-R929 HydrophobicContact CH2-CG 4.26Å; W491-R929 HydrophobicContact CZ3-CB 3.82Å; W491-R929 HydrophobicContact CZ3-CG 4.36Å; W491-L937 HydrophobicContact CH2-CD1 4.1Å; W491-L937 HydrophobicContact CH2-CD2 3.81Å; W491-L937 HydrophobicContact CH2-CG 4.29Å; W491-L937 HydrophobicContact CZ2-CD2 4.32Å; W491-L941 HydrophobicContact CH2-CD1 4.16Å; W491-L941 HydrophobicContact CZ2-CD1 3.71Å
492L80.9Confident83.2Confident78 Ų7847.4 Ų47.441%0.40825%0.247SC..EExtended strand (participates in β ladder)trans-93.4123.6-178.6-164.584.3000110.4C499L492-C499 HydrophobicContact CD1-CB 4.24Å; L492-C499 HydrophobicContact CD2-CB 3.99Å; L492-C499 HydrophobicContact CG-CB 4.22Å
493H84.6Confident84.3Confident5 Ų541.1 Ų41.12%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-99.6116.5170.9-175.554.6000110.2W491 C499 Q500 Y502 R929 I932W491-H493 HydrophobicContact CE3-CB 4.29Å; W491-H493 HydrophobicContact CH2-CB 4.17Å; W491-H493 HydrophobicContact CZ3-CB 3.62Å; W491-H493 AromaticContact CZ3-ND1 3.93Å; H493-C499 WeakPolarHBondContact O-CA 3.21Å; H493-Q500 PolarHBondContact N-O 3.18Å; H493-Q500 PolarHBondContact O-N 3.12Å; H493-Y502 HydrophobicContact CB-CD2 3.36Å; H493-Y502 HydrophobicContact CB-CE2 3.58Å; H493-Y502 HydrophobicContact CB-CG 4.24Å; H493-Y502 AromaticContact CD2-CE2 3.84Å; H493-R929 PolarHBondContact CE1-O 2.99Å; H493-R929 VanDerWaalsContact CE1-O 3.23Å; H493-R929 PolarHBondContact ND1-O 3.43Å; H493-I932 PolarHBondContact CE1-O 3.46Å; H493-I932 PolarHBondContact NE2-O 3.45Å
494S81.4Confident84.8Confident50 Ų5040.5 Ų40.535%0.3522%0.215SC..EExtended strand (participates in β ladder)trans-102.6111.7175.3-52.60000110.3S498 C499S494-S498 CarbonylContact C-O 3.59Å; S494-S498 WeakPolarHBondContact CA-O 3.37Å; S494-C499 PolarHBondContact OG-SG 3.01Å
495W80.8Confident85.2Confident58 Ų5839.7 Ų39.722%0.2221%0.21CC..EExtended strand (participates in β ladder)trans-135.5128.1179.1-179.5-102.7000110.8N497 S498 T931 P933 P934W495-N497 VanDerWaalsContact C-N 3.29Å; W495-N497 PolarHBondContact O-N 3.24Å; W495-S498 PolarHBondContact N-O 2.96Å; W495-S498 WeakPolarHBondContact O-CB 3.36Å; W495-S498 PolarHBondContact O-N 3.31Å; W495-T931 VanDerWaalsContact CZ3-C 3.5Å; W495-T931 WeakPolarHBondContact CZ3-O 3.49Å; W495-P933 HydrophobicContact CH2-CB 4.13Å; W495-P933 HydrophobicContact CZ2-CB 3.77Å; W495-P934 HydrophobicContact CG-CG 4.4Å
496Q78.8Confident85.3Confident163 Ų16340.1 Ų40.176%0.76221%0.212SC*.THydrogen-bonded Turntrans46.147177.6-64.6-179.7-4.200114.3S498Q496-S498 PolarHBondContact O-N 3.11Å
497N72.9Confident85.3Confident177 Ų17740 Ų4095%0.94721%0.211SC*.THydrogen-bonded Turntrans65.66.8-176.7-58.3-24.2000116.1W495W495-N497 VanDerWaalsContact C-N 3.29Å; W495-N497 PolarHBondContact O-N 3.24Å
498S79.3Confident85.2Confident53 Ų5340.3 Ų40.337%0.37121%0.212SC..EExtended strand (participates in β ladder)trans-93.8135.4163.9-168.30000109.5S494 W495 Q496 Q500S494-S498 CarbonylContact C-O 3.59Å; S494-S498 WeakPolarHBondContact CA-O 3.37Å; W495-S498 PolarHBondContact N-O 2.96Å; W495-S498 WeakPolarHBondContact O-CB 3.36Å; W495-S498 PolarHBondContact O-N 3.31Å; Q496-S498 PolarHBondContact O-N 3.11Å; S498-Q500 PolarHBondContact OG-NE2 3.45Å
499C79Confident85.1Confident73 Ų7341.4 Ų41.449%0.49322%0.217SC..EExtended strand (participates in β ladder)trans-117.3126.2170-69.60000108L492 H493 S494L492-C499 HydrophobicContact CD1-CB 4.24Å; L492-C499 HydrophobicContact CD2-CB 3.99Å; L492-C499 HydrophobicContact CG-CB 4.22Å; H493-C499 WeakPolarHBondContact O-CA 3.21Å; S494-C499 PolarHBondContact OG-SG 3.01Å
500Q83.1Confident85.1Confident52 Ų5240.8 Ų40.824%0.24321%0.213CC..EExtended strand (participates in β ladder)trans-137.9147-179.1-66.7178.90.400109.7H493 S498 Y502 K526H493-Q500 PolarHBondContact N-O 3.18Å; H493-Q500 PolarHBondContact O-N 3.12Å; S498-Q500 PolarHBondContact OG-NE2 3.45Å; Q500-Y502 HydrophobicContact CB-CD2 4.47Å; Q500-Y502 HydrophobicContact CB-CE2 3.99Å; Q500-K526 VanDerWaalsContact CD-CE 3.46Å; Q500-K526 VanDerWaalsContact NE2-NZ 3.17Å
501H85.6Confident85Confident51 Ų5142.1 Ų42.124%0.23622%0.22CC..EExtended strand (participates in β ladder)trans-77.3135.9173.8-73-83.5000110.9L527 E529 L535H501-L527 HydrophobicContact CB-CB 3.89Å; H501-L527 HydrophobicContact CB-CD2 4.08Å; H501-L527 WeakPolarHBondContact O-CB 3.4Å; H501-L527 PolarHBondContact O-N 3.33Å; H501-E529 IonicContact CD2-OE1 3.95Å; H501-L535 HydrophobicContact CB-CD2 4.37Å
502Y88.1Confident84.8Confident17 Ų1744.3 Ų44.37%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-124.6149.4173.6-80.3-103.1000109.4V490 W491 H493 Q500 T524 Q525 K526 L937V490-Y502 WeakPolarHBondContact CA-O 3.49Å; W491-Y502 PolarHBondContact N-O 3.24Å; W491-Y502 PolarHBondContact O-N 2.95Å; H493-Y502 HydrophobicContact CB-CD2 3.36Å; H493-Y502 HydrophobicContact CB-CE2 3.58Å; H493-Y502 HydrophobicContact CB-CG 4.24Å; H493-Y502 AromaticContact CD2-CE2 3.84Å; Q500-Y502 HydrophobicContact CB-CD2 4.47Å; Q500-Y502 HydrophobicContact CB-CE2 3.99Å; Y502-T524 HydrophobicContact CD1-CG2 4.09Å; Y502-Q525 CarbonylContact C-O 3.55Å; Y502-Q525 WeakPolarHBondContact CA-O 3.47Å; Y502-Q525 WeakPolarHBondContact CD1-O 3.3Å; Y502-K526 HydrophobicContact CD1-CB 4.24Å; Y502-K526 HydrophobicContact CE1-CB 3.82Å; Y502-K526 HydrophobicContact CE2-CB 4.48Å; Y502-K526 HydrophobicContact CE2-CG 4.42Å; Y502-L937 HydrophobicContact CD1-CD2 3.8Å; Y502-L937 HydrophobicContact CE1-CD2 3.68Å; Y502-L937 HydrophobicContact CG-CD2 4.29Å
503L90.4Very high84.5Confident0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-120.6125.8178.7-177.4150.9000108.5V488 D489 V490 L505 T524 Q525 L527 V540 V544 M547V488-L503 HydrophobicContact CG1-CD1 3.4Å; V488-L503 VanDerWaalsContact CG1-CD1 3.4Å; V488-L503 HydrophobicContact CG1-CD2 3.89Å; V488-L503 HydrophobicContact CG1-CG 3.48Å; V488-L503 VanDerWaalsContact CG1-CG 3.48Å; D489-L503 WeakPolarHBondContact O-CA 3.46Å; V490-L503 HydrophobicContact CG2-CB 4.36Å; V490-L503 HydrophobicContact CG2-CD1 4.01Å; V490-L503 HydrophobicContact CG2-CG 4.14Å; L503-L505 HydrophobicContact CD2-CB 4.32Å; L503-T524 CarbonylContact O-C 3.55Å; L503-T524 VanDerWaalsContact O-CA 3.25Å; L503-T524 WeakPolarHBondContact O-CA 3.46Å; L503-Q525 PolarHBondContact N-O 3.26Å; L503-Q525 PolarHBondContact O-N 3.47Å; L503-L527 HydrophobicContact CD1-CD1 4.24Å; L503-V540 HydrophobicContact CD1-CG1 3.67Å; L503-V544 HydrophobicContact CD1-CG2 3.85Å; L503-V544 HydrophobicContact CD2-CG2 4.28Å; L503-M547 HydrophobicContact CD2-CE 3.88Å; L503-M547 HydrophobicContact CD2-SD 3.55Å; L503-M547 VanDerWaalsContact CD2-SD 3.55Å
504T91.4Very high84.3Confident0 Ų049.8 Ų49.80%027%0.271CS..EExtended strand (participates in β ladder)trans-107.2118.5170.1-580000109.2D489 W491 W506 A523 T524D489-T504 PolarHBondContact N-O 2.89Å; D489-T504 PolarHBondContact O-N 3.18Å; W491-T504 PolarHBondContact NE1-OG1 3.03Å; W491-T504 VanDerWaalsContact NE1-OG1 3.08Å; T504-W506 HydrophobicContact CG2-CZ2 4.48Å; T504-A523 CarbonylContact C-O 3.57Å; T504-A523 WeakPolarHBondContact CA-O 3.5Å; T504-T524 WeakPolarHBondContact CG2-OG1 3.28Å; T504-T524 WeakPolarHBondContact OG1-CG2 3.37Å; T504-T524 PolarHBondContact OG1-OG1 2.82Å
505L92.4Very high84.6Confident0 Ų048 Ų480%026%0.257CS..EExtended strand (participates in β ladder)trans-88.2130.5175.8-175.765.4000110.2L486 V488 L503 L522 A523 V544 M547L486-L505 HydrophobicContact CB-CD1 4.17Å; L486-L505 HydrophobicContact CD1-CD1 4.31Å; L486-L505 HydrophobicContact CD2-CD1 4.43Å; V488-L505 HydrophobicContact CG2-CD1 3.98Å; L503-L505 HydrophobicContact CD2-CB 4.32Å; L505-L522 HydrophobicContact CB-CB 4.45Å; L505-L522 HydrophobicContact CD2-CB 4.4Å; L505-L522 HydrophobicContact CD2-CD1 3.91Å; L505-L522 HydrophobicContact CG-CB 4.39Å; L505-L522 HydrophobicContact CG-CD1 4.17Å; L505-L522 PolarHBondContact O-N 3.15Å; L505-A523 PolarHBondContact N-O 3.03Å; L505-V544 HydrophobicContact CD1-CG1 4.03Å; L505-M547 HydrophobicContact CB-CE 3.66Å; L505-M547 HydrophobicContact CD2-CB 3.68Å
506W91.8Very high84.8Confident10 Ų1046.3 Ų46.34%0.03825%0.254CS..EExtended strand (participates in β ladder)trans-119.2152.1175.8-63.778.7000110.1L486 S487 T504 H508 L520 A521 N911 H945L486-W506 VanDerWaalsContact CA-O 3.28Å; L486-W506 WeakPolarHBondContact CA-O 3.36Å; L486-W506 WeakPolarHBondContact CD2-O 3.48Å; S487-W506 PolarHBondContact N-O 2.79Å; S487-W506 WeakPolarHBondContact O-CB 3.19Å; S487-W506 PolarHBondContact O-N 3.36Å; S487-W506 WeakPolarHBondContact OG-CB 3.21Å; T504-W506 HydrophobicContact CG2-CZ2 4.48Å; W506-H508 WeakPolarHBondContact CB-NE2 3.5Å; W506-L520 CarbonylContact C-O 3.59Å; W506-L520 WeakPolarHBondContact CA-O 3.48Å; W506-A521 HydrophobicContact CD2-CB 4.14Å; W506-A521 HydrophobicContact CE3-CB 3.93Å; W506-A521 HydrophobicContact CH2-CB 4.06Å; W506-A521 HydrophobicContact CZ2-CB 4.23Å; W506-A521 HydrophobicContact CZ3-CB 3.9Å; W506-N911 WeakPolarHBondContact CH2-ND2 3.42Å; W506-H945 HydrophobicContact CH2-CB 3.59Å; W506-H945 AromaticContact CH2-CD2 3.69Å; W506-H945 AromaticContact CH2-CG 3.5Å; W506-H945 HydrophobicContact CZ2-CB 4.32Å; W506-H945 AromaticContact CZ2-CD2 3.99Å; W506-H945 AromaticContact CZ2-CG 3.84Å; W506-H945 AromaticContact CZ2-ND1 3.9Å; W506-H945 HydrophobicContact CZ3-CB 4.11Å
507A90.5Very high85.2Confident0 Ų041 Ų410%023%0.234CC..EExtended strand (participates in β ladder)trans-129.5142.6172.300000112.4V484 T485 L486 L520 L522V484-A507 HydrophobicContact CG1-CB 3.95Å; T485-A507 CarbonylContact O-C 3.58Å; T485-A507 WeakPolarHBondContact O-CA 3.45Å; L486-A507 HydrophobicContact CD2-CB 3.8Å; A507-L520 PolarHBondContact N-O 3.29Å; A507-L520 PolarHBondContact O-N 3.23Å; A507-L522 HydrophobicContact CB-CD1 3.8Å; A507-L522 HydrophobicContact CB-CD2 4.08Å; A507-L522 HydrophobicContact CB-CG 3.93Å
508H89.7Confident85.8Confident5 Ų535.5 Ų35.52%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-132.4126-171.1-48.1-84.6000108.6T485 S487 W506 H518 N519 F723 A904T485-H508 PolarHBondContact N-O 3.33Å; T485-H508 PolarHBondContact O-N 2.92Å; S487-H508 WeakPolarHBondContact CB-NE2 3.36Å; S487-H508 PolarHBondContact OG-NE2 3.17Å; W506-H508 WeakPolarHBondContact CB-NE2 3.5Å; H508-H518 VanDerWaalsContact CA-O 3.3Å; H508-H518 WeakPolarHBondContact CA-O 3.48Å; H508-N519 PolarHBondContact ND1-OD1 3.26Å; H508-F723 AromaticContact ND1-CE2 3.86Å; H508-A904 WeakPolarHBondContact CB-O 3.39Å
509Y88.4Confident86.2Confident24 Ų2435.6 Ų35.69%0.09420%0.199CC..EExtended strand (participates in β ladder)trans-149.9163.8176.265.9-83.7000109.8F483 H518 L520F483-Y509 VanDerWaalsContact O-CB 3.28Å; F483-Y509 WeakPolarHBondContact O-CB 3.27Å; Y509-H518 HydrophobicContact CD1-CB 3.87Å; Y509-H518 HydrophobicContact CD2-CB 4.15Å; Y509-H518 HydrophobicContact CE1-CB 3.45Å; Y509-H518 VanDerWaalsContact CE1-CB 3.45Å; Y509-H518 HydrophobicContact CE2-CB 3.75Å; Y509-H518 AromaticContact CE2-CG 3.72Å; Y509-H518 AromaticContact CE2-ND1 3.69Å; Y509-H518 HydrophobicContact CG-CB 4.2Å; Y509-H518 AromaticContact CZ-CG 3.58Å; Y509-H518 PolarHBondContact N-O 3.3Å; Y509-H518 VanDerWaalsContact N-O 3.15Å; Y509-H518 PolarHBondContact O-N 3.37Å; Y509-L520 HydrophobicContact CE1-CD1 3.83Å; Y509-L520 HydrophobicContact CE1-CG 4.33Å
510I88.8Confident86.7Confident4 Ų433.3 Ų33.32%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-116.8132.5175.3-72.1165.6000107.3F515 S516 L882 R900 M903 A904I510-F515 VanDerWaalsContact CG2-CA 3.47Å; I510-F515 HydrophobicContact CG2-CB 4.23Å; I510-F515 HydrophobicContact CG2-CD1 3.91Å; I510-F515 HydrophobicContact CG2-CG 4.18Å; I510-S516 WeakPolarHBondContact CA-O 3.32Å; I510-L882 HydrophobicContact CD1-CD2 3.51Å; I510-L882 HydrophobicContact CG1-CD2 4.4Å; I510-R900 HydrophobicContact CB-CB 4.43Å; I510-R900 HydrophobicContact CB-CG 4.27Å; I510-R900 HydrophobicContact CG2-CG 3.96Å; I510-M903 HydrophobicContact CD1-CB 3.74Å; I510-A904 HydrophobicContact CD1-CB 3.98Å; I510-A904 HydrophobicContact CG1-CB 3.92Å
511D84.1Confident87.1Confident51 Ų5130.9 Ų30.927%0.27317%0.17SC..  trans-68.4136179.1-173.6-78.4000111.4C513 D514 F515 S516D511-C513 VanDerWaalsContact C-N 3.34Å; D511-C513 PolarHBondContact O-N 3.22Å; D511-C513 WeakPolarHBondContact OD1-CA 3.2Å; D511-C513 VanDerWaalsContact OD1-CB 3.28Å; D511-C513 WeakPolarHBondContact OD1-CB 3.23Å; D511-C513 PolarHBondContact OD1-N 3.28Å; D511-D514 WeakPolarHBondContact CB-OD1 3.3Å; D511-D514 PolarHBondContact OD1-N 2.69Å; D511-F515 VanDerWaalsContact O-CA 3.31Å; D511-F515 WeakPolarHBondContact O-CA 3.31Å; D511-F515 PolarHBondContact O-N 3.03Å; D511-S516 WeakPolarHBondContact CB-OG 3.11Å; D511-S516 PolarHBondContact N-O 3.1Å
512D79Confident87.3Confident60 Ų6028.5 Ų28.532%0.32116%0.159SC..THydrogen-bonded Turntrans-69.9-29.1-174.9-70.8-8.8000113.3R900D512-R900 WeakPolarHBondContact OD1-CD 3.23Å; D512-R900 IonicContact OD1-CZ 3.63Å; D512-R900 IonicContact OD1-NE 3.93Å; D512-R900 IonicContact OD1-NH1 2.75Å; D512-R900 PolarHBondContact OD1-NH1 3.08Å; D512-R900 IonicContact OD2-NH1 2.9Å; D512-R900 PolarHBondContact OD2-NH1 3.11Å
513C75Confident87.5Confident126 Ų12627.9 Ų27.985%0.85116%0.157SC*.THydrogen-bonded Turntrans-81.3-37.2-176-65.30000112.1D511D511-C513 VanDerWaalsContact C-N 3.34Å; D511-C513 PolarHBondContact O-N 3.22Å; D511-C513 WeakPolarHBondContact OD1-CA 3.2Å; D511-C513 VanDerWaalsContact OD1-CB 3.28Å; D511-C513 WeakPolarHBondContact OD1-CB 3.23Å; D511-C513 PolarHBondContact OD1-N 3.28Å
514D80.6Confident87.6Confident71 Ų7128.3 Ų28.338%0.3816%0.16SC..THydrogen-bonded Turntrans-1316.7-170.680.8-8.7000114.7D511 S516 R886D511-D514 WeakPolarHBondContact CB-OD1 3.3Å; D511-D514 PolarHBondContact OD1-N 2.69Å; D514-S516 PolarHBondContact O-N 2.68Å; D514-S516 VanDerWaalsContact O-N 3.09Å; D514-S516 WeakPolarHBondContact OD1-CB 3.48Å; D514-S516 PolarHBondContact OD1-N 2.86Å; D514-S516 PolarHBondContact OD1-OG 3.46Å; D514-S516 PolarHBondContact OD2-OG 3.34Å; D514-R886 PolarHBondContact O-NE 2.98Å; D514-R886 PolarHBondContact O-NH2 3.39Å
515F87.3Confident87.7Confident12 Ų1230.9 Ų30.95%0.05317%0.172CC..  trans56.324.2-179.1-91.9-97.3000114.2I510 D511 W885 R886 A889 A896 R900I510-F515 VanDerWaalsContact CG2-CA 3.47Å; I510-F515 HydrophobicContact CG2-CB 4.23Å; I510-F515 HydrophobicContact CG2-CD1 3.91Å; I510-F515 HydrophobicContact CG2-CG 4.18Å; D511-F515 VanDerWaalsContact O-CA 3.31Å; D511-F515 WeakPolarHBondContact O-CA 3.31Å; D511-F515 PolarHBondContact O-N 3.03Å; F515-W885 HydrophobicContact CD1-CB 3.75Å; F515-W885 HydrophobicContact CE1-CB 3.6Å; F515-W885 HydrophobicContact CE1-CG 4.31Å; F515-W885 HydrophobicContact CZ-CB 4.32Å; F515-R886 HydrophobicContact CB-CB 3.94Å; F515-R886 HydrophobicContact CB-CG 4.44Å; F515-A889 HydrophobicContact CD2-CB 4.19Å; F515-A889 HydrophobicContact CE2-CB 3.44Å; F515-A889 VanDerWaalsContact CE2-CB 3.44Å; F515-A889 HydrophobicContact CZ-CB 3.93Å; F515-A896 HydrophobicContact CE2-CB 4.42Å; F515-A896 HydrophobicContact CZ-CB 3.83Å; F515-R900 HydrophobicContact CD1-CG 4.39Å; F515-R900 HydrophobicContact CE1-CG 3.71Å; F515-R900 HydrophobicContact CE2-CG 4.31Å; F515-R900 HydrophobicContact CZ-CG 3.66Å
516S84.8Confident87.6Confident23 Ų2335.4 Ų35.416%0.16119%0.192CC..  trans-79.7131.4176.461.60000111.7I510 D511 D514 H518I510-S516 WeakPolarHBondContact CA-O 3.32Å; D511-S516 WeakPolarHBondContact CB-OG 3.11Å; D511-S516 PolarHBondContact N-O 3.1Å; D514-S516 PolarHBondContact O-N 2.68Å; D514-S516 VanDerWaalsContact O-N 3.09Å; D514-S516 WeakPolarHBondContact OD1-CB 3.48Å; D514-S516 PolarHBondContact OD1-N 2.86Å; D514-S516 PolarHBondContact OD1-OG 3.46Å; D514-S516 PolarHBondContact OD2-OG 3.34Å; S516-H518 PolarHBondContact O-ND1 3.46Å; S516-H518 PolarHBondContact OG-CE1 3.39Å; S516-H518 VanDerWaalsContact OG-CE1 3.24Å
517P87.2Confident87.3Confident53 Ų5335.3 Ų35.334%0.34419%0.192SC..EExtended strand (participates in β ladder)trans-79.3137.7178.632.3-33.5000110.9L882P517-L882 HydrophobicContact CB-CD1 3.74Å; P517-L882 HydrophobicContact CG-CD1 3.58Å
518H85.9Confident86.7Confident60 Ų6043.1 Ų43.128%0.27823%0.228SC..EExtended strand (participates in β ladder)trans-121.4129.9176.1-71.285.4000110.2H508 Y509 S516H508-H518 VanDerWaalsContact CA-O 3.3Å; H508-H518 WeakPolarHBondContact CA-O 3.48Å; Y509-H518 HydrophobicContact CD1-CB 3.87Å; Y509-H518 HydrophobicContact CD2-CB 4.15Å; Y509-H518 HydrophobicContact CE1-CB 3.45Å; Y509-H518 VanDerWaalsContact CE1-CB 3.45Å; Y509-H518 HydrophobicContact CE2-CB 3.75Å; Y509-H518 AromaticContact CE2-CG 3.72Å; Y509-H518 AromaticContact CE2-ND1 3.69Å; Y509-H518 HydrophobicContact CG-CB 4.2Å; Y509-H518 AromaticContact CZ-CG 3.58Å; Y509-H518 PolarHBondContact N-O 3.3Å; Y509-H518 VanDerWaalsContact N-O 3.15Å; Y509-H518 PolarHBondContact O-N 3.37Å; S516-H518 PolarHBondContact O-ND1 3.46Å; S516-H518 PolarHBondContact OG-CE1 3.39Å; S516-H518 VanDerWaalsContact OG-CE1 3.24Å
519N87.6Confident85.4Confident55 Ų5548.7 Ų48.729%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-127.2102-179.1-63.9-52.2000109.1H508 F723H508-N519 PolarHBondContact ND1-OD1 3.26Å; N519-F723 WeakPolarHBondContact ND2-CD2 3.39Å; N519-F723 WeakPolarHBondContact OD1-CD2 3.21Å; N519-F723 WeakPolarHBondContact OD1-CE2 3.39Å
520L89Confident83.5Confident25 Ų2551.2 Ų51.213%0.13128%0.276CS..EExtended strand (participates in β ladder)trans-116128.1-171.2-56-176.7000110.7M474 W506 A507 Y509 L522 N946M474-L520 HydrophobicContact CE-CD1 4.11Å; M474-L520 HydrophobicContact CE-CD2 3.66Å; M474-L520 HydrophobicContact CE-CG 4.35Å; W506-L520 CarbonylContact C-O 3.59Å; W506-L520 WeakPolarHBondContact CA-O 3.48Å; A507-L520 PolarHBondContact N-O 3.29Å; A507-L520 PolarHBondContact O-N 3.23Å; Y509-L520 HydrophobicContact CE1-CD1 3.83Å; Y509-L520 HydrophobicContact CE1-CG 4.33Å; L520-L522 HydrophobicContact CB-CD2 4.44Å; L520-N946 VanDerWaalsContact CA-OD1 3.31Å; L520-N946 WeakPolarHBondContact CA-OD1 3.33Å
521A91.3Very high81.5Confident2 Ų255.1 Ų55.12%0.01732%0.317CS..EExtended strand (participates in β ladder)trans-77.1123.8167.600000108.3W506 F942 H945 N946W506-A521 HydrophobicContact CD2-CB 4.14Å; W506-A521 HydrophobicContact CE3-CB 3.93Å; W506-A521 HydrophobicContact CH2-CB 4.06Å; W506-A521 HydrophobicContact CZ2-CB 4.23Å; W506-A521 HydrophobicContact CZ3-CB 3.9Å; A521-F942 WeakPolarHBondContact O-CD2 3.38Å; A521-F942 WeakPolarHBondContact O-CE2 3.24Å; A521-H945 HydrophobicContact CB-CB 3.59Å; A521-N946 PolarHBondContact N-OD1 3.12Å; A521-N946 PolarHBondContact O-ND2 3.29Å
522L90.6Very high79.5Confident1 Ų155.7 Ų55.71%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-91.1-58.2-176.9-62.6-170000111.4L486 L505 A507 L520 W551 F942L486-L522 HydrophobicContact CD2-CD1 4.31Å; L505-L522 HydrophobicContact CB-CB 4.45Å; L505-L522 HydrophobicContact CD2-CB 4.4Å; L505-L522 HydrophobicContact CD2-CD1 3.91Å; L505-L522 HydrophobicContact CG-CB 4.39Å; L505-L522 HydrophobicContact CG-CD1 4.17Å; L505-L522 PolarHBondContact O-N 3.15Å; A507-L522 HydrophobicContact CB-CD1 3.8Å; A507-L522 HydrophobicContact CB-CD2 4.08Å; A507-L522 HydrophobicContact CB-CG 3.93Å; L520-L522 HydrophobicContact CB-CD2 4.44Å; L522-W551 HydrophobicContact CB-CD2 4.13Å; L522-W551 HydrophobicContact CB-CG 4.29Å; L522-W551 HydrophobicContact CB-CZ2 4.25Å; L522-W551 HydrophobicContact CD1-CB 4.18Å; L522-W551 HydrophobicContact CD1-CD2 4.32Å; L522-W551 HydrophobicContact CD1-CG 3.95Å; L522-W551 HydrophobicContact CD2-CD2 3.94Å; L522-W551 HydrophobicContact CD2-CE3 3.91Å; L522-W551 HydrophobicContact CD2-CG 4.43Å; L522-W551 HydrophobicContact CD2-CZ3 4.2Å; L522-W551 HydrophobicContact CG-CD2 4.36Å; L522-W551 HydrophobicContact CG-CG 4.47Å; L522-W551 WeakPolarHBondContact O-CZ2 3.43Å; L522-F942 WeakPolarHBondContact O-CD2 3.45Å; L522-F942 WeakPolarHBondContact O-CE2 3.37Å
523A92.1Very high77.9Confident3 Ų363 Ų633%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-157.4151.6-177.100000110.8T504 L505 M547T504-A523 CarbonylContact C-O 3.57Å; T504-A523 WeakPolarHBondContact CA-O 3.5Å; L505-A523 PolarHBondContact N-O 3.03Å; A523-M547 HydrophobicContact CB-CE 3.62Å; A523-M547 WeakPolarHBondContact O-CE 3.49Å
524T93Very high76.9Confident9 Ų962.4 Ų62.46%0.05535%0.346CS..EExtended strand (participates in β ladder)trans-117.1119.3169.4-58.10000109W491 Y502 L503 T504 D938 L941W491-T524 HydrophobicContact CZ2-CG2 3.94Å; Y502-T524 HydrophobicContact CD1-CG2 4.09Å; L503-T524 CarbonylContact O-C 3.55Å; L503-T524 VanDerWaalsContact O-CA 3.25Å; L503-T524 WeakPolarHBondContact O-CA 3.46Å; T504-T524 WeakPolarHBondContact CG2-OG1 3.28Å; T504-T524 WeakPolarHBondContact OG1-CG2 3.37Å; T504-T524 PolarHBondContact OG1-OG1 2.82Å; T524-D938 PolarHBondContact N-OD1 3.45Å; T524-D938 WeakPolarHBondContact O-CB 3.19Å; T524-L941 HydrophobicContact CG2-CD1 4.05Å
525Q92.2Very high76Confident54 Ų5462.7 Ų62.725%0.25235%0.347SS..EExtended strand (participates in β ladder)trans-126.1153.6179.9-67.9-176.12.800110.8Y502 L503 M547 E550Y502-Q525 CarbonylContact C-O 3.55Å; Y502-Q525 WeakPolarHBondContact CA-O 3.47Å; Y502-Q525 WeakPolarHBondContact CD1-O 3.3Å; L503-Q525 PolarHBondContact N-O 3.26Å; L503-Q525 PolarHBondContact O-N 3.47Å; Q525-M547 HydrophobicContact CB-CE 4.19Å; Q525-M547 HydrophobicContact CB-SD 4.13Å; Q525-M547 HydrophobicContact CG-CE 3.88Å; Q525-M547 HydrophobicContact CG-SD 4.12Å; Q525-E550 PolarHBondContact NE2-OE1 3.26Å
526K91.1Very high75.1Confident96 Ų9665.5 Ų65.542%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-69.4138.9170.9-179.9-177.1170173.50108.8Q500 Y502 Q543Q500-K526 VanDerWaalsContact CD-CE 3.46Å; Q500-K526 VanDerWaalsContact NE2-NZ 3.17Å; Y502-K526 HydrophobicContact CD1-CB 4.24Å; Y502-K526 HydrophobicContact CE1-CB 3.82Å; Y502-K526 HydrophobicContact CE2-CB 4.48Å; Y502-K526 HydrophobicContact CE2-CG 4.42Å; K526-Q543 PolarHBondContact O-NE2 3.39Å
527L86.1Confident74.6Confident7 Ų767.4 Ų67.44%0.03737%0.371CS..  trans-77131.7174.3-162.377.1000110.7H501 L503 E529 L535 V540H501-L527 HydrophobicContact CB-CB 3.89Å; H501-L527 HydrophobicContact CB-CD2 4.08Å; H501-L527 WeakPolarHBondContact O-CB 3.4Å; H501-L527 PolarHBondContact O-N 3.33Å; L503-L527 HydrophobicContact CD1-CD1 4.24Å; L527-E529 PolarHBondContact O-N 3.29Å; L527-L535 HydrophobicContact CD2-CD2 3.13Å; L527-V540 HydrophobicContact CD1-CG2 3.69Å; L527-V540 HydrophobicContact CD2-CG2 4.08Å
528E76.1Confident73.9Confident164 Ų16471.1 Ų71.177%0.76638%0.383SS*.  trans-78.6106.4175.6-61.2-162.2162.300110.3S530E528-S530 PolarHBondContact O-N 3.21Å
529E63.7Low73.6Confident123 Ų12369.7 Ų69.758%0.57538%0.382SS*.  trans-75.1110.3-179.9-71.6175.4-170.700110.8H501 L527 G531H501-E529 IonicContact CD2-OE1 3.95Å; L527-E529 PolarHBondContact O-N 3.29Å; E529-G531 PolarHBondContact O-N 3.47Å
530S49.3Very low73.4Confident77 Ų7767 Ų6754%0.53837%0.368SS..  trans-77.257.6174.670.10000112.1E528 A532E528-S530 PolarHBondContact O-N 3.21Å; S530-A532 PolarHBondContact O-N 3.2Å
531G45.5Very low73Confident85 Ų8568.2 Ų68.288%0.87637%0.373SS*.SBendtrans59.6-11.9167.400000119.3E529E529-G531 PolarHBondContact O-N 3.47Å
532A41.8Very low72.7Confident64 Ų6471.4 Ų71.453%0.52939%0.392SS..SBendtrans-94.7143.2174.900000109S530 D534S530-A532 PolarHBondContact O-N 3.2Å; A532-D534 PolarHBondContact O-N 3.43Å
533K46.3Very low72.6Confident212 Ų21272.1 Ų72.192%0.92240%0.396SS*.SBendtrans-67.3-2.4-176.9-76178.8174.6177.30114.1
534D53.2Low72.3Confident114 Ų11472.2 Ų72.261%0.6140%0.396SS*.SBendtrans-121139.7-173.7-57.1-52.9000110.8A532 N536A532-D534 PolarHBondContact O-N 3.43Å; D534-N536 PolarHBondContact O-N 2.99Å
535L61.3Low71.9Confident77 Ų7777.9 Ų77.940%0.40342%0.42SS..  trans-61.9112.9177.2-78.9153.8000110V490 H501 L527 L537 M563V490-L535 HydrophobicContact CG1-CD2 4.47Å; H501-L535 HydrophobicContact CB-CD2 4.37Å; L527-L535 HydrophobicContact CD2-CD2 3.13Å; L535-L537 PolarHBondContact O-N 3.28Å; L535-M563 HydrophobicContact CB-CE 4.16Å; L535-M563 HydrophobicContact CD1-SD 4.18Å; L535-M563 HydrophobicContact CD2-CE 4.39Å; L535-M563 HydrophobicContact CD2-SD 4.12Å
536N69.1Low71.7Confident72 Ų7280.5 Ų80.539%0.38543%0.432SS..  trans-82.3117.8175.1-174.5-10.8000110.2D534 Q538 A539 V540D534-N536 PolarHBondContact O-N 2.99Å; N536-Q538 PolarHBondContact O-N 3.4Å; N536-Q538 VanDerWaalsContact OD1-CB 3.32Å; N536-Q538 WeakPolarHBondContact OD1-CB 3.49Å; N536-Q538 PolarHBondContact OD1-N 3.48Å; N536-A539 HydrophobicContact CB-CB 4.15Å; N536-A539 WeakPolarHBondContact O-CB 3.38Å; N536-A539 PolarHBondContact O-N 3.17Å; N536-A539 VanDerWaalsContact O-N 3.08Å; N536-V540 PolarHBondContact O-N 3.38Å
537L73.6Confident71.6Confident62 Ų6275.9 Ų75.933%0.32541%0.412SS..Hα-helixtrans-51-40.8175.8-172.467.9000112.1L535 A539 V540 E541 L561L535-L537 PolarHBondContact O-N 3.28Å; L537-A539 VanDerWaalsContact C-N 3.33Å; L537-A539 PolarHBondContact O-N 3.12Å; L537-V540 PolarHBondContact O-N 2.94Å; L537-E541 WeakPolarHBondContact O-CG 3.5Å; L537-E541 PolarHBondContact O-N 3.29Å; L537-L561 HydrophobicContact CD1-CD1 3.48Å; L537-L561 VanDerWaalsContact CD1-CD1 3.48Å; L537-L561 HydrophobicContact CG-CD1 4.48Å
538Q73.8Confident71.7Confident131 Ų13175.7 Ų75.761%0.61241%0.411SS*.Hα-helixtrans-67.9-33.1-177.6-158.8176.124.900112.6N536 T542N536-Q538 PolarHBondContact O-N 3.4Å; N536-Q538 VanDerWaalsContact OD1-CB 3.32Å; N536-Q538 WeakPolarHBondContact OD1-CB 3.49Å; N536-Q538 PolarHBondContact OD1-N 3.48Å; Q538-T542 WeakPolarHBondContact O-CB 3.42Å; Q538-T542 PolarHBondContact O-N 3.1Å; Q538-T542 PolarHBondContact O-OG1 3.24Å
539A79.2Confident72.1Confident30 Ų3073.9 Ų73.925%0.24840%0.402CS..Hα-helixtrans-68.5-42.117500000110.8N536 L537 T542 Q543N536-A539 HydrophobicContact CB-CB 4.15Å; N536-A539 WeakPolarHBondContact O-CB 3.38Å; N536-A539 PolarHBondContact O-N 3.17Å; N536-A539 VanDerWaalsContact O-N 3.08Å; L537-A539 VanDerWaalsContact C-N 3.33Å; L537-A539 PolarHBondContact O-N 3.12Å; A539-T542 PolarHBondContact O-N 3.49Å; A539-Q543 PolarHBondContact O-N 2.96Å
540V82.5Confident73.1Confident0 Ų073.1 Ų73.10%040%0.399CS..Hα-helixtrans-62.6-47175.1173.30000111.3V488 L503 L527 N536 L537 T542 Q543 V544 L561 M563V488-V540 HydrophobicContact CG1-CG1 4.34Å; L503-V540 HydrophobicContact CD1-CG1 3.67Å; L527-V540 HydrophobicContact CD1-CG2 3.69Å; L527-V540 HydrophobicContact CD2-CG2 4.08Å; N536-V540 PolarHBondContact O-N 3.38Å; L537-V540 PolarHBondContact O-N 2.94Å; V540-T542 VanDerWaalsContact C-N 3.29Å; V540-T542 PolarHBondContact O-N 3.33Å; V540-Q543 PolarHBondContact O-N 3.16Å; V540-V544 HydrophobicContact CG1-CG2 4.25Å; V540-V544 WeakPolarHBondContact O-CB 3.42Å; V540-V544 WeakPolarHBondContact O-CG2 3.44Å; V540-V544 PolarHBondContact O-N 3.49Å; V540-L561 HydrophobicContact CG1-CD2 4.44Å; V540-M563 HydrophobicContact CB-CE 3.88Å; V540-M563 HydrophobicContact CG1-CE 4.1Å; V540-M563 HydrophobicContact CG2-CE 3.2Å; V540-M563 HydrophobicContact CG2-SD 4.12Å
541E81.6Confident74.8Confident50 Ų5070 Ų7023%0.23438%0.375CS..Hα-helixtrans-60-39.2177.1-73.8-178.6172.900112.8L537 K545 L561L537-E541 WeakPolarHBondContact O-CG 3.5Å; L537-E541 PolarHBondContact O-N 3.29Å; E541-K545 WeakPolarHBondContact O-CG 3.35Å; E541-K545 PolarHBondContact O-N 3.45Å; E541-K545 VanDerWaalsContact O-N 3.1Å; E541-L561 HydrophobicContact CG-CD1 4.46Å
542T84.4Confident76.4Confident69 Ų6968.9 Ų68.942%0.42336%0.364SS..Hα-helixtrans-65.3-49.7178.3-56.80000110.6Q538 A539 V540 V544 K545 E546Q538-T542 WeakPolarHBondContact O-CB 3.42Å; Q538-T542 PolarHBondContact O-N 3.1Å; Q538-T542 PolarHBondContact O-OG1 3.24Å; A539-T542 PolarHBondContact O-N 3.49Å; V540-T542 VanDerWaalsContact C-N 3.29Å; V540-T542 PolarHBondContact O-N 3.33Å; T542-V544 VanDerWaalsContact C-N 3.31Å; T542-V544 PolarHBondContact O-N 2.98Å; T542-K545 WeakPolarHBondContact O-CB 3.45Å; T542-K545 PolarHBondContact O-N 3.46Å; T542-K545 VanDerWaalsContact O-N 3.16Å; T542-E546 PolarHBondContact O-N 3.13Å; T542-E546 VanDerWaalsContact O-N 3.1Å
543Q88.1Confident78.3Confident16 Ų1666.5 Ų66.58%0.07534%0.343CS..Hα-helixtrans-63.4-37178.4-171.6169.65.100112.2K526 A539 V540 K545 E546 M547K526-Q543 PolarHBondContact O-NE2 3.39Å; A539-Q543 PolarHBondContact O-N 2.96Å; V540-Q543 PolarHBondContact O-N 3.16Å; Q543-K545 VanDerWaalsContact C-N 3.33Å; Q543-K545 PolarHBondContact O-N 3.45Å; Q543-E546 PolarHBondContact O-N 3.38Å; Q543-M547 HydrophobicContact CG-CG 4.39Å; Q543-M547 HydrophobicContact CG-SD 4.06Å; Q543-M547 WeakPolarHBondContact O-CB 3.26Å; Q543-M547 VanDerWaalsContact O-CG 3.24Å; Q543-M547 WeakPolarHBondContact O-CG 3.39Å; Q543-M547 PolarHBondContact O-N 3.47Å
544V87.3Confident79.4Confident5 Ų561.2 Ų61.23%0.0333%0.333CS..Hα-helixtrans-62.2-40.6175.3168.50000111.5V488 L503 L505 V540 T542 A548 V559V488-V544 HydrophobicContact CB-CG2 4.37Å; V488-V544 HydrophobicContact CG1-CG2 3.9Å; V488-V544 HydrophobicContact CG2-CB 4.43Å; V488-V544 HydrophobicContact CG2-CG1 3.97Å; V488-V544 HydrophobicContact CG2-CG2 3.52Å; L503-V544 HydrophobicContact CD1-CG2 3.85Å; L503-V544 HydrophobicContact CD2-CG2 4.28Å; L505-V544 HydrophobicContact CD1-CG1 4.03Å; V540-V544 HydrophobicContact CG1-CG2 4.25Å; V540-V544 WeakPolarHBondContact O-CB 3.42Å; V540-V544 WeakPolarHBondContact O-CG2 3.44Å; V540-V544 PolarHBondContact O-N 3.49Å; T542-V544 VanDerWaalsContact C-N 3.31Å; T542-V544 PolarHBondContact O-N 2.98Å; V544-A548 VanDerWaalsContact O-CB 3.24Å; V544-A548 WeakPolarHBondContact O-CB 3.32Å; V544-A548 PolarHBondContact O-N 3.39Å; V544-V559 HydrophobicContact CG1-CG1 4.4Å
545K84.7Confident80.4Confident127 Ų12763.8 Ų63.855%0.55234%0.341SS*.Hα-helixtrans-64-44.7176.1-73.7170.8-178.1172.90111.5E541 T542 Q543 A548 Q549E541-K545 WeakPolarHBondContact O-CG 3.35Å; E541-K545 PolarHBondContact O-N 3.45Å; E541-K545 VanDerWaalsContact O-N 3.1Å; T542-K545 WeakPolarHBondContact O-CB 3.45Å; T542-K545 PolarHBondContact O-N 3.46Å; T542-K545 VanDerWaalsContact O-N 3.16Å; Q543-K545 VanDerWaalsContact C-N 3.33Å; Q543-K545 PolarHBondContact O-N 3.45Å; K545-A548 PolarHBondContact O-N 3.41Å; K545-Q549 VanDerWaalsContact O-CG 3.28Å; K545-Q549 WeakPolarHBondContact O-CG 3.43Å; K545-Q549 PolarHBondContact O-N 3.41Å
546E87.8Confident81.1Confident109 Ų10961.3 Ų61.351%0.50933%0.33SS..Hα-helixtrans-61.4-48.8177.1-68.7174.517600111.3T542 Q543 A548 Q549 E550T542-E546 PolarHBondContact O-N 3.13Å; T542-E546 VanDerWaalsContact O-N 3.1Å; Q543-E546 PolarHBondContact O-N 3.38Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 3.42Å; E546-Q549 PolarHBondContact O-N 3.02Å; E546-E550 PolarHBondContact O-N 2.86Å; E546-E550 VanDerWaalsContact O-N 3.11Å
547M89.2Confident81.6Confident0 Ų059.2 Ų59.20%032%0.318CS..Hα-helixtrans-60.7-40.7175.8-70175.571.700111.8L503 L505 A523 Q525 Q543 Q549 E550 W551L503-M547 HydrophobicContact CD2-CE 3.88Å; L503-M547 HydrophobicContact CD2-SD 3.55Å; L503-M547 VanDerWaalsContact CD2-SD 3.55Å; L505-M547 HydrophobicContact CB-CE 3.66Å; L505-M547 HydrophobicContact CD2-CB 3.68Å; A523-M547 HydrophobicContact CB-CE 3.62Å; A523-M547 WeakPolarHBondContact O-CE 3.49Å; Q525-M547 HydrophobicContact CB-CE 4.19Å; Q525-M547 HydrophobicContact CB-SD 4.13Å; Q525-M547 HydrophobicContact CG-CE 3.88Å; Q525-M547 HydrophobicContact CG-SD 4.12Å; Q543-M547 HydrophobicContact CG-CG 4.39Å; Q543-M547 HydrophobicContact CG-SD 4.06Å; Q543-M547 WeakPolarHBondContact O-CB 3.26Å; Q543-M547 VanDerWaalsContact O-CG 3.24Å; Q543-M547 WeakPolarHBondContact O-CG 3.39Å; Q543-M547 PolarHBondContact O-N 3.47Å; M547-Q549 PolarHBondContact O-N 3.28Å; M547-E550 PolarHBondContact O-N 3.26Å; M547-W551 VanDerWaalsContact O-CD1 3.26Å
548A87.1Confident82.1Confident2 Ų256.5 Ų56.52%0.01730%0.304CS..Hα-helixtrans-63.8-40.7177.300000112.1L486 V544 K545 E546 E550 W551 G552 V553L486-A548 HydrophobicContact CD1-CB 3.67Å; V544-A548 VanDerWaalsContact O-CB 3.24Å; V544-A548 WeakPolarHBondContact O-CB 3.32Å; V544-A548 PolarHBondContact O-N 3.39Å; K545-A548 PolarHBondContact O-N 3.41Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 3.42Å; A548-E550 PolarHBondContact O-N 2.96Å; A548-W551 CarbonylContact O-C 3.43Å; A548-W551 WeakPolarHBondContact O-CA 3.44Å; A548-W551 PolarHBondContact O-N 3.4Å; A548-G552 PolarHBondContact O-N 3.15Å; A548-V553 CarbonylContact C-O 3.53Å; A548-V553 HydrophobicContact CB-CB 4.17Å; A548-V553 HydrophobicContact CB-CG1 4.48Å; A548-V553 WeakPolarHBondContact O-CB 3.46Å; A548-V553 PolarHBondContact O-N 2.87Å
549Q84.7Confident82.6Confident126 Ų12651.4 Ų51.459%0.58928%0.282SS*.Hα-helixtrans-63.6-38.1177.5-74.1174.59.700112.6K545 E546 M547 W551 G552K545-Q549 VanDerWaalsContact O-CG 3.28Å; K545-Q549 WeakPolarHBondContact O-CG 3.43Å; K545-Q549 PolarHBondContact O-N 3.41Å; E546-Q549 PolarHBondContact O-N 3.02Å; M547-Q549 PolarHBondContact O-N 3.28Å; Q549-W551 PolarHBondContact O-N 3.31Å; Q549-W551 VanDerWaalsContact O-N 3.08Å; Q549-G552 PolarHBondContact O-N 3.2Å
550E85.8Confident83Confident108 Ų10850 Ų5051%0.50527%0.27SS..Hα-helixtrans-55.8-27.2173.3-70.3-176.1-161.200112.8K471 Q525 E546 M547 A548K471-E550 IonicContact NZ-OE2 3.96Å; Q525-E550 PolarHBondContact NE2-OE1 3.26Å; E546-E550 PolarHBondContact O-N 2.86Å; E546-E550 VanDerWaalsContact O-N 3.11Å; M547-E550 PolarHBondContact O-N 3.26Å; A548-E550 PolarHBondContact O-N 2.96Å
551W84Confident83Confident11 Ų1150.2 Ų50.24%0.04227%0.271CS..THydrogen-bonded Turntrans-99.413.3-179.2-74.289.3000113.5K471 M474 V475 R478 L522 M547 A548 Q549 V553 F942K471-W551 HydrophobicContact CB-CH2 4.22Å; K471-W551 HydrophobicContact CD-CH2 4.08Å; K471-W551 HydrophobicContact CD-CZ2 3.85Å; K471-W551 HydrophobicContact CG-CH2 3.59Å; K471-W551 HydrophobicContact CG-CZ2 3.91Å; K471-W551 HydrophobicContact CG-CZ3 4.2Å; M474-W551 HydrophobicContact CB-CZ3 4.26Å; V475-W551 HydrophobicContact CG2-CE3 3.95Å; V475-W551 HydrophobicContact CG2-CZ3 3.96Å; R478-W551 PolarHBondContact NH1-O 2.89Å; L522-W551 HydrophobicContact CB-CD2 4.13Å; L522-W551 HydrophobicContact CB-CG 4.29Å; L522-W551 HydrophobicContact CB-CZ2 4.25Å; L522-W551 HydrophobicContact CD1-CB 4.18Å; L522-W551 HydrophobicContact CD1-CD2 4.32Å; L522-W551 HydrophobicContact CD1-CG 3.95Å; L522-W551 HydrophobicContact CD2-CD2 3.94Å; L522-W551 HydrophobicContact CD2-CE3 3.91Å; L522-W551 HydrophobicContact CD2-CG 4.43Å; L522-W551 HydrophobicContact CD2-CZ3 4.2Å; L522-W551 HydrophobicContact CG-CD2 4.36Å; L522-W551 HydrophobicContact CG-CG 4.47Å; L522-W551 WeakPolarHBondContact O-CZ2 3.43Å; M547-W551 VanDerWaalsContact O-CD1 3.26Å; A548-W551 CarbonylContact O-C 3.43Å; A548-W551 WeakPolarHBondContact O-CA 3.44Å; A548-W551 PolarHBondContact O-N 3.4Å; Q549-W551 PolarHBondContact O-N 3.31Å; Q549-W551 VanDerWaalsContact O-N 3.08Å; W551-V553 PolarHBondContact O-N 2.94Å; W551-F942 AromaticContact CH2-CE2 3.54Å; W551-F942 HydrophobicContact CH2-CE2 3.54Å; W551-F942 AromaticContact CH2-CZ 3.89Å; W551-F942 HydrophobicContact CH2-CZ 3.89Å; W551-F942 AromaticContact CZ2-CE2 3.88Å; W551-F942 HydrophobicContact CZ2-CE2 3.88Å
552G79.6Confident82.8Confident62 Ų6248 Ų4864%0.63926%0.262SS*.THydrogen-bonded Turntrans71.714.218000000114.1A548 Q549 S554A548-G552 PolarHBondContact O-N 3.15Å; Q549-G552 PolarHBondContact O-N 3.2Å; G552-S554 PolarHBondContact O-N 3.45Å
553V80.2Confident82.1Confident14 Ų1445.8 Ų45.89%0.08525%0.247CC..  trans-9490.4177.9-176.10000108.1V484 L486 A548 W551 P556V484-V553 HydrophobicContact CG1-CG2 4.47Å; L486-V553 HydrophobicContact CD1-CG1 4.49Å; A548-V553 CarbonylContact C-O 3.53Å; A548-V553 HydrophobicContact CB-CB 4.17Å; A548-V553 HydrophobicContact CB-CG1 4.48Å; A548-V553 WeakPolarHBondContact O-CB 3.46Å; A548-V553 PolarHBondContact O-N 2.87Å; W551-V553 PolarHBondContact O-N 2.94Å; V553-P556 HydrophobicContact CG1-CB 4.19Å
554S70.4Confident80.6Confident101 Ų10149.3 Ų49.371%0.70626%0.264SS*.SBendtrans-73.5-37.7-178.9-53.80000112.5G552G552-S554 PolarHBondContact O-N 3.45Å
555Q73.6Confident78.7Confident168 Ų16853.2 Ų53.279%0.78528%0.282SS*.SBendtrans-141.1105.8176-66.8-170.3-3.600109.4
556P77.6Confident76.8Confident25 Ų2555.3 Ų55.316%0.16229%0.286CS..  trans-65.9165.9169.326.5-29.1000110.3V484 L486 V553 V559 L586V484-P556 WeakPolarHBondContact O-CA 3.49Å; L486-P556 HydrophobicContact CD1-CB 3.78Å; L486-P556 HydrophobicContact CD1-CG 3.85Å; L486-P556 HydrophobicContact CG-CB 3.85Å; L486-P556 HydrophobicContact CG-CG 4.43Å; V553-P556 HydrophobicContact CG1-CB 4.19Å; P556-V559 HydrophobicContact CB-CG2 4.35Å; P556-V559 HydrophobicContact CG-CG2 3.78Å; P556-L586 VanDerWaalsContact C-CD2 3.41Å; P556-L586 HydrophobicContact CB-CD2 4.14Å; P556-L586 HydrophobicContact CG-CD2 3.92Å; P556-L586 WeakPolarHBondContact O-CD1 3.49Å; P556-L586 WeakPolarHBondContact O-CD2 3.37Å
557N79.1Confident74.4Confident28 Ų2856.2 Ų56.215%0.1530%0.295CS..SBendtrans-92.3-29.9174.1-63.590000113.9F483 V484 L586 V901F483-N557 VanDerWaalsContact CA-OD1 3.29Å; F483-N557 WeakPolarHBondContact CA-OD1 3.42Å; V484-N557 PolarHBondContact N-OD1 3.38Å; V484-N557 PolarHBondContact O-N 3.44Å; V484-N557 PolarHBondContact O-OD1 3.07Å; N557-L586 VanDerWaalsContact O-CD2 3.32Å; N557-L586 WeakPolarHBondContact O-CD2 3.38Å; N557-L586 VanDerWaalsContact O-CG 3.25Å; N557-L586 WeakPolarHBondContact O-CG 3.43Å; N557-V901 HydrophobicContact CB-CG1 3.54Å
558L83Confident71.7Confident5 Ų563.4 Ų63.43%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-146.4150.2170.6-167.172.4000110.1T485 L486 L586 P587 V589 L726 V775 A905T485-L558 HydrophobicContact CG2-CB 3.83Å; T485-L558 HydrophobicContact CG2-CD2 4.32Å; T485-L558 HydrophobicContact CG2-CG 4.48Å; L486-L558 PolarHBondContact N-O 2.75Å; L558-L586 VanDerWaalsContact N-CD2 3.31Å; L558-P587 HydrophobicContact CD1-CG 4.17Å; L558-P587 WeakPolarHBondContact CD1-O 3.47Å; L558-V589 HydrophobicContact CD1-CG2 3.69Å; L558-V589 HydrophobicContact CD2-CG2 4.13Å; L558-V589 HydrophobicContact CG-CG2 4.18Å; L558-L726 HydrophobicContact CD2-CD2 3.63Å; L558-V775 HydrophobicContact CD1-CG1 3.81Å; L558-V775 HydrophobicContact CD1-CG2 4.01Å; L558-V775 HydrophobicContact CD2-CG1 4.09Å; L558-A905 HydrophobicContact CD2-CB 3.53Å
559V84.1Confident69.2Low23 Ų2367.3 Ų67.314%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-122.6125.5168.5-177.10000108.6L486 V488 V544 P556 L561 L586 S588 V589L486-V559 HydrophobicContact CB-CG2 4.49Å; L486-V559 CarbonylContact O-C 3.58Å; L486-V559 WeakPolarHBondContact O-CA 3.4Å; V488-V559 HydrophobicContact CG2-CG1 4.28Å; V544-V559 HydrophobicContact CG1-CG1 4.4Å; P556-V559 HydrophobicContact CB-CG2 4.35Å; P556-V559 HydrophobicContact CG-CG2 3.78Å; V559-L561 HydrophobicContact CG1-CD2 3.95Å; V559-L561 HydrophobicContact CG1-CG 4.43Å; V559-L586 HydrophobicContact CG2-CD2 4.19Å; V559-S588 CarbonylContact O-C 3.54Å; V559-S588 WeakPolarHBondContact O-CA 3.19Å; V559-V589 PolarHBondContact O-N 3.4Å
560L87.4Confident66.6Low0 Ų065.9 Ų65.90%037%0.37CS..EExtended strand (participates in β ladder)trans-103.4125.9172-178.1142.7000110.3L486 S487 V488 V589 C591 P906 A909L486-L560 PolarHBondContact O-N 2.94Å; S487-L560 CarbonylContact C-O 3.46Å; S487-L560 WeakPolarHBondContact CA-O 3.29Å; V488-L560 PolarHBondContact N-O 2.96Å; L560-V589 VanDerWaalsContact CA-O 3.28Å; L560-V589 WeakPolarHBondContact CA-O 3.41Å; L560-V589 WeakPolarHBondContact CG-O 3.44Å; L560-C591 HydrophobicContact CD2-CB 3.87Å; L560-P906 HydrophobicContact CD1-CG 4.47Å; L560-P906 WeakPolarHBondContact CD1-O 3.39Å; L560-A909 HydrophobicContact CD2-CB 3.58Å
561L83.1Confident63.7Low5 Ų565.2 Ų65.23%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-104119.5-179.3-64.6-176.8000111.4V488 L537 V540 E541 V559 M563 S588 V589 C591V488-L561 HydrophobicContact CB-CD2 3.92Å; V488-L561 HydrophobicContact CG1-CD2 4.39Å; V488-L561 HydrophobicContact CG2-CD2 3.86Å; L537-L561 HydrophobicContact CD1-CD1 3.48Å; L537-L561 VanDerWaalsContact CD1-CD1 3.48Å; L537-L561 HydrophobicContact CG-CD1 4.48Å; V540-L561 HydrophobicContact CG1-CD2 4.44Å; E541-L561 HydrophobicContact CG-CD1 4.46Å; V559-L561 HydrophobicContact CG1-CD2 3.95Å; V559-L561 HydrophobicContact CG1-CG 4.43Å; L561-M563 VanDerWaalsContact C-N 3.33Å; L561-M563 PolarHBondContact O-N 3.2Å; L561-S588 WeakPolarHBondContact CD1-OG 3.41Å; L561-S588 WeakPolarHBondContact CG-OG 3.35Å; L561-V589 PolarHBondContact N-O 2.75Å; L561-C591 WeakPolarHBondContact O-CB 3.33Å; L561-C591 PolarHBondContact O-N 2.72Å
562G77.1Confident61.3Low5 Ų571 Ų715%0.05242%0.416CS..EExtended strand (participates in β ladder)trans-89.656.4172.500000112.8V488V488-G562 WeakPolarHBondContact O-CA 3.31Å; V488-G562 PolarHBondContact O-N 3.41Å
563M70.5Confident58.7Low22 Ų2276.6 Ų76.611%0.10843%0.426CS..SBendtrans-131.2157.9177.2-66.6-125.7-68.800111.5V490 L535 V540 L561 E565V490-M563 HydrophobicContact CB-CG 3.66Å; V490-M563 HydrophobicContact CB-SD 3.44Å; V490-M563 WeakPolarHBondContact CB-SD 3.38Å; V490-M563 HydrophobicContact CG1-CG 4.41Å; V490-M563 HydrophobicContact CG1-SD 3.52Å; V490-M563 VanDerWaalsContact CG1-SD 3.52Å; V490-M563 HydrophobicContact CG2-CG 3.49Å; V490-M563 VanDerWaalsContact CG2-CG 3.49Å; V490-M563 HydrophobicContact CG2-SD 3.41Å; V490-M563 WeakPolarHBondContact CG2-SD 3.47Å; L535-M563 HydrophobicContact CB-CE 4.16Å; L535-M563 HydrophobicContact CD1-SD 4.18Å; L535-M563 HydrophobicContact CD2-CE 4.39Å; L535-M563 HydrophobicContact CD2-SD 4.12Å; V540-M563 HydrophobicContact CB-CE 3.88Å; V540-M563 HydrophobicContact CG1-CE 4.1Å; V540-M563 HydrophobicContact CG2-CE 3.2Å; V540-M563 HydrophobicContact CG2-SD 4.12Å; L561-M563 VanDerWaalsContact C-N 3.33Å; L561-M563 PolarHBondContact O-N 3.2Å; M563-E565 PolarHBondContact O-N 3.23Å
564E55.7Low56.1Low89 Ų8983.8 Ų83.842%0.41646%0.458SS..  trans-77.6111.3167.9-169-174.6164.300108.1R566E564-R566 HydrophobicContact CG-CG 4.35Å; E564-R566 PolarHBondContact O-N 3.12Å; E564-R566 IonicContact OE1-CZ 3.02Å; E564-R566 IonicContact OE1-NE 3.3Å; E564-R566 PolarHBondContact OE1-NE 3.4Å; E564-R566 IonicContact OE1-NH2 3.67Å; E564-R566 PolarHBondContact OE1-NH2 3.38Å; E564-R566 IonicContact OE2-NE 2.66Å; E564-R566 IonicContact OE2-NH2 2.75Å
565E48.7Very low54Low88 Ų8885 Ų8541%0.41146%0.464SS..  trans-73.3100.3167.2-73.2178.8177.600108M563M563-E565 PolarHBondContact O-N 3.23Å
566R44.3Very low51.6Low170 Ų17085.2 Ų85.264%0.64247%0.465SS*.  trans-90.999.5161.9-79.7-170.2-167.1-171.78108.9E564 D568E564-R566 HydrophobicContact CG-CG 4.35Å; E564-R566 PolarHBondContact O-N 3.12Å; E564-R566 IonicContact OE1-CZ 3.02Å; E564-R566 IonicContact OE1-NE 3.3Å; E564-R566 PolarHBondContact OE1-NE 3.4Å; E564-R566 IonicContact OE1-NH2 3.67Å; E564-R566 PolarHBondContact OE1-NH2 3.38Å; E564-R566 IonicContact OE2-NE 2.66Å; E564-R566 IonicContact OE2-NH2 2.75Å; R566-D568 PolarHBondContact O-N 2.9Å
567D37.3Very low49.3Very low129 Ų12991 Ų9169%0.6950%0.5SS*.  trans-82.988.1171.5-144.7-10.7000108.6S569D567-S569 PolarHBondContact O-N 2.9Å; D567-S569 VanDerWaalsContact O-N 3.15Å; D567-S569 PolarHBondContact OD1-OG 2.93Å
568D33.2Very low46.6Very low151 Ų15194.9 Ų94.981%0.80753%0.529SS*.THydrogen-bonded Turntrans-75.913.5176.4-93.4-14.4000112.8R566R566-D568 PolarHBondContact O-N 2.9Å
569S34.3Very low43.8Very low83 Ų8398 Ų9858%0.5856%0.556SS**THydrogen-bonded Turntrans-102.918.8-175.773.70000115.4D567 S571D567-S569 PolarHBondContact O-N 2.9Å; D567-S569 VanDerWaalsContact O-N 3.15Å; D567-S569 PolarHBondContact OD1-OG 2.93Å; S569-S571 VanDerWaalsContact C-N 3.29Å; S569-S571 PolarHBondContact O-N 2.95Å
570A28.7Very low41.2Very low96 Ų96105.2 Ų105.279%0.79359%0.588SS**  trans-8362.717500000113.2
571S26.1Very low38.1Very low94 Ų94114.4 Ų114.466%0.65763%0.63SS**  trans-85.213115249.40000109.1S569 E573S569-S571 VanDerWaalsContact C-N 3.29Å; S569-S571 PolarHBondContact O-N 2.95Å; S571-E573 PolarHBondContact O-N 2.95Å
572P34Very low35.8Very low133 Ų133122.3 Ų122.386%0.86467%0.665SS**  trans-83.380.6-177.734.2-32.1000109.9
573E23.8Very low33.5Very low179 Ų179127.4 Ų127.484%0.83670%0.699SS**  trans-127.6153.8163-72.3-167.716900110.5S571S571-E573 PolarHBondContact O-N 2.95Å
574E25.2Very low31.8Very low166 Ų166136 Ų13678%0.77674%0.739SS**  trans-56.6157-150.3-66173.6157.600117.1Q576E574-Q576 VanDerWaalsContact C-N 3.33Å; E574-Q576 PolarHBondContact O-N 3.05Å
575P27.4Very low31Very low127 Ų127134.1 Ų134.183%0.82574%0.744SS**  trans-70.888.6177.630.6-33.2000109.9V577P575-V577 PolarHBondContact O-N 3.34Å
576Q22.4Very low31.3Very low171 Ų171133.2 Ų133.280%0.79974%0.742SS**  trans-75.2111166.3-69.4-162.1-5.100108.9E574 S578E574-Q576 VanDerWaalsContact C-N 3.33Å; E574-Q576 PolarHBondContact O-N 3.05Å; Q576-S578 PolarHBondContact O-N 3.3Å
577V30.3Very low32.3Very low148 Ų148126.9 Ų126.990%0.89772%0.722SS**  trans-57.596.6164.6178.60000108.1P575P575-V577 PolarHBondContact O-N 3.34Å
578S22.9Very low34.4Very low108 Ų108122 Ų12276%0.75570%0.699SS**  trans-119108.616057.50000108.5Q576Q576-S578 PolarHBondContact O-N 3.3Å
579A23.9Very low37.1Very low72 Ų72114.9 Ų114.960%0.59566%0.66SS**  trans-54.9146177.600000113
580E28.7Very low39.7Very low173 Ų173111.5 Ų111.581%0.80864%0.636SS**  trans53.278.9133.6-62.7172.9-173.500117.3
581H23.4Very low42.8Very low193 Ų193107 Ų10789%0.89460%0.599SS**  trans-143.752.7143.4-79.6-58000111
582F33.6Very low46Very low171 Ų171102.5 Ų102.575%0.7557%0.567SS**  trans-113103.1144.3-92.9-90.1000106.2E584F582-E584 PolarHBondContact O-N 2.89Å; F582-E584 VanDerWaalsContact O-N 3.12Å
583S28.4Very low48.8Very low112 Ų11296.4 Ų96.478%0.78353%0.527SS*.  trans-58.5107.8156.617.60000107.7G585S583-G585 PolarHBondContact O-N 3.34Å
584E35.4Very low51.9Low203 Ų20388.8 Ų88.895%0.94949%0.494SS*.SBendtrans37.144.6156.1-68.2175.8149.100116.5F582F582-E584 PolarHBondContact O-N 2.89Å; F582-E584 VanDerWaalsContact O-N 3.12Å
585G39.8Very low55.1Low49 Ų4981.3 Ų81.351%0.50546%0.461SS..  trans-101.7125.6-174.100000112.8S583S583-G585 PolarHBondContact O-N 3.34Å
586L54.2Low58.3Low70 Ų7075.4 Ų75.437%0.36642%0.422SS..  trans-39.1142.5168.3-116.973.9000115.4P556 N557 L558 V559 S588P556-L586 VanDerWaalsContact C-CD2 3.41Å; P556-L586 HydrophobicContact CB-CD2 4.14Å; P556-L586 HydrophobicContact CG-CD2 3.92Å; P556-L586 WeakPolarHBondContact O-CD1 3.49Å; P556-L586 WeakPolarHBondContact O-CD2 3.37Å; N557-L586 VanDerWaalsContact O-CD2 3.32Å; N557-L586 WeakPolarHBondContact O-CD2 3.38Å; N557-L586 VanDerWaalsContact O-CG 3.25Å; N557-L586 WeakPolarHBondContact O-CG 3.43Å; L558-L586 VanDerWaalsContact N-CD2 3.31Å; V559-L586 HydrophobicContact CG2-CD2 4.19Å; L586-S588 PolarHBondContact O-N 2.92Å
587P65.9Low61.6Low36 Ų3670.4 Ų70.423%0.23440%0.399CS..  trans-73.2128.2174.228.9-32.4000112.3L558 A771 V775L558-P587 HydrophobicContact CD1-CG 4.17Å; L558-P587 WeakPolarHBondContact CD1-O 3.47Å; P587-A771 HydrophobicContact CB-CB 3.82Å; P587-V775 HydrophobicContact CB-CG2 4.47Å; P587-V775 HydrophobicContact CG-CG2 3.55Å
588S81Confident64.4Low28 Ų2864 Ų6420%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-73.2126.2164.1173.70000109.9V559 L561 L586 V772V559-S588 CarbonylContact O-C 3.54Å; V559-S588 WeakPolarHBondContact O-CA 3.19Å; L561-S588 WeakPolarHBondContact CD1-OG 3.41Å; L561-S588 WeakPolarHBondContact CG-OG 3.35Å; L586-S588 PolarHBondContact O-N 2.92Å; S588-V772 WeakPolarHBondContact O-CG2 3.49Å
589V89.1Confident67.8Low0 Ų059 Ų590%033%0.327CS..EExtended strand (participates in β ladder)trans-104126.8178.1176.20000110.1L558 V559 L560 L561 L726 V772 V775L558-V589 HydrophobicContact CD1-CG2 3.69Å; L558-V589 HydrophobicContact CD2-CG2 4.13Å; L558-V589 HydrophobicContact CG-CG2 4.18Å; V559-V589 PolarHBondContact O-N 3.4Å; L560-V589 VanDerWaalsContact CA-O 3.28Å; L560-V589 WeakPolarHBondContact CA-O 3.41Å; L560-V589 WeakPolarHBondContact CG-O 3.44Å; L561-V589 PolarHBondContact N-O 2.75Å; V589-L726 HydrophobicContact CG1-CD1 3.93Å; V589-V772 HydrophobicContact CG1-CG1 4.42Å; V589-V772 HydrophobicContact CG2-CG1 4.44Å; V589-V775 HydrophobicContact CG2-CB 4.46Å; V589-V775 HydrophobicContact CG2-CG1 4.07Å
590P90.1Very high71.1Confident12 Ų1255.8 Ų55.88%0.07830%0.301CS..EExtended strand (participates in β ladder)trans-69.4133.8178.4-30.142.9000113.3F592 C766 Y767P590-F592 PolarHBondContact O-N 3.26Å; P590-C766 VanDerWaalsContact CG-O 3.29Å; P590-C766 WeakPolarHBondContact CG-O 3.29Å; P590-Y767 HydrophobicContact CB-CE1 4.31Å; P590-Y767 PolarHBondContact O-OH 3.1Å
591C92.4Very high74.2Confident1 Ų150.3 Ų50.31%0.00728%0.275CS..  trans-58.4125.7171.41750000110.7L560 L561 F593 S594 A595 A909L560-C591 HydrophobicContact CD2-CB 3.87Å; L561-C591 WeakPolarHBondContact O-CB 3.33Å; L561-C591 PolarHBondContact O-N 2.72Å; C591-F593 VanDerWaalsContact C-N 3.27Å; C591-F593 PolarHBondContact O-N 3.2Å; C591-S594 PolarHBondContact O-N 2.91Å; C591-A595 PolarHBondContact O-N 2.66Å; C591-A909 HydrophobicContact CB-CB 4.34Å; C591-A909 PolarHBondContact SG-N 3.07Å; C591-A909 VanDerWaalsContact SG-N 3.38Å
592F94.8Very high77.5Confident0 Ų044.8 Ų44.80%025%0.25CC..Hα-helixtrans-61.7-35.3-177.3-174.8-102.4000113.1P590 V596 A714 L718 I729 I732 L733 L736 Y767 A907P590-F592 PolarHBondContact O-N 3.26Å; F592-V596 HydrophobicContact CD1-CG2 4.2Å; F592-V596 HydrophobicContact CE1-CG2 3.79Å; F592-V596 HydrophobicContact CE2-CG2 4.22Å; F592-V596 HydrophobicContact CZ-CG2 3.8Å; F592-V596 VanDerWaalsContact O-CG2 3.31Å; F592-V596 WeakPolarHBondContact O-CG2 3.29Å; F592-V596 PolarHBondContact O-N 3.04Å; F592-A714 HydrophobicContact CE1-CB 4.1Å; F592-A714 HydrophobicContact CZ-CB 4.14Å; F592-L718 HydrophobicContact CB-CD1 4.45Å; F592-L718 HydrophobicContact CD1-CD1 3.31Å; F592-L718 HydrophobicContact CE1-CD1 3.74Å; F592-L718 HydrophobicContact CG-CD1 4.04Å; F592-I729 HydrophobicContact CB-CD1 3.65Å; F592-I729 HydrophobicContact CD1-CD1 4.28Å; F592-I729 HydrophobicContact CD2-CD1 3.75Å; F592-I729 HydrophobicContact CD2-CG2 4.44Å; F592-I729 HydrophobicContact CE2-CD1 4.48Å; F592-I729 HydrophobicContact CG-CD1 3.63Å; F592-I732 HydrophobicContact CE1-CG2 4.44Å; F592-I732 HydrophobicContact CE2-CG2 4.06Å; F592-I732 HydrophobicContact CZ-CG2 3.66Å; F592-L733 HydrophobicContact CE2-CD2 4.02Å; F592-L736 HydrophobicContact CE2-CD1 4.44Å; F592-L736 HydrophobicContact CZ-CD1 4.01Å; F592-Y767 VanDerWaalsContact CA-OH 3.25Å; F592-Y767 WeakPolarHBondContact CA-OH 3.47Å; F592-Y767 HydrophobicContact CD2-CE2 4.47Å; F592-A907 WeakPolarHBondContact CB-O 3.39Å; F592-A907 PolarHBondContact N-O 2.61Å; F592-A907 VanDerWaalsContact N-O 3.08Å
593F92.5Very high80.3Confident5 Ų536.7 Ų36.72%0.02221%0.214CC..Hα-helixtrans-71.7-39.4179.3-79.520.6000111.8C591 V596 Q597 W663 C715 L718 A719 V908 A912 A913 F916C591-F593 VanDerWaalsContact C-N 3.27Å; C591-F593 PolarHBondContact O-N 3.2Å; F593-V596 PolarHBondContact O-N 3.27Å; F593-Q597 WeakPolarHBondContact O-CB 3.09Å; F593-Q597 PolarHBondContact O-N 2.75Å; F593-W663 HydrophobicContact CB-CH2 4.3Å; F593-W663 HydrophobicContact CD2-CH2 4.39Å; F593-W663 HydrophobicContact CG-CH2 4.36Å; F593-C715 HydrophobicContact CD1-CB 4.44Å; F593-C715 HydrophobicContact CE1-CB 3.84Å; F593-C715 HydrophobicContact CZ-CB 4.07Å; F593-C715 WeakPolarHBondContact CZ-O 3.32Å; F593-L718 HydrophobicContact CE1-CB 4.02Å; F593-L718 HydrophobicContact CE1-CD1 4.1Å; F593-L718 HydrophobicContact CZ-CB 4.32Å; F593-A719 HydrophobicContact CZ-CB 4.21Å; F593-V908 HydrophobicContact CB-CG1 4.2Å; F593-V908 HydrophobicContact CD1-CG1 4.33Å; F593-V908 HydrophobicContact CD1-CG2 3.58Å; F593-V908 HydrophobicContact CD2-CG1 3.8Å; F593-V908 HydrophobicContact CD2-CG2 4.4Å; F593-V908 HydrophobicContact CE1-CG2 3.64Å; F593-V908 HydrophobicContact CE2-CG1 4.23Å; F593-V908 HydrophobicContact CE2-CG2 4.46Å; F593-V908 HydrophobicContact CG-CG1 3.85Å; F593-V908 HydrophobicContact CG-CG2 3.98Å; F593-V908 HydrophobicContact CZ-CG2 4.1Å; F593-A912 HydrophobicContact CD2-CB 4.24Å; F593-A913 HydrophobicContact CE2-CB 4.44Å; F593-F916 HydrophobicContact CD2-CB 4.19Å; F593-F916 HydrophobicContact CD2-CD2 4.39Å; F593-F916 HydrophobicContact CD2-CG 4.44Å; F593-F916 HydrophobicContact CE2-CB 3.49Å; F593-F916 VanDerWaalsContact CE2-CB 3.49Å; F593-F916 HydrophobicContact CE2-CD1 4.36Å; F593-F916 HydrophobicContact CE2-CD2 4.07Å; F593-F916 AromaticContact CE2-CG 3.73Å; F593-F916 HydrophobicContact CE2-CG 3.73Å; F593-F916 HydrophobicContact CZ-CB 4.35Å; F593-F916 HydrophobicContact CZ-CG 4.28Å
594S89.1Confident83.4Confident20 Ų2032.5 Ų32.514%0.1418%0.183CC..Hα-helixtrans-64.8-41.6175.2-53.80000111C591 Q597 G598C591-S594 PolarHBondContact O-N 2.91Å; S594-Q597 WeakPolarHBondContact O-CB 3.47Å; S594-Q597 PolarHBondContact O-N 3.43Å; S594-G598 PolarHBondContact O-N 3.49Å
595A92.4Very high86.2Confident9 Ų928.5 Ų28.57%0.07417%0.167CC..Hα-helixtrans-61.4-48.1174.900000112C591 G598 C599 L763 C766 Y767C591-A595 PolarHBondContact O-N 2.66Å; A595-G598 PolarHBondContact O-N 2.97Å; A595-C599 PolarHBondContact O-N 2.9Å; A595-C599 VanDerWaalsContact O-N 3.09Å; A595-C599 PolarHBondContact O-SG 3.3Å; A595-L763 HydrophobicContact CB-CD1 4.38Å; A595-C766 HydrophobicContact CB-CB 4.05Å; A595-Y767 HydrophobicContact CB-CE2 4.12Å
596V94.2Very high88.8Confident3 Ų328 Ų282%0.01815%0.151CC..Hα-helixtrans-65.1-39.9177.11730000111.5F592 F593 C599 V600 W663 L711F592-V596 HydrophobicContact CD1-CG2 4.2Å; F592-V596 HydrophobicContact CE1-CG2 3.79Å; F592-V596 HydrophobicContact CE2-CG2 4.22Å; F592-V596 HydrophobicContact CZ-CG2 3.8Å; F592-V596 VanDerWaalsContact O-CG2 3.31Å; F592-V596 WeakPolarHBondContact O-CG2 3.29Å; F592-V596 PolarHBondContact O-N 3.04Å; F593-V596 PolarHBondContact O-N 3.27Å; V596-C599 PolarHBondContact O-N 3.02Å; V596-V600 HydrophobicContact CG1-CG2 4.14Å; V596-V600 WeakPolarHBondContact O-CB 3.36Å; V596-V600 VanDerWaalsContact O-CG2 3.29Å; V596-V600 WeakPolarHBondContact O-CG2 3.03Å; V596-V600 PolarHBondContact O-N 3.13Å; V596-W663 HydrophobicContact CG1-CE3 4.39Å; V596-W663 HydrophobicContact CG1-CZ3 4.05Å; V596-L711 HydrophobicContact CG1-CB 4.25Å; V596-L711 HydrophobicContact CG1-CD2 4.29Å; V596-L711 HydrophobicContact CG2-CD2 4.08Å
597Q91.3Very high90.8Very high65 Ų6529.3 Ų29.330%0.30416%0.164SC..Hα-helixtrans-55.7-55.6175170.2168.9-2.700110.9F593 S594 C599 V600 E601 W663F593-Q597 WeakPolarHBondContact O-CB 3.09Å; F593-Q597 PolarHBondContact O-N 2.75Å; S594-Q597 WeakPolarHBondContact O-CB 3.47Å; S594-Q597 PolarHBondContact O-N 3.43Å; Q597-C599 VanDerWaalsContact C-N 3.29Å; Q597-C599 PolarHBondContact O-N 3.16Å; Q597-V600 PolarHBondContact O-N 3.26Å; Q597-V600 VanDerWaalsContact O-N 3.14Å; Q597-E601 HydrophobicContact CG-CG 4.26Å; Q597-E601 WeakPolarHBondContact CG-OE1 3.27Å; Q597-E601 PolarHBondContact NE2-OE1 3.41Å; Q597-E601 WeakPolarHBondContact O-CB 3.48Å; Q597-E601 WeakPolarHBondContact O-CG 3.01Å; Q597-E601 PolarHBondContact O-N 2.85Å; Q597-W663 HydrophobicContact CB-CD2 3.85Å; Q597-W663 HydrophobicContact CB-CE3 4.47Å; Q597-W663 HydrophobicContact CB-CG 4.02Å; Q597-W663 HydrophobicContact CB-CZ2 4.14Å; Q597-W663 VanDerWaalsContact CD-CD1 3.42Å; Q597-W663 HydrophobicContact CG-CD2 4.19Å; Q597-W663 HydrophobicContact CG-CG 3.84Å; Q597-W663 VanDerWaalsContact OE1-NE1 3.13Å
598G89.4Confident92.1Very high13 Ų1330.7 Ų30.713%0.13417%0.172CC..Hα-helixtrans-57.4-43.1179.500000112.1S594 A595 V600 E601 E602S594-G598 PolarHBondContact O-N 3.49Å; A595-G598 PolarHBondContact O-N 2.97Å; G598-V600 PolarHBondContact O-N 2.75Å; G598-E601 PolarHBondContact O-N 2.85Å; G598-E602 WeakPolarHBondContact O-CB 3.45Å; G598-E602 PolarHBondContact O-N 3.32Å
599C93.5Very high92.7Very high3 Ų329.5 Ų29.52%0.0216%0.163CC..Hα-helixtrans-61.8-43.2176.9-64.70000113A595 V596 Q597 V603 M759 N762 L763A595-C599 PolarHBondContact O-N 2.9Å; A595-C599 VanDerWaalsContact O-N 3.09Å; A595-C599 PolarHBondContact O-SG 3.3Å; V596-C599 PolarHBondContact O-N 3.02Å; Q597-C599 VanDerWaalsContact C-N 3.29Å; Q597-C599 PolarHBondContact O-N 3.16Å; C599-V603 VanDerWaalsContact O-CG2 3.32Å; C599-V603 WeakPolarHBondContact O-CG2 3.4Å; C599-V603 PolarHBondContact O-N 3.22Å; C599-M759 HydrophobicContact CB-SD 3.47Å; C599-M759 WeakPolarHBondContact CB-SD 3.44Å; C599-N762 HydrophobicContact CB-CB 4.45Å; C599-N762 VanDerWaalsContact SG-CB 3.54Å; C599-L763 PolarHBondContact SG-N 3.34Å; C599-L763 VanDerWaalsContact SG-N 3.42Å
600V94.4Very high93Very high5 Ų534.2 Ų34.23%0.0318%0.184CC..Hα-helixtrans-71.2-41.1180172.60000111.1V596 Q597 G598 V603 M604 W663 L666 L708 M759V596-V600 HydrophobicContact CG1-CG2 4.14Å; V596-V600 WeakPolarHBondContact O-CB 3.36Å; V596-V600 VanDerWaalsContact O-CG2 3.29Å; V596-V600 WeakPolarHBondContact O-CG2 3.03Å; V596-V600 PolarHBondContact O-N 3.13Å; Q597-V600 PolarHBondContact O-N 3.26Å; Q597-V600 VanDerWaalsContact O-N 3.14Å; G598-V600 PolarHBondContact O-N 2.75Å; V600-V603 WeakPolarHBondContact O-CB 3.47Å; V600-V603 PolarHBondContact O-N 2.83Å; V600-M604 HydrophobicContact CG1-CG 4.43Å; V600-M604 HydrophobicContact CG1-SD 4.13Å; V600-M604 VanDerWaalsContact O-CG 3.29Å; V600-M604 WeakPolarHBondContact O-CG 3.28Å; V600-M604 PolarHBondContact O-N 2.77Å; V600-W663 HydrophobicContact CB-CB 4.08Å; V600-W663 HydrophobicContact CG1-CB 3.77Å; V600-L666 HydrophobicContact CG1-CD2 3.87Å; V600-L708 HydrophobicContact CG1-CD2 4.15Å; V600-L708 HydrophobicContact CG2-CD2 3.9Å; V600-M759 HydrophobicContact CG2-CE 4.14Å
601E92.7Very high93.2Very high59 Ų5940 Ų4028%0.27621%0.208SC..Hα-helixtrans-65-40.7179-72.5179.9177.300111.6Q597 G598 V603 M604 L605 W663Q597-E601 HydrophobicContact CG-CG 4.26Å; Q597-E601 WeakPolarHBondContact CG-OE1 3.27Å; Q597-E601 PolarHBondContact NE2-OE1 3.41Å; Q597-E601 WeakPolarHBondContact O-CB 3.48Å; Q597-E601 WeakPolarHBondContact O-CG 3.01Å; Q597-E601 PolarHBondContact O-N 2.85Å; G598-E601 PolarHBondContact O-N 2.85Å; E601-V603 VanDerWaalsContact C-N 3.33Å; E601-V603 PolarHBondContact O-N 2.81Å; E601-M604 WeakPolarHBondContact O-CB 3.34Å; E601-M604 PolarHBondContact O-N 3.43Å; E601-M604 VanDerWaalsContact O-N 3.13Å; E601-L605 WeakPolarHBondContact O-CG 3.43Å; E601-L605 PolarHBondContact O-N 3.11Å; E601-W663 HydrophobicContact CG-CB 4.17Å
602E92.6Very high93.2Very high77 Ų7740.3 Ų40.336%0.3621%0.21SC..Hα-helixtrans-62.3-40.5172.9-168.1-175.5134.900111.9G598 M604 L605 H606 M758 R761 N762G598-E602 WeakPolarHBondContact O-CB 3.45Å; G598-E602 PolarHBondContact O-N 3.32Å; E602-M604 VanDerWaalsContact C-N 3.3Å; E602-M604 PolarHBondContact O-N 3.38Å; E602-L605 PolarHBondContact O-N 3.03Å; E602-L605 VanDerWaalsContact O-N 3.15Å; E602-H606 PolarHBondContact O-N 3.38Å; E602-M758 HydrophobicContact CG-CE 4.19Å; E602-R761 IonicContact OE1-NH1 3.54Å; E602-N762 PolarHBondContact OE1-ND2 3.36Å; E602-N762 PolarHBondContact OE2-ND2 3.1Å
603V93.5Very high93.2Very high0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-64.3-35.7174.6167.30000111.6C599 V600 E601 L605 H606 I609 L704 V755 M759C599-V603 VanDerWaalsContact O-CG2 3.32Å; C599-V603 WeakPolarHBondContact O-CG2 3.4Å; C599-V603 PolarHBondContact O-N 3.22Å; V600-V603 WeakPolarHBondContact O-CB 3.47Å; V600-V603 PolarHBondContact O-N 2.83Å; E601-V603 VanDerWaalsContact C-N 3.33Å; E601-V603 PolarHBondContact O-N 2.81Å; V603-L605 VanDerWaalsContact C-N 3.28Å; V603-L605 PolarHBondContact O-N 3.22Å; V603-H606 VanDerWaalsContact O-CB 3.3Å; V603-H606 WeakPolarHBondContact O-CB 3.21Å; V603-H606 PolarHBondContact O-N 3.42Å; V603-I609 HydrophobicContact CG1-CD1 3.52Å; V603-I609 WeakPolarHBondContact O-CD1 3.4Å; V603-L704 HydrophobicContact CG1-CD1 3.78Å; V603-V755 HydrophobicContact CG1-CG1 3.67Å; V603-V755 HydrophobicContact CG2-CG1 4.12Å; V603-M759 HydrophobicContact CB-CE 4.34Å; V603-M759 HydrophobicContact CG2-CE 3.84Å; V603-M759 HydrophobicContact CG2-SD 4.33Å
604M93.7Very high93.2Very high25 Ų2542.3 Ų42.312%0.12322%0.223CC..Hα-helixtrans-66.1-31174.3-70.917065.800112.6V600 E601 E602 H606 F610 L613 P661 L666V600-M604 HydrophobicContact CG1-CG 4.43Å; V600-M604 HydrophobicContact CG1-SD 4.13Å; V600-M604 VanDerWaalsContact O-CG 3.29Å; V600-M604 WeakPolarHBondContact O-CG 3.28Å; V600-M604 PolarHBondContact O-N 2.77Å; E601-M604 WeakPolarHBondContact O-CB 3.34Å; E601-M604 PolarHBondContact O-N 3.43Å; E601-M604 VanDerWaalsContact O-N 3.13Å; E602-M604 VanDerWaalsContact C-N 3.3Å; E602-M604 PolarHBondContact O-N 3.38Å; M604-H606 VanDerWaalsContact C-N 3.32Å; M604-F610 WeakPolarHBondContact O-CA 3.31Å; M604-F610 WeakPolarHBondContact O-CB 3.32Å; M604-F610 PolarHBondContact O-N 3.01Å; M604-L613 HydrophobicContact CB-CD1 4.41Å; M604-L613 HydrophobicContact CE-CD1 4.5Å; M604-L613 HydrophobicContact CG-CD1 4.21Å; M604-P661 WeakPolarHBondContact CE-O 3.26Å; M604-L666 HydrophobicContact CG-CD2 3.61Å; M604-L666 HydrophobicContact SD-CD2 3.86Å
605L93.8Very high93.3Very high119 Ų11943.4 Ų43.462%0.62323%0.227SC*.Hα-helixtrans-77-15.2176.4-66.7174.3000113.4E601 E602 V603E601-L605 WeakPolarHBondContact O-CG 3.43Å; E601-L605 PolarHBondContact O-N 3.11Å; E602-L605 PolarHBondContact O-N 3.03Å; E602-L605 VanDerWaalsContact O-N 3.15Å; V603-L605 VanDerWaalsContact C-N 3.28Å; V603-L605 PolarHBondContact O-N 3.22Å
606H95.3Very high93.3Very high37 Ų3743.2 Ų43.217%0.17122%0.224CC..SBendtrans-55.7128.1176.9-178.4-83.5000110.8E602 V603 M604 V608 I609 F610 I751E602-H606 PolarHBondContact O-N 3.38Å; V603-H606 VanDerWaalsContact O-CB 3.3Å; V603-H606 WeakPolarHBondContact O-CB 3.21Å; V603-H606 PolarHBondContact O-N 3.42Å; M604-H606 VanDerWaalsContact C-N 3.32Å; H606-V608 VanDerWaalsContact C-N 3.3Å; H606-V608 PolarHBondContact ND1-N 2.83Å; H606-V608 PolarHBondContact O-N 3.32Å; H606-I609 HydrophobicContact CB-CB 4.34Å; H606-I609 HydrophobicContact CB-CD1 4.25Å; H606-I609 HydrophobicContact CB-CG1 4.47Å; H606-I609 PolarHBondContact O-N 3.41Å; H606-F610 PolarHBondContact O-N 3.29Å; H606-I751 WeakPolarHBondContact CE1-CD1 3.44Å
607P94.4Very high93.2Very high98 Ų9844.9 Ų44.964%0.63623%0.232SC*.Hα-helixtrans-53.7-40-166.1-3034.3000115.4K611P607-K611 VanDerWaalsContact O-CB 3.24Å; P607-K611 WeakPolarHBondContact O-CB 3.35Å; P607-K611 PolarHBondContact O-N 2.95Å; P607-K611 VanDerWaalsContact O-N 3.09Å
608V93.8Very high93.1Very high66 Ų6643.2 Ų43.240%0.423%0.232SC..Hα-helixtrans-69.7-39.5178.8179.40000111.6H606 T612 V700 I751H606-V608 VanDerWaalsContact C-N 3.3Å; H606-V608 PolarHBondContact ND1-N 2.83Å; H606-V608 PolarHBondContact O-N 3.32Å; V608-T612 WeakPolarHBondContact O-CB 3.36Å; V608-T612 PolarHBondContact O-N 2.97Å; V608-T612 VanDerWaalsContact O-N 3.09Å; V608-T612 PolarHBondContact O-OG1 2.9Å; V608-V700 HydrophobicContact CG1-CG2 4.34Å; V608-I751 HydrophobicContact CB-CD1 4.19Å; V608-I751 HydrophobicContact CG1-CD1 4.44Å; V608-I751 HydrophobicContact CG1-CG1 4.48Å
609I94.6Very high93.1Very high3 Ų342.7 Ų42.72%0.01523%0.226CC..Hα-helixtrans-73.4-50.1-179.3-68.6174.5000109.1V603 H606 K611 T612 L613 V700 L704 V755V603-I609 HydrophobicContact CG1-CD1 3.52Å; V603-I609 WeakPolarHBondContact O-CD1 3.4Å; H606-I609 HydrophobicContact CB-CB 4.34Å; H606-I609 HydrophobicContact CB-CD1 4.25Å; H606-I609 HydrophobicContact CB-CG1 4.47Å; H606-I609 PolarHBondContact O-N 3.41Å; I609-K611 VanDerWaalsContact C-N 3.29Å; I609-K611 PolarHBondContact O-N 3.45Å; I609-T612 CarbonylContact O-C 3.56Å; I609-T612 WeakPolarHBondContact O-CA 3.19Å; I609-T612 WeakPolarHBondContact O-CB 3.36Å; I609-T612 PolarHBondContact O-N 2.9Å; I609-L613 HydrophobicContact CG2-CD1 3.88Å; I609-L613 HydrophobicContact CG2-CG 4.11Å; I609-L613 WeakPolarHBondContact O-CG 3.27Å; I609-L613 PolarHBondContact O-N 3.27Å; I609-V700 HydrophobicContact CG1-CG1 4.42Å; I609-L704 HydrophobicContact CD1-CD1 4.05Å; I609-L704 HydrophobicContact CD1-CD2 4.45Å; I609-L704 HydrophobicContact CG2-CD2 3.8Å; I609-V755 HydrophobicContact CD1-CG1 4.4Å; I609-V755 HydrophobicContact CD1-CG2 3.53Å
610F94.7Very high92.9Very high99 Ų9942.8 Ų42.843%0.43423%0.226SC..Hα-helixtrans-51.9-49.2176.7-176.1-101.4000111.6M604 H606 T612 L613 C614M604-F610 WeakPolarHBondContact O-CA 3.31Å; M604-F610 WeakPolarHBondContact O-CB 3.32Å; M604-F610 PolarHBondContact O-N 3.01Å; H606-F610 PolarHBondContact O-N 3.29Å; F610-T612 VanDerWaalsContact C-N 3.35Å; F610-T612 PolarHBondContact O-N 3.44Å; F610-L613 PolarHBondContact O-N 2.95Å; F610-C614 WeakPolarHBondContact O-CB 3.33Å; F610-C614 PolarHBondContact O-N 3.45Å; F610-C614 PolarHBondContact O-SG 2.84Å; F610-C614 VanDerWaalsContact O-SG 3.34Å
611K93.8Very high92.6Very high133 Ų13344.1 Ų44.158%0.57824%0.236SC*.Hα-helixtrans-59.3-44.7175.9-177.1179.8176.8-177.60112.2P607 I609 C614 Q615P607-K611 VanDerWaalsContact O-CB 3.24Å; P607-K611 WeakPolarHBondContact O-CB 3.35Å; P607-K611 PolarHBondContact O-N 2.95Å; P607-K611 VanDerWaalsContact O-N 3.09Å; I609-K611 VanDerWaalsContact C-N 3.29Å; I609-K611 PolarHBondContact O-N 3.45Å; K611-C614 PolarHBondContact O-N 3.5Å; K611-Q615 WeakPolarHBondContact O-CG 3.27Å; K611-Q615 PolarHBondContact O-N 3.45Å; K611-Q615 PolarHBondContact O-OE1 3.32Å
612T93.8Very high92.3Very high8 Ų843.5 Ų43.55%0.04924%0.236CC..Hα-helixtrans-61.3-47.8178.6-59.40000111.1V608 I609 F610 C614 Q615 F616 E697 V700 V701V608-T612 WeakPolarHBondContact O-CB 3.36Å; V608-T612 PolarHBondContact O-N 2.97Å; V608-T612 VanDerWaalsContact O-N 3.09Å; V608-T612 PolarHBondContact O-OG1 2.9Å; I609-T612 CarbonylContact O-C 3.56Å; I609-T612 WeakPolarHBondContact O-CA 3.19Å; I609-T612 WeakPolarHBondContact O-CB 3.36Å; I609-T612 PolarHBondContact O-N 2.9Å; F610-T612 VanDerWaalsContact C-N 3.35Å; F610-T612 PolarHBondContact O-N 3.44Å; T612-C614 VanDerWaalsContact C-N 3.34Å; T612-C614 PolarHBondContact O-N 3.31Å; T612-Q615 WeakPolarHBondContact O-CB 3.29Å; T612-Q615 PolarHBondContact O-N 3.33Å; T612-Q615 VanDerWaalsContact O-N 3.15Å; T612-F616 HydrophobicContact CG2-CD2 3.98Å; T612-F616 HydrophobicContact CG2-CE2 3.92Å; T612-F616 WeakPolarHBondContact O-CD2 3.48Å; T612-F616 PolarHBondContact O-N 3.5Å; T612-F616 VanDerWaalsContact O-N 3.08Å; T612-E697 HydrophobicContact CG2-CB 3.99Å; T612-E697 HydrophobicContact CG2-CG 4.31Å; T612-V700 HydrophobicContact CG2-CB 4.28Å; T612-V700 HydrophobicContact CG2-CG1 4.28Å; T612-V701 HydrophobicContact CG2-CG2 3.82Å
613L94Very high92Very high3 Ų340 Ų402%0.01622%0.22CC..Hα-helixtrans-61.3-41.8178-64.3178000111.7M604 I609 F610 Q615 F616 Q617 W656 L666 L670M604-L613 HydrophobicContact CB-CD1 4.41Å; M604-L613 HydrophobicContact CE-CD1 4.5Å; M604-L613 HydrophobicContact CG-CD1 4.21Å; I609-L613 HydrophobicContact CG2-CD1 3.88Å; I609-L613 HydrophobicContact CG2-CG 4.11Å; I609-L613 WeakPolarHBondContact O-CG 3.27Å; I609-L613 PolarHBondContact O-N 3.27Å; F610-L613 PolarHBondContact O-N 2.95Å; L613-Q615 PolarHBondContact O-N 3.45Å; L613-F616 PolarHBondContact O-N 3.2Å; L613-Q617 WeakPolarHBondContact O-CB 3.16Å; L613-Q617 PolarHBondContact O-N 2.86Å; L613-W656 HydrophobicContact CB-CZ2 4.3Å; L613-W656 HydrophobicContact CD2-CH2 4.09Å; L613-W656 HydrophobicContact CD2-CZ2 3.87Å; L613-L666 HydrophobicContact CD1-CD1 4.23Å; L613-L666 HydrophobicContact CD2-CD1 3.92Å; L613-L670 HydrophobicContact CD2-CD2 4.02Å
614C92.4Very high91.6Very high43 Ų4341.6 Ų41.629%0.29123%0.228SC..Hα-helixtrans-61.9-38.1173.8-74.70000113F610 K611 T612 Q617 G618 Q660F610-C614 WeakPolarHBondContact O-CB 3.33Å; F610-C614 PolarHBondContact O-N 3.45Å; F610-C614 PolarHBondContact O-SG 2.84Å; F610-C614 VanDerWaalsContact O-SG 3.34Å; K611-C614 PolarHBondContact O-N 3.5Å; T612-C614 VanDerWaalsContact C-N 3.34Å; T612-C614 PolarHBondContact O-N 3.31Å; C614-Q617 PolarHBondContact O-N 2.73Å; C614-G618 PolarHBondContact O-N 3.48Å; C614-Q660 PolarHBondContact SG-NE2 3.08Å
615Q91.9Very high91.1Very high44 Ų4444.1 Ų44.121%0.20624%0.242CC..Hα-helixtrans-65.9-44.6176.3-72.8167.1-53.300111.6K611 T612 L613 G618 V619 L694 E697K611-Q615 WeakPolarHBondContact O-CG 3.27Å; K611-Q615 PolarHBondContact O-N 3.45Å; K611-Q615 PolarHBondContact O-OE1 3.32Å; T612-Q615 WeakPolarHBondContact O-CB 3.29Å; T612-Q615 PolarHBondContact O-N 3.33Å; T612-Q615 VanDerWaalsContact O-N 3.15Å; L613-Q615 PolarHBondContact O-N 3.45Å; Q615-G618 PolarHBondContact O-N 3.22Å; Q615-V619 WeakPolarHBondContact O-CG2 3.4Å; Q615-V619 PolarHBondContact O-N 2.92Å; Q615-V619 VanDerWaalsContact O-N 3.12Å; Q615-L694 HydrophobicContact CB-CD2 3.91Å; Q615-E697 PolarHBondContact NE2-OE1 3.18Å; Q615-E697 PolarHBondContact OE1-OE1 2.94Å
616F91.8Very high90.4Very high4 Ų439.4 Ų39.42%0.01822%0.218CC..Hα-helixtrans-62.9-42.9174.2-84.6-81.9000111.7T612 L613 G618 V619 L620 W656 L673 L694 E697 W698 V701T612-F616 HydrophobicContact CG2-CD2 3.98Å; T612-F616 HydrophobicContact CG2-CE2 3.92Å; T612-F616 WeakPolarHBondContact O-CD2 3.48Å; T612-F616 PolarHBondContact O-N 3.5Å; T612-F616 VanDerWaalsContact O-N 3.08Å; L613-F616 PolarHBondContact O-N 3.2Å; F616-G618 VanDerWaalsContact C-N 3.35Å; F616-G618 PolarHBondContact O-N 2.86Å; F616-V619 PolarHBondContact O-N 3.27Å; F616-L620 WeakPolarHBondContact O-CG 3.29Å; F616-L620 PolarHBondContact O-N 3.01Å; F616-W656 HydrophobicContact CB-CH2 3.82Å; F616-W656 HydrophobicContact CB-CZ2 3.8Å; F616-W656 HydrophobicContact CG-CH2 4.44Å; F616-L673 HydrophobicContact CD1-CD1 3.63Å; F616-L673 HydrophobicContact CE1-CD1 4.04Å; F616-L673 HydrophobicContact CG-CD1 4.21Å; F616-L694 HydrophobicContact CD1-CD1 3.77Å; F616-L694 HydrophobicContact CE1-CD1 3.54Å; F616-L694 HydrophobicContact CE2-CD1 4.36Å; F616-L694 HydrophobicContact CG-CD1 4.3Å; F616-L694 HydrophobicContact CZ-CD1 3.87Å; F616-E697 HydrophobicContact CE2-CB 3.99Å; F616-W698 HydrophobicContact CE1-CD2 4.3Å; F616-W698 HydrophobicContact CE1-CE3 4.26Å; F616-W698 AromaticContact CE1-CH2 3.71Å; F616-W698 HydrophobicContact CE1-CH2 3.71Å; F616-W698 AromaticContact CE1-CZ2 3.75Å; F616-W698 HydrophobicContact CE1-CZ2 3.75Å; F616-W698 AromaticContact CE1-CZ3 3.96Å; F616-W698 HydrophobicContact CE1-CZ3 3.96Å; F616-W698 AromaticContact CZ-CD2 3.84Å; F616-W698 HydrophobicContact CZ-CD2 3.84Å; F616-W698 AromaticContact CZ-CE2 3.95Å; F616-W698 AromaticContact CZ-CE3 3.88Å; F616-W698 HydrophobicContact CZ-CE3 3.88Å; F616-W698 HydrophobicContact CZ-CG 4.46Å; F616-W698 HydrophobicContact CZ-CH2 4.18Å; F616-W698 HydrophobicContact CZ-CZ2 4.14Å; F616-W698 HydrophobicContact CZ-CZ3 4.04Å; F616-V701 HydrophobicContact CD2-CG2 3.95Å; F616-V701 HydrophobicContact CE2-CB 4.4Å; F616-V701 HydrophobicContact CE2-CG2 3.37Å; F616-V701 HydrophobicContact CZ-CG2 3.94Å
617Q91.9Very high89.3Confident38 Ų3841.4 Ų41.418%0.17824%0.235CC..Hα-helixtrans-55.7-49.5173.8-175.4174.34000111.2L613 C614 V619 L620 S621 W656 S659L613-Q617 WeakPolarHBondContact O-CB 3.16Å; L613-Q617 PolarHBondContact O-N 2.86Å; C614-Q617 PolarHBondContact O-N 2.73Å; Q617-V619 VanDerWaalsContact C-N 3.3Å; Q617-V619 PolarHBondContact O-N 3.43Å; Q617-L620 PolarHBondContact O-N 3.41Å; Q617-L620 VanDerWaalsContact O-N 3.09Å; Q617-S621 WeakPolarHBondContact O-CB 3.34Å; Q617-S621 PolarHBondContact O-N 3.41Å; Q617-S621 PolarHBondContact O-OG 2.88Å; Q617-W656 WeakPolarHBondContact CG-O 3.24Å; Q617-W656 PolarHBondContact NE2-O 2.8Å; Q617-W656 VanDerWaalsContact NE2-O 3.08Å; Q617-S659 PolarHBondContact NE2-O 2.75Å
618G89.3Confident88.2Confident30 Ų3041 Ų4131%0.30924%0.24SC..Hα-helixtrans-59-38.6179.400000113.6C614 Q615 F616 T622C614-G618 PolarHBondContact O-N 3.48Å; Q615-G618 PolarHBondContact O-N 3.22Å; F616-G618 VanDerWaalsContact C-N 3.35Å; F616-G618 PolarHBondContact O-N 2.86Å; G618-T622 WeakPolarHBondContact O-CB 3.35Å; G618-T622 PolarHBondContact O-N 3.08Å; G618-T622 PolarHBondContact O-OG1 3.17Å
619V88.6Confident87Confident2 Ų246.8 Ų46.81%0.01226%0.262CS..Hα-helixtrans-63-48.7173170.20000110.7Q615 F616 Q617 T622 L623 I684 L691 P692 L694Q615-V619 WeakPolarHBondContact O-CG2 3.4Å; Q615-V619 PolarHBondContact O-N 2.92Å; Q615-V619 VanDerWaalsContact O-N 3.12Å; F616-V619 PolarHBondContact O-N 3.27Å; Q617-V619 VanDerWaalsContact C-N 3.3Å; Q617-V619 PolarHBondContact O-N 3.43Å; V619-T622 PolarHBondContact O-N 2.85Å; V619-L623 HydrophobicContact CG1-CD1 3.86Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.3Å; V619-L623 PolarHBondContact O-N 3.43Å; V619-I684 HydrophobicContact CG1-CD1 4.35Å; V619-I684 HydrophobicContact CG1-CG1 4.39Å; V619-L691 HydrophobicContact CB-CD2 4.17Å; V619-L691 HydrophobicContact CG1-CD2 4.08Å; V619-L691 HydrophobicContact CG2-CD2 4Å; V619-P692 HydrophobicContact CG2-CG 3.79Å; V619-L694 HydrophobicContact CG2-CD1 4.03Å; V619-L694 HydrophobicContact CG2-CG 4.41Å
620L89.5Confident85.7Confident5 Ų551.6 Ų51.63%0.02628%0.283CS..Hα-helixtrans-64.8-43.8-179.7-66.7178.2000112.4F616 Q617 T622 L623 L624 V653 W656 A657F616-L620 WeakPolarHBondContact O-CG 3.29Å; F616-L620 PolarHBondContact O-N 3.01Å; Q617-L620 PolarHBondContact O-N 3.41Å; Q617-L620 VanDerWaalsContact O-N 3.09Å; L620-T622 VanDerWaalsContact C-N 3.33Å; L620-T622 PolarHBondContact O-N 2.78Å; L620-L623 PolarHBondContact O-N 3.43Å; L620-L624 WeakPolarHBondContact O-CB 3.38Å; L620-L624 PolarHBondContact O-N 2.96Å; L620-V653 HydrophobicContact CD1-CG1 3.94Å; L620-V653 HydrophobicContact CD2-CG1 3.52Å; L620-V653 HydrophobicContact CG-CG1 4.26Å; L620-W656 HydrophobicContact CD1-CB 4.23Å; L620-W656 HydrophobicContact CD1-CD2 3.87Å; L620-W656 HydrophobicContact CD1-CE3 3.74Å; L620-W656 HydrophobicContact CD1-CG 4.13Å; L620-W656 HydrophobicContact CD1-CZ3 4.43Å; L620-A657 HydrophobicContact CB-CB 4.15Å
621S89.2Confident84.4Confident33 Ų3355 Ų5523%0.23129%0.293CS..Hα-helixtrans-61.1-41.5175.4-53.70000111.3Q617 L623 L625 A657Q617-S621 WeakPolarHBondContact O-CB 3.34Å; Q617-S621 PolarHBondContact O-N 3.41Å; Q617-S621 PolarHBondContact O-OG 2.88Å; S621-L623 PolarHBondContact O-N 3.17Å; S621-L625 CarbonylContact O-C 3.21Å; S621-L625 VanDerWaalsContact O-CA 3.22Å; S621-L625 WeakPolarHBondContact O-CA 3.37Å; S621-L625 WeakPolarHBondContact O-CB 3.49Å; S621-L625 PolarHBondContact O-N 3.07Å; S621-A657 PolarHBondContact OG-O 2.89Å
622T86.6Confident83.2Confident46 Ų4652 Ų5228%0.28230%0.3SS..Hα-helixtrans-65.9-39.3177.7-57.60000112G618 V619 L620 Y634 L691G618-T622 WeakPolarHBondContact O-CB 3.35Å; G618-T622 PolarHBondContact O-N 3.08Å; G618-T622 PolarHBondContact O-OG1 3.17Å; V619-T622 PolarHBondContact O-N 2.85Å; L620-T622 VanDerWaalsContact C-N 3.33Å; L620-T622 PolarHBondContact O-N 2.78Å; T622-Y634 HydrophobicContact CG2-CE2 4.35Å; T622-L691 HydrophobicContact CG2-CD2 4.01Å
623L85Confident82.2Confident3 Ų356.9 Ų56.92%0.01633%0.325CS..Hα-helixtrans-74.2-44.9-179.9-70.5172.9000112.5V619 L620 S621 Y634 H637 A638 L641 I683 L691V619-L623 HydrophobicContact CG1-CD1 3.86Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.3Å; V619-L623 PolarHBondContact O-N 3.43Å; L620-L623 PolarHBondContact O-N 3.43Å; S621-L623 PolarHBondContact O-N 3.17Å; L623-Y634 HydrophobicContact CD2-CD1 4.08Å; L623-H637 HydrophobicContact CD2-CB 4.3Å; L623-A638 WeakPolarHBondContact O-CB 3.29Å; L623-L641 HydrophobicContact CD1-CD2 4.47Å; L623-I683 HydrophobicContact CD1-CG2 4.1Å; L623-I683 HydrophobicContact CD2-CG2 3.66Å; L623-L691 HydrophobicContact CD2-CD1 4.28Å
624L86Confident81.4Confident34 Ų3456.9 Ų56.918%0.17833%0.325CS..Hα-helixtrans-96.3-25-170.9-61.1-178.6000113.8L620 A638 L642 V653 K654 A657L620-L624 WeakPolarHBondContact O-CB 3.38Å; L620-L624 PolarHBondContact O-N 2.96Å; L624-A638 HydrophobicContact CD2-CB 4.18Å; L624-L642 HydrophobicContact CD2-CD1 4.06Å; L624-L642 HydrophobicContact CD2-CD2 4.18Å; L624-L642 HydrophobicContact CD2-CG 4.11Å; L624-V653 HydrophobicContact CD1-CG1 3.81Å; L624-K654 HydrophobicContact CD1-CG 4.13Å; L624-A657 HydrophobicContact CB-CB 4.26Å; L624-A657 HydrophobicContact CD1-CB 4.18Å
625L83.8Confident80.7Confident78 Ų7860.6 Ų60.641%0.40834%0.338SS..SBendtrans-12552.6179.5-58.3166.8000111.4S621 A657 H658S621-L625 CarbonylContact O-C 3.21Å; S621-L625 VanDerWaalsContact O-CA 3.22Å; S621-L625 WeakPolarHBondContact O-CA 3.37Å; S621-L625 WeakPolarHBondContact O-CB 3.49Å; S621-L625 PolarHBondContact O-N 3.07Å; L625-A657 HydrophobicContact CD1-CB 4.1Å; L625-H658 WeakPolarHBondContact CD1-CE1 3.49Å; L625-H658 WeakPolarHBondContact CD1-ND1 3.45Å; L625-H658 VanDerWaalsContact CD2-CE1 3.48Å; L625-H658 WeakPolarHBondContact CD2-CE1 3.03Å
626P77.9Confident80.3Confident20 Ų2064.8 Ų64.813%0.1336%0.357CS..  trans-65.7144.3-177.926.6-33.5000111.4R631 Y634P626-R631 HydrophobicContact CG-CG 4.05Å; P626-Y634 HydrophobicContact CB-CD2 4.07Å
627P72.9Confident79.8Confident80 Ų8066.3 Ų66.352%0.51937%0.365SS..  trans-53.9147.5171.3-2331.7000111.3Q629 K630 R631P627-Q629 PolarHBondContact O-N 2.8Å; P627-K630 PolarHBondContact O-N 2.98Å; P627-R631 PolarHBondContact O-N 3.31Å
628A69.9Low79.4Confident89 Ų8965.1 Ų65.174%0.73636%0.361SS*.G310 helixtrans-50.1-34.1-17400000113.9K630A628-K630 PolarHBondContact O-N 3.29Å
629Q68.6Low79.2Confident187 Ų18770.5 Ų70.587%0.87437%0.372SS*.G310 helixtrans-72.6-22.3179.8-64.8157.9-4.100114.2P627P627-Q629 PolarHBondContact O-N 2.8Å
630K67.4Low79.1Confident105 Ų10575.3 Ų75.346%0.45739%0.393SS..G310 helixtrans-113.28.7-177.1-64.3-175.4179.8179.80113.3P627 A628 G632 L633 Y634P627-K630 PolarHBondContact O-N 2.98Å; A628-K630 PolarHBondContact O-N 3.29Å; K630-G632 VanDerWaalsContact C-N 3.31Å; K630-G632 PolarHBondContact O-N 3.41Å; K630-L633 PolarHBondContact O-N 2.95Å; K630-L633 VanDerWaalsContact O-N 3.15Å; K630-Y634 HydrophobicContact CB-CD2 4.28Å; K630-Y634 HydrophobicContact CB-CE2 4.08Å; K630-Y634 HydrophobicContact CD-CE2 4.35Å
631R68.1Low78.9Confident169 Ų16975.3 Ų75.364%0.63839%0.392SS*.Hα-helixtrans-56.3-42.9-175.2-134.7179.5-154.9164.15.5112.6P626 P627 L633 H635P626-R631 HydrophobicContact CG-CG 4.05Å; P627-R631 PolarHBondContact O-N 3.31Å; R631-L633 VanDerWaalsContact C-N 3.35Å; R631-L633 PolarHBondContact O-N 2.94Å; R631-H635 VanDerWaalsContact O-CB 3.3Å; R631-H635 WeakPolarHBondContact O-CB 3.42Å; R631-H635 PolarHBondContact O-N 3.23Å
632G68.5Low78.9Confident71 Ų7175.1 Ų75.173%0.73239%0.389SS*.Hα-helixtrans-67.3-29.9-179.800000114.6K630K630-G632 VanDerWaalsContact C-N 3.31Å; K630-G632 PolarHBondContact O-N 3.41Å
633L73.3Confident79Confident110 Ų11078.9 Ų78.958%0.57640%0.403SS*.Hα-helixtrans-70.8-41.1-175.9-166.372.4000111.8K630 R631K630-L633 PolarHBondContact O-N 2.95Å; K630-L633 VanDerWaalsContact O-N 3.15Å; R631-L633 VanDerWaalsContact C-N 3.35Å; R631-L633 PolarHBondContact O-N 2.94Å
634Y75.8Confident79.1Confident4 Ų481 Ų812%0.01642%0.418CS..Hα-helixtrans-97.7-12-176.4-60.1-69.5000113.9T622 L623 P626 K630 H636 H637 A638 S690 L691T622-Y634 HydrophobicContact CG2-CE2 4.35Å; L623-Y634 HydrophobicContact CD2-CD1 4.08Å; P626-Y634 HydrophobicContact CB-CD2 4.07Å; K630-Y634 HydrophobicContact CB-CD2 4.28Å; K630-Y634 HydrophobicContact CB-CE2 4.08Å; K630-Y634 HydrophobicContact CD-CE2 4.35Å; Y634-H636 VanDerWaalsContact C-N 3.3Å; Y634-H636 PolarHBondContact O-N 3.39Å; Y634-H637 PolarHBondContact O-N 3.37Å; Y634-H637 VanDerWaalsContact O-N 3.09Å; Y634-A638 WeakPolarHBondContact O-CB 3.44Å; Y634-A638 PolarHBondContact O-N 2.73Å; Y634-S690 PolarHBondContact OH-OG 2.9Å; Y634-L691 HydrophobicContact CE1-CD1 4.42Å
635H79.1Confident79.2Confident121 Ų12180 Ų8056%0.5641%0.413SS*.Hα-helixtrans-56-42.7-176.6-174.3-94.4000112.7R631 R639R631-H635 VanDerWaalsContact O-CB 3.3Å; R631-H635 WeakPolarHBondContact O-CB 3.42Å; R631-H635 PolarHBondContact O-N 3.23Å; H635-R639 WeakPolarHBondContact O-CB 3.44Å; H635-R639 PolarHBondContact O-N 2.97Å
636H82.1Confident79.5Confident131 Ų13180 Ų8061%0.60642%0.416SS*.Hα-helixtrans-65.2-43.7177.1179.2-97.3000112Y634 R639 K640Y634-H636 VanDerWaalsContact C-N 3.3Å; Y634-H636 PolarHBondContact O-N 3.39Å; H636-R639 PolarHBondContact O-N 3.43Å; H636-K640 WeakPolarHBondContact O-CB 3.29Å; H636-K640 PolarHBondContact O-N 3.13Å
637H83.1Confident79.8Confident37 Ų3787.1 Ų87.117%0.17145%0.445CS..Hα-helixtrans-67-44.4178.9-65.7-75.6000112.6L623 Y634 R639 K640 L641 I683 T686L623-H637 HydrophobicContact CD2-CB 4.3Å; Y634-H637 PolarHBondContact O-N 3.37Å; Y634-H637 VanDerWaalsContact O-N 3.09Å; H637-R639 VanDerWaalsContact C-N 3.35Å; H637-R639 PolarHBondContact O-N 3.21Å; H637-K640 PolarHBondContact O-N 3.06Å; H637-L641 PolarHBondContact O-N 2.81Å; H637-I683 HydrophobicContact CB-CG1 4.3Å; H637-I683 HydrophobicContact CB-CG2 3.81Å; H637-T686 PolarHBondContact CE1-OG1 3.26Å; H637-T686 VanDerWaalsContact CE1-OG1 3.24Å
638A82.9Confident80.2Confident12 Ų1285.6 Ų85.610%0.09944%0.436CS..Hα-helixtrans-60.7-44.9175.200000111.2L623 L624 Y634 L641 L642L623-A638 WeakPolarHBondContact O-CB 3.29Å; L624-A638 HydrophobicContact CD2-CB 4.18Å; Y634-A638 WeakPolarHBondContact O-CB 3.44Å; Y634-A638 PolarHBondContact O-N 2.73Å; A638-L641 PolarHBondContact O-N 3.26Å; A638-L642 WeakPolarHBondContact O-CB 3.4Å; A638-L642 VanDerWaalsContact O-CG 3.28Å; A638-L642 WeakPolarHBondContact O-CG 3.45Å; A638-L642 PolarHBondContact O-N 2.68Å
639R85.5Confident81Confident143 Ų14382.2 Ų82.254%0.5441%0.405SS..Hα-helixtrans-63-44.7176.7-169.1176.2166112.73.9111H635 H636 H637 L641 L642 H643H635-R639 WeakPolarHBondContact O-CB 3.44Å; H635-R639 PolarHBondContact O-N 2.97Å; H636-R639 PolarHBondContact O-N 3.43Å; H637-R639 VanDerWaalsContact C-N 3.35Å; H637-R639 PolarHBondContact O-N 3.21Å; R639-L641 PolarHBondContact O-N 3.12Å; R639-L642 PolarHBondContact O-N 3.43Å; R639-H643 WeakPolarHBondContact CG-CE1 3.32Å; R639-H643 WeakPolarHBondContact CG-ND1 3.39Å; R639-H643 PolarHBondContact NE-CE1 3.43Å; R639-H643 VanDerWaalsContact NE-CE1 3.29Å; R639-H643 PolarHBondContact NH2-NE2 3.06Å; R639-H643 WeakPolarHBondContact O-CB 3.46Å; R639-H643 PolarHBondContact O-N 2.93Å; R639-H643 PolarHBondContact O-ND1 3.15Å
640K86.4Confident81.9Confident104 Ų10475.5 Ų75.545%0.45237%0.374SS..Hα-helixtrans-59.1-44.9176.7-168.4-177.1-178.5-172.60111.9H636 H637 S644 L679H636-K640 WeakPolarHBondContact O-CB 3.29Å; H636-K640 PolarHBondContact O-N 3.13Å; H637-K640 PolarHBondContact O-N 3.06Å; K640-S644 PolarHBondContact O-N 3.15Å; K640-L679 HydrophobicContact CD-CD1 3.93Å; K640-L679 HydrophobicContact CG-CD1 4.15Å
641L85.4Confident82.7Confident4 Ų472.9 Ų72.92%0.02137%0.365CS..Hα-helixtrans-62.4-52.4175.5179.862.6000111.2L623 H637 A638 R639 H643 S644 L645 L679 I680 I683L623-L641 HydrophobicContact CD1-CD2 4.47Å; H637-L641 PolarHBondContact O-N 2.81Å; A638-L641 PolarHBondContact O-N 3.26Å; R639-L641 PolarHBondContact O-N 3.12Å; L641-H643 VanDerWaalsContact C-N 3.33Å; L641-H643 PolarHBondContact O-N 3.04Å; L641-S644 PolarHBondContact O-N 3.47Å; L641-S644 VanDerWaalsContact O-N 3.09Å; L641-S644 PolarHBondContact O-OG 2.93Å; L641-L645 HydrophobicContact CD1-CD1 4.3Å; L641-L645 HydrophobicContact CG-CD1 4.09Å; L641-L645 WeakPolarHBondContact O-CG 3.46Å; L641-L645 PolarHBondContact O-N 3.08Å; L641-L679 HydrophobicContact CD1-CD2 4.21Å; L641-I680 HydrophobicContact CD1-CG1 3.97Å; L641-I683 HydrophobicContact CB-CD1 4.05Å
642L87.6Confident83.5Confident30 Ų3066.1 Ų66.116%0.15734%0.339CS..Hα-helixtrans-62.3-36.5-177.7-69.2173.2000112.9L624 A638 R639 S644 L645 Q650L624-L642 HydrophobicContact CD2-CD1 4.06Å; L624-L642 HydrophobicContact CD2-CD2 4.18Å; L624-L642 HydrophobicContact CD2-CG 4.11Å; A638-L642 WeakPolarHBondContact O-CB 3.4Å; A638-L642 VanDerWaalsContact O-CG 3.28Å; A638-L642 WeakPolarHBondContact O-CG 3.45Å; A638-L642 PolarHBondContact O-N 2.68Å; R639-L642 PolarHBondContact O-N 3.43Å; L642-S644 PolarHBondContact O-N 2.98Å; L642-L645 PolarHBondContact O-N 2.88Å; L642-Q650 HydrophobicContact CB-CG 4.36Å; L642-Q650 HydrophobicContact CD2-CB 3.95Å; L642-Q650 HydrophobicContact CD2-CG 3.79Å; L642-Q650 PolarHBondContact O-NE2 3.5Å
643H88.7Confident84.5Confident125 Ų12562.9 Ų62.958%0.57931%0.305SS*.Hα-helixtrans-67.2-24.3177.4-77.160.2000113R639 L641 L645R639-H643 WeakPolarHBondContact CG-CE1 3.32Å; R639-H643 WeakPolarHBondContact CG-ND1 3.39Å; R639-H643 PolarHBondContact NE-CE1 3.43Å; R639-H643 VanDerWaalsContact NE-CE1 3.29Å; R639-H643 PolarHBondContact NH2-NE2 3.06Å; R639-H643 WeakPolarHBondContact O-CB 3.46Å; R639-H643 PolarHBondContact O-N 2.93Å; R639-H643 PolarHBondContact O-ND1 3.15Å; L641-H643 VanDerWaalsContact C-N 3.33Å; L641-H643 PolarHBondContact O-N 3.04Å; H643-L645 VanDerWaalsContact C-N 3.34Å
644S88.1Confident85.2Confident48 Ų4861.5 Ų61.534%0.33630%0.295SS..Hα-helixtrans-81.7-15.2176.373.70000113.7K640 L641 L642 H676 L679K640-S644 PolarHBondContact O-N 3.15Å; L641-S644 PolarHBondContact O-N 3.47Å; L641-S644 VanDerWaalsContact O-N 3.09Å; L641-S644 PolarHBondContact O-OG 2.93Å; L642-S644 PolarHBondContact O-N 2.98Å; S644-H676 PolarHBondContact O-CE1 2.85Å; S644-L679 VanDerWaalsContact OG-CD2 3.24Å; S644-L679 WeakPolarHBondContact OG-CD2 3.17Å
645L89Confident85.7Confident12 Ų1265.1 Ų65.16%0.06331%0.314CS..SBendtrans-98.6143.6-175.6-65.3170.1000110.7L641 L642 H643 E649 Q650 V653 H676L641-L645 HydrophobicContact CD1-CD1 4.3Å; L641-L645 HydrophobicContact CG-CD1 4.09Å; L641-L645 WeakPolarHBondContact O-CG 3.46Å; L641-L645 PolarHBondContact O-N 3.08Å; L642-L645 PolarHBondContact O-N 2.88Å; H643-L645 VanDerWaalsContact C-N 3.34Å; L645-E649 HydrophobicContact CB-CB 4.04Å; L645-E649 HydrophobicContact CD2-CB 4.05Å; L645-Q650 HydrophobicContact CB-CG 3.67Å; L645-Q650 HydrophobicContact CD1-CG 4.49Å; L645-Q650 PolarHBondContact O-NE2 2.83Å; L645-V653 HydrophobicContact CD1-CG2 4.2Å; L645-H676 WeakPolarHBondContact CD2-CD2 3.49Å; L645-H676 WeakPolarHBondContact CD2-NE2 3.37Å
646T88.6Confident86.2Confident79 Ų7959.4 Ų59.449%0.48529%0.288SS..  trans-63.2159.1167.863.70000110.9S648 E649 Q650T646-S648 VanDerWaalsContact C-N 3.26Å; T646-S648 PolarHBondContact O-N 2.84Å; T646-E649 WeakPolarHBondContact CB-OE2 3.36Å; T646-E649 WeakPolarHBondContact CG2-OE2 3.28Å; T646-E649 PolarHBondContact N-OE2 3.42Å; T646-E649 PolarHBondContact O-N 3.36Å; T646-E649 WeakPolarHBondContact OG1-CB 3.31Å; T646-E649 WeakPolarHBondContact OG1-CG 3.47Å; T646-E649 PolarHBondContact OG1-N 2.72Å; T646-E649 PolarHBondContact OG1-OE2 2.98Å; T646-Q650 WeakPolarHBondContact O-CG 3.18Å; T646-Q650 PolarHBondContact O-N 3.4Å
647K85.3Confident86.5Confident168 Ų16853.4 Ų53.473%0.7326%0.26SS*.Hα-helixtrans-54.4-42.1-179.8-169.2173.5-178.1177.50112.7Q650 D651K647-Q650 PolarHBondContact O-N 3.41Å; K647-D651 PolarHBondContact O-N 2.87Å; K647-D651 VanDerWaalsContact O-N 3.15Å
648S81.4Confident86.7Confident48 Ų4858 Ų5834%0.33628%0.281SS..Hα-helixtrans-65-41.2177-1750000112.4T646 D651 R652T646-S648 VanDerWaalsContact C-N 3.26Å; T646-S648 PolarHBondContact O-N 2.84Å; S648-D651 PolarHBondContact O-N 3.07Å; S648-R652 WeakPolarHBondContact O-CG 3.32Å; S648-R652 PolarHBondContact O-N 3.11Å; S648-R652 PolarHBondContact OG-NH1 3.41Å
649E86.3Confident86.8Confident19 Ų1960.1 Ų60.19%0.08930%0.296CS..Hα-helixtrans-67.5-41.7175.5-70.4164.1151.600112.1L645 T646 D651 R652 V653L645-E649 HydrophobicContact CB-CB 4.04Å; L645-E649 HydrophobicContact CD2-CB 4.05Å; T646-E649 WeakPolarHBondContact CB-OE2 3.36Å; T646-E649 WeakPolarHBondContact CG2-OE2 3.28Å; T646-E649 PolarHBondContact N-OE2 3.42Å; T646-E649 PolarHBondContact O-N 3.36Å; T646-E649 WeakPolarHBondContact OG1-CB 3.31Å; T646-E649 WeakPolarHBondContact OG1-CG 3.47Å; T646-E649 PolarHBondContact OG1-N 2.72Å; T646-E649 PolarHBondContact OG1-OE2 2.98Å; E649-D651 VanDerWaalsContact C-N 3.28Å; E649-D651 PolarHBondContact O-N 3.44Å; E649-R652 PolarHBondContact O-N 2.81Å; E649-V653 VanDerWaalsContact O-CG2 3.28Å; E649-V653 WeakPolarHBondContact O-CG2 2.96Å; E649-V653 PolarHBondContact O-N 2.96Å
650Q88.3Confident86.8Confident45 Ų4556 Ų5621%0.2128%0.282CS..Hα-helixtrans-56.2-45.6176.3-69.617734.300111.3L642 L645 T646 K647 V653 K654L642-Q650 HydrophobicContact CB-CG 4.36Å; L642-Q650 HydrophobicContact CD2-CB 3.95Å; L642-Q650 HydrophobicContact CD2-CG 3.79Å; L642-Q650 PolarHBondContact O-NE2 3.5Å; L645-Q650 HydrophobicContact CB-CG 3.67Å; L645-Q650 HydrophobicContact CD1-CG 4.49Å; L645-Q650 PolarHBondContact O-NE2 2.83Å; T646-Q650 WeakPolarHBondContact O-CG 3.18Å; T646-Q650 PolarHBondContact O-N 3.4Å; K647-Q650 PolarHBondContact O-N 3.41Å; Q650-V653 PolarHBondContact O-N 3.22Å; Q650-K654 WeakPolarHBondContact O-CB 3.41Å; Q650-K654 VanDerWaalsContact O-CG 3.22Å; Q650-K654 WeakPolarHBondContact O-CG 3.43Å; Q650-K654 PolarHBondContact O-N 2.97Å
651D83.7Confident86.8Confident50 Ų5051.3 Ų51.327%0.26726%0.263SS..Hα-helixtrans-64.9-41.9-178.7-75.8-14.1000112.2K647 S648 E649 K654 L655 P921K647-D651 PolarHBondContact O-N 2.87Å; K647-D651 VanDerWaalsContact O-N 3.15Å; S648-D651 PolarHBondContact O-N 3.07Å; E649-D651 VanDerWaalsContact C-N 3.28Å; E649-D651 PolarHBondContact O-N 3.44Å; D651-K654 PolarHBondContact O-N 3.48Å; D651-L655 WeakPolarHBondContact O-CB 3.48Å; D651-L655 PolarHBondContact O-N 2.96Å; D651-P921 HydrophobicContact CB-CG 3.49Å; D651-P921 VanDerWaalsContact CB-CG 3.49Å
652R85.2Confident86.8Confident27 Ų2754.5 Ų54.510%0.10228%0.283CS..Hα-helixtrans-64.5-44.2175.2-68.7-170.2-71.3-89-1.3112.2S648 E649 K654 L655 W656 L669S648-R652 WeakPolarHBondContact O-CG 3.32Å; S648-R652 PolarHBondContact O-N 3.11Å; S648-R652 PolarHBondContact OG-NH1 3.41Å; E649-R652 PolarHBondContact O-N 2.81Å; R652-K654 VanDerWaalsContact C-N 3.34Å; R652-K654 PolarHBondContact O-N 3.07Å; R652-L655 WeakPolarHBondContact O-CB 3.25Å; R652-L655 PolarHBondContact O-N 2.9Å; R652-W656 PolarHBondContact O-N 2.95Å; R652-L669 HydrophobicContact CB-CD1 4.44Å; R652-L669 HydrophobicContact CB-CD2 3.39Å; R652-L669 HydrophobicContact CB-CG 3.91Å
653V88.1Confident86.9Confident3 Ų354.7 Ų54.72%0.01828%0.281CS..Hα-helixtrans-66.2-38.4180176.70000110.9L620 L624 L645 E649 Q650 W656 A657 L669L620-V653 HydrophobicContact CD1-CG1 3.94Å; L620-V653 HydrophobicContact CD2-CG1 3.52Å; L620-V653 HydrophobicContact CG-CG1 4.26Å; L624-V653 HydrophobicContact CD1-CG1 3.81Å; L645-V653 HydrophobicContact CD1-CG2 4.2Å; E649-V653 VanDerWaalsContact O-CG2 3.28Å; E649-V653 WeakPolarHBondContact O-CG2 2.96Å; E649-V653 PolarHBondContact O-N 2.96Å; Q650-V653 PolarHBondContact O-N 3.22Å; V653-W656 PolarHBondContact O-N 3.08Å; V653-A657 PolarHBondContact O-N 2.64Å; V653-A657 VanDerWaalsContact O-N 3.09Å; V653-L669 HydrophobicContact CG2-CD2 4.14Å
654K87.9Confident86.8Confident82 Ų8250.8 Ų50.836%0.35727%0.265SS..Hα-helixtrans-62.7-43.1171.8-73.9169.7-171166.80111.8L624 Q650 D651 R652 W656 A657 H658L624-K654 HydrophobicContact CD1-CG 4.13Å; Q650-K654 WeakPolarHBondContact O-CB 3.41Å; Q650-K654 VanDerWaalsContact O-CG 3.22Å; Q650-K654 WeakPolarHBondContact O-CG 3.43Å; Q650-K654 PolarHBondContact O-N 2.97Å; D651-K654 PolarHBondContact O-N 3.48Å; R652-K654 VanDerWaalsContact C-N 3.34Å; R652-K654 PolarHBondContact O-N 3.07Å; K654-W656 VanDerWaalsContact C-N 3.33Å; K654-W656 PolarHBondContact O-N 3.22Å; K654-A657 WeakPolarHBondContact O-CB 3.06Å; K654-A657 PolarHBondContact O-N 3.17Å; K654-H658 PolarHBondContact O-CD2 3.42Å; K654-H658 VanDerWaalsContact O-CD2 3.24Å
655L86.5Confident86.8Confident79 Ų7949.8 Ų49.841%0.41426%0.255SS..Hα-helixtrans-60.6-45.2177.3-173.467.9000111D651 R652 A657 H658 S659 L665D651-L655 WeakPolarHBondContact O-CB 3.48Å; D651-L655 PolarHBondContact O-N 2.96Å; R652-L655 WeakPolarHBondContact O-CB 3.25Å; R652-L655 PolarHBondContact O-N 2.9Å; L655-A657 VanDerWaalsContact C-N 3.27Å; L655-A657 PolarHBondContact O-N 3.04Å; L655-H658 PolarHBondContact O-N 2.89Å; L655-S659 PolarHBondContact O-N 3.06Å; L655-L665 HydrophobicContact CD2-CD1 4.14Å
656W90.1Very high87Confident2 Ų249.2 Ų49.21%0.00825%0.253CS..Hα-helixtrans-62.1-36178-1694.8000112.5L613 F616 Q617 L620 R652 V653 K654 H658 S659 P661 L669 L670 L673L613-W656 HydrophobicContact CB-CZ2 4.3Å; L613-W656 HydrophobicContact CD2-CH2 4.09Å; L613-W656 HydrophobicContact CD2-CZ2 3.87Å; F616-W656 HydrophobicContact CB-CH2 3.82Å; F616-W656 HydrophobicContact CB-CZ2 3.8Å; F616-W656 HydrophobicContact CG-CH2 4.44Å; Q617-W656 WeakPolarHBondContact CG-O 3.24Å; Q617-W656 PolarHBondContact NE2-O 2.8Å; Q617-W656 VanDerWaalsContact NE2-O 3.08Å; L620-W656 HydrophobicContact CD1-CB 4.23Å; L620-W656 HydrophobicContact CD1-CD2 3.87Å; L620-W656 HydrophobicContact CD1-CE3 3.74Å; L620-W656 HydrophobicContact CD1-CG 4.13Å; L620-W656 HydrophobicContact CD1-CZ3 4.43Å; R652-W656 PolarHBondContact O-N 2.95Å; V653-W656 PolarHBondContact O-N 3.08Å; K654-W656 VanDerWaalsContact C-N 3.33Å; K654-W656 PolarHBondContact O-N 3.22Å; W656-H658 PolarHBondContact O-N 2.92Å; W656-H658 VanDerWaalsContact O-N 3.11Å; W656-S659 CarbonylContact C-O 3.58Å; W656-S659 WeakPolarHBondContact CA-O 3.4Å; W656-S659 PolarHBondContact O-N 3.01Å; W656-P661 HydrophobicContact CD2-CG 4.36Å; W656-L669 HydrophobicContact CB-CD1 4.46Å; W656-L669 HydrophobicContact CE3-CB 4.28Å; W656-L669 HydrophobicContact CE3-CD1 4.14Å; W656-L669 HydrophobicContact CE3-CD2 4.11Å; W656-L669 HydrophobicContact CE3-CG 4.43Å; W656-L669 HydrophobicContact CZ3-CB 4.27Å; W656-L670 HydrophobicContact CH2-CD2 3.64Å; W656-L670 HydrophobicContact CZ3-CD2 4.05Å; W656-L673 HydrophobicContact CE3-CD1 4.25Å; W656-L673 HydrophobicContact CH2-CD1 3.75Å; W656-L673 HydrophobicContact CZ3-CD1 3.3Å; W656-L673 HydrophobicContact CZ3-CG 4.19Å
657A88.4Confident87.3Confident4 Ų446.9 Ų46.93%0.03324%0.235CC..Hα-helixtrans-59.6-23.2174.800000113.5L620 S621 L624 L625 V653 K654 L655L620-A657 HydrophobicContact CB-CB 4.15Å; S621-A657 PolarHBondContact OG-O 2.89Å; L624-A657 HydrophobicContact CB-CB 4.26Å; L624-A657 HydrophobicContact CD1-CB 4.18Å; L625-A657 HydrophobicContact CD1-CB 4.1Å; V653-A657 PolarHBondContact O-N 2.64Å; V653-A657 VanDerWaalsContact O-N 3.09Å; K654-A657 WeakPolarHBondContact O-CB 3.06Å; K654-A657 PolarHBondContact O-N 3.17Å; L655-A657 VanDerWaalsContact C-N 3.27Å; L655-A657 PolarHBondContact O-N 3.04Å
658H87.1Confident87.6Confident133 Ų13339.5 Ų39.562%0.61620%0.204SC*.Hα-helixtrans-94.6-39.1176.1-72.4-74.9000113.6L625 K654 L655 W656L625-H658 WeakPolarHBondContact CD1-CE1 3.49Å; L625-H658 WeakPolarHBondContact CD1-ND1 3.45Å; L625-H658 VanDerWaalsContact CD2-CE1 3.48Å; L625-H658 WeakPolarHBondContact CD2-CE1 3.03Å; K654-H658 PolarHBondContact O-CD2 3.42Å; K654-H658 VanDerWaalsContact O-CD2 3.24Å; L655-H658 PolarHBondContact O-N 2.89Å; W656-H658 PolarHBondContact O-N 2.92Å; W656-H658 VanDerWaalsContact O-N 3.11Å
659S85.9Confident88.1Confident57 Ų5737.3 Ų37.340%0.39919%0.189SC..SBendtrans-148.2159.9-175.4620000111.3Q617 L655 W656Q617-S659 PolarHBondContact NE2-O 2.75Å; L655-S659 PolarHBondContact O-N 3.06Å; W656-S659 CarbonylContact C-O 3.58Å; W656-S659 WeakPolarHBondContact CA-O 3.4Å; W656-S659 PolarHBondContact O-N 3.01Å
660Q84.5Confident88.4Confident56 Ų5636.4 Ų36.426%0.26219%0.185SC..PPolyproline II helixtrans-58.3148.7173.4-73.4-68.6-20.900110.9C614C614-Q660 PolarHBondContact SG-NE2 3.08Å
661P86.8Confident88.7Confident6 Ų636.6 Ų36.64%0.03919%0.187CC..PPolyproline II helixtrans-72.6146.5-179.432.9-32.5000109.6M604 W656 L666 L669M604-P661 WeakPolarHBondContact CE-O 3.26Å; W656-P661 HydrophobicContact CD2-CG 4.36Å; P661-L666 HydrophobicContact CG-CD1 3.82Å; P661-L669 HydrophobicContact CB-CD1 3.42Å; P661-L669 VanDerWaalsContact CB-CD1 3.42Å; P661-L669 HydrophobicContact CG-CD1 4.36Å
662T86.1Confident89.1Confident71 Ų7134.4 Ų34.444%0.43618%0.175SC..PPolyproline II helixtrans-73.7158.7171.553.20000110.8N664 L665 L666T662-N664 VanDerWaalsContact C-N 3.26Å; T662-N664 VanDerWaalsContact CB-OD1 3.25Å; T662-N664 WeakPolarHBondContact CB-OD1 3.23Å; T662-N664 PolarHBondContact O-N 2.91Å; T662-N664 PolarHBondContact OG1-OD1 3.38Å; T662-L665 PolarHBondContact O-N 2.85Å; T662-L666 PolarHBondContact O-N 3.44Å; T662-L666 VanDerWaalsContact O-N 3.08Å
663W89Confident89.4Confident35 Ų3533.4 Ų33.413%0.13317%0.172CC..Hα-helixtrans-52.4-42.3-175.971.4-94.3000113.2F593 V596 Q597 V600 E601 L665 L666 F916F593-W663 HydrophobicContact CB-CH2 4.3Å; F593-W663 HydrophobicContact CD2-CH2 4.39Å; F593-W663 HydrophobicContact CG-CH2 4.36Å; V596-W663 HydrophobicContact CG1-CE3 4.39Å; V596-W663 HydrophobicContact CG1-CZ3 4.05Å; Q597-W663 HydrophobicContact CB-CD2 3.85Å; Q597-W663 HydrophobicContact CB-CE3 4.47Å; Q597-W663 HydrophobicContact CB-CG 4.02Å; Q597-W663 HydrophobicContact CB-CZ2 4.14Å; Q597-W663 VanDerWaalsContact CD-CD1 3.42Å; Q597-W663 HydrophobicContact CG-CD2 4.19Å; Q597-W663 HydrophobicContact CG-CG 3.84Å; Q597-W663 VanDerWaalsContact OE1-NE1 3.13Å; V600-W663 HydrophobicContact CB-CB 4.08Å; V600-W663 HydrophobicContact CG1-CB 3.77Å; E601-W663 HydrophobicContact CG-CB 4.17Å; W663-L665 VanDerWaalsContact C-N 3.27Å; W663-L665 PolarHBondContact O-N 3.3Å; W663-L666 PolarHBondContact O-N 2.75Å; W663-F916 HydrophobicContact CE3-CE2 4.43Å; W663-F916 AromaticContact CH2-CD2 3.58Å; W663-F916 HydrophobicContact CH2-CD2 3.58Å; W663-F916 AromaticContact CH2-CE2 3.51Å; W663-F916 HydrophobicContact CH2-CE2 3.51Å; W663-F916 HydrophobicContact CZ2-CD2 4.14Å; W663-F916 HydrophobicContact CZ2-CE2 4.36Å; W663-F916 HydrophobicContact CZ3-CD2 4.12Å; W663-F916 AromaticContact CZ3-CE2 3.56Å; W663-F916 HydrophobicContact CZ3-CE2 3.56Å
664N86.6Confident89.6Confident43 Ų4335.3 Ų35.323%0.2318%0.182CC..Hα-helixtrans-70.9-19.3-17964.3-40.6000113.6T662 F916T662-N664 VanDerWaalsContact C-N 3.26Å; T662-N664 VanDerWaalsContact CB-OD1 3.25Å; T662-N664 WeakPolarHBondContact CB-OD1 3.23Å; T662-N664 PolarHBondContact O-N 2.91Å; T662-N664 PolarHBondContact OG1-OD1 3.38Å; N664-F916 HydrophobicContact CB-CD2 3.68Å; N664-F916 HydrophobicContact CB-CE2 3.45Å; N664-F916 VanDerWaalsContact CB-CE2 3.45Å; N664-F916 HydrophobicContact CB-CZ 4.45Å
665L88.1Confident89.8Confident27 Ų2737.5 Ų37.514%0.14119%0.191CC..Hα-helixtrans-102-11.1178.5-63.7-179000113.1L655 T662 W663 P668 L669L655-L665 HydrophobicContact CD2-CD1 4.14Å; T662-L665 PolarHBondContact O-N 2.85Å; W663-L665 VanDerWaalsContact C-N 3.27Å; W663-L665 PolarHBondContact O-N 3.3Å; L665-P668 WeakPolarHBondContact O-CD 3.45Å; L665-P668 VanDerWaalsContact O-CG 3.32Å; L665-P668 WeakPolarHBondContact O-CG 3.38Å; L665-L669 HydrophobicContact CB-CD1 4.21Å; L665-L669 VanDerWaalsContact O-CB 3.24Å; L665-L669 WeakPolarHBondContact O-CB 3.26Å; L665-L669 WeakPolarHBondContact O-CD1 3.39Å; L665-L669 WeakPolarHBondContact O-CG 3.34Å; L665-L669 PolarHBondContact O-N 2.81Å; L665-L669 VanDerWaalsContact O-N 3.09Å
666L92.5Very high90Very high0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-60.7-55.5-173.5-178.164.2000112.2V600 M604 L613 P661 T662 W663 L669 L670 L708V600-L666 HydrophobicContact CG1-CD2 3.87Å; M604-L666 HydrophobicContact CG-CD2 3.61Å; M604-L666 HydrophobicContact SD-CD2 3.86Å; L613-L666 HydrophobicContact CD1-CD1 4.23Å; L613-L666 HydrophobicContact CD2-CD1 3.92Å; P661-L666 HydrophobicContact CG-CD1 3.82Å; T662-L666 PolarHBondContact O-N 3.44Å; T662-L666 VanDerWaalsContact O-N 3.08Å; W663-L666 PolarHBondContact O-N 2.75Å; L666-L669 PolarHBondContact O-N 3Å; L666-L670 HydrophobicContact CD1-CD1 3.88Å; L666-L670 HydrophobicContact CD1-CD2 4.5Å; L666-L670 HydrophobicContact CD1-CG 4.05Å; L666-L670 HydrophobicContact CG-CD1 4.01Å; L666-L670 HydrophobicContact CG-CG 4.44Å; L666-L670 VanDerWaalsContact O-CG 3.29Å; L666-L670 WeakPolarHBondContact O-CG 3.49Å; L666-L670 PolarHBondContact O-N 2.92Å; L666-L708 HydrophobicContact CB-CD1 4.48Å; L666-L708 HydrophobicContact CD2-CD1 3.53Å; L666-L708 HydrophobicContact CD2-CD2 4.49Å; L666-L708 HydrophobicContact CG-CD1 3.72Å
667Y94.8Very high90Very high29 Ų2938.5 Ų38.511%0.11419%0.193CC..Hα-helixtrans-57.6-54.1179173.1-106.8000113.7L669 L670 N671 C705 L708 K709 D712Y667-L669 PolarHBondContact O-N 3.34Å; Y667-L670 PolarHBondContact O-N 3.48Å; Y667-N671 HydrophobicContact CE2-CB 4.24Å; Y667-N671 VanDerWaalsContact O-CB 3.28Å; Y667-N671 WeakPolarHBondContact O-CB 3.43Å; Y667-N671 PolarHBondContact O-N 3.37Å; Y667-C705 HydrophobicContact CE2-CB 4.4Å; Y667-L708 HydrophobicContact CD2-CB 4.06Å; Y667-L708 HydrophobicContact CG-CB 4.4Å; Y667-K709 HydrophobicContact CD2-CB 4.2Å; Y667-K709 HydrophobicContact CE1-CG 4.49Å; Y667-K709 HydrophobicContact CE2-CB 3.5Å; Y667-K709 HydrophobicContact CE2-CG 4.08Å; Y667-K709 WeakPolarHBondContact OH-CG 3.46Å; Y667-D712 HydrophobicContact CD1-CB 3.57Å; Y667-D712 WeakPolarHBondContact CD1-OD2 3.02Å; Y667-D712 HydrophobicContact CE1-CB 4.3Å; Y667-D712 WeakPolarHBondContact CE1-OD2 3.25Å; Y667-D712 HydrophobicContact CG-CB 3.91Å
668P91.4Very high90Very high13 Ų1342.2 Ų42.28%0.08422%0.219CC..Hα-helixtrans-62.4-32.7-178.422.6-32.7000112.2L665 S672L665-P668 WeakPolarHBondContact O-CD 3.45Å; L665-P668 VanDerWaalsContact O-CG 3.32Å; L665-P668 WeakPolarHBondContact O-CG 3.38Å; P668-S672 WeakPolarHBondContact O-CB 3.46Å; P668-S672 PolarHBondContact O-N 3.36Å; P668-S672 PolarHBondContact O-OG 3.04Å
669L91.8Very high90.1Very high3 Ų337.1 Ų37.12%0.01620%0.196CC..Hα-helixtrans-64.1-54.2173.1-88.1169.9000112.6R652 V653 W656 P661 L665 L666 Y667 N671 S672 L673R652-L669 HydrophobicContact CB-CD1 4.44Å; R652-L669 HydrophobicContact CB-CD2 3.39Å; R652-L669 HydrophobicContact CB-CG 3.91Å; V653-L669 HydrophobicContact CG2-CD2 4.14Å; W656-L669 HydrophobicContact CB-CD1 4.46Å; W656-L669 HydrophobicContact CE3-CB 4.28Å; W656-L669 HydrophobicContact CE3-CD1 4.14Å; W656-L669 HydrophobicContact CE3-CD2 4.11Å; W656-L669 HydrophobicContact CE3-CG 4.43Å; W656-L669 HydrophobicContact CZ3-CB 4.27Å; P661-L669 HydrophobicContact CB-CD1 3.42Å; P661-L669 VanDerWaalsContact CB-CD1 3.42Å; P661-L669 HydrophobicContact CG-CD1 4.36Å; L665-L669 HydrophobicContact CB-CD1 4.21Å; L665-L669 VanDerWaalsContact O-CB 3.24Å; L665-L669 WeakPolarHBondContact O-CB 3.26Å; L665-L669 WeakPolarHBondContact O-CD1 3.39Å; L665-L669 WeakPolarHBondContact O-CG 3.34Å; L665-L669 PolarHBondContact O-N 2.81Å; L665-L669 VanDerWaalsContact O-N 3.09Å; L666-L669 PolarHBondContact O-N 3Å; Y667-L669 PolarHBondContact O-N 3.34Å; L669-N671 VanDerWaalsContact C-N 3.31Å; L669-N671 PolarHBondContact O-N 3.14Å; L669-S672 WeakPolarHBondContact O-CB 3.28Å; L669-S672 PolarHBondContact O-N 2.94Å; L669-S672 VanDerWaalsContact O-N 3.12Å; L669-L673 PolarHBondContact O-N 2.99Å
670L94.5Very high90.2Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-61.8-41.3-179.3-66.2-177.4000111.5L613 W656 L666 Y667 S672 L673 I674 V701 L704 C705 L708L613-L670 HydrophobicContact CD2-CD2 4.02Å; W656-L670 HydrophobicContact CH2-CD2 3.64Å; W656-L670 HydrophobicContact CZ3-CD2 4.05Å; L666-L670 HydrophobicContact CD1-CD1 3.88Å; L666-L670 HydrophobicContact CD1-CD2 4.5Å; L666-L670 HydrophobicContact CD1-CG 4.05Å; L666-L670 HydrophobicContact CG-CD1 4.01Å; L666-L670 HydrophobicContact CG-CG 4.44Å; L666-L670 VanDerWaalsContact O-CG 3.29Å; L666-L670 WeakPolarHBondContact O-CG 3.49Å; L666-L670 PolarHBondContact O-N 2.92Å; Y667-L670 PolarHBondContact O-N 3.48Å; L670-S672 VanDerWaalsContact C-N 3.31Å; L670-S672 PolarHBondContact O-N 3.48Å; L670-L673 PolarHBondContact O-N 3.04Å; L670-I674 WeakPolarHBondContact O-CG1 3.5Å; L670-I674 PolarHBondContact O-N 3.38Å; L670-V701 HydrophobicContact CB-CG1 4.05Å; L670-V701 HydrophobicContact CD2-CG1 3.9Å; L670-V701 HydrophobicContact CD2-CG2 4.17Å; L670-V701 HydrophobicContact CG-CG1 4.39Å; L670-L704 HydrophobicContact CD1-CD2 3.64Å; L670-L704 HydrophobicContact CD1-CG 3.99Å; L670-C705 WeakPolarHBondContact CB-SG 3.28Å; L670-L708 HydrophobicContact CD1-CD1 4.15Å
671N94.1Very high90.3Very high48 Ų4833.7 Ų33.726%0.25718%0.177SC..Hα-helixtrans-62-38.8175.3-171.346.8000111.8Y667 L669 I674 K675Y667-N671 HydrophobicContact CE2-CB 4.24Å; Y667-N671 VanDerWaalsContact O-CB 3.28Å; Y667-N671 WeakPolarHBondContact O-CB 3.43Å; Y667-N671 PolarHBondContact O-N 3.37Å; L669-N671 VanDerWaalsContact C-N 3.31Å; L669-N671 PolarHBondContact O-N 3.14Å; N671-I674 PolarHBondContact O-N 3.47Å; N671-K675 WeakPolarHBondContact O-CG 3.24Å; N671-K675 PolarHBondContact O-N 2.96Å; N671-K675 VanDerWaalsContact O-N 3.1Å
672S91.7Very high90.3Very high4 Ų437.4 Ų37.43%0.02820%0.196CC..Hα-helixtrans-64.8-44174.4-54.60000111.2P668 L669 L670 I674 K675 H676P668-S672 WeakPolarHBondContact O-CB 3.46Å; P668-S672 PolarHBondContact O-N 3.36Å; P668-S672 PolarHBondContact O-OG 3.04Å; L669-S672 WeakPolarHBondContact O-CB 3.28Å; L669-S672 PolarHBondContact O-N 2.94Å; L669-S672 VanDerWaalsContact O-N 3.12Å; L670-S672 VanDerWaalsContact C-N 3.31Å; L670-S672 PolarHBondContact O-N 3.48Å; S672-I674 VanDerWaalsContact C-N 3.33Å; S672-I674 PolarHBondContact O-N 3Å; S672-K675 PolarHBondContact O-N 2.98Å; S672-H676 PolarHBondContact O-CD2 2.86Å; S672-H676 PolarHBondContact O-N 3.38Å
673L91.1Very high90.2Very high6 Ų634.1 Ų34.13%0.03118%0.176CC..Hα-helixtrans-60.1-42.5176.2-68.7-174.9000112.3F616 W656 L669 L670 H676 K677 I680 W698F616-L673 HydrophobicContact CD1-CD1 3.63Å; F616-L673 HydrophobicContact CE1-CD1 4.04Å; F616-L673 HydrophobicContact CG-CD1 4.21Å; W656-L673 HydrophobicContact CE3-CD1 4.25Å; W656-L673 HydrophobicContact CH2-CD1 3.75Å; W656-L673 HydrophobicContact CZ3-CD1 3.3Å; W656-L673 HydrophobicContact CZ3-CG 4.19Å; L669-L673 PolarHBondContact O-N 2.99Å; L670-L673 PolarHBondContact O-N 3.04Å; L673-H676 CarbonylContact O-C 3.58Å; L673-H676 PolarHBondContact O-N 3.21Å; L673-K677 PolarHBondContact O-N 3.44Å; L673-I680 HydrophobicContact CB-CD1 4.49Å; L673-I680 HydrophobicContact CD2-CD1 3.77Å; L673-W698 HydrophobicContact CB-CH2 4.2Å; L673-W698 HydrophobicContact CB-CZ3 4.13Å; L673-W698 WeakPolarHBondContact O-CH2 3.33Å
674I92.8Very high90Very high44 Ų4433.3 Ų33.323%0.22618%0.175CC..Hα-helixtrans-62.3-43.8177.8-67166.7000110.9L670 N671 S672 H676 K677 W698 V701 E702 C705L670-I674 WeakPolarHBondContact O-CG1 3.5Å; L670-I674 PolarHBondContact O-N 3.38Å; N671-I674 PolarHBondContact O-N 3.47Å; S672-I674 VanDerWaalsContact C-N 3.33Å; S672-I674 PolarHBondContact O-N 3Å; I674-H676 PolarHBondContact O-N 2.92Å; I674-K677 WeakPolarHBondContact O-CB 3.44Å; I674-K677 PolarHBondContact O-N 3.24Å; I674-K677 VanDerWaalsContact O-N 3.13Å; I674-W698 HydrophobicContact CG1-CZ3 4.46Å; I674-V701 HydrophobicContact CD1-CG1 3.98Å; I674-V701 HydrophobicContact CG1-CG1 3.9Å; I674-E702 HydrophobicContact CD1-CB 4.47Å; I674-E702 HydrophobicContact CD1-CG 3.98Å; I674-E702 HydrophobicContact CG1-CG 4.14Å; I674-E702 HydrophobicContact CG2-CG 4.46Å; I674-C705 HydrophobicContact CD1-CB 3.87Å; I674-C705 VanDerWaalsContact CD1-SG 3.54Å
675K92.1Very high89.8Confident127 Ų12737.2 Ų37.255%0.55220%0.195SC*.Hα-helixtrans-57.1-35.9176.5-72.6174.1-174.9178.70112.5N671 S672N671-K675 WeakPolarHBondContact O-CG 3.24Å; N671-K675 PolarHBondContact O-N 2.96Å; N671-K675 VanDerWaalsContact O-N 3.1Å; S672-K675 PolarHBondContact O-N 2.98Å
676H90.1Very high89.3Confident36 Ų3640 Ų4017%0.16721%0.214CC..THydrogen-bonded Turntrans-10219-179.3-60.8-75.6000113.5S644 L645 S672 L673 I674 S678 L679 I680S644-H676 PolarHBondContact O-CE1 2.85Å; L645-H676 WeakPolarHBondContact CD2-CD2 3.49Å; L645-H676 WeakPolarHBondContact CD2-NE2 3.37Å; S672-H676 PolarHBondContact O-CD2 2.86Å; S672-H676 PolarHBondContact O-N 3.38Å; L673-H676 CarbonylContact O-C 3.58Å; L673-H676 PolarHBondContact O-N 3.21Å; I674-H676 PolarHBondContact O-N 2.92Å; H676-S678 PolarHBondContact O-N 3.36Å; H676-L679 PolarHBondContact O-N 3.28Å; H676-I680 HydrophobicContact CB-CD1 4.29Å; H676-I680 WeakPolarHBondContact O-CG1 2.96Å; H676-I680 PolarHBondContact O-N 3.48Å
677K90.8Very high88.2Confident66 Ų6640.6 Ų40.629%0.28722%0.218SC..Hα-helixtrans-53.9-47.8-175.3176.2177.1-179.2-178.10113.4L673 I674 L679 I680 C681 W698 E702L673-K677 PolarHBondContact O-N 3.44Å; I674-K677 WeakPolarHBondContact O-CB 3.44Å; I674-K677 PolarHBondContact O-N 3.24Å; I674-K677 VanDerWaalsContact O-N 3.13Å; K677-L679 PolarHBondContact O-N 3.47Å; K677-I680 PolarHBondContact O-N 3.43Å; K677-C681 WeakPolarHBondContact O-CB 3.39Å; K677-C681 PolarHBondContact O-N 3.27Å; K677-C681 PolarHBondContact O-SG 3.03Å; K677-C681 VanDerWaalsContact O-SG 3.36Å; K677-W698 HydrophobicContact CB-CE3 4.33Å; K677-W698 HydrophobicContact CB-CH2 3.96Å; K677-W698 HydrophobicContact CB-CZ2 4.29Å; K677-W698 HydrophobicContact CB-CZ3 3.98Å; K677-W698 HydrophobicContact CD-CD2 3.96Å; K677-W698 HydrophobicContact CD-CE3 3.94Å; K677-W698 HydrophobicContact CD-CG 4.25Å; K677-W698 HydrophobicContact CD-CZ3 4.42Å; K677-W698 HydrophobicContact CG-CD2 3.82Å; K677-W698 HydrophobicContact CG-CE3 3.91Å; K677-W698 HydrophobicContact CG-CG 4.42Å; K677-W698 HydrophobicContact CG-CH2 4.05Å; K677-W698 HydrophobicContact CG-CZ2 3.96Å; K677-W698 HydrophobicContact CG-CZ3 4.03Å; K677-E702 IonicContact NZ-OE1 3.38Å; K677-E702 PolarHBondContact NZ-OE1 2.97Å
678S89.3Confident86.4Confident83 Ų8343.5 Ų43.558%0.5824%0.242SC*.Hα-helixtrans-59.1-47.8-179.5520000111.7H676 I680 C681 D682H676-S678 PolarHBondContact O-N 3.36Å; S678-I680 PolarHBondContact O-N 3.15Å; S678-C681 PolarHBondContact O-N 3.45Å; S678-D682 PolarHBondContact O-N 2.92Å
679L87.9Confident84.7Confident26 Ų2650.5 Ų50.514%0.13629%0.285CS..Hα-helixtrans-61.8-42.6178.5-179.264.6000112.2K640 L641 S644 H676 K677 D682 I683K640-L679 HydrophobicContact CD-CD1 3.93Å; K640-L679 HydrophobicContact CG-CD1 4.15Å; L641-L679 HydrophobicContact CD1-CD2 4.21Å; S644-L679 VanDerWaalsContact OG-CD2 3.24Å; S644-L679 WeakPolarHBondContact OG-CD2 3.17Å; H676-L679 PolarHBondContact O-N 3.28Å; K677-L679 PolarHBondContact O-N 3.47Å; L679-D682 PolarHBondContact O-N 3.48Å; L679-I683 HydrophobicContact CD1-CD1 4.36Å; L679-I683 HydrophobicContact CG-CD1 4.1Å; L679-I683 VanDerWaalsContact O-CG1 3.26Å; L679-I683 WeakPolarHBondContact O-CG1 3.31Å; L679-I683 PolarHBondContact O-N 3.19Å
680I87.6Confident83.4Confident7 Ų753.2 Ų53.24%0.03630%0.304CS..Hα-helixtrans-65.9-43178.2-65.9164.5000110.2L641 L673 H676 K677 S678 I683 I684 W698L641-I680 HydrophobicContact CD1-CG1 3.97Å; L673-I680 HydrophobicContact CB-CD1 4.49Å; L673-I680 HydrophobicContact CD2-CD1 3.77Å; H676-I680 HydrophobicContact CB-CD1 4.29Å; H676-I680 WeakPolarHBondContact O-CG1 2.96Å; H676-I680 PolarHBondContact O-N 3.48Å; K677-I680 PolarHBondContact O-N 3.43Å; S678-I680 PolarHBondContact O-N 3.15Å; I680-I683 PolarHBondContact O-N 2.99Å; I680-I684 HydrophobicContact CG2-CD1 3.81Å; I680-I684 HydrophobicContact CG2-CG1 4.46Å; I680-I684 VanDerWaalsContact O-CG1 3.27Å; I680-I684 WeakPolarHBondContact O-CG1 3.2Å; I680-I684 PolarHBondContact O-N 3.21Å; I680-W698 HydrophobicContact CB-CH2 4.45Å; I680-W698 HydrophobicContact CB-CZ2 4.1Å; I680-W698 HydrophobicContact CD1-CH2 3.98Å; I680-W698 HydrophobicContact CD1-CZ2 4.44Å; I680-W698 HydrophobicContact CG2-CH2 4.47Å; I680-W698 HydrophobicContact CG2-CZ2 3.89Å
681C87.8Confident82.2Confident33 Ų3354.1 Ų54.122%0.22331%0.309CS..Hα-helixtrans-60.5-43.9174.4-74.80000112.1K677 S678 I683 I684 N685K677-C681 WeakPolarHBondContact O-CB 3.39Å; K677-C681 PolarHBondContact O-N 3.27Å; K677-C681 PolarHBondContact O-SG 3.03Å; K677-C681 VanDerWaalsContact O-SG 3.36Å; S678-C681 PolarHBondContact O-N 3.45Å; C681-I683 VanDerWaalsContact C-N 3.33Å; C681-I683 PolarHBondContact O-N 3.44Å; C681-I684 PolarHBondContact O-N 2.73Å; C681-N685 WeakPolarHBondContact O-CB 3.48Å; C681-N685 PolarHBondContact O-N 2.95Å; C681-N685 PolarHBondContact O-ND2 2.84Å; C681-N685 VanDerWaalsContact O-ND2 3.16Å
682D85.8Confident81.2Confident84 Ų8454.5 Ų54.545%0.44931%0.314SS..Hα-helixtrans-61-42.5176.5-69-17.5000111.6S678 L679 N685 T686S678-D682 PolarHBondContact O-N 2.92Å; L679-D682 PolarHBondContact O-N 3.48Å; D682-N685 PolarHBondContact O-N 3.46Å; D682-T686 WeakPolarHBondContact O-CB 3.11Å; D682-T686 VanDerWaalsContact O-CG2 3.32Å; D682-T686 WeakPolarHBondContact O-CG2 3.15Å; D682-T686 PolarHBondContact O-N 2.89Å; D682-T686 PolarHBondContact O-OG1 3.4Å
683I84.8Confident80.5Confident2 Ų257.1 Ų57.11%0.0133%0.332CS..Hα-helixtrans-62.4-46.5176-70.8165.7000110.6L623 H637 L641 L679 I680 C681 N685 T686 S687L623-I683 HydrophobicContact CD1-CG2 4.1Å; L623-I683 HydrophobicContact CD2-CG2 3.66Å; H637-I683 HydrophobicContact CB-CG1 4.3Å; H637-I683 HydrophobicContact CB-CG2 3.81Å; L641-I683 HydrophobicContact CB-CD1 4.05Å; L679-I683 HydrophobicContact CD1-CD1 4.36Å; L679-I683 HydrophobicContact CG-CD1 4.1Å; L679-I683 VanDerWaalsContact O-CG1 3.26Å; L679-I683 WeakPolarHBondContact O-CG1 3.31Å; L679-I683 PolarHBondContact O-N 3.19Å; I680-I683 PolarHBondContact O-N 2.99Å; C681-I683 VanDerWaalsContact C-N 3.33Å; C681-I683 PolarHBondContact O-N 3.44Å; I683-N685 VanDerWaalsContact C-N 3.35Å; I683-N685 PolarHBondContact O-N 2.98Å; I683-T686 WeakPolarHBondContact CA-OG1 3.46Å; I683-T686 PolarHBondContact O-N 3.21Å; I683-T686 PolarHBondContact O-OG1 2.86Å; I683-T686 VanDerWaalsContact O-OG1 3.06Å; I683-S687 WeakPolarHBondContact O-CB 3.46Å; I683-S687 PolarHBondContact O-N 2.94Å; I683-S687 PolarHBondContact O-OG 3.39Å
684I84.1Confident80Confident19 Ų1957.3 Ų57.310%0.09733%0.333CS..Hα-helixtrans-61.7-44.4179.3-68.3165.5000110.7V619 I680 C681 T686 S687 L691 L694V619-I684 HydrophobicContact CG1-CD1 4.35Å; V619-I684 HydrophobicContact CG1-CG1 4.39Å; I680-I684 HydrophobicContact CG2-CD1 3.81Å; I680-I684 HydrophobicContact CG2-CG1 4.46Å; I680-I684 VanDerWaalsContact O-CG1 3.27Å; I680-I684 WeakPolarHBondContact O-CG1 3.2Å; I680-I684 PolarHBondContact O-N 3.21Å; C681-I684 PolarHBondContact O-N 2.73Å; I684-T686 PolarHBondContact O-N 3.05Å; I684-S687 PolarHBondContact O-N 3.39Å; I684-L691 HydrophobicContact CG2-CB 4.3Å; I684-L694 HydrophobicContact CD1-CD1 3.83Å; I684-L694 HydrophobicContact CD1-CG 4.18Å
685N82.7Confident79.4Confident125 Ų12564.9 Ų64.967%0.66836%0.359SS*.Hα-helixtrans-68.1-35.3-178-70-27.1000113C681 D682 I683 S687C681-N685 WeakPolarHBondContact O-CB 3.48Å; C681-N685 PolarHBondContact O-N 2.95Å; C681-N685 PolarHBondContact O-ND2 2.84Å; C681-N685 VanDerWaalsContact O-ND2 3.16Å; D682-N685 PolarHBondContact O-N 3.46Å; I683-N685 VanDerWaalsContact C-N 3.35Å; I683-N685 PolarHBondContact O-N 2.98Å; N685-S687 VanDerWaalsContact C-N 3.34Å
686T78.7Confident79Confident85 Ų8562.7 Ų62.752%0.52136%0.36SS..Hα-helixtrans-77.4-19.6179.247.50000113.3H637 D682 I683 I684 S688H637-T686 PolarHBondContact CE1-OG1 3.26Å; H637-T686 VanDerWaalsContact CE1-OG1 3.24Å; D682-T686 WeakPolarHBondContact O-CB 3.11Å; D682-T686 VanDerWaalsContact O-CG2 3.32Å; D682-T686 WeakPolarHBondContact O-CG2 3.15Å; D682-T686 PolarHBondContact O-N 2.89Å; D682-T686 PolarHBondContact O-OG1 3.4Å; I683-T686 WeakPolarHBondContact CA-OG1 3.46Å; I683-T686 PolarHBondContact O-N 3.21Å; I683-T686 PolarHBondContact O-OG1 2.86Å; I683-T686 VanDerWaalsContact O-OG1 3.06Å; I684-T686 PolarHBondContact O-N 3.05Å; T686-S688 PolarHBondContact O-N 2.84Å
687S69.1Low79Confident12 Ų1262 Ų628%0.08436%0.357CS..THydrogen-bonded Turntrans-83.66.8-170.7-640000116.2I683 I684 N685I683-S687 WeakPolarHBondContact O-CB 3.46Å; I683-S687 PolarHBondContact O-N 2.94Å; I683-S687 PolarHBondContact O-OG 3.39Å; I684-S687 PolarHBondContact O-N 3.39Å; N685-S687 VanDerWaalsContact C-N 3.34Å
688S56.7Low79.1Confident91 Ų9159.1 Ų59.164%0.63634%0.344SS*.THydrogen-bonded Turntrans43.2105.4173.9-47.70000117.2T686 S690T686-S688 PolarHBondContact O-N 2.84Å; S688-S690 VanDerWaalsContact C-N 3.34Å; S688-S690 PolarHBondContact O-N 3.36Å
689T56.5Low79.2Confident159 Ų15960 Ų6098%0.97534%0.337SS*.THydrogen-bonded Turntrans63.9-18.516516.80000121.1
690S63.3Low79.4Confident60 Ų6059.7 Ų59.742%0.4234%0.336SS..SBendtrans-100.4-13.9-176.558.30000116.9Y634 S688Y634-S690 PolarHBondContact OH-OG 2.9Å; S688-S690 VanDerWaalsContact C-N 3.34Å; S688-S690 PolarHBondContact O-N 3.36Å
691L69.1Low79.7Confident20 Ų2059.4 Ų59.411%0.10534%0.335CS..SBendtrans-96.8136.1177.1-80162.7000110.8V619 T622 L623 Y634 I684 S693V619-L691 HydrophobicContact CB-CD2 4.17Å; V619-L691 HydrophobicContact CG1-CD2 4.08Å; V619-L691 HydrophobicContact CG2-CD2 4Å; T622-L691 HydrophobicContact CG2-CD2 4.01Å; L623-L691 HydrophobicContact CD2-CD1 4.28Å; Y634-L691 HydrophobicContact CE1-CD1 4.42Å; I684-L691 HydrophobicContact CG2-CB 4.3Å; L691-S693 PolarHBondContact O-N 3.17Å
692P73.3Confident80Confident55 Ų5561 Ų6136%0.35734%0.339SS..  trans-63.7135.2177.124.2-30.9000110.9V619 L694V619-P692 HydrophobicContact CG2-CG 3.79Å; P692-L694 PolarHBondContact O-N 2.81Å
693S76.8Confident80.4Confident60 Ų6057.8 Ų57.842%0.4232%0.321SS..  trans-71.1109.1175.6164.90000110L691 R695L691-S693 PolarHBondContact O-N 3.17Å; S693-R695 PolarHBondContact O-N 3.03Å
694L80.5Confident80.8Confident9 Ų958 Ų585%0.04732%0.323CS..  trans-86.994.8175.2-58.5176.7000109.9Q615 F616 V619 I684 P692 E697 W698Q615-L694 HydrophobicContact CB-CD2 3.91Å; F616-L694 HydrophobicContact CD1-CD1 3.77Å; F616-L694 HydrophobicContact CE1-CD1 3.54Å; F616-L694 HydrophobicContact CE2-CD1 4.36Å; F616-L694 HydrophobicContact CG-CD1 4.3Å; F616-L694 HydrophobicContact CZ-CD1 3.87Å; V619-L694 HydrophobicContact CG2-CD1 4.03Å; V619-L694 HydrophobicContact CG2-CG 4.41Å; I684-L694 HydrophobicContact CD1-CD1 3.83Å; I684-L694 HydrophobicContact CD1-CG 4.18Å; P692-L694 PolarHBondContact O-N 2.81Å; L694-E697 HydrophobicContact CB-CB 4.34Å; L694-E697 HydrophobicContact CD2-CB 4.04Å; L694-E697 HydrophobicContact CD2-CG 3.95Å; L694-W698 PolarHBondContact O-NE1 3.41Å
695R80.6Confident81.4Confident203 Ų20357.6 Ų57.677%0.76632%0.321SS*.SBendtrans-114.1-60.3178.6-86.1-169.1-78.5-121.5-0.6111.6S693 E697S693-R695 PolarHBondContact O-N 3.03Å; R695-E697 VanDerWaalsContact C-N 3.29Å; R695-E697 PolarHBondContact N-OE2 2.85Å
696S83Confident81.8Confident81 Ų8157 Ų5757%0.56632%0.317SS*.Hα-helixtrans-69.9-29.5175.6310000112.4W698 K699 V700S696-W698 PolarHBondContact O-N 3.49Å; S696-K699 WeakPolarHBondContact O-CB 3.31Å; S696-K699 PolarHBondContact O-N 3.38Å; S696-V700 PolarHBondContact O-N 2.95Å
697E90.9Very high82.6Confident22 Ų2253 Ų5310%0.10329%0.293CS..Hα-helixtrans-65-37.1-175.2-69.575-167.700112.3T612 Q615 F616 L694 R695 K699 V700 V701T612-E697 HydrophobicContact CG2-CB 3.99Å; T612-E697 HydrophobicContact CG2-CG 4.31Å; Q615-E697 PolarHBondContact NE2-OE1 3.18Å; Q615-E697 PolarHBondContact OE1-OE1 2.94Å; F616-E697 HydrophobicContact CE2-CB 3.99Å; L694-E697 HydrophobicContact CB-CB 4.34Å; L694-E697 HydrophobicContact CD2-CB 4.04Å; L694-E697 HydrophobicContact CD2-CG 3.95Å; R695-E697 VanDerWaalsContact C-N 3.29Å; R695-E697 PolarHBondContact N-OE2 2.85Å; E697-K699 VanDerWaalsContact C-N 3.29Å; E697-K699 PolarHBondContact O-N 2.9Å; E697-V700 PolarHBondContact O-N 3.43Å; E697-V701 PolarHBondContact O-N 3.42Å
698W92.2Very high83.9Confident5 Ų552.7 Ų52.72%0.01929%0.291CS..Hα-helixtrans-62.1-37.8176.3-79114.5000112.5F616 L673 I674 K677 I680 L694 S696 V700 V701 E702F616-W698 HydrophobicContact CE1-CD2 4.3Å; F616-W698 HydrophobicContact CE1-CE3 4.26Å; F616-W698 AromaticContact CE1-CH2 3.71Å; F616-W698 HydrophobicContact CE1-CH2 3.71Å; F616-W698 AromaticContact CE1-CZ2 3.75Å; F616-W698 HydrophobicContact CE1-CZ2 3.75Å; F616-W698 AromaticContact CE1-CZ3 3.96Å; F616-W698 HydrophobicContact CE1-CZ3 3.96Å; F616-W698 AromaticContact CZ-CD2 3.84Å; F616-W698 HydrophobicContact CZ-CD2 3.84Å; F616-W698 AromaticContact CZ-CE2 3.95Å; F616-W698 AromaticContact CZ-CE3 3.88Å; F616-W698 HydrophobicContact CZ-CE3 3.88Å; F616-W698 HydrophobicContact CZ-CG 4.46Å; F616-W698 HydrophobicContact CZ-CH2 4.18Å; F616-W698 HydrophobicContact CZ-CZ2 4.14Å; F616-W698 HydrophobicContact CZ-CZ3 4.04Å; L673-W698 HydrophobicContact CB-CH2 4.2Å; L673-W698 HydrophobicContact CB-CZ3 4.13Å; L673-W698 WeakPolarHBondContact O-CH2 3.33Å; I674-W698 HydrophobicContact CG1-CZ3 4.46Å; K677-W698 HydrophobicContact CB-CE3 4.33Å; K677-W698 HydrophobicContact CB-CH2 3.96Å; K677-W698 HydrophobicContact CB-CZ2 4.29Å; K677-W698 HydrophobicContact CB-CZ3 3.98Å; K677-W698 HydrophobicContact CD-CD2 3.96Å; K677-W698 HydrophobicContact CD-CE3 3.94Å; K677-W698 HydrophobicContact CD-CG 4.25Å; K677-W698 HydrophobicContact CD-CZ3 4.42Å; K677-W698 HydrophobicContact CG-CD2 3.82Å; K677-W698 HydrophobicContact CG-CE3 3.91Å; K677-W698 HydrophobicContact CG-CG 4.42Å; K677-W698 HydrophobicContact CG-CH2 4.05Å; K677-W698 HydrophobicContact CG-CZ2 3.96Å; K677-W698 HydrophobicContact CG-CZ3 4.03Å; I680-W698 HydrophobicContact CB-CH2 4.45Å; I680-W698 HydrophobicContact CB-CZ2 4.1Å; I680-W698 HydrophobicContact CD1-CH2 3.98Å; I680-W698 HydrophobicContact CD1-CZ2 4.44Å; I680-W698 HydrophobicContact CG2-CH2 4.47Å; I680-W698 HydrophobicContact CG2-CZ2 3.89Å; L694-W698 PolarHBondContact O-NE1 3.41Å; S696-W698 PolarHBondContact O-N 3.49Å; W698-V700 VanDerWaalsContact C-N 3.34Å; W698-V701 PolarHBondContact O-N 2.98Å; W698-E702 WeakPolarHBondContact O-CB 3.29Å; W698-E702 VanDerWaalsContact O-CG 3.28Å; W698-E702 WeakPolarHBondContact O-CG 3.41Å; W698-E702 PolarHBondContact O-N 3.25Å
699K91.6Very high85.8Confident101 Ų10153.7 Ų53.744%0.43928%0.283SS..Hα-helixtrans-64.2-41.7176.6-176175.6175.3179.60110.8S696 E697 E702 E703S696-K699 WeakPolarHBondContact O-CB 3.31Å; S696-K699 PolarHBondContact O-N 3.38Å; E697-K699 VanDerWaalsContact C-N 3.29Å; E697-K699 PolarHBondContact O-N 2.9Å; K699-E702 PolarHBondContact O-N 3.4Å; K699-E703 WeakPolarHBondContact CE-OE1 3.43Å; K699-E703 WeakPolarHBondContact O-CB 3.46Å; K699-E703 VanDerWaalsContact O-CG 3.26Å; K699-E703 WeakPolarHBondContact O-CG 3.09Å; K699-E703 PolarHBondContact O-N 3.2Å
700V93.1Very high87.7Confident20 Ų2047.1 Ų47.112%0.12124%0.243CC..Hα-helixtrans-62.4-43.8176.1179.20000110.9V608 I609 T612 S696 E697 W698 E703 L704V608-V700 HydrophobicContact CG1-CG2 4.34Å; I609-V700 HydrophobicContact CG1-CG1 4.42Å; T612-V700 HydrophobicContact CG2-CB 4.28Å; T612-V700 HydrophobicContact CG2-CG1 4.28Å; S696-V700 PolarHBondContact O-N 2.95Å; E697-V700 PolarHBondContact O-N 3.43Å; W698-V700 VanDerWaalsContact C-N 3.34Å; V700-E703 PolarHBondContact O-N 2.93Å; V700-L704 VanDerWaalsContact O-CB 3.24Å; V700-L704 WeakPolarHBondContact O-CB 3.34Å; V700-L704 PolarHBondContact O-N 3Å
701V94.3Very high89.2Confident1 Ų144.4 Ų44.41%0.00622%0.224CC..Hα-helixtrans-65.5-42.61781670000112.4T612 F616 L670 I674 E697 W698 L704 C705T612-V701 HydrophobicContact CG2-CG2 3.82Å; F616-V701 HydrophobicContact CD2-CG2 3.95Å; F616-V701 HydrophobicContact CE2-CB 4.4Å; F616-V701 HydrophobicContact CE2-CG2 3.37Å; F616-V701 HydrophobicContact CZ-CG2 3.94Å; L670-V701 HydrophobicContact CB-CG1 4.05Å; L670-V701 HydrophobicContact CD2-CG1 3.9Å; L670-V701 HydrophobicContact CD2-CG2 4.17Å; L670-V701 HydrophobicContact CG-CG1 4.39Å; I674-V701 HydrophobicContact CD1-CG1 3.98Å; I674-V701 HydrophobicContact CG1-CG1 3.9Å; E697-V701 PolarHBondContact O-N 3.42Å; W698-V701 PolarHBondContact O-N 2.98Å; V701-L704 PolarHBondContact O-N 2.87Å; V701-C705 WeakPolarHBondContact O-CB 3.4Å; V701-C705 PolarHBondContact O-N 2.76Å
702E93.8Very high90.4Very high68 Ų6844.2 Ų44.232%0.31822%0.223SC..Hα-helixtrans-60.6-46.3175.3-75.5166-174.300111.4I674 K677 W698 K699 C705 L706I674-E702 HydrophobicContact CD1-CB 4.47Å; I674-E702 HydrophobicContact CD1-CG 3.98Å; I674-E702 HydrophobicContact CG1-CG 4.14Å; I674-E702 HydrophobicContact CG2-CG 4.46Å; K677-E702 IonicContact NZ-OE1 3.38Å; K677-E702 PolarHBondContact NZ-OE1 2.97Å; W698-E702 WeakPolarHBondContact O-CB 3.29Å; W698-E702 VanDerWaalsContact O-CG 3.28Å; W698-E702 WeakPolarHBondContact O-CG 3.41Å; W698-E702 PolarHBondContact O-N 3.25Å; K699-E702 PolarHBondContact O-N 3.4Å; E702-C705 WeakPolarHBondContact O-CB 3.42Å; E702-C705 PolarHBondContact O-N 3.35Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.38Å
703E92.9Very high91.4Very high15 Ų1545 Ų457%0.0723%0.227CC..Hα-helixtrans-66.7-41178.1-72.7174.5172.300112.4K699 V700 C705 L706 V707 S749 I751 L752K699-E703 WeakPolarHBondContact CE-OE1 3.43Å; K699-E703 WeakPolarHBondContact O-CB 3.46Å; K699-E703 VanDerWaalsContact O-CG 3.26Å; K699-E703 WeakPolarHBondContact O-CG 3.09Å; K699-E703 PolarHBondContact O-N 3.2Å; V700-E703 PolarHBondContact O-N 2.93Å; E703-C705 VanDerWaalsContact C-N 3.35Å; E703-C705 PolarHBondContact O-N 3.24Å; E703-L706 WeakPolarHBondContact O-CB 3.47Å; E703-L706 PolarHBondContact O-N 2.79Å; E703-L706 VanDerWaalsContact O-N 3.16Å; E703-V707 PolarHBondContact O-N 3.39Å; E703-S749 VanDerWaalsContact OE1-CB 3.23Å; E703-S749 WeakPolarHBondContact OE1-CB 3.35Å; E703-S749 PolarHBondContact OE1-OG 2.77Å; E703-S749 VanDerWaalsContact OE1-OG 3.14Å; E703-S749 VanDerWaalsContact OE2-CB 3.25Å; E703-S749 WeakPolarHBondContact OE2-CB 3.3Å; E703-S749 PolarHBondContact OE2-OG 2.96Å; E703-I751 WeakPolarHBondContact OE2-CG2 3.1Å; E703-L752 HydrophobicContact CB-CB 4.27Å; E703-L752 HydrophobicContact CB-CD1 4.21Å; E703-L752 HydrophobicContact CG-CB 4.38Å; E703-L752 HydrophobicContact CG-CD2 4.3Å
704L94.8Very high92.2Very high8 Ų842.6 Ų42.64%0.04221%0.21CC..Hα-helixtrans-62.6-41.7175.5-179.157.1000111.5V603 I609 L670 V700 V701 L706 V707 L708 V755V603-L704 HydrophobicContact CG1-CD1 3.78Å; I609-L704 HydrophobicContact CD1-CD1 4.05Å; I609-L704 HydrophobicContact CD1-CD2 4.45Å; I609-L704 HydrophobicContact CG2-CD2 3.8Å; L670-L704 HydrophobicContact CD1-CD2 3.64Å; L670-L704 HydrophobicContact CD1-CG 3.99Å; V700-L704 VanDerWaalsContact O-CB 3.24Å; V700-L704 WeakPolarHBondContact O-CB 3.34Å; V700-L704 PolarHBondContact O-N 3Å; V701-L704 PolarHBondContact O-N 2.87Å; L704-L706 PolarHBondContact O-N 2.81Å; L704-V707 PolarHBondContact O-N 3.3Å; L704-V707 VanDerWaalsContact O-N 3.08Å; L704-L708 HydrophobicContact CD1-CD1 3.92Å; L704-L708 HydrophobicContact CD1-CD2 4.39Å; L704-L708 HydrophobicContact CD1-CG 3.91Å; L704-L708 HydrophobicContact CD2-CD1 4.32Å; L704-L708 HydrophobicContact CG-CD1 3.71Å; L704-L708 HydrophobicContact CG-CG 4.16Å; L704-L708 WeakPolarHBondContact O-CG 3.48Å; L704-L708 PolarHBondContact O-N 2.9Å; L704-V755 HydrophobicContact CD1-CG1 4.3Å
705C95.2Very high92.9Very high9 Ų942.1 Ų42.16%0.06121%0.208CC..Hα-helixtrans-58.1-35173.7-89.80000113.1Y667 L670 I674 V701 E702 E703 V707 K709Y667-C705 HydrophobicContact CE2-CB 4.4Å; L670-C705 WeakPolarHBondContact CB-SG 3.28Å; I674-C705 HydrophobicContact CD1-CB 3.87Å; I674-C705 VanDerWaalsContact CD1-SG 3.54Å; V701-C705 WeakPolarHBondContact O-CB 3.4Å; V701-C705 PolarHBondContact O-N 2.76Å; E702-C705 WeakPolarHBondContact O-CB 3.42Å; E702-C705 PolarHBondContact O-N 3.35Å; E703-C705 VanDerWaalsContact C-N 3.35Å; E703-C705 PolarHBondContact O-N 3.24Å; C705-V707 VanDerWaalsContact C-N 3.3Å; C705-V707 PolarHBondContact O-N 2.85Å; C705-K709 WeakPolarHBondContact O-CB 3.47Å; C705-K709 PolarHBondContact O-N 3Å
706L92.4Very high93.4Very high112 Ų11235.7 Ų35.759%0.58618%0.184SC*.Hα-helixtrans-65.7-34.4176.5-65.2173.9000112.2E702 E703 L704 P710E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.38Å; E703-L706 WeakPolarHBondContact O-CB 3.47Å; E703-L706 PolarHBondContact O-N 2.79Å; E703-L706 VanDerWaalsContact O-N 3.16Å; L704-L706 PolarHBondContact O-N 2.81Å; L706-P710 WeakPolarHBondContact O-CD 3.4Å
707V94.7Very high93.8Very high3 Ų335.2 Ų35.22%0.01818%0.178CC..Hα-helixtrans-80-39.8178.4-173.60000111.8E703 L704 C705 P710 L741 L752 V755 K756 M759E703-V707 PolarHBondContact O-N 3.39Å; L704-V707 PolarHBondContact O-N 3.3Å; L704-V707 VanDerWaalsContact O-N 3.08Å; C705-V707 VanDerWaalsContact C-N 3.3Å; C705-V707 PolarHBondContact O-N 2.85Å; V707-P710 WeakPolarHBondContact O-CD 3.3Å; V707-L741 HydrophobicContact CG1-CD2 3.8Å; V707-L752 HydrophobicContact CG2-CD1 3.44Å; V707-L752 VanDerWaalsContact CG2-CD1 3.44Å; V707-V755 HydrophobicContact CB-CG1 4.37Å; V707-V755 HydrophobicContact CG1-CG1 4.15Å; V707-V755 HydrophobicContact CG2-CG1 4.25Å; V707-K756 HydrophobicContact CG1-CG 4.49Å; V707-K756 HydrophobicContact CG2-CG 3.82Å; V707-M759 HydrophobicContact CG1-CB 4.37Å; V707-M759 HydrophobicContact CG1-CE 4.17Å; V707-M759 HydrophobicContact CG1-CG 4.4Å
708L96.6Very high93.8Very high5 Ų534.2 Ų34.23%0.02617%0.173CC..Hα-helixtrans-75.7-29.5-177.9-64.3175.5000113.2V600 L666 Y667 L670 L704 L711 D712 M759V600-L708 HydrophobicContact CG1-CD2 4.15Å; V600-L708 HydrophobicContact CG2-CD2 3.9Å; L666-L708 HydrophobicContact CB-CD1 4.48Å; L666-L708 HydrophobicContact CD2-CD1 3.53Å; L666-L708 HydrophobicContact CD2-CD2 4.49Å; L666-L708 HydrophobicContact CG-CD1 3.72Å; Y667-L708 HydrophobicContact CD2-CB 4.06Å; Y667-L708 HydrophobicContact CG-CB 4.4Å; L670-L708 HydrophobicContact CD1-CD1 4.15Å; L704-L708 HydrophobicContact CD1-CD1 3.92Å; L704-L708 HydrophobicContact CD1-CD2 4.39Å; L704-L708 HydrophobicContact CD1-CG 3.91Å; L704-L708 HydrophobicContact CD2-CD1 4.32Å; L704-L708 HydrophobicContact CG-CD1 3.71Å; L704-L708 HydrophobicContact CG-CG 4.16Å; L704-L708 WeakPolarHBondContact O-CG 3.48Å; L704-L708 PolarHBondContact O-N 2.9Å; L708-L711 PolarHBondContact O-N 3.45Å; L708-D712 PolarHBondContact O-N 3.41Å; L708-M759 HydrophobicContact CD2-CE 3.84Å
709K95.8Very high93.7Very high112 Ų11234.7 Ų34.749%0.48718%0.178SC..Hα-helixtrans-54.6-50.1-175.8178179.2-174.3-175.30113.6Y667 C705 L711 D712 V713Y667-K709 HydrophobicContact CD2-CB 4.2Å; Y667-K709 HydrophobicContact CE1-CG 4.49Å; Y667-K709 HydrophobicContact CE2-CB 3.5Å; Y667-K709 HydrophobicContact CE2-CG 4.08Å; Y667-K709 WeakPolarHBondContact OH-CG 3.46Å; C705-K709 WeakPolarHBondContact O-CB 3.47Å; C705-K709 PolarHBondContact O-N 3Å; K709-L711 VanDerWaalsContact C-N 3.29Å; K709-L711 PolarHBondContact O-N 3.16Å; K709-D712 PolarHBondContact O-N 3.33Å; K709-V713 HydrophobicContact CG-CG2 4.36Å; K709-V713 WeakPolarHBondContact O-CB 3.3Å; K709-V713 VanDerWaalsContact O-CG2 3.24Å; K709-V713 WeakPolarHBondContact O-CG2 3.08Å; K709-V713 PolarHBondContact O-N 3.1Å
710P96.5Very high93.5Very high20 Ų2038.5 Ų38.513%0.1320%0.195CC..Hα-helixtrans-62.3-34.8-180-24.136.7000113.4L706 V707 A714 L736 H740L706-P710 WeakPolarHBondContact O-CD 3.4Å; V707-P710 WeakPolarHBondContact O-CD 3.3Å; P710-A714 WeakPolarHBondContact O-CB 3.5Å; P710-A714 PolarHBondContact O-N 2.85Å; P710-L736 HydrophobicContact CB-CD2 3.65Å; P710-H740 HydrophobicContact CB-CB 3.93Å; P710-H740 HydrophobicContact CG-CB 3.86Å
711L95.6Very high93Very high3 Ų340.2 Ų40.22%0.01620%0.201CC..Hα-helixtrans-70.2-46.7177.6-67.4158.1000111.3V596 L708 K709 V713 A714 C715 L736 M759 L763V596-L711 HydrophobicContact CG1-CB 4.25Å; V596-L711 HydrophobicContact CG1-CD2 4.29Å; V596-L711 HydrophobicContact CG2-CD2 4.08Å; L708-L711 PolarHBondContact O-N 3.45Å; K709-L711 VanDerWaalsContact C-N 3.29Å; K709-L711 PolarHBondContact O-N 3.16Å; L711-V713 VanDerWaalsContact C-N 3.31Å; L711-V713 PolarHBondContact O-N 2.83Å; L711-A714 WeakPolarHBondContact O-CB 3.27Å; L711-A714 PolarHBondContact O-N 3.42Å; L711-A714 VanDerWaalsContact O-N 3.15Å; L711-C715 PolarHBondContact O-N 3.03Å; L711-C715 PolarHBondContact O-SG 3.01Å; L711-L736 HydrophobicContact CD2-CD1 3.94Å; L711-L736 HydrophobicContact CD2-CD2 4.33Å; L711-M759 HydrophobicContact CD1-CE 3.48Å; L711-M759 VanDerWaalsContact CD1-CE 3.48Å; L711-M759 HydrophobicContact CD1-CG 3.71Å; L711-M759 HydrophobicContact CD1-SD 3.52Å; L711-M759 VanDerWaalsContact CD1-SD 3.52Å; L711-L763 HydrophobicContact CD2-CD2 4.21Å
712D93.6Very high92.4Very high16 Ų1645.4 Ų45.49%0.08624%0.244CC..Hα-helixtrans-60.5-41.8175.2175.588.6000111.2Y667 L708 K709 A714 C715 R716Y667-D712 HydrophobicContact CD1-CB 3.57Å; Y667-D712 WeakPolarHBondContact CD1-OD2 3.02Å; Y667-D712 HydrophobicContact CE1-CB 4.3Å; Y667-D712 WeakPolarHBondContact CE1-OD2 3.25Å; Y667-D712 HydrophobicContact CG-CB 3.91Å; L708-D712 PolarHBondContact O-N 3.41Å; K709-D712 PolarHBondContact O-N 3.33Å; D712-A714 PolarHBondContact O-N 2.84Å; D712-C715 PolarHBondContact O-N 2.6Å; D712-R716 WeakPolarHBondContact O-CB 3.43Å; D712-R716 VanDerWaalsContact O-CG 3.23Å; D712-R716 WeakPolarHBondContact O-CG 3.34Å; D712-R716 PolarHBondContact O-N 2.71Å; D712-R716 IonicContact OD1-CZ 2.96Å; D712-R716 IonicContact OD1-NE 3.77Å; D712-R716 PolarHBondContact OD1-NE 3.13Å; D712-R716 IonicContact OD1-NH2 2.64Å; D712-R716 PolarHBondContact OD1-NH2 3.35Å; D712-R716 VanDerWaalsContact OD2-CD 3.26Å; D712-R716 WeakPolarHBondContact OD2-CD 3.2Å; D712-R716 IonicContact OD2-CZ 3.77Å; D712-R716 IonicContact OD2-NE 2.77Å; D712-R716 PolarHBondContact OD2-NE 2.81Å
713V94.3Very high92Very high73 Ų7343.4 Ų43.444%0.44223%0.234SC..Hα-helixtrans-61.8-42.3174.2170.70000111.4K709 L711 T717K709-V713 HydrophobicContact CG-CG2 4.36Å; K709-V713 WeakPolarHBondContact O-CB 3.3Å; K709-V713 VanDerWaalsContact O-CG2 3.24Å; K709-V713 WeakPolarHBondContact O-CG2 3.08Å; K709-V713 PolarHBondContact O-N 3.1Å; L711-V713 VanDerWaalsContact C-N 3.31Å; L711-V713 PolarHBondContact O-N 2.83Å; V713-T717 WeakPolarHBondContact O-CB 3.25Å; V713-T717 PolarHBondContact O-N 2.98Å; V713-T717 PolarHBondContact O-OG1 3.22Å
714A94.9Very high91.8Very high8 Ų843.2 Ų43.27%0.06624%0.235CC..Hα-helixtrans-62.4-49.8176.300000111.7F592 P710 L711 D712 R716 T717 L718 I732 L736F592-A714 HydrophobicContact CE1-CB 4.1Å; F592-A714 HydrophobicContact CZ-CB 4.14Å; P710-A714 WeakPolarHBondContact O-CB 3.5Å; P710-A714 PolarHBondContact O-N 2.85Å; L711-A714 WeakPolarHBondContact O-CB 3.27Å; L711-A714 PolarHBondContact O-N 3.42Å; L711-A714 VanDerWaalsContact O-N 3.15Å; D712-A714 PolarHBondContact O-N 2.84Å; A714-R716 PolarHBondContact O-N 2.72Å; A714-T717 WeakPolarHBondContact O-CB 3.39Å; A714-T717 PolarHBondContact O-N 2.78Å; A714-T717 VanDerWaalsContact O-N 3.15Å; A714-L718 PolarHBondContact O-N 3.13Å; A714-I732 HydrophobicContact CB-CG2 3.79Å; A714-L736 HydrophobicContact CB-CD1 4.43Å
715C94.2Very high91.6Very high0 Ų043.6 Ų43.60%024%0.235CC..Hα-helixtrans-61.2-43.1177.9-65.70000112.1F593 L711 D712 T717 L718 A719 F916F593-C715 HydrophobicContact CD1-CB 4.44Å; F593-C715 HydrophobicContact CE1-CB 3.84Å; F593-C715 HydrophobicContact CZ-CB 4.07Å; F593-C715 WeakPolarHBondContact CZ-O 3.32Å; L711-C715 PolarHBondContact O-N 3.03Å; L711-C715 PolarHBondContact O-SG 3.01Å; D712-C715 PolarHBondContact O-N 2.6Å; C715-T717 VanDerWaalsContact C-N 3.29Å; C715-T717 PolarHBondContact O-N 3.35Å; C715-L718 PolarHBondContact O-N 2.94Å; C715-A719 VanDerWaalsContact O-CB 3.25Å; C715-A719 WeakPolarHBondContact O-CB 3.46Å; C715-A719 PolarHBondContact O-N 3.08Å; C715-F916 HydrophobicContact CB-CD1 4.44Å; C715-F916 HydrophobicContact CB-CE1 3.78Å; C715-F916 HydrophobicContact CB-CE2 3.91Å; C715-F916 HydrophobicContact CB-CZ 3.49Å; C715-F916 VanDerWaalsContact CB-CZ 3.49Å
716R90.8Very high91.5Very high67 Ų6743.2 Ų43.225%0.25323%0.233SC..Hα-helixtrans-66.2-29.9175.8-72.3177.6-171.7-76.9-8.7113.4D712 A714 K720 F916 E919D712-R716 WeakPolarHBondContact O-CB 3.43Å; D712-R716 VanDerWaalsContact O-CG 3.23Å; D712-R716 WeakPolarHBondContact O-CG 3.34Å; D712-R716 PolarHBondContact O-N 2.71Å; D712-R716 IonicContact OD1-CZ 2.96Å; D712-R716 IonicContact OD1-NE 3.77Å; D712-R716 PolarHBondContact OD1-NE 3.13Å; D712-R716 IonicContact OD1-NH2 2.64Å; D712-R716 PolarHBondContact OD1-NH2 3.35Å; D712-R716 VanDerWaalsContact OD2-CD 3.26Å; D712-R716 WeakPolarHBondContact OD2-CD 3.2Å; D712-R716 IonicContact OD2-CZ 3.77Å; D712-R716 IonicContact OD2-NE 2.77Å; D712-R716 PolarHBondContact OD2-NE 2.81Å; A714-R716 PolarHBondContact O-N 2.72Å; R716-K720 VanDerWaalsContact O-CG 3.26Å; R716-K720 WeakPolarHBondContact O-CG 3.3Å; R716-K720 PolarHBondContact O-N 3.15Å; R716-F916 HydrophobicContact CG-CE1 3.67Å; R716-F916 HydrophobicContact CG-CZ 4.44Å; R716-E919 IonicContact CZ-OE1 2.62Å; R716-E919 IonicContact NH1-OE1 2.93Å; R716-E919 PolarHBondContact NH1-OE1 2.95Å; R716-E919 IonicContact NH2-OE1 3.78Å; R716-E919 PolarHBondContact NH2-OE1 3.22Å
717T90.9Very high91.5Very high72 Ų7238 Ų3844%0.44221%0.205SC..Hα-helixtrans-69-47.6176.3-59.20000109.6V713 A714 C715 K720V713-T717 WeakPolarHBondContact O-CB 3.25Å; V713-T717 PolarHBondContact O-N 2.98Å; V713-T717 PolarHBondContact O-OG1 3.22Å; A714-T717 WeakPolarHBondContact O-CB 3.39Å; A714-T717 PolarHBondContact O-N 2.78Å; A714-T717 VanDerWaalsContact O-N 3.15Å; C715-T717 VanDerWaalsContact C-N 3.29Å; C715-T717 PolarHBondContact O-N 3.35Å; T717-K720 PolarHBondContact O-N 3.05Å
718L91.9Very high91.5Very high0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-63.7-40.7175-69171.3000112.4F592 F593 A714 C715 K720 E721 P724 L728 I729 I732 A907F592-L718 HydrophobicContact CB-CD1 4.45Å; F592-L718 HydrophobicContact CD1-CD1 3.31Å; F592-L718 HydrophobicContact CE1-CD1 3.74Å; F592-L718 HydrophobicContact CG-CD1 4.04Å; F593-L718 HydrophobicContact CE1-CB 4.02Å; F593-L718 HydrophobicContact CE1-CD1 4.1Å; F593-L718 HydrophobicContact CZ-CB 4.32Å; A714-L718 PolarHBondContact O-N 3.13Å; C715-L718 PolarHBondContact O-N 2.94Å; L718-K720 PolarHBondContact O-N 3.42Å; L718-E721 PolarHBondContact O-N 2.88Å; L718-E721 VanDerWaalsContact O-N 3.16Å; L718-P724 HydrophobicContact CB-CB 4.32Å; L718-P724 HydrophobicContact CD2-CB 4.37Å; L718-L728 HydrophobicContact CD2-CB 4.02Å; L718-L728 HydrophobicContact CD2-CD1 3.62Å; L718-I729 HydrophobicContact CD1-CD1 3.93Å; L718-I732 HydrophobicContact CD1-CD1 4.3Å; L718-I732 HydrophobicContact CD2-CD1 4.14Å; L718-I732 HydrophobicContact CG-CD1 4.15Å; L718-A907 HydrophobicContact CD2-CB 4.24Å
719A89.5Confident91.4Very high15 Ų1538.6 Ų38.612%0.12421%0.209CC..Hα-helixtrans-67.8-16.4-18000000114.3F593 C715 F916 A917F593-A719 HydrophobicContact CZ-CB 4.21Å; C715-A719 VanDerWaalsContact O-CB 3.25Å; C715-A719 WeakPolarHBondContact O-CB 3.46Å; C715-A719 PolarHBondContact O-N 3.08Å; A719-F916 HydrophobicContact CB-CB 4.48Å; A719-F916 HydrophobicContact CB-CD1 3.86Å; A719-A917 HydrophobicContact CB-CB 4.29Å
720K87.3Confident91.4Very high182 Ų18234.2 Ų34.279%0.79119%0.189SC*.Hα-helixtrans-86.2-19.7175-78173.8-178.9-175.70113R716 T717 L718R716-K720 VanDerWaalsContact O-CG 3.26Å; R716-K720 WeakPolarHBondContact O-CG 3.3Å; R716-K720 PolarHBondContact O-N 3.15Å; T717-K720 PolarHBondContact O-N 3.05Å; L718-K720 PolarHBondContact O-N 3.42Å
721E83.4Confident91.2Very high56 Ų5634.3 Ų34.326%0.26219%0.19SC..SBendtrans-71.4137.5175.5-63-154.3141.600109.7L718 F723 R725 L728L718-E721 PolarHBondContact O-N 2.88Å; L718-E721 VanDerWaalsContact O-N 3.16Å; E721-F723 PolarHBondContact O-N 3.45Å; E721-R725 IonicContact OE1-NE 3.52Å; E721-R725 IonicContact OE1-NH2 3.08Å; E721-R725 PolarHBondContact OE1-NH2 3.03Å; E721-R725 PolarHBondContact OE2-N 3.29Å; E721-R725 IonicContact OE2-NE 2.68Å; E721-L728 HydrophobicContact CG-CD1 4.46Å; E721-L728 WeakPolarHBondContact OE1-CD1 3.36Å; E721-L728 WeakPolarHBondContact OE2-CD1 3.47Å
722A81.1Confident91.2Very high110 Ų11035.7 Ų35.791%0.90920%0.197SC*.SBendtrans-59.5-31.5173.600000111.6
723F86.4Confident91.3Very high25 Ų2535.3 Ų35.311%0.1120%0.195CC..SBendtrans-137.4108.2171.3-178.6-108.9000108.4H508 N519 E721 R725 M903 A904 P906H508-F723 AromaticContact ND1-CE2 3.86Å; N519-F723 WeakPolarHBondContact ND2-CD2 3.39Å; N519-F723 WeakPolarHBondContact OD1-CD2 3.21Å; N519-F723 WeakPolarHBondContact OD1-CE2 3.39Å; E721-F723 PolarHBondContact O-N 3.45Å; F723-R725 HydrophobicContact CD1-CG 3.66Å; F723-R725 HydrophobicContact CE1-CG 4.11Å; F723-R725 WeakPolarHBondContact O-CG 3.46Å; F723-R725 PolarHBondContact O-N 3.29Å; F723-R725 VanDerWaalsContact O-N 3.13Å; F723-M903 WeakPolarHBondContact CE1-O 3.37Å; F723-A904 VanDerWaalsContact CZ-O 3.28Å; F723-A904 WeakPolarHBondContact CZ-O 3.35Å; F723-P906 HydrophobicContact CE2-CB 3.84Å; F723-P906 HydrophobicContact CZ-CB 3.73Å; F723-P906 HydrophobicContact CZ-CG 4.44Å
724P87.4Confident91.2Very high12 Ų1233.2 Ų33.28%0.07818%0.182CC..  trans-67.9109179.4-14.326.6000109.8L718 P906 A907 V908 A913L718-P724 HydrophobicContact CB-CB 4.32Å; L718-P724 HydrophobicContact CD2-CB 4.37Å; P724-P906 CarbonylContact O-C 3.57Å; P724-P906 VanDerWaalsContact O-CA 3.27Å; P724-P906 WeakPolarHBondContact O-CA 3.36Å; P724-A907 HydrophobicContact CB-CB 4.21Å; P724-A907 PolarHBondContact O-N 3.13Å; P724-V908 HydrophobicContact CB-CB 4.46Å; P724-V908 HydrophobicContact CB-CG2 4.15Å; P724-V908 HydrophobicContact CG-CB 4.44Å; P724-V908 HydrophobicContact CG-CG2 4.48Å; P724-A913 HydrophobicContact CG-CB 3.57Å
725R90.3Very high91.1Very high15 Ų1533.7 Ų33.76%0.05719%0.189CC..BIsolated β-bridgetrans-86.5142.5-171.4-66.5164.4-53.4109.71.3112.7E721 F723 S727 L728 D783 A907E721-R725 IonicContact OE1-NE 3.52Å; E721-R725 IonicContact OE1-NH2 3.08Å; E721-R725 PolarHBondContact OE1-NH2 3.03Å; E721-R725 PolarHBondContact OE2-N 3.29Å; E721-R725 IonicContact OE2-NE 2.68Å; F723-R725 HydrophobicContact CD1-CG 3.66Å; F723-R725 HydrophobicContact CE1-CG 4.11Å; F723-R725 WeakPolarHBondContact O-CG 3.46Å; F723-R725 PolarHBondContact O-N 3.29Å; F723-R725 VanDerWaalsContact O-N 3.13Å; R725-S727 PolarHBondContact NH1-OG 3.17Å; R725-S727 PolarHBondContact O-N 2.87Å; R725-L728 PolarHBondContact O-N 3.38Å; R725-D783 IonicContact CZ-OD2 3.82Å; R725-D783 IonicContact NH1-OD2 2.76Å; R725-D783 PolarHBondContact NH1-OD2 3.36Å; R725-D783 IonicContact NH2-OD2 2.64Å; R725-A907 WeakPolarHBondContact O-CB 3.45Å
726L93.2Very high91.2Very high2 Ų234 Ų341%0.0119%0.19CC..G310 helixtrans-60-29.9177.8-170.762.5000113.2L558 V589 L728 I729 V775 L776 A779 A905L558-L726 HydrophobicContact CD2-CD2 3.63Å; V589-L726 HydrophobicContact CG1-CD1 3.93Å; L726-L728 PolarHBondContact O-N 3.5Å; L726-I729 HydrophobicContact CD1-CG1 4.11Å; L726-I729 WeakPolarHBondContact O-CB 3.28Å; L726-I729 PolarHBondContact O-N 3.4Å; L726-V775 HydrophobicContact CD2-CG1 3.66Å; L726-L776 HydrophobicContact CD1-CD2 3.52Å; L726-L776 HydrophobicContact CD2-CD2 4.37Å; L726-L776 HydrophobicContact CG-CD2 3.85Å; L726-A779 HydrophobicContact CB-CB 4.46Å; L726-A779 HydrophobicContact CD2-CB 4.4Å; L726-A779 HydrophobicContact CG-CB 4.34Å; L726-A905 HydrophobicContact CB-CB 3.92Å; L726-A905 WeakPolarHBondContact CB-O 3.31Å; L726-A905 HydrophobicContact CD2-CB 3.73Å; L726-A905 HydrophobicContact CG-CB 4.47Å; L726-A905 PolarHBondContact N-O 2.79Å
727S93.5Very high91.4Very high1 Ų132.3 Ų32.31%0.00719%0.186CC..G310 helixtrans-58-22.6-179.965.40000114.6R725 P731 A779 D783R725-S727 PolarHBondContact NH1-OG 3.17Å; R725-S727 PolarHBondContact O-N 2.87Å; S727-P731 WeakPolarHBondContact O-CD 3.36Å; S727-A779 WeakPolarHBondContact CB-O 3.24Å; S727-D783 WeakPolarHBondContact CB-OD2 3.32Å; S727-D783 PolarHBondContact OG-OD2 3.49Å
728L93.6Very high91.3Very high19 Ų1932.4 Ų32.410%0.09919%0.19CC..G310 helixtrans-78.6-20.4178.8-65.9172.7000113.7L718 E721 R725 L726 P731 I732 F786L718-L728 HydrophobicContact CD2-CB 4.02Å; L718-L728 HydrophobicContact CD2-CD1 3.62Å; E721-L728 HydrophobicContact CG-CD1 4.46Å; E721-L728 WeakPolarHBondContact OE1-CD1 3.36Å; E721-L728 WeakPolarHBondContact OE2-CD1 3.47Å; R725-L728 PolarHBondContact O-N 3.38Å; L726-L728 PolarHBondContact O-N 3.5Å; L728-P731 WeakPolarHBondContact O-CD 3.47Å; L728-I732 HydrophobicContact CB-CD1 4.02Å; L728-I732 WeakPolarHBondContact O-CB 3.48Å; L728-I732 WeakPolarHBondContact O-CD1 3.18Å; L728-I732 WeakPolarHBondContact O-CG1 3.22Å; L728-I732 PolarHBondContact O-N 3.19Å; L728-I732 VanDerWaalsContact O-N 3.12Å; L728-F786 HydrophobicContact CD2-CE2 3.82Å; L728-F786 HydrophobicContact CD2-CZ 3.77Å
729I95.3Very high91.2Very high2 Ų240.5 Ų40.51%0.0122%0.22CC..Hα-helixtrans-68.1-45.3-170.5-64.4-51000111.6F592 L718 L726 I732 L733 Y767 L776 A907F592-I729 HydrophobicContact CB-CD1 3.65Å; F592-I729 HydrophobicContact CD1-CD1 4.28Å; F592-I729 HydrophobicContact CD2-CD1 3.75Å; F592-I729 HydrophobicContact CD2-CG2 4.44Å; F592-I729 HydrophobicContact CE2-CD1 4.48Å; F592-I729 HydrophobicContact CG-CD1 3.63Å; L718-I729 HydrophobicContact CD1-CD1 3.93Å; L726-I729 HydrophobicContact CD1-CG1 4.11Å; L726-I729 WeakPolarHBondContact O-CB 3.28Å; L726-I729 PolarHBondContact O-N 3.4Å; I729-I732 PolarHBondContact O-N 3.04Å; I729-L733 HydrophobicContact CG2-CD1 3.53Å; I729-L733 HydrophobicContact CG2-CG 3.92Å; I729-L733 WeakPolarHBondContact O-CB 3.5Å; I729-L733 VanDerWaalsContact O-CG 3.28Å; I729-L733 WeakPolarHBondContact O-CG 3.35Å; I729-L733 PolarHBondContact O-N 2.94Å; I729-Y767 HydrophobicContact CG2-CE1 4.22Å; I729-L776 HydrophobicContact CB-CD2 3.95Å; I729-L776 HydrophobicContact CG2-CD1 3.98Å; I729-L776 HydrophobicContact CG2-CD2 3.84Å; I729-A907 HydrophobicContact CD1-CB 3.66Å; I729-A907 HydrophobicContact CG1-CB 3.72Å
730K94.8Very high91.4Very high20 Ų2044.5 Ų44.59%0.08724%0.236CC..Hα-helixtrans-60.7-47.6-179.8-177.266.9177.4-173.60113T734 N773 L776 C780 F791 M792K730-T734 WeakPolarHBondContact O-CB 3.28Å; K730-T734 PolarHBondContact O-N 3.46Å; K730-T734 PolarHBondContact O-OG1 3.08Å; K730-N773 PolarHBondContact NZ-OD1 3.19Å; K730-L776 HydrophobicContact CB-CB 4.15Å; K730-C780 HydrophobicContact CB-CB 4.13Å; K730-F791 HydrophobicContact CG-CE2 4.02Å; K730-F791 HydrophobicContact CG-CZ 4.22Å; K730-M792 HydrophobicContact CG-SD 4.44Å
731P93.2Very high91.7Very high23 Ų2335.8 Ų35.815%0.14920%0.198CC..Hα-helixtrans-59.9-44.7172.9-22.829.7000113.4S727 L728 T734 G735 F786 F791S727-P731 WeakPolarHBondContact O-CD 3.36Å; L728-P731 WeakPolarHBondContact O-CD 3.47Å; P731-T734 PolarHBondContact O-N 3.5Å; P731-G735 PolarHBondContact O-N 3.28Å; P731-F786 HydrophobicContact CB-CE1 4.2Å; P731-F786 HydrophobicContact CB-CZ 4.29Å; P731-F786 HydrophobicContact CG-CD1 4Å; P731-F786 HydrophobicContact CG-CD2 3.81Å; P731-F786 HydrophobicContact CG-CE1 3.92Å; P731-F786 HydrophobicContact CG-CE2 3.76Å; P731-F786 HydrophobicContact CG-CG 3.97Å; P731-F786 HydrophobicContact CG-CZ 3.81Å; P731-F791 HydrophobicContact CB-CE1 4.3Å; P731-F791 HydrophobicContact CB-CE2 4.3Å; P731-F791 HydrophobicContact CB-CZ 4.18Å; P731-F791 HydrophobicContact CG-CE1 3.85Å; P731-F791 HydrophobicContact CG-CE2 4.22Å; P731-F791 HydrophobicContact CG-CZ 3.67Å
732I95.3Very high92.1Very high31 Ų3135 Ų3516%0.15920%0.197CC..Hα-helixtrans-61.7-49.9179.6-72.3170.8000110.4F592 A714 L718 L728 I729 T734 G735 L736F592-I732 HydrophobicContact CE1-CG2 4.44Å; F592-I732 HydrophobicContact CE2-CG2 4.06Å; F592-I732 HydrophobicContact CZ-CG2 3.66Å; A714-I732 HydrophobicContact CB-CG2 3.79Å; L718-I732 HydrophobicContact CD1-CD1 4.3Å; L718-I732 HydrophobicContact CD2-CD1 4.14Å; L718-I732 HydrophobicContact CG-CD1 4.15Å; L728-I732 HydrophobicContact CB-CD1 4.02Å; L728-I732 WeakPolarHBondContact O-CB 3.48Å; L728-I732 WeakPolarHBondContact O-CD1 3.18Å; L728-I732 WeakPolarHBondContact O-CG1 3.22Å; L728-I732 PolarHBondContact O-N 3.19Å; L728-I732 VanDerWaalsContact O-N 3.12Å; I729-I732 PolarHBondContact O-N 3.04Å; I732-T734 VanDerWaalsContact C-N 3.34Å; I732-T734 PolarHBondContact O-N 2.91Å; I732-G735 PolarHBondContact O-N 3.12Å; I732-L736 HydrophobicContact CG2-CD1 3.73Å; I732-L736 HydrophobicContact CG2-CG 4.27Å; I732-L736 WeakPolarHBondContact O-CB 3.2Å; I732-L736 VanDerWaalsContact O-CG 3.31Å; I732-L736 WeakPolarHBondContact O-CG 3.37Å; I732-L736 PolarHBondContact O-N 3.25Å
733L95.4Very high92.6Very high9 Ų931.6 Ų31.65%0.04717%0.166CC..Hα-helixtrans-58.5-45.9177.2-73.8176000111.2F592 I729 G735 L736 L737 L763 Y767 L776F592-L733 HydrophobicContact CE2-CD2 4.02Å; I729-L733 HydrophobicContact CG2-CD1 3.53Å; I729-L733 HydrophobicContact CG2-CG 3.92Å; I729-L733 WeakPolarHBondContact O-CB 3.5Å; I729-L733 VanDerWaalsContact O-CG 3.28Å; I729-L733 WeakPolarHBondContact O-CG 3.35Å; I729-L733 PolarHBondContact O-N 2.94Å; L733-G735 VanDerWaalsContact C-N 3.32Å; L733-G735 PolarHBondContact O-N 3.23Å; L733-L736 PolarHBondContact O-N 3.21Å; L733-L737 VanDerWaalsContact O-CB 3.32Å; L733-L737 WeakPolarHBondContact O-CB 3.44Å; L733-L737 VanDerWaalsContact O-CG 3.3Å; L733-L737 WeakPolarHBondContact O-CG 3.42Å; L733-L737 PolarHBondContact O-N 2.88Å; L733-L763 HydrophobicContact CD2-CD1 4.01Å; L733-L763 HydrophobicContact CD2-CD2 4.05Å; L733-L763 HydrophobicContact CD2-CG 3.88Å; L733-Y767 HydrophobicContact CD1-CD1 4Å; L733-Y767 HydrophobicContact CD1-CD2 3.61Å; L733-Y767 HydrophobicContact CD1-CE1 4.37Å; L733-Y767 HydrophobicContact CD1-CE2 4.01Å; L733-Y767 HydrophobicContact CD1-CG 3.62Å; L733-Y767 HydrophobicContact CD2-CD2 3.76Å; L733-Y767 HydrophobicContact CD2-CE2 3.84Å; L733-Y767 HydrophobicContact CG-CD2 4.35Å; L733-Y767 HydrophobicContact CG-CE2 4.5Å; L733-L776 HydrophobicContact CD1-CD1 4Å
734T93.1Very high92.6Very high28 Ų2837.2 Ų37.217%0.17219%0.186CC..Hα-helixtrans-60.5-43.8178.7-54.10000111.1K730 P731 I732 S738 F791K730-T734 WeakPolarHBondContact O-CB 3.28Å; K730-T734 PolarHBondContact O-N 3.46Å; K730-T734 PolarHBondContact O-OG1 3.08Å; P731-T734 PolarHBondContact O-N 3.5Å; I732-T734 VanDerWaalsContact C-N 3.34Å; I732-T734 PolarHBondContact O-N 2.91Å; T734-S738 WeakPolarHBondContact O-CB 3.39Å; T734-S738 PolarHBondContact O-N 3.13Å; T734-S738 PolarHBondContact O-OG 3.16Å; T734-F791 HydrophobicContact CG2-CD2 3.99Å
735G92.8Very high92.1Very high19 Ų1942.8 Ų42.820%0.19622%0.222CC..Hα-helixtrans-62.6-47.2175.100000113P731 I732 L733 R739 H740P731-G735 PolarHBondContact O-N 3.28Å; I732-G735 PolarHBondContact O-N 3.12Å; L733-G735 VanDerWaalsContact C-N 3.32Å; L733-G735 PolarHBondContact O-N 3.23Å; G735-R739 VanDerWaalsContact O-CB 3.27Å; G735-R739 WeakPolarHBondContact O-CB 3.36Å; G735-R739 PolarHBondContact O-N 2.96Å; G735-H740 PolarHBondContact O-CD2 3.49Å; G735-H740 PolarHBondContact O-N 3.43Å
736L95.5Very high91.4Very high6 Ų645.3 Ų45.33%0.03125%0.253CS..Iπ-helixtrans-62.7-54.6179.6-71173.5000111.5F592 P710 L711 A714 I732 L733 H740 L741 L763F592-L736 HydrophobicContact CE2-CD1 4.44Å; F592-L736 HydrophobicContact CZ-CD1 4.01Å; P710-L736 HydrophobicContact CB-CD2 3.65Å; L711-L736 HydrophobicContact CD2-CD1 3.94Å; L711-L736 HydrophobicContact CD2-CD2 4.33Å; A714-L736 HydrophobicContact CB-CD1 4.43Å; I732-L736 HydrophobicContact CG2-CD1 3.73Å; I732-L736 HydrophobicContact CG2-CG 4.27Å; I732-L736 WeakPolarHBondContact O-CB 3.2Å; I732-L736 VanDerWaalsContact O-CG 3.31Å; I732-L736 WeakPolarHBondContact O-CG 3.37Å; I732-L736 PolarHBondContact O-N 3.25Å; L733-L736 PolarHBondContact O-N 3.21Å; L736-H740 PolarHBondContact O-N 3.03Å; L736-L741 HydrophobicContact CB-CD1 4.33Å; L736-L741 WeakPolarHBondContact O-CB 3.36Å; L736-L741 WeakPolarHBondContact O-CG 3.31Å; L736-L741 PolarHBondContact O-N 3.25Å; L736-L763 HydrophobicContact CB-CD2 4.28Å; L736-L763 HydrophobicContact CD1-CD2 3.91Å
737L94.6Very high91Very high32 Ų3246.5 Ų46.517%0.16826%0.259CS..Iπ-helixtrans-71.4-36.2-173.7-63175.3000112.9L733 L741 V742 R760 L763 A764L733-L737 VanDerWaalsContact O-CB 3.32Å; L733-L737 WeakPolarHBondContact O-CB 3.44Å; L733-L737 VanDerWaalsContact O-CG 3.3Å; L733-L737 WeakPolarHBondContact O-CG 3.42Å; L733-L737 PolarHBondContact O-N 2.88Å; L737-L741 HydrophobicContact CD2-CD1 4.44Å; L737-V742 WeakPolarHBondContact O-CG2 3.19Å; L737-R760 HydrophobicContact CD2-CB 4.48Å; L737-R760 HydrophobicContact CD2-CG 3.76Å; L737-R760 WeakPolarHBondContact CD2-O 3.38Å; L737-R760 PolarHBondContact O-NE 3.45Å; L737-L763 HydrophobicContact CD2-CB 4.27Å; L737-L763 HydrophobicContact CD2-CD2 4.28Å; L737-L763 HydrophobicContact CD2-CG 4.38Å; L737-A764 HydrophobicContact CD1-CB 4.28Å; L737-A764 HydrophobicContact CD2-CB 4.26Å
738S90.5Very high90.2Very high74 Ų7450.9 Ų50.952%0.51729%0.29SS..Iπ-helixtrans-94.7-22.7-173.4-48.90000113.8T734 V742T734-S738 WeakPolarHBondContact O-CB 3.39Å; T734-S738 PolarHBondContact O-N 3.13Å; T734-S738 PolarHBondContact O-OG 3.16Å; S738-V742 VanDerWaalsContact O-CG2 3.3Å; S738-V742 WeakPolarHBondContact O-CG2 3.36Å
739R89.2Confident89.8Confident170 Ų17050.8 Ų50.864%0.64229%0.291SS*.Iπ-helixtrans-117.8-42.9-175.1-56.3-177.9173.6-177-1.5114.2G735 R744G735-R739 VanDerWaalsContact O-CB 3.27Å; G735-R739 WeakPolarHBondContact O-CB 3.36Å; G735-R739 PolarHBondContact O-N 2.96Å; R739-R744 PolarHBondContact O-NH2 3.3Å
740H92.9Very high89.5Confident98 Ų9855.5 Ų55.545%0.45433%0.325SS..Iπ-helixtrans-96.7-42.2-167.9-70.7-71.1000113.8P710 G735 L736P710-H740 HydrophobicContact CB-CB 3.93Å; P710-H740 HydrophobicContact CG-CB 3.86Å; G735-H740 PolarHBondContact O-CD2 3.49Å; G735-H740 PolarHBondContact O-N 3.43Å; L736-H740 PolarHBondContact O-N 3.03Å
741L94.2Very high89.3Confident0 Ų055.8 Ų55.80%033%0.327CS..SBendtrans-93.15.9-176.6-58.3177.2000113.3V707 L736 L737 P743 M759 R760 L763V707-L741 HydrophobicContact CG1-CD2 3.8Å; L736-L741 HydrophobicContact CB-CD1 4.33Å; L736-L741 WeakPolarHBondContact O-CB 3.36Å; L736-L741 WeakPolarHBondContact O-CG 3.31Å; L736-L741 PolarHBondContact O-N 3.25Å; L737-L741 HydrophobicContact CD2-CD1 4.44Å; L741-P743 WeakPolarHBondContact O-CD 3.01Å; L741-M759 HydrophobicContact CD1-CB 4.37Å; L741-M759 HydrophobicContact CD1-CG 3.89Å; L741-M759 HydrophobicContact CD2-CB 4.1Å; L741-M759 HydrophobicContact CD2-CG 3.8Å; L741-M759 HydrophobicContact CG-CG 4.5Å; L741-R760 HydrophobicContact CB-CB 3.91Å; L741-R760 HydrophobicContact CB-CG 4.38Å; L741-L763 HydrophobicContact CD1-CD2 4.13Å
742V92.6Very high89.2Confident39 Ų3955.1 Ų55.124%0.23632%0.322CS..SBendtrans-79.8123.1174.8-173.40000109.9L737 S738 R744L737-V742 WeakPolarHBondContact O-CG2 3.19Å; S738-V742 VanDerWaalsContact O-CG2 3.3Å; S738-V742 WeakPolarHBondContact O-CG2 3.36Å; V742-R744 PolarHBondContact O-N 3.35Å
743P90.6Very high89.1Confident38 Ų3856.6 Ų56.625%0.24733%0.327CS..  trans-62.2130.6170.7-18.830.9000110.5L741 D747 K753 K756 R757L741-P743 WeakPolarHBondContact O-CD 3.01Å; P743-D747 WeakPolarHBondContact CA-OD2 3.42Å; P743-K753 HydrophobicContact CB-CB 4.28Å; P743-K753 HydrophobicContact CB-CG 4.23Å; P743-K756 HydrophobicContact CG-CB 4.21Å; P743-R757 HydrophobicContact CG-CG 3.56Å
744R87.6Confident89Confident143 Ų14359.4 Ų59.454%0.5434%0.34SS..  trans-105.8152.2179.5-62-175.8-174-176.21.8110.7R739 V742 G746 D747 K753R739-R744 PolarHBondContact O-NH2 3.3Å; V742-R744 PolarHBondContact O-N 3.35Å; R744-G746 PolarHBondContact O-N 2.88Å; R744-D747 PolarHBondContact N-OD2 3.15Å; R744-D747 WeakPolarHBondContact O-CB 3.33Å; R744-D747 PolarHBondContact O-N 3.49Å; R744-K753 WeakPolarHBondContact O-CE 3.42Å
745P77Confident89.1Confident129 Ų12958.3 Ų58.384%0.83833%0.333SS*.THydrogen-bonded Turntrans-55.4-36.9176-25.534000112.9D747P745-D747 VanDerWaalsContact C-N 3.3Å; P745-D747 PolarHBondContact O-N 3.37Å
746G75.2Confident89.2Confident69 Ų6958.4 Ų58.471%0.71133%0.328SS*.THydrogen-bonded Turntrans-78.12.717800000116.3R744 S748R744-G746 PolarHBondContact O-N 2.88Å; G746-S748 PolarHBondContact O-N 3.12Å
747D84.1Confident89.2Confident26 Ų2663.2 Ų63.214%0.13935%0.346CS..  trans-69.4125.8176-72.7-22.6000110.7P743 R744 P745 S749 L752 K753 K756P743-D747 WeakPolarHBondContact CA-OD2 3.42Å; R744-D747 PolarHBondContact N-OD2 3.15Å; R744-D747 WeakPolarHBondContact O-CB 3.33Å; R744-D747 PolarHBondContact O-N 3.49Å; P745-D747 VanDerWaalsContact C-N 3.3Å; P745-D747 PolarHBondContact O-N 3.37Å; D747-S749 PolarHBondContact O-N 3.38Å; D747-L752 HydrophobicContact CB-CD2 3.94Å; D747-L752 HydrophobicContact CB-CG 4.43Å; D747-K753 HydrophobicContact CB-CD 4.39Å; D747-K753 HydrophobicContact CB-CG 3.86Å; D747-K753 VanDerWaalsContact O-CE 3.23Å; D747-K753 WeakPolarHBondContact O-CE 3.46Å; D747-K753 PolarHBondContact O-NZ 3.22Å; D747-K756 IonicContact OD1-NZ 2.75Å; D747-K756 PolarHBondContact OD1-NZ 3.08Å; D747-K756 IonicContact OD2-NZ 3.72Å; D747-K756 PolarHBondContact OD2-NZ 3.4Å
748S76.9Confident89.2Confident93 Ų9362.6 Ų62.665%0.6534%0.342SS*.  trans-71.3-16.8-164.8-46.10000116.5G746G746-S748 PolarHBondContact O-N 3.12Å
749S85.8Confident89.4Confident18 Ų1859 Ų5913%0.12632%0.318CS..  trans-141153.1-173.578.10000112.7E703 D747 I751 L752 K753E703-S749 VanDerWaalsContact OE1-CB 3.23Å; E703-S749 WeakPolarHBondContact OE1-CB 3.35Å; E703-S749 PolarHBondContact OE1-OG 2.77Å; E703-S749 VanDerWaalsContact OE1-OG 3.14Å; E703-S749 VanDerWaalsContact OE2-CB 3.25Å; E703-S749 WeakPolarHBondContact OE2-CB 3.3Å; E703-S749 PolarHBondContact OE2-OG 2.96Å; D747-S749 PolarHBondContact O-N 3.38Å; S749-I751 VanDerWaalsContact C-N 3.33Å; S749-I751 WeakPolarHBondContact OG-CG2 3.43Å; S749-L752 WeakPolarHBondContact OG-CB 3.45Å; S749-L752 PolarHBondContact OG-N 2.99Å; S749-K753 PolarHBondContact O-N 3.09Å
750S88.7Confident89.7Confident101 Ų10155.7 Ų55.771%0.70631%0.305SS*.Hα-helixtrans-65.9-36.7172.951.50000111.8K753 E754S750-K753 PolarHBondContact O-N 3.09Å; S750-E754 WeakPolarHBondContact O-CB 3.24Å; S750-E754 PolarHBondContact O-N 3.29Å
751I89.4Confident89.8Confident26 Ų2656.9 Ų56.913%0.13331%0.305CS..Hα-helixtrans-63.8-43178.5-177.363.1000111.9H606 V608 E703 S749 K753 E754 V755H606-I751 WeakPolarHBondContact CE1-CD1 3.44Å; V608-I751 HydrophobicContact CB-CD1 4.19Å; V608-I751 HydrophobicContact CG1-CD1 4.44Å; V608-I751 HydrophobicContact CG1-CG1 4.48Å; E703-I751 WeakPolarHBondContact OE2-CG2 3.1Å; S749-I751 VanDerWaalsContact C-N 3.33Å; S749-I751 WeakPolarHBondContact OG-CG2 3.43Å; I751-K753 VanDerWaalsContact C-N 3.33Å; I751-K753 PolarHBondContact O-N 2.83Å; I751-E754 PolarHBondContact O-N 3.2Å; I751-V755 HydrophobicContact CD1-CG2 3.86Å; I751-V755 HydrophobicContact CG1-CG2 4.14Å; I751-V755 WeakPolarHBondContact O-CB 3.35Å; I751-V755 WeakPolarHBondContact O-CG2 3.39Å; I751-V755 PolarHBondContact O-N 3.48Å
752L92.1Very high89.7Confident8 Ų857.7 Ų57.74%0.04231%0.31CS..Hα-helixtrans-60.6-44.3176.4175.958.9000111.3E703 V707 D747 S749 E754 K756E703-L752 HydrophobicContact CB-CB 4.27Å; E703-L752 HydrophobicContact CB-CD1 4.21Å; E703-L752 HydrophobicContact CG-CB 4.38Å; E703-L752 HydrophobicContact CG-CD2 4.3Å; V707-L752 HydrophobicContact CG2-CD1 3.44Å; V707-L752 VanDerWaalsContact CG2-CD1 3.44Å; D747-L752 HydrophobicContact CB-CD2 3.94Å; D747-L752 HydrophobicContact CB-CG 4.43Å; S749-L752 WeakPolarHBondContact OG-CB 3.45Å; S749-L752 PolarHBondContact OG-N 2.99Å; L752-E754 VanDerWaalsContact C-N 3.33Å; L752-K756 HydrophobicContact CD1-CD 4.37Å; L752-K756 HydrophobicContact CD1-CG 4.32Å; L752-K756 HydrophobicContact CG-CD 4.47Å; L752-K756 WeakPolarHBondContact O-CB 3.42Å; L752-K756 WeakPolarHBondContact O-CG 3.12Å; L752-K756 PolarHBondContact O-N 3.42Å
753K93.3Very high89.8Confident63 Ų6355.9 Ų55.927%0.27430%0.299SS..Hα-helixtrans-64.9-39177.8-66.2177.2179.6174.20111.3P743 R744 D747 S749 S750 I751 R757P743-K753 HydrophobicContact CB-CB 4.28Å; P743-K753 HydrophobicContact CB-CG 4.23Å; R744-K753 WeakPolarHBondContact O-CE 3.42Å; D747-K753 HydrophobicContact CB-CD 4.39Å; D747-K753 HydrophobicContact CB-CG 3.86Å; D747-K753 VanDerWaalsContact O-CE 3.23Å; D747-K753 WeakPolarHBondContact O-CE 3.46Å; D747-K753 PolarHBondContact O-NZ 3.22Å; S749-K753 PolarHBondContact O-N 3.09Å; S750-K753 PolarHBondContact O-N 3.09Å; I751-K753 VanDerWaalsContact C-N 3.33Å; I751-K753 PolarHBondContact O-N 2.83Å; K753-R757 WeakPolarHBondContact O-CG 3.1Å; K753-R757 PolarHBondContact O-N 3.29Å; K753-R757 VanDerWaalsContact O-N 3.1Å
754E93.3Very high89.9Confident68 Ų6855.3 Ų55.332%0.31830%0.297SS..Hα-helixtrans-63.1-54.2175.7-17156.6-131.400111.8S750 I751 L752 K756 R757 M758S750-E754 WeakPolarHBondContact O-CB 3.24Å; S750-E754 PolarHBondContact O-N 3.29Å; I751-E754 PolarHBondContact O-N 3.2Å; L752-E754 VanDerWaalsContact C-N 3.33Å; E754-K756 VanDerWaalsContact C-N 3.3Å; E754-K756 PolarHBondContact O-N 3.48Å; E754-R757 CarbonylContact O-C 3.38Å; E754-R757 WeakPolarHBondContact O-CA 3.18Å; E754-R757 WeakPolarHBondContact O-CB 3.35Å; E754-R757 PolarHBondContact O-N 3.16Å; E754-R757 IonicContact OE1-NH1 3.76Å; E754-R757 IonicContact OE2-CZ 2.65Å; E754-R757 IonicContact OE2-NH1 2.63Å; E754-R757 PolarHBondContact OE2-NH1 3.26Å; E754-M758 HydrophobicContact CG-CG 4.43Å; E754-M758 HydrophobicContact CG-SD 4.21Å; E754-M758 WeakPolarHBondContact O-CG 3.26Å; E754-M758 PolarHBondContact O-N 3.01Å
755V94.9Very high90.1Very high5 Ų551.6 Ų51.63%0.0329%0.293CS..Hα-helixtrans-61-39.5-178.5175.50000111.3V603 I609 L704 V707 I751 M758 M759V603-V755 HydrophobicContact CG1-CG1 3.67Å; V603-V755 HydrophobicContact CG2-CG1 4.12Å; I609-V755 HydrophobicContact CD1-CG1 4.4Å; I609-V755 HydrophobicContact CD1-CG2 3.53Å; L704-V755 HydrophobicContact CD1-CG1 4.3Å; V707-V755 HydrophobicContact CB-CG1 4.37Å; V707-V755 HydrophobicContact CG1-CG1 4.15Å; V707-V755 HydrophobicContact CG2-CG1 4.25Å; I751-V755 HydrophobicContact CD1-CG2 3.86Å; I751-V755 HydrophobicContact CG1-CG2 4.14Å; I751-V755 WeakPolarHBondContact O-CB 3.35Å; I751-V755 WeakPolarHBondContact O-CG2 3.39Å; I751-V755 PolarHBondContact O-N 3.48Å; V755-M758 PolarHBondContact O-N 2.93Å; V755-M759 VanDerWaalsContact O-CB 3.29Å; V755-M759 WeakPolarHBondContact O-CB 3.49Å; V755-M759 PolarHBondContact O-N 3.24Å
756K95.6Very high90.7Very high20 Ų2046.8 Ų46.89%0.08726%0.262CS..Hα-helixtrans-60-43.8171.7-80.1-177.2-179.3179.40112.2V707 P743 D747 L752 E754 R760V707-K756 HydrophobicContact CG1-CG 4.49Å; V707-K756 HydrophobicContact CG2-CG 3.82Å; P743-K756 HydrophobicContact CG-CB 4.21Å; D747-K756 IonicContact OD1-NZ 2.75Å; D747-K756 PolarHBondContact OD1-NZ 3.08Å; D747-K756 IonicContact OD2-NZ 3.72Å; D747-K756 PolarHBondContact OD2-NZ 3.4Å; L752-K756 HydrophobicContact CD1-CD 4.37Å; L752-K756 HydrophobicContact CD1-CG 4.32Å; L752-K756 HydrophobicContact CG-CD 4.47Å; L752-K756 WeakPolarHBondContact O-CB 3.42Å; L752-K756 WeakPolarHBondContact O-CG 3.12Å; L752-K756 PolarHBondContact O-N 3.42Å; E754-K756 VanDerWaalsContact C-N 3.3Å; E754-K756 PolarHBondContact O-N 3.48Å; K756-R760 WeakPolarHBondContact O-CB 3.45Å; K756-R760 PolarHBondContact O-N 3.46Å
757R94.7Very high91.5Very high108 Ų10844.3 Ų44.341%0.40823%0.232SC..Hα-helixtrans-65.8-43.5177.4-76.1-173.7-108.395.4-2.8112P743 K753 E754 R760 R761P743-R757 HydrophobicContact CG-CG 3.56Å; K753-R757 WeakPolarHBondContact O-CG 3.1Å; K753-R757 PolarHBondContact O-N 3.29Å; K753-R757 VanDerWaalsContact O-N 3.1Å; E754-R757 CarbonylContact O-C 3.38Å; E754-R757 WeakPolarHBondContact O-CA 3.18Å; E754-R757 WeakPolarHBondContact O-CB 3.35Å; E754-R757 PolarHBondContact O-N 3.16Å; E754-R757 IonicContact OE1-NH1 3.76Å; E754-R757 IonicContact OE2-CZ 2.65Å; E754-R757 IonicContact OE2-NH1 2.63Å; E754-R757 PolarHBondContact OE2-NH1 3.26Å; R757-R760 PolarHBondContact O-N 2.97Å; R757-R761 VanDerWaalsContact O-CB 3.25Å; R757-R761 WeakPolarHBondContact O-CB 3.42Å; R757-R761 PolarHBondContact O-N 3.34Å
758M94.6Very high91.7Very high18 Ų1848.6 Ų48.69%0.08925%0.254CS..Hα-helixtrans-57.8-56175-66.7177.666.800111.1E602 E754 V755 R760 R761 N762E602-M758 HydrophobicContact CG-CE 4.19Å; E754-M758 HydrophobicContact CG-CG 4.43Å; E754-M758 HydrophobicContact CG-SD 4.21Å; E754-M758 WeakPolarHBondContact O-CG 3.26Å; E754-M758 PolarHBondContact O-N 3.01Å; V755-M758 PolarHBondContact O-N 2.93Å; M758-R760 VanDerWaalsContact C-N 3.33Å; M758-R760 PolarHBondContact O-N 3.36Å; M758-R761 PolarHBondContact O-N 2.91Å; M758-N762 VanDerWaalsContact O-CG 3.23Å; M758-N762 PolarHBondContact O-N 3.36Å; M758-N762 PolarHBondContact O-ND2 2.92Å; M758-N762 PolarHBondContact O-OD1 3.44Å
759M94.6Very high92.3Very high0 Ų046.8 Ų46.80%024%0.242CC..Hα-helixtrans-59.9-41.5-178.9-165.276.182.400112.3C599 V600 V603 V707 L708 L711 L741 V755 L763C599-M759 HydrophobicContact CB-SD 3.47Å; C599-M759 WeakPolarHBondContact CB-SD 3.44Å; V600-M759 HydrophobicContact CG2-CE 4.14Å; V603-M759 HydrophobicContact CB-CE 4.34Å; V603-M759 HydrophobicContact CG2-CE 3.84Å; V603-M759 HydrophobicContact CG2-SD 4.33Å; V707-M759 HydrophobicContact CG1-CB 4.37Å; V707-M759 HydrophobicContact CG1-CE 4.17Å; V707-M759 HydrophobicContact CG1-CG 4.4Å; L708-M759 HydrophobicContact CD2-CE 3.84Å; L711-M759 HydrophobicContact CD1-CE 3.48Å; L711-M759 VanDerWaalsContact CD1-CE 3.48Å; L711-M759 HydrophobicContact CD1-CG 3.71Å; L711-M759 HydrophobicContact CD1-SD 3.52Å; L711-M759 VanDerWaalsContact CD1-SD 3.52Å; L741-M759 HydrophobicContact CD1-CB 4.37Å; L741-M759 HydrophobicContact CD1-CG 3.89Å; L741-M759 HydrophobicContact CD2-CB 4.1Å; L741-M759 HydrophobicContact CD2-CG 3.8Å; L741-M759 HydrophobicContact CG-CG 4.5Å; V755-M759 VanDerWaalsContact O-CB 3.29Å; V755-M759 WeakPolarHBondContact O-CB 3.49Å; V755-M759 PolarHBondContact O-N 3.24Å; M759-L763 WeakPolarHBondContact O-CB 3.21Å; M759-L763 PolarHBondContact O-N 3.09Å
760R95.4Very high92.5Very high100 Ų10051 Ų5138%0.37727%0.268SS..Hα-helixtrans-65-46.3177.9-174.3-179.8175.8177.42.1111.9L737 L741 K756 R757 M758 A764L737-R760 HydrophobicContact CD2-CB 4.48Å; L737-R760 HydrophobicContact CD2-CG 3.76Å; L737-R760 WeakPolarHBondContact CD2-O 3.38Å; L737-R760 PolarHBondContact O-NE 3.45Å; L741-R760 HydrophobicContact CB-CB 3.91Å; L741-R760 HydrophobicContact CB-CG 4.38Å; K756-R760 WeakPolarHBondContact O-CB 3.45Å; K756-R760 PolarHBondContact O-N 3.46Å; R757-R760 PolarHBondContact O-N 2.97Å; M758-R760 VanDerWaalsContact C-N 3.33Å; M758-R760 PolarHBondContact O-N 3.36Å; R760-A764 WeakPolarHBondContact O-CB 3.48Å; R760-A764 PolarHBondContact O-N 3.37Å
761R94.6Very high92.4Very high123 Ų12348.2 Ų48.246%0.46425%0.252SS..Hα-helixtrans-62.4-50.2-179.1168.1173.534.673.4-6.8110.6E602 R757 M758 A764 S765E602-R761 IonicContact OE1-NH1 3.54Å; R757-R761 VanDerWaalsContact O-CB 3.25Å; R757-R761 WeakPolarHBondContact O-CB 3.42Å; R757-R761 PolarHBondContact O-N 3.34Å; M758-R761 PolarHBondContact O-N 2.91Å; R761-A764 PolarHBondContact O-N 2.82Å; R761-S765 PolarHBondContact O-N 3.05Å; R761-S765 PolarHBondContact O-OG 3.35Å
762N92.4Very high92.5Very high17 Ų1747.2 Ų47.29%0.09125%0.247CC..Hα-helixtrans-67.1-41.8-176.3-62.3-8.2000111.8C599 E602 M758 A764 S765 C766C599-N762 HydrophobicContact CB-CB 4.45Å; C599-N762 VanDerWaalsContact SG-CB 3.54Å; E602-N762 PolarHBondContact OE1-ND2 3.36Å; E602-N762 PolarHBondContact OE2-ND2 3.1Å; M758-N762 VanDerWaalsContact O-CG 3.23Å; M758-N762 PolarHBondContact O-N 3.36Å; M758-N762 PolarHBondContact O-ND2 2.92Å; M758-N762 PolarHBondContact O-OD1 3.44Å; N762-A764 VanDerWaalsContact C-N 3.33Å; N762-A764 PolarHBondContact O-N 2.9Å; N762-S765 WeakPolarHBondContact CA-OG 3.21Å; N762-S765 PolarHBondContact O-N 3.34Å; N762-S765 PolarHBondContact O-OG 3.02Å; N762-C766 PolarHBondContact O-N 3.25Å; N762-C766 PolarHBondContact O-SG 3.22Å
763L94.4Very high92.5Very high1 Ų148.8 Ų48.81%0.00526%0.255CS..Hα-helixtrans-68.2-35.3177.5-174.962.3000111.7A595 C599 L711 L733 L736 L737 L741 M759 Y767A595-L763 HydrophobicContact CB-CD1 4.38Å; C599-L763 PolarHBondContact SG-N 3.34Å; C599-L763 VanDerWaalsContact SG-N 3.42Å; L711-L763 HydrophobicContact CD2-CD2 4.21Å; L733-L763 HydrophobicContact CD2-CD1 4.01Å; L733-L763 HydrophobicContact CD2-CD2 4.05Å; L733-L763 HydrophobicContact CD2-CG 3.88Å; L736-L763 HydrophobicContact CB-CD2 4.28Å; L736-L763 HydrophobicContact CD1-CD2 3.91Å; L737-L763 HydrophobicContact CD2-CB 4.27Å; L737-L763 HydrophobicContact CD2-CD2 4.28Å; L737-L763 HydrophobicContact CD2-CG 4.38Å; L741-L763 HydrophobicContact CD1-CD2 4.13Å; M759-L763 WeakPolarHBondContact O-CB 3.21Å; M759-L763 PolarHBondContact O-N 3.09Å; L763-Y767 HydrophobicContact CD1-CE2 4.14Å; L763-Y767 WeakPolarHBondContact O-CD2 3.14Å
764A94.3Very high92.5Very high26 Ų2651.2 Ų51.222%0.21526%0.263CS..Hα-helixtrans-66.8-45.9174.800000111.3L737 R760 R761 N762 C766 Y767 D768L737-A764 HydrophobicContact CD1-CB 4.28Å; L737-A764 HydrophobicContact CD2-CB 4.26Å; R760-A764 WeakPolarHBondContact O-CB 3.48Å; R760-A764 PolarHBondContact O-N 3.37Å; R761-A764 PolarHBondContact O-N 2.82Å; N762-A764 VanDerWaalsContact C-N 3.33Å; N762-A764 PolarHBondContact O-N 2.9Å; A764-C766 VanDerWaalsContact C-N 3.25Å; A764-C766 PolarHBondContact O-N 3.38Å; A764-Y767 CarbonylContact O-C 3.37Å; A764-Y767 WeakPolarHBondContact O-CA 2.96Å; A764-Y767 PolarHBondContact O-N 3.22Å; A764-D768 VanDerWaalsContact O-CG 3.27Å; A764-D768 PolarHBondContact O-N 3.4Å; A764-D768 VanDerWaalsContact O-N 3.09Å
765S92.1Very high92.5Very high64 Ų6448.3 Ų48.345%0.44825%0.249SC..Hα-helixtrans-58.7-35.6-179.258.90000113.2R761 N762 Y767 D768R761-S765 PolarHBondContact O-N 3.05Å; R761-S765 PolarHBondContact O-OG 3.35Å; N762-S765 WeakPolarHBondContact CA-OG 3.21Å; N762-S765 PolarHBondContact O-N 3.34Å; N762-S765 PolarHBondContact O-OG 3.02Å; S765-Y767 PolarHBondContact O-N 3.13Å; S765-Y767 VanDerWaalsContact O-N 3.09Å; S765-D768 WeakPolarHBondContact CA-OD2 3.39Å; S765-D768 PolarHBondContact O-N 3.44Å
766C89.5Confident92.4Very high28 Ų2848.1 Ų48.119%0.18925%0.248CC..THydrogen-bonded Turntrans-60.7-17173-63.10000114P590 A595 N762 A764P590-C766 VanDerWaalsContact CG-O 3.29Å; P590-C766 WeakPolarHBondContact CG-O 3.29Å; A595-C766 HydrophobicContact CB-CB 4.05Å; N762-C766 PolarHBondContact O-N 3.25Å; N762-C766 PolarHBondContact O-SG 3.22Å; A764-C766 VanDerWaalsContact C-N 3.25Å; A764-C766 PolarHBondContact O-N 3.38Å
767Y91.3Very high92.4Very high18 Ų1847.2 Ų47.27%0.07125%0.245CC..THydrogen-bonded Turntrans-129.315.7-176.2-64.6-76.9000113P590 F592 A595 I729 L733 L763 A764 S765 S769 V772 L776P590-Y767 HydrophobicContact CB-CE1 4.31Å; P590-Y767 PolarHBondContact O-OH 3.1Å; F592-Y767 VanDerWaalsContact CA-OH 3.25Å; F592-Y767 WeakPolarHBondContact CA-OH 3.47Å; F592-Y767 HydrophobicContact CD2-CE2 4.47Å; A595-Y767 HydrophobicContact CB-CE2 4.12Å; I729-Y767 HydrophobicContact CG2-CE1 4.22Å; L733-Y767 HydrophobicContact CD1-CD1 4Å; L733-Y767 HydrophobicContact CD1-CD2 3.61Å; L733-Y767 HydrophobicContact CD1-CE1 4.37Å; L733-Y767 HydrophobicContact CD1-CE2 4.01Å; L733-Y767 HydrophobicContact CD1-CG 3.62Å; L733-Y767 HydrophobicContact CD2-CD2 3.76Å; L733-Y767 HydrophobicContact CD2-CE2 3.84Å; L733-Y767 HydrophobicContact CG-CD2 4.35Å; L733-Y767 HydrophobicContact CG-CE2 4.5Å; L763-Y767 HydrophobicContact CD1-CE2 4.14Å; L763-Y767 WeakPolarHBondContact O-CD2 3.14Å; A764-Y767 CarbonylContact O-C 3.37Å; A764-Y767 WeakPolarHBondContact O-CA 2.96Å; A764-Y767 PolarHBondContact O-N 3.22Å; S765-Y767 PolarHBondContact O-N 3.13Å; S765-Y767 VanDerWaalsContact O-N 3.09Å; Y767-S769 VanDerWaalsContact C-N 3.26Å; Y767-S769 PolarHBondContact O-N 3.26Å; Y767-V772 HydrophobicContact CD1-CG1 3.83Å; Y767-L776 HydrophobicContact CD1-CD1 3.76Å; Y767-L776 HydrophobicContact CE1-CD1 4.3Å; Y767-L776 HydrophobicContact CG-CD1 4.47Å
768D87.9Confident92.4Very high115 Ų11542.2 Ų42.262%0.61523%0.226SC*.  trans-72.9-17.5-176.1-83.1-14.3000113.1A764 S765 P770A764-D768 VanDerWaalsContact O-CG 3.27Å; A764-D768 PolarHBondContact O-N 3.4Å; A764-D768 VanDerWaalsContact O-N 3.09Å; S765-D768 WeakPolarHBondContact CA-OD2 3.39Å; S765-D768 PolarHBondContact O-N 3.44Å; D768-P770 WeakPolarHBondContact O-CD 3.29Å
769S89.5Confident92.4Very high55 Ų5541.3 Ų41.339%0.38522%0.222SC..  trans-59124.9177.8171.20000111.7Y767 A771 V772 N773Y767-S769 VanDerWaalsContact C-N 3.26Å; Y767-S769 PolarHBondContact O-N 3.26Å; S769-A771 PolarHBondContact O-N 2.97Å; S769-A771 PolarHBondContact OG-N 3.22Å; S769-V772 PolarHBondContact O-N 2.94Å; S769-N773 PolarHBondContact O-N 3.2Å
770P89.4Confident92.4Very high106 Ų10641.3 Ų41.369%0.68822%0.222SC*.Hα-helixtrans-59.1-32.7177.4-25.734.3000113.3D768 R774D768-P770 WeakPolarHBondContact O-CD 3.29Å; P770-R774 WeakPolarHBondContact O-CB 3.48Å; P770-R774 PolarHBondContact O-N 3.03Å
771A88.4Confident92.3Very high43 Ų4336.6 Ų36.636%0.35520%0.204SC..Hα-helixtrans-70.8-43.6178.600000111.1P587 S769 R774 V775P587-A771 HydrophobicContact CB-CB 3.82Å; S769-A771 PolarHBondContact O-N 2.97Å; S769-A771 PolarHBondContact OG-N 3.22Å; A771-R774 WeakPolarHBondContact O-CB 3.4Å; A771-R774 PolarHBondContact O-N 3.41Å; A771-V775 WeakPolarHBondContact O-CG2 3.43Å; A771-V775 PolarHBondContact O-N 3.27Å
772V90.6Very high92.3Very high5 Ų530.7 Ų30.73%0.0318%0.181CC..Hα-helixtrans-61.8-47.9173.6175.70000110.4S588 V589 Y767 S769 R774 V775 L776S588-V772 WeakPolarHBondContact O-CG2 3.49Å; V589-V772 HydrophobicContact CG1-CG1 4.42Å; V589-V772 HydrophobicContact CG2-CG1 4.44Å; Y767-V772 HydrophobicContact CD1-CG1 3.83Å; S769-V772 PolarHBondContact O-N 2.94Å; V772-R774 VanDerWaalsContact C-N 3.28Å; V772-R774 PolarHBondContact O-N 2.89Å; V772-V775 PolarHBondContact O-N 2.96Å; V772-V775 VanDerWaalsContact O-N 3.13Å; V772-L776 HydrophobicContact CG1-CD1 4.09Å; V772-L776 HydrophobicContact CG1-CG 4.22Å; V772-L776 VanDerWaalsContact O-CG 3.32Å; V772-L776 WeakPolarHBondContact O-CG 3.21Å; V772-L776 PolarHBondContact O-N 3.35Å
773N92.1Very high92.3Very high41 Ų4129.9 Ų29.922%0.21918%0.177CC..Hα-helixtrans-58.8-40177.6179.463.2000112.1K730 S769 L776 C777K730-N773 PolarHBondContact NZ-OD1 3.19Å; S769-N773 PolarHBondContact O-N 3.2Å; N773-L776 PolarHBondContact O-N 3.42Å; N773-C777 WeakPolarHBondContact O-CB 3.41Å; N773-C777 PolarHBondContact O-N 3.12Å; N773-C777 PolarHBondContact O-SG 3.08Å
774R92.6Very high92Very high115 Ų11529.9 Ų29.943%0.43418%0.177SC..Hα-helixtrans-58.6-50.3174.1-178.8-177-64.4178.82.6111.2P770 A771 V772 L776 C777 V778 W803P770-R774 WeakPolarHBondContact O-CB 3.48Å; P770-R774 PolarHBondContact O-N 3.03Å; A771-R774 WeakPolarHBondContact O-CB 3.4Å; A771-R774 PolarHBondContact O-N 3.41Å; V772-R774 VanDerWaalsContact C-N 3.28Å; V772-R774 PolarHBondContact O-N 2.89Å; R774-L776 VanDerWaalsContact C-N 3.34Å; R774-L776 PolarHBondContact O-N 3.09Å; R774-C777 PolarHBondContact O-N 2.64Å; R774-V778 HydrophobicContact CG-CG2 4.41Å; R774-V778 WeakPolarHBondContact O-CG2 3.14Å; R774-V778 PolarHBondContact O-N 2.96Å; R774-W803 HydrophobicContact CB-CD2 4.36Å; R774-W803 HydrophobicContact CB-CE3 4.3Å; R774-W803 HydrophobicContact CG-CB 3.91Å; R774-W803 HydrophobicContact CG-CD2 3.79Å; R774-W803 HydrophobicContact CG-CE3 4.02Å; R774-W803 HydrophobicContact CG-CG 3.74Å
775V93Very high91.8Very high6 Ų630.6 Ų30.64%0.03618%0.176CC..Hα-helixtrans-57.7-47.5178.9169.90000111.3L558 P587 V589 L726 A771 V772 C777 V778 A779 Y902L558-V775 HydrophobicContact CD1-CG1 3.81Å; L558-V775 HydrophobicContact CD1-CG2 4.01Å; L558-V775 HydrophobicContact CD2-CG1 4.09Å; P587-V775 HydrophobicContact CB-CG2 4.47Å; P587-V775 HydrophobicContact CG-CG2 3.55Å; V589-V775 HydrophobicContact CG2-CB 4.46Å; V589-V775 HydrophobicContact CG2-CG1 4.07Å; L726-V775 HydrophobicContact CD2-CG1 3.66Å; A771-V775 WeakPolarHBondContact O-CG2 3.43Å; A771-V775 PolarHBondContact O-N 3.27Å; V772-V775 PolarHBondContact O-N 2.96Å; V772-V775 VanDerWaalsContact O-N 3.13Å; V775-C777 VanDerWaalsContact C-N 3.31Å; V775-C777 PolarHBondContact O-N 3.27Å; V775-V778 PolarHBondContact O-N 2.64Å; V775-A779 WeakPolarHBondContact O-CB 3.33Å; V775-A779 PolarHBondContact O-N 3.19Å; V775-Y902 HydrophobicContact CB-CE1 4.23Å; V775-Y902 HydrophobicContact CG1-CD1 4.1Å; V775-Y902 HydrophobicContact CG1-CE1 3.85Å; V775-Y902 HydrophobicContact CG2-CE1 4.26Å
776L94.5Very high91.6Very high2 Ų229.1 Ų29.11%0.0116%0.162CC..Hα-helixtrans-62.2-38.4179.5-66.4-176.7000112.4L726 I729 K730 L733 Y767 V772 N773 R774 C780L726-L776 HydrophobicContact CD1-CD2 3.52Å; L726-L776 HydrophobicContact CD2-CD2 4.37Å; L726-L776 HydrophobicContact CG-CD2 3.85Å; I729-L776 HydrophobicContact CB-CD2 3.95Å; I729-L776 HydrophobicContact CG2-CD1 3.98Å; I729-L776 HydrophobicContact CG2-CD2 3.84Å; K730-L776 HydrophobicContact CB-CB 4.15Å; L733-L776 HydrophobicContact CD1-CD1 4Å; Y767-L776 HydrophobicContact CD1-CD1 3.76Å; Y767-L776 HydrophobicContact CE1-CD1 4.3Å; Y767-L776 HydrophobicContact CG-CD1 4.47Å; V772-L776 HydrophobicContact CG1-CD1 4.09Å; V772-L776 HydrophobicContact CG1-CG 4.22Å; V772-L776 VanDerWaalsContact O-CG 3.32Å; V772-L776 WeakPolarHBondContact O-CG 3.21Å; V772-L776 PolarHBondContact O-N 3.35Å; N773-L776 PolarHBondContact O-N 3.42Å; R774-L776 VanDerWaalsContact C-N 3.34Å; R774-L776 PolarHBondContact O-N 3.09Å; L776-C780 WeakPolarHBondContact O-CB 3.17Å; L776-C780 PolarHBondContact O-N 2.93Å
777C94.8Very high91.3Very high1 Ų128.5 Ų28.51%0.00716%0.156CC..Hα-helixtrans-69.2-45.3177.3-66.80000111.5N773 R774 V775 C780 S781 T800 W803N773-C777 WeakPolarHBondContact O-CB 3.41Å; N773-C777 PolarHBondContact O-N 3.12Å; N773-C777 PolarHBondContact O-SG 3.08Å; R774-C777 PolarHBondContact O-N 2.64Å; V775-C777 VanDerWaalsContact C-N 3.31Å; V775-C777 PolarHBondContact O-N 3.27Å; C777-C780 PolarHBondContact O-N 2.83Å; C777-S781 WeakPolarHBondContact O-CB 3.42Å; C777-S781 PolarHBondContact O-N 2.88Å; C777-S781 PolarHBondContact O-OG 2.7Å; C777-T800 HydrophobicContact CB-CG2 3.73Å; C777-T800 WeakPolarHBondContact CB-OG1 3.24Å; C777-T800 VanDerWaalsContact O-CG2 3.29Å; C777-T800 WeakPolarHBondContact O-CG2 3.47Å; C777-W803 HydrophobicContact CB-CE3 4.02Å; C777-W803 HydrophobicContact CB-CZ3 3.94Å
778V94.4Very high90.9Very high2 Ų230.2 Ų30.21%0.01218%0.179CC..Hα-helixtrans-61.3-50.91771730000110.5R774 V775 C780 S781 L782 W803 L804 V898 Y902R774-V778 HydrophobicContact CG-CG2 4.41Å; R774-V778 WeakPolarHBondContact O-CG2 3.14Å; R774-V778 PolarHBondContact O-N 2.96Å; V775-V778 PolarHBondContact O-N 2.64Å; V778-C780 VanDerWaalsContact C-N 3.29Å; V778-C780 PolarHBondContact O-N 2.92Å; V778-S781 PolarHBondContact O-N 3.21Å; V778-S781 VanDerWaalsContact O-N 3.17Å; V778-S781 PolarHBondContact O-OG 3.45Å; V778-L782 HydrophobicContact CG1-CD1 4.02Å; V778-L782 PolarHBondContact O-N 3.34Å; V778-W803 HydrophobicContact CG2-CB 3.84Å; V778-L804 HydrophobicContact CG1-CD1 4.11Å; V778-V898 HydrophobicContact CG1-CG1 4.21Å; V778-Y902 HydrophobicContact CB-CD1 4.21Å; V778-Y902 HydrophobicContact CB-CE1 3.94Å; V778-Y902 HydrophobicContact CG1-CD1 3.92Å; V778-Y902 HydrophobicContact CG1-CD2 4.05Å; V778-Y902 HydrophobicContact CG1-CE1 3.8Å; V778-Y902 HydrophobicContact CG1-CE2 3.97Å; V778-Y902 HydrophobicContact CG1-CG 4.04Å
779A94.4Very high91Very high0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-55.8-43.217700000112.3L726 S727 V775 Y902 M903L726-A779 HydrophobicContact CB-CB 4.46Å; L726-A779 HydrophobicContact CD2-CB 4.4Å; L726-A779 HydrophobicContact CG-CB 4.34Å; S727-A779 WeakPolarHBondContact CB-O 3.24Å; V775-A779 WeakPolarHBondContact O-CB 3.33Å; V775-A779 PolarHBondContact O-N 3.19Å; A779-Y902 HydrophobicContact CB-CD1 4.08Å; A779-M903 VanDerWaalsContact O-CE 3.23Å; A779-M903 WeakPolarHBondContact O-CE 3.41Å
780C94.7Very high90.8Very high0 Ų025.7 Ų25.70%017%0.168CC..Hα-helixtrans-66.7-41.6178.4-176.80000112.6K730 L776 C777 V778 L782 D783 F791K730-C780 HydrophobicContact CB-CB 4.13Å; L776-C780 WeakPolarHBondContact O-CB 3.17Å; L776-C780 PolarHBondContact O-N 2.93Å; C777-C780 PolarHBondContact O-N 2.83Å; V778-C780 VanDerWaalsContact C-N 3.29Å; V778-C780 PolarHBondContact O-N 2.92Å; C780-L782 PolarHBondContact O-N 3.09Å; C780-D783 WeakPolarHBondContact O-CB 3.28Å; C780-D783 PolarHBondContact O-N 3.19Å; C780-F791 VanDerWaalsContact SG-CZ 3.53Å
781S94Very high90.8Very high0 Ų023.3 Ų23.30%015%0.147CC..Hα-helixtrans-65.8-24.4-179.668.80000114.2C777 V778 D783C777-S781 WeakPolarHBondContact O-CB 3.42Å; C777-S781 PolarHBondContact O-N 2.88Å; C777-S781 PolarHBondContact O-OG 2.7Å; V778-S781 PolarHBondContact O-N 3.21Å; V778-S781 VanDerWaalsContact O-N 3.17Å; V778-S781 PolarHBondContact O-OG 3.45Å; S781-D783 VanDerWaalsContact C-N 3.32Å
782L93.7Very high91Very high0 Ų021.9 Ų21.90%013%0.133CC..THydrogen-bonded Turntrans-82.6-11.1175.1-70.8162.8000112.4V778 C780 P784 L804 W885 V898 A899 Y902 M903V778-L782 HydrophobicContact CG1-CD1 4.02Å; V778-L782 PolarHBondContact O-N 3.34Å; C780-L782 PolarHBondContact O-N 3.09Å; L782-P784 WeakPolarHBondContact O-CD 3.39Å; L782-L804 HydrophobicContact CD1-CD1 4.03Å; L782-L804 HydrophobicContact CD2-CD1 3.74Å; L782-L804 HydrophobicContact CD2-CD2 4.25Å; L782-L804 HydrophobicContact CG-CD1 3.9Å; L782-W885 HydrophobicContact CB-CZ2 4.26Å; L782-W885 HydrophobicContact CD2-CH2 3.98Å; L782-W885 HydrophobicContact CD2-CZ2 3.59Å; L782-W885 PolarHBondContact O-NE1 3.46Å; L782-V898 HydrophobicContact CD1-CB 4.17Å; L782-V898 HydrophobicContact CD1-CG1 3.72Å; L782-A899 HydrophobicContact CD2-CB 4.38Å; L782-Y902 HydrophobicContact CD1-CD2 4.48Å; L782-Y902 HydrophobicContact CD1-CG 4.43Å; L782-M903 HydrophobicContact CB-CE 3.45Å; L782-M903 VanDerWaalsContact CB-CE 3.45Å; L782-M903 WeakPolarHBondContact O-CE 3.32Å
783D92.6Very high90.9Very high0 Ų028.5 Ų28.50%016%0.163CC..SBendtrans-81.2117.6176.6-164.7-40.3000108.9R725 S727 C780 S781 Q785 F786 H787 P881 M903R725-D783 IonicContact CZ-OD2 3.82Å; R725-D783 IonicContact NH1-OD2 2.76Å; R725-D783 PolarHBondContact NH1-OD2 3.36Å; R725-D783 IonicContact NH2-OD2 2.64Å; S727-D783 WeakPolarHBondContact CB-OD2 3.32Å; S727-D783 PolarHBondContact OG-OD2 3.49Å; C780-D783 WeakPolarHBondContact O-CB 3.28Å; C780-D783 PolarHBondContact O-N 3.19Å; S781-D783 VanDerWaalsContact C-N 3.32Å; D783-Q785 PolarHBondContact O-N 3.34Å; D783-Q785 VanDerWaalsContact OD1-CB 3.3Å; D783-Q785 WeakPolarHBondContact OD1-CB 3.24Å; D783-Q785 WeakPolarHBondContact OD1-CG 3.5Å; D783-Q785 PolarHBondContact OD1-N 2.92Å; D783-Q785 VanDerWaalsContact OD1-N 3.08Å; D783-Q785 PolarHBondContact OD1-NE2 3.41Å; D783-F786 HydrophobicContact CB-CD2 3.67Å; D783-F786 HydrophobicContact CB-CE2 4.29Å; D783-F786 CarbonylContact O-C 3.57Å; D783-F786 PolarHBondContact O-N 2.96Å; D783-H787 PolarHBondContact O-N 3.28Å; D783-P881 VanDerWaalsContact OD1-CG 3.27Å; D783-P881 WeakPolarHBondContact OD1-CG 3.48Å; D783-M903 HydrophobicContact CB-CE 4.03Å; D783-M903 VanDerWaalsContact N-CE 3.32Å
784P89.4Confident90.9Very high1 Ų134.1 Ų34.11%0.00619%0.188CC..G310 helixtrans-62.7-19.6-176.329.3-37.2000112.4L782 F786 G874 A875 P881 W884L782-P784 WeakPolarHBondContact O-CD 3.39Å; P784-F786 VanDerWaalsContact C-N 3.3Å; P784-G874 CarbonylContact O-C 3.55Å; P784-G874 WeakPolarHBondContact O-CA 3.13Å; P784-A875 HydrophobicContact CB-CB 3.77Å; P784-A875 HydrophobicContact CG-CB 4.15Å; P784-A875 PolarHBondContact O-N 3.15Å; P784-P881 HydrophobicContact CG-CB 4.13Å; P784-P881 HydrophobicContact CG-CG 4.21Å; P784-W884 HydrophobicContact CB-CB 4.49Å; P784-W884 HydrophobicContact CB-CD2 3.65Å; P784-W884 HydrophobicContact CB-CE3 4.1Å; P784-W884 HydrophobicContact CB-CG 3.82Å; P784-W884 HydrophobicContact CB-CZ2 4.37Å; P784-W884 HydrophobicContact CG-CB 3.86Å; P784-W884 HydrophobicContact CG-CD2 3.9Å; P784-W884 HydrophobicContact CG-CE3 4.24Å; P784-W884 HydrophobicContact CG-CG 3.73Å
785Q88.8Confident90.9Very high40 Ų4037 Ų3719%0.18720%0.204CC..G310 helixtrans-72.5-23.9174.5-63176.592.200113D783 L877 G878D783-Q785 PolarHBondContact O-N 3.34Å; D783-Q785 VanDerWaalsContact OD1-CB 3.3Å; D783-Q785 WeakPolarHBondContact OD1-CB 3.24Å; D783-Q785 WeakPolarHBondContact OD1-CG 3.5Å; D783-Q785 PolarHBondContact OD1-N 2.92Å; D783-Q785 VanDerWaalsContact OD1-N 3.08Å; D783-Q785 PolarHBondContact OD1-NE2 3.41Å; Q785-L877 HydrophobicContact CB-CD2 4.27Å; Q785-G878 VanDerWaalsContact OE1-N 3.1Å
786F88.6Confident90.9Very high34 Ų3440.2 Ų40.215%0.14922%0.219CC..G310 helixtrans-114.215.4-179.8-50.7-53000112.6L728 P731 D783 P784 G788 L789 F791 L877L728-F786 HydrophobicContact CD2-CE2 3.82Å; L728-F786 HydrophobicContact CD2-CZ 3.77Å; P731-F786 HydrophobicContact CB-CE1 4.2Å; P731-F786 HydrophobicContact CB-CZ 4.29Å; P731-F786 HydrophobicContact CG-CD1 4Å; P731-F786 HydrophobicContact CG-CD2 3.81Å; P731-F786 HydrophobicContact CG-CE1 3.92Å; P731-F786 HydrophobicContact CG-CE2 3.76Å; P731-F786 HydrophobicContact CG-CG 3.97Å; P731-F786 HydrophobicContact CG-CZ 3.81Å; D783-F786 HydrophobicContact CB-CD2 3.67Å; D783-F786 HydrophobicContact CB-CE2 4.29Å; D783-F786 CarbonylContact O-C 3.57Å; D783-F786 PolarHBondContact O-N 2.96Å; P784-F786 VanDerWaalsContact C-N 3.3Å; F786-G788 PolarHBondContact O-N 3.21Å; F786-L789 WeakPolarHBondContact O-CA 3.25Å; F786-L789 WeakPolarHBondContact O-CD2 3.39Å; F786-L789 PolarHBondContact O-N 2.94Å; F786-F791 HydrophobicContact CB-CE1 4.23Å; F786-F791 HydrophobicContact CG-CE1 4.47Å; F786-L877 HydrophobicContact CE1-CD2 4.5Å
787H82.9Confident90.8Very high15 Ų1542.4 Ų42.47%0.06923%0.229CC..THydrogen-bonded Turntrans-42.2-45.6-175.1-172.865.5000115.1D783 F869 D872D783-H787 PolarHBondContact O-N 3.28Å; H787-F869 AromaticContact CE1-CD1 3.67Å; H787-F869 AromaticContact CE1-CE1 3.53Å; H787-F869 AromaticContact CE1-CE2 3.88Å; H787-F869 AromaticContact CE1-CG 3.91Å; H787-F869 AromaticContact CE1-CZ 3.63Å; H787-F869 PolarHBondContact CE1-O 2.84Å; H787-F869 AromaticContact ND1-CE1 3.6Å; H787-F869 AromaticContact ND1-CE2 3.92Å; H787-F869 AromaticContact ND1-CZ 3.42Å; H787-F869 WeakPolarHBondContact ND1-CZ 3.36Å; H787-F869 PolarHBondContact NE2-O 3.43Å; H787-D872 PolarHBondContact CD2-O 2.68Å; H787-D872 PolarHBondContact NE2-O 3.04Å
788G82.3Confident90.8Very high53 Ų5346 Ų4655%0.54625%0.25SS..THydrogen-bonded Turntrans-84.8-1.7-178.700000115.4F786 G790F786-G788 PolarHBondContact O-N 3.21Å; G788-G790 PolarHBondContact O-N 3.47Å
789L89.5Confident90.8Very high1 Ų147.2 Ų47.21%0.00526%0.261CS..  trans47.228.9-179.8-60.2176.8000114.8F786 F791 M792 Q797 T800 F801F786-L789 WeakPolarHBondContact O-CA 3.25Å; F786-L789 WeakPolarHBondContact O-CD2 3.39Å; F786-L789 PolarHBondContact O-N 2.94Å; L789-F791 HydrophobicContact CD2-CE1 4.24Å; L789-F791 HydrophobicContact CD2-CZ 4.42Å; L789-F791 PolarHBondContact O-N 3.47Å; L789-M792 HydrophobicContact CB-SD 4.21Å; L789-M792 HydrophobicContact CD1-SD 4.37Å; L789-M792 HydrophobicContact CD2-SD 3.98Å; L789-M792 HydrophobicContact CG-SD 4.43Å; L789-M792 WeakPolarHBondContact O-CB 3.47Å; L789-M792 PolarHBondContact O-N 2.94Å; L789-Q797 HydrophobicContact CB-CG 3.81Å; L789-Q797 PolarHBondContact O-NE2 2.75Å; L789-T800 HydrophobicContact CD1-CG2 3.59Å; L789-F801 HydrophobicContact CD1-CD2 4.34Å; L789-F801 HydrophobicContact CD1-CE1 4.38Å; L789-F801 HydrophobicContact CD1-CE2 3.84Å; L789-F801 HydrophobicContact CD1-CZ 3.87Å; L789-F801 HydrophobicContact CG-CZ 4.28Å
790G87.4Confident90.8Very high74 Ų7447.2 Ų47.276%0.76326%0.261SS*.THydrogen-bonded Turntrans-67-2.5-169.300000115.9G788G788-G790 PolarHBondContact O-N 3.47Å
791F88.3Confident90.8Very high57 Ų5748 Ų4825%0.2526%0.264CS..THydrogen-bonded Turntrans-90.8-8.717267.7-88.3000112.9K730 P731 T734 C780 F786 L789K730-F791 HydrophobicContact CG-CE2 4.02Å; K730-F791 HydrophobicContact CG-CZ 4.22Å; P731-F791 HydrophobicContact CB-CE1 4.3Å; P731-F791 HydrophobicContact CB-CE2 4.3Å; P731-F791 HydrophobicContact CB-CZ 4.18Å; P731-F791 HydrophobicContact CG-CE1 3.85Å; P731-F791 HydrophobicContact CG-CE2 4.22Å; P731-F791 HydrophobicContact CG-CZ 3.67Å; T734-F791 HydrophobicContact CG2-CD2 3.99Å; C780-F791 VanDerWaalsContact SG-CZ 3.53Å; F786-F791 HydrophobicContact CB-CE1 4.23Å; F786-F791 HydrophobicContact CG-CE1 4.47Å; L789-F791 HydrophobicContact CD2-CE1 4.24Å; L789-F791 HydrophobicContact CD2-CZ 4.42Å; L789-F791 PolarHBondContact O-N 3.47Å
792M91.8Very high90.8Very high12 Ų1251.6 Ų51.66%0.05928%0.284CS..SBendtrans-102.2157.6179.4-57.8178.762.200111.1K730 L789 E796 Q797 T800K730-M792 HydrophobicContact CG-SD 4.44Å; L789-M792 HydrophobicContact CB-SD 4.21Å; L789-M792 HydrophobicContact CD1-SD 4.37Å; L789-M792 HydrophobicContact CD2-SD 3.98Å; L789-M792 HydrophobicContact CG-SD 4.43Å; L789-M792 WeakPolarHBondContact O-CB 3.47Å; L789-M792 PolarHBondContact O-N 2.94Å; M792-E796 HydrophobicContact CB-CB 4.32Å; M792-E796 HydrophobicContact CE-CB 3.65Å; M792-Q797 HydrophobicContact CB-CG 3.96Å; M792-Q797 PolarHBondContact O-NE2 2.96Å; M792-T800 WeakPolarHBondContact CE-OG1 3.42Å
793E90.3Very high90.9Very high145 Ų14554.2 Ų54.268%0.67829%0.293SS*.  trans-71.3150.5172.4-64.8-173.117200111.4K795 E796 Q797E793-K795 PolarHBondContact O-N 3.48Å; E793-K795 VanDerWaalsContact O-N 3.15Å; E793-E796 HydrophobicContact CB-CG 4.41Å; E793-E796 WeakPolarHBondContact O-CA 3.25Å; E793-E796 WeakPolarHBondContact O-CB 3.48Å; E793-E796 PolarHBondContact O-N 3.37Å; E793-Q797 WeakPolarHBondContact O-CG 3.36Å; E793-Q797 PolarHBondContact O-N 3.34Å
794E91.3Very high91Very high158 Ų15854.2 Ų54.274%0.73829%0.293SS*.Hα-helixtrans-53.8-39.9-176.7-172.2177.3-174.700112.9E796 Q797 V798E794-E796 VanDerWaalsContact C-N 3.33Å; E794-E796 PolarHBondContact O-N 3.1Å; E794-Q797 PolarHBondContact O-N 3.1Å; E794-V798 WeakPolarHBondContact O-CG2 3.31Å; E794-V798 PolarHBondContact O-N 3.23Å
795K92.5Very high91.2Very high177 Ų17756.9 Ų56.977%0.7731%0.305SS*.Hα-helixtrans-60-41.6175.3-175.9-177.8176.6-173.80112.3E793 A799E793-K795 PolarHBondContact O-N 3.48Å; E793-K795 VanDerWaalsContact O-N 3.15Å; K795-A799 PolarHBondContact O-N 3.13Å
796E92.1Very high91.4Very high73 Ų7360.2 Ų60.234%0.34132%0.321SS..Hα-helixtrans-73.1-35.8178.4-60.6-170.4128.300112M792 E793 E794 A799 T800M792-E796 HydrophobicContact CB-CB 4.32Å; M792-E796 HydrophobicContact CE-CB 3.65Å; E793-E796 HydrophobicContact CB-CG 4.41Å; E793-E796 WeakPolarHBondContact O-CA 3.25Å; E793-E796 WeakPolarHBondContact O-CB 3.48Å; E793-E796 PolarHBondContact O-N 3.37Å; E794-E796 VanDerWaalsContact C-N 3.33Å; E794-E796 PolarHBondContact O-N 3.1Å; E796-A799 PolarHBondContact O-N 2.92Å; E796-T800 WeakPolarHBondContact O-CB 3.47Å; E796-T800 PolarHBondContact O-N 2.89Å; E796-T800 PolarHBondContact O-OG1 3.28Å
797Q93.8Very high91.5Very high47 Ų4760 Ų6022%0.2232%0.32CS..Hα-helixtrans-60.5-48.5174.9-63177.419.800111L789 M792 E793 E794 A799 T800 F801L789-Q797 HydrophobicContact CB-CG 3.81Å; L789-Q797 PolarHBondContact O-NE2 2.75Å; M792-Q797 HydrophobicContact CB-CG 3.96Å; M792-Q797 PolarHBondContact O-NE2 2.96Å; E793-Q797 WeakPolarHBondContact O-CG 3.36Å; E793-Q797 PolarHBondContact O-N 3.34Å; E794-Q797 PolarHBondContact O-N 3.1Å; Q797-A799 VanDerWaalsContact C-N 3.34Å; Q797-A799 PolarHBondContact O-N 3.36Å; Q797-T800 WeakPolarHBondContact O-CB 3.47Å; Q797-T800 PolarHBondContact O-N 2.91Å; Q797-F801 WeakPolarHBondContact O-CD2 3.41Å; Q797-F801 PolarHBondContact O-N 3.32Å; Q797-F801 VanDerWaalsContact O-N 3.07Å
798V93.3Very high92Very high76 Ų7659.2 Ų59.246%0.46132%0.316SS..Hα-helixtrans-60.7-44.5177.61740000110.9E794 T800 N802E794-V798 WeakPolarHBondContact O-CG2 3.31Å; E794-V798 PolarHBondContact O-N 3.23Å; V798-T800 VanDerWaalsContact C-N 3.33Å; V798-T800 PolarHBondContact O-N 2.68Å; V798-N802 VanDerWaalsContact O-CG 3.22Å; V798-N802 PolarHBondContact O-N 3.04Å; V798-N802 VanDerWaalsContact O-N 3.12Å; V798-N802 PolarHBondContact O-ND2 2.71Å
799A94.9Very high92.5Very high28 Ų2857.5 Ų57.523%0.23130%0.295CS..Hα-helixtrans-61.3-41.8176.400000112K795 E796 Q797 N802 W803K795-A799 PolarHBondContact O-N 3.13Å; E796-A799 PolarHBondContact O-N 2.92Å; Q797-A799 VanDerWaalsContact C-N 3.34Å; Q797-A799 PolarHBondContact O-N 3.36Å; A799-N802 WeakPolarHBondContact O-CB 3.46Å; A799-N802 PolarHBondContact O-N 3.11Å; A799-W803 HydrophobicContact CB-CH2 4.03Å; A799-W803 HydrophobicContact CB-CZ2 4.01Å; A799-W803 HydrophobicContact CB-CZ3 4.39Å; A799-W803 VanDerWaalsContact O-CD2 3.25Å; A799-W803 VanDerWaalsContact O-CG 3.3Å; A799-W803 PolarHBondContact O-N 3.1Å
800T95.2Very high92.6Very high0 Ų061.6 Ų61.60%031%0.31CS..Hα-helixtrans-60.2-50.2179.9-62.80000111.7C777 L789 M792 E796 Q797 V798 N802 W803 L804C777-T800 HydrophobicContact CB-CG2 3.73Å; C777-T800 WeakPolarHBondContact CB-OG1 3.24Å; C777-T800 VanDerWaalsContact O-CG2 3.29Å; C777-T800 WeakPolarHBondContact O-CG2 3.47Å; L789-T800 HydrophobicContact CD1-CG2 3.59Å; M792-T800 WeakPolarHBondContact CE-OG1 3.42Å; E796-T800 WeakPolarHBondContact O-CB 3.47Å; E796-T800 PolarHBondContact O-N 2.89Å; E796-T800 PolarHBondContact O-OG1 3.28Å; Q797-T800 WeakPolarHBondContact O-CB 3.47Å; Q797-T800 PolarHBondContact O-N 2.91Å; V798-T800 VanDerWaalsContact C-N 3.33Å; V798-T800 PolarHBondContact O-N 2.68Å; T800-N802 VanDerWaalsContact C-N 3.28Å; T800-N802 PolarHBondContact O-N 3.28Å; T800-W803 PolarHBondContact O-N 3.1Å; T800-L804 PolarHBondContact O-N 2.78Å
801F94.7Very high92.6Very high18 Ų1858 Ų588%0.07927%0.274CS..Hα-helixtrans-70.5-25.8179.5-66.8-67.3000113.3L789 Q797 L804 K805 M866 R870L789-F801 HydrophobicContact CD1-CD2 4.34Å; L789-F801 HydrophobicContact CD1-CE1 4.38Å; L789-F801 HydrophobicContact CD1-CE2 3.84Å; L789-F801 HydrophobicContact CD1-CZ 3.87Å; L789-F801 HydrophobicContact CG-CZ 4.28Å; Q797-F801 WeakPolarHBondContact O-CD2 3.41Å; Q797-F801 PolarHBondContact O-N 3.32Å; Q797-F801 VanDerWaalsContact O-N 3.07Å; F801-L804 HydrophobicContact CD1-CD2 4.41Å; F801-K805 WeakPolarHBondContact O-CB 3.22Å; F801-K805 PolarHBondContact O-N 2.96Å; F801-M866 HydrophobicContact CB-CE 3.93Å; F801-M866 HydrophobicContact CD1-CE 4Å; F801-M866 HydrophobicContact CG-CE 4.42Å; F801-M866 WeakPolarHBondContact O-CE 3.29Å; F801-R870 HydrophobicContact CD1-CG 4.37Å; F801-R870 HydrophobicContact CE1-CG 4.16Å; F801-R870 HydrophobicContact CZ-CG 4.37Å
802N93.8Very high92.6Very high75 Ų7555.9 Ų55.940%0.40127%0.267SS..Hα-helixtrans-68-40171.3-71.7-19.2000111.4V798 A799 T800 K805 Q806V798-N802 VanDerWaalsContact O-CG 3.22Å; V798-N802 PolarHBondContact O-N 3.04Å; V798-N802 VanDerWaalsContact O-N 3.12Å; V798-N802 PolarHBondContact O-ND2 2.71Å; A799-N802 WeakPolarHBondContact O-CB 3.46Å; A799-N802 PolarHBondContact O-N 3.11Å; T800-N802 VanDerWaalsContact C-N 3.28Å; T800-N802 PolarHBondContact O-N 3.28Å; N802-K805 PolarHBondContact O-N 3.29Å; N802-Q806 VanDerWaalsContact O-CG 3.32Å; N802-Q806 WeakPolarHBondContact O-CG 3.41Å; N802-Q806 PolarHBondContact O-N 3.42Å
803W95.1Very high92.3Very high55 Ų5559.5 Ų59.521%0.20828%0.282CS..Hα-helixtrans-65.3-41.9173.2-61.4-35.8000111.9R774 C777 V778 A799 T800 K805 Q806 E807R774-W803 HydrophobicContact CB-CD2 4.36Å; R774-W803 HydrophobicContact CB-CE3 4.3Å; R774-W803 HydrophobicContact CG-CB 3.91Å; R774-W803 HydrophobicContact CG-CD2 3.79Å; R774-W803 HydrophobicContact CG-CE3 4.02Å; R774-W803 HydrophobicContact CG-CG 3.74Å; C777-W803 HydrophobicContact CB-CE3 4.02Å; C777-W803 HydrophobicContact CB-CZ3 3.94Å; V778-W803 HydrophobicContact CG2-CB 3.84Å; A799-W803 HydrophobicContact CB-CH2 4.03Å; A799-W803 HydrophobicContact CB-CZ2 4.01Å; A799-W803 HydrophobicContact CB-CZ3 4.39Å; A799-W803 VanDerWaalsContact O-CD2 3.25Å; A799-W803 VanDerWaalsContact O-CG 3.3Å; A799-W803 PolarHBondContact O-N 3.1Å; T800-W803 PolarHBondContact O-N 3.1Å; W803-K805 VanDerWaalsContact C-N 3.31Å; W803-K805 PolarHBondContact O-N 3.37Å; W803-Q806 PolarHBondContact O-N 3.41Å; W803-E807 WeakPolarHBondContact O-CB 3.48Å; W803-E807 PolarHBondContact O-N 3.32Å
804L95.1Very high91.9Very high0 Ų056.7 Ų56.70%027%0.269CS..Hα-helixtrans-58.2-44.8174.6174.658000111.4V778 L782 T800 F801 E807 A808 M866 F869 L895 V898V778-L804 HydrophobicContact CG1-CD1 4.11Å; L782-L804 HydrophobicContact CD1-CD1 4.03Å; L782-L804 HydrophobicContact CD2-CD1 3.74Å; L782-L804 HydrophobicContact CD2-CD2 4.25Å; L782-L804 HydrophobicContact CG-CD1 3.9Å; T800-L804 PolarHBondContact O-N 2.78Å; F801-L804 HydrophobicContact CD1-CD2 4.41Å; L804-E807 PolarHBondContact O-N 3.22Å; L804-A808 WeakPolarHBondContact O-CB 3.48Å; L804-A808 PolarHBondContact O-N 3.24Å; L804-M866 HydrophobicContact CB-CE 4.31Å; L804-M866 HydrophobicContact CD2-CE 3.91Å; L804-M866 HydrophobicContact CD2-SD 3.68Å; L804-M866 HydrophobicContact CG-CE 4.11Å; L804-M866 HydrophobicContact CG-SD 3.88Å; L804-F869 HydrophobicContact CD2-CE1 4.46Å; L804-L895 HydrophobicContact CD1-CD2 4.09Å; L804-L895 HydrophobicContact CD2-CD2 4.23Å; L804-L895 HydrophobicContact CG-CD2 4.07Å; L804-V898 HydrophobicContact CD1-CB 4.39Å; L804-V898 HydrophobicContact CD1-CG1 4Å
805K94.2Very high91.1Very high57 Ų5752.2 Ų52.225%0.24825%0.25CS..Hα-helixtrans-59.3-48.6175.3175.7-179.1176.3174.20111.9F801 N802 W803 E807 A808 V809 V862 D863F801-K805 WeakPolarHBondContact O-CB 3.22Å; F801-K805 PolarHBondContact O-N 2.96Å; N802-K805 PolarHBondContact O-N 3.29Å; W803-K805 VanDerWaalsContact C-N 3.31Å; W803-K805 PolarHBondContact O-N 3.37Å; K805-E807 PolarHBondContact O-N 3.05Å; K805-A808 PolarHBondContact O-N 3.5Å; K805-V809 WeakPolarHBondContact O-CG2 3.21Å; K805-V809 PolarHBondContact O-N 2.83Å; K805-V862 HydrophobicContact CG-CG1 3.95Å; K805-D863 WeakPolarHBondContact CD-OD1 3.46Å; K805-D863 WeakPolarHBondContact CE-OD1 3.43Å; K805-D863 WeakPolarHBondContact CE-OD2 3.39Å; K805-D863 IonicContact NZ-OD1 2.91Å; K805-D863 PolarHBondContact NZ-OD1 3.24Å; K805-D863 IonicContact NZ-OD2 3.75Å; K805-D863 PolarHBondContact NZ-OD2 3.24Å
806Q92.8Very high90.1Very high110 Ų11046.7 Ų46.751%0.51423%0.234SC..Hα-helixtrans-58.5-40.5179.4-73.81704.100111.3N802 W803 V809 R810N802-Q806 VanDerWaalsContact O-CG 3.32Å; N802-Q806 WeakPolarHBondContact O-CG 3.41Å; N802-Q806 PolarHBondContact O-N 3.42Å; W803-Q806 PolarHBondContact O-N 3.41Å; Q806-V809 PolarHBondContact O-N 3.33Å; Q806-R810 WeakPolarHBondContact O-CB 3.45Å; Q806-R810 PolarHBondContact O-N 2.85Å
807E91.4Very high88.6Confident28 Ų2848 Ų4813%0.13124%0.243CC..Hα-helixtrans-70.3-41.1180-168.46817100112.8W803 L804 K805 V809 R810 I811 V898 Y902W803-E807 WeakPolarHBondContact O-CB 3.48Å; W803-E807 PolarHBondContact O-N 3.32Å; L804-E807 PolarHBondContact O-N 3.22Å; K805-E807 PolarHBondContact O-N 3.05Å; E807-V809 VanDerWaalsContact C-N 3.32Å; E807-V809 PolarHBondContact O-N 3.28Å; E807-R810 PolarHBondContact O-N 3.42Å; E807-R810 IonicContact OE1-CZ 2.83Å; E807-R810 IonicContact OE1-NE 3.35Å; E807-R810 IonicContact OE1-NH2 3.9Å; E807-R810 PolarHBondContact OE1-NH2 2.96Å; E807-R810 IonicContact OE2-CZ 3.24Å; E807-R810 IonicContact OE2-NE 3.18Å; E807-R810 PolarHBondContact OE2-NE 2.95Å; E807-R810 IonicContact OE2-NH2 3Å; E807-I811 HydrophobicContact CG-CD1 4.13Å; E807-I811 WeakPolarHBondContact O-CG1 3.43Å; E807-I811 PolarHBondContact O-N 3.1Å; E807-V898 HydrophobicContact CB-CG1 4.35Å; E807-V898 HydrophobicContact CG-CG1 3.79Å; E807-Y902 HydrophobicContact CG-CE2 3.65Å; E807-Y902 WeakPolarHBondContact OE1-CE2 3.43Å; E807-Y902 PolarHBondContact OE1-OH 3.2Å
808A93.2Very high86.9Confident0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-60.8-41.9173.600000111.9L804 K805 A812 V862 L895 V898L804-A808 WeakPolarHBondContact O-CB 3.48Å; L804-A808 PolarHBondContact O-N 3.24Å; K805-A808 PolarHBondContact O-N 3.5Å; A808-A812 WeakPolarHBondContact O-CB 3.46Å; A808-A812 PolarHBondContact O-N 2.94Å; A808-V862 HydrophobicContact CB-CG1 3.72Å; A808-V862 HydrophobicContact CB-CG2 4.03Å; A808-L895 HydrophobicContact CB-CD2 4.12Å; A808-V898 VanDerWaalsContact CA-CG2 3.44Å; A808-V898 HydrophobicContact CB-CG2 3.69Å
809V92.3Very high84.8Confident17 Ų1747.7 Ų47.710%0.10326%0.262CS..Hα-helixtrans-65.5-40.9175.4172.10000111.5K805 Q806 E807 K813 E859 V862K805-V809 WeakPolarHBondContact O-CG2 3.21Å; K805-V809 PolarHBondContact O-N 2.83Å; Q806-V809 PolarHBondContact O-N 3.33Å; E807-V809 VanDerWaalsContact C-N 3.32Å; E807-V809 PolarHBondContact O-N 3.28Å; V809-K813 HydrophobicContact CG1-CD 4.15Å; V809-K813 WeakPolarHBondContact O-CG 3.46Å; V809-K813 PolarHBondContact O-N 2.9Å; V809-E859 HydrophobicContact CB-CG 4.5Å; V809-E859 HydrophobicContact CG1-CG 3.8Å; V809-E859 HydrophobicContact CG2-CB 4.31Å; V809-E859 HydrophobicContact CG2-CG 3.8Å; V809-V862 HydrophobicContact CG2-CB 4.13Å; V809-V862 HydrophobicContact CG2-CG1 4.26Å; V809-V862 HydrophobicContact CG2-CG2 3.89Å
810R90.3Very high82.3Confident86 Ų8653.7 Ų53.733%0.32529%0.285SS..Hα-helixtrans-60.5-53.8178.1-174.7-174.469.7773.3110.9Q806 E807 A812 K813 E814Q806-R810 WeakPolarHBondContact O-CB 3.45Å; Q806-R810 PolarHBondContact O-N 2.85Å; E807-R810 PolarHBondContact O-N 3.42Å; E807-R810 IonicContact OE1-CZ 2.83Å; E807-R810 IonicContact OE1-NE 3.35Å; E807-R810 IonicContact OE1-NH2 3.9Å; E807-R810 PolarHBondContact OE1-NH2 2.96Å; E807-R810 IonicContact OE2-CZ 3.24Å; E807-R810 IonicContact OE2-NE 3.18Å; E807-R810 PolarHBondContact OE2-NE 2.95Å; E807-R810 IonicContact OE2-NH2 3Å; R810-A812 PolarHBondContact O-N 3Å; R810-K813 PolarHBondContact O-N 3.44Å; R810-E814 WeakPolarHBondContact CG-OE1 3.24Å; R810-E814 IonicContact CZ-OE1 2.99Å; R810-E814 IonicContact CZ-OE2 3.66Å; R810-E814 IonicContact NH1-OE1 2.8Å; R810-E814 PolarHBondContact NH1-OE1 2.93Å; R810-E814 IonicContact NH1-OE2 3.23Å; R810-E814 PolarHBondContact NH1-OE2 3.06Å; R810-E814 PolarHBondContact O-N 3.31Å; R810-E814 VanDerWaalsContact O-N 3.11Å
811I88.4Confident79.6Confident0 Ų060.7 Ų60.70%032%0.323CS..Hα-helixtrans-63-42.3-178.3-69.4171.5000111F483 E807 K813 E814 D815 S897 V898 V901F483-I811 HydrophobicContact CE1-CG2 4.04Å; F483-I811 HydrophobicContact CE2-CG2 4.34Å; F483-I811 HydrophobicContact CZ-CG2 3.53Å; E807-I811 HydrophobicContact CG-CD1 4.13Å; E807-I811 WeakPolarHBondContact O-CG1 3.43Å; E807-I811 PolarHBondContact O-N 3.1Å; I811-K813 VanDerWaalsContact C-N 3.27Å; I811-K813 PolarHBondContact O-N 2.98Å; I811-E814 PolarHBondContact O-N 3.44Å; I811-D815 PolarHBondContact O-N 3.4Å; I811-S897 WeakPolarHBondContact CG2-OG 3.18Å; I811-V898 HydrophobicContact CD1-CB 4.34Å; I811-V898 HydrophobicContact CD1-CG1 4.31Å; I811-V898 HydrophobicContact CD1-CG2 4.12Å; I811-V901 HydrophobicContact CD1-CG2 3.9Å
812A88Confident76.8Confident12 Ų1267.3 Ų67.310%0.09936%0.359CS..Hα-helixtrans-65-28.6179.600000113.8A808 R810 S816 V858 L894A808-A812 WeakPolarHBondContact O-CB 3.46Å; A808-A812 PolarHBondContact O-N 2.94Å; R810-A812 PolarHBondContact O-N 3Å; A812-S816 PolarHBondContact O-N 3.47Å; A812-V858 HydrophobicContact CB-CG1 3.46Å; A812-V858 VanDerWaalsContact CB-CG1 3.46Å; A812-L894 HydrophobicContact CB-CD2 4.02Å
813K85.7Confident74Confident88 Ų8870.2 Ų70.238%0.38338%0.375SS..Hα-helixtrans-77-38.2173.7-73.1176.6-179.4176.60112.1V809 R810 I811 D815 S816 D817 E859V809-K813 HydrophobicContact CG1-CD 4.15Å; V809-K813 WeakPolarHBondContact O-CG 3.46Å; V809-K813 PolarHBondContact O-N 2.9Å; R810-K813 PolarHBondContact O-N 3.44Å; I811-K813 VanDerWaalsContact C-N 3.27Å; I811-K813 PolarHBondContact O-N 2.98Å; K813-D815 VanDerWaalsContact C-N 3.3Å; K813-D815 PolarHBondContact O-N 3.42Å; K813-S816 WeakPolarHBondContact CA-OG 3.47Å; K813-S816 PolarHBondContact O-N 3.1Å; K813-S816 PolarHBondContact O-OG 3.49Å; K813-D817 PolarHBondContact O-N 2.97Å; K813-D817 VanDerWaalsContact O-N 3.12Å; K813-E859 WeakPolarHBondContact CE-OE1 3.26Å; K813-E859 IonicContact NZ-OE1 2.66Å; K813-E859 PolarHBondContact NZ-OE1 2.84Å
814E81Confident71.1Confident85 Ų8574.2 Ų74.240%0.39741%0.409SS..Hα-helixtrans-61.9-40.3174.6-73168.6-171.400111.4R810 I811 D817 A818R810-E814 WeakPolarHBondContact CG-OE1 3.24Å; R810-E814 IonicContact CZ-OE1 2.99Å; R810-E814 IonicContact CZ-OE2 3.66Å; R810-E814 IonicContact NH1-OE1 2.8Å; R810-E814 PolarHBondContact NH1-OE1 2.93Å; R810-E814 IonicContact NH1-OE2 3.23Å; R810-E814 PolarHBondContact NH1-OE2 3.06Å; R810-E814 PolarHBondContact O-N 3.31Å; R810-E814 VanDerWaalsContact O-N 3.11Å; I811-E814 PolarHBondContact O-N 3.44Å; E814-D817 PolarHBondContact O-N 2.95Å; E814-A818 PolarHBondContact O-N 3.44Å
815D74.8Confident68.1Low65 Ų6576.6 Ų76.635%0.34843%0.434SS..Hα-helixtrans-67.2-33.5176.1-75.3-12.7000112.7I811 K813I811-D815 PolarHBondContact O-N 3.4Å; K813-D815 VanDerWaalsContact C-N 3.3Å; K813-D815 PolarHBondContact O-N 3.42Å
816S71.3Confident65Low60 Ų6080.3 Ų80.342%0.4246%0.457SS..Hα-helixtrans-71-40.5176.557.80000112.7A812 K813 A818 G819A812-S816 PolarHBondContact O-N 3.47Å; K813-S816 WeakPolarHBondContact CA-OG 3.47Å; K813-S816 PolarHBondContact O-N 3.1Å; K813-S816 PolarHBondContact O-OG 3.49Å; S816-A818 VanDerWaalsContact C-N 3.34Å; S816-A818 PolarHBondContact O-N 3.14Å; S816-G819 PolarHBondContact O-N 3.44Å
817D60.5Low62.5Low101 Ų10181.2 Ų81.254%0.5447%0.472SS..Hα-helixtrans-73.6-27-177.4-67.3-4.7000112.1K813 E814 G819 N821K813-D817 PolarHBondContact O-N 2.97Å; K813-D817 VanDerWaalsContact O-N 3.12Å; E814-D817 PolarHBondContact O-N 2.95Å; D817-G819 VanDerWaalsContact C-N 3.3Å; D817-G819 PolarHBondContact O-N 3.23Å; D817-N821 PolarHBondContact O-ND2 2.85Å
818A59.3Low59.9Low59 Ų5984.2 Ų84.249%0.48850%0.496SS..Hα-helixtrans-69.5-25.9174.100000113.2E814 S816E814-A818 PolarHBondContact O-N 3.44Å; S816-A818 VanDerWaalsContact C-N 3.34Å; S816-A818 PolarHBondContact O-N 3.14Å
819G49.4Very low56.8Low57 Ų5790.3 Ų90.359%0.58853%0.528SS*.Hα-helixtrans-81-20.1-178.700000115.4S816 D817S816-G819 PolarHBondContact O-N 3.44Å; D817-G819 VanDerWaalsContact C-N 3.3Å; D817-G819 PolarHBondContact O-N 3.23Å
820E41.7Very low54.3Low155 Ų15596 Ų9672%0.72457%0.566SS**G310 helixtrans-85.3-15-177.3-67.9-170160.600113.8
821N37.8Very low51.9Low146 Ų14695.7 Ų95.778%0.78158%0.577SS**G310 helixtrans-86.9-0.3-175.4-75.2-47.9000114.9D817D817-N821 PolarHBondContact O-ND2 2.85Å
822D36.9Very low49Very low158 Ų158101.9 Ų101.985%0.84562%0.619SS**G310 helixtrans-112.26.1-176.3-132.818.6000114.2
823D34.9Very low46.5Very low136 Ų136109.7 Ų109.773%0.72765%0.653SS**  trans-117.981.4175.3-163.730.9000112.1
824C33.8Very low44.5Very low139 Ų139109.8 Ų109.894%0.93967%0.67SS**  trans-100.368.2157.264.30000109.8
825G32.4Very low42.7Very low50 Ų50109.7 Ų109.752%0.51569%0.691SS.*  trans-110.2121.3167.900000111.7
826D29.9Very low41.6Very low135 Ų135110.9 Ų110.972%0.72270%0.698SS**  trans-40.7129.7177.6-169.54.5000114.8S828D826-S828 PolarHBondContact O-N 3.33Å
827P39.1Very low41.4Very low129 Ų129111.3 Ų111.384%0.83870%0.701SS**SBendtrans-79.454.6-173.133-37.6000114.2
828S36.3Very low41.8Very low91 Ų91108.9 Ų108.964%0.63670%0.699SS**  trans-137.342.1-173.6-540000114.7D826D826-S828 PolarHBondContact O-N 3.33Å
829D28.5Very low42.2Very low127 Ų127111.9 Ų111.968%0.67971%0.705SS**  trans-152.6110.1165.8-154.5-19.4000113.1S831D829-S831 VanDerWaalsContact C-N 3.25Å; D829-S831 PolarHBondContact O-N 2.99Å; D829-S831 PolarHBondContact OD1-OG 3.43Å
830P40.9Very low42.8Very low137 Ų137114.2 Ų114.289%0.8970%0.7SS**  trans-84.959.6177.234.9-32.2000111.3
831S38.3Very low44.1Very low79 Ų79114.3 Ų114.355%0.55270%0.699SS**  trans-150.847.5-179.270.90000116.5D829D829-S831 VanDerWaalsContact C-N 3.25Å; D829-S831 PolarHBondContact O-N 2.99Å; D829-S831 PolarHBondContact OD1-OG 3.43Å
832C28.7Very low45.8Very low131 Ų131113 Ų11389%0.88569%0.691SS**  trans-131.269166.9-83.20000112.2A834C832-A834 PolarHBondContact O-N 3.17Å
833H36.2Very low47.4Very low176 Ų176108.2 Ų108.282%0.81567%0.665SS**  trans-82.5101.1156.3-73.5-67.6000108.2G835H833-G835 PolarHBondContact O-N 3.5Å
834A43.2Very low48.6Very low90 Ų90102.3 Ų102.374%0.74464%0.637SS**  trans-53.9133.2161.200000108.4C832 L836C832-A834 PolarHBondContact O-N 3.17Å; A834-L836 PolarHBondContact O-N 3.41Å
835G42.3Very low50Low82 Ų82102.6 Ų102.685%0.84563%0.629SS**  trans-53.9108.8-166.700000113.2H833H833-G835 PolarHBondContact O-N 3.5Å
836L52.8Low51.1Low91 Ų91106.3 Ų106.348%0.47664%0.636SS.*  trans-57141.5170.6-63.6169.2000109.4A834 E840A834-L836 PolarHBondContact O-N 3.41Å; L836-E840 HydrophobicContact CB-CB 4.37Å; L836-E840 HydrophobicContact CB-CG 4.5Å; L836-E840 VanDerWaalsContact CD2-CD 3.47Å; L836-E840 HydrophobicContact CD2-CG 3.98Å
837S65.5Low52.2Low69 Ų69108 Ų10848%0.48364%0.638SS.*  trans-55.4144.3168.9148.60000109.4M839 E840 F841S837-M839 PolarHBondContact O-N 3.08Å; S837-M839 PolarHBondContact OG-N 2.75Å; S837-E840 WeakPolarHBondContact O-CA 3.09Å; S837-E840 WeakPolarHBondContact O-CB 3.22Å; S837-E840 PolarHBondContact O-N 3.21Å; S837-F841 PolarHBondContact O-N 2.95Å
838G68.8Low52.4Low50 Ų50106.6 Ų106.652%0.51563%0.629SS.*Hα-helixtrans-54.2-29.6179.100000113.4L842G838-L842 VanDerWaalsContact O-CB 3.29Å; G838-L842 WeakPolarHBondContact O-CB 3.44Å; G838-L842 VanDerWaalsContact O-CD1 3.28Å; G838-L842 WeakPolarHBondContact O-CD1 3.42Å; G838-L842 WeakPolarHBondContact O-CG 3.38Å; G838-L842 PolarHBondContact O-N 3.23Å; G838-L842 VanDerWaalsContact O-N 3.07Å
839M68.8Low52.8Low121 Ų121106.8 Ų106.860%0.59663%0.63SS**Hα-helixtrans-75.4-34.5175.2-69.9-66-77.600112.9S837 L842 L843S837-M839 PolarHBondContact O-N 3.08Å; S837-M839 PolarHBondContact OG-N 2.75Å; M839-L842 PolarHBondContact O-N 3.25Å; M839-L843 HydrophobicContact CE-CD1 3.51Å; M839-L843 WeakPolarHBondContact O-CA 3.34Å; M839-L843 VanDerWaalsContact O-CB 3.3Å; M839-L843 WeakPolarHBondContact O-CB 3.23Å; M839-L843 PolarHBondContact O-N 2.64Å; M839-L843 HydrophobicContact SD-CD1 4.3Å
840E61.2Low53.4Low106 Ų106106.2 Ų106.250%0.49563%0.632SS.*Hα-helixtrans-73.4-35.1177.1-168.3175-165.600111L836 S837 G844L836-E840 HydrophobicContact CB-CB 4.37Å; L836-E840 HydrophobicContact CB-CG 4.5Å; L836-E840 VanDerWaalsContact CD2-CD 3.47Å; L836-E840 HydrophobicContact CD2-CG 3.98Å; S837-E840 WeakPolarHBondContact O-CA 3.09Å; S837-E840 WeakPolarHBondContact O-CB 3.22Å; S837-E840 PolarHBondContact O-N 3.21Å; E840-G844 WeakPolarHBondContact O-CA 3.48Å; E840-G844 PolarHBondContact O-N 2.9Å
841F70.7Confident53.3Low158 Ų158104.6 Ų104.669%0.69362%0.621SS**Hα-helixtrans-65.4-40.2169179.3-96.3000112.6S837S837-F841 PolarHBondContact O-N 2.95Å
842L72Confident53.4Low118 Ų118113.5 Ų113.562%0.61864%0.643SS**Hα-helixtrans-81.4-32.3-175.7-73.3169.9000113.6G838 M839G838-L842 VanDerWaalsContact O-CB 3.29Å; G838-L842 WeakPolarHBondContact O-CB 3.44Å; G838-L842 VanDerWaalsContact O-CD1 3.28Å; G838-L842 WeakPolarHBondContact O-CD1 3.42Å; G838-L842 WeakPolarHBondContact O-CG 3.38Å; G838-L842 PolarHBondContact O-N 3.23Å; G838-L842 VanDerWaalsContact O-N 3.07Å; M839-L842 PolarHBondContact O-N 3.25Å
843L71.4Confident54.1Low57 Ų57111.3 Ų111.330%0.29863%0.629SS.*Hα-helixtrans-129.2-3.2-168.6-53.9174.8000113.2M839 D845 L846 F847M839-L843 HydrophobicContact CE-CD1 3.51Å; M839-L843 WeakPolarHBondContact O-CA 3.34Å; M839-L843 VanDerWaalsContact O-CB 3.3Å; M839-L843 WeakPolarHBondContact O-CB 3.23Å; M839-L843 PolarHBondContact O-N 2.64Å; M839-L843 HydrophobicContact SD-CD1 4.3Å; L843-D845 VanDerWaalsContact C-N 3.26Å; L843-D845 PolarHBondContact O-N 3.33Å; L843-L846 HydrophobicContact CD2-CD1 3.92Å; L843-L846 WeakPolarHBondContact O-CB 3.25Å; L843-L846 PolarHBondContact O-N 3.36Å; L843-F847 HydrophobicContact CB-CD2 3.83Å; L843-F847 HydrophobicContact CB-CE2 4.01Å; L843-F847 HydrophobicContact CD1-CE2 4.15Å; L843-F847 WeakPolarHBondContact O-CD2 3.43Å; L843-F847 PolarHBondContact O-N 3.3Å
844G58.9Low54.3Low13 Ų13114.1 Ų114.113%0.13463%0.632CS.*Hα-helixtrans-53.7-43.7-177.600000112E840 L846 F847 C848E840-G844 WeakPolarHBondContact O-CA 3.48Å; E840-G844 PolarHBondContact O-N 2.9Å; G844-L846 VanDerWaalsContact C-N 3.3Å; G844-L846 PolarHBondContact O-N 2.9Å; G844-F847 PolarHBondContact O-N 3.46Å; G844-C848 WeakPolarHBondContact O-CA 3.37Å; G844-C848 WeakPolarHBondContact O-CB 3.21Å; G844-C848 PolarHBondContact O-N 2.89Å; G844-C848 PolarHBondContact O-SG 2.86Å
845D63.7Low54.4Low144 Ų144119.2 Ų119.277%0.7764%0.641SS**Hα-helixtrans-69.3-27.6178.9-61.9-16.2000113.1L843 S849L843-D845 VanDerWaalsContact C-N 3.26Å; L843-D845 PolarHBondContact O-N 3.33Å; D845-S849 PolarHBondContact O-OG 3.01Å
846L55.3Low55.2Low128 Ų128118.7 Ų118.767%0.6763%0.625SS**Hα-helixtrans-80.8-29.7-178.9-70167.1000112.7L843 G844L843-L846 HydrophobicContact CD2-CD1 3.92Å; L843-L846 WeakPolarHBondContact O-CB 3.25Å; L843-L846 PolarHBondContact O-N 3.36Å; G844-L846 VanDerWaalsContact C-N 3.3Å; G844-L846 PolarHBondContact O-N 2.9Å
847F54.2Low56.6Low172 Ų172116.3 Ų116.375%0.75462%0.616SS**Hα-helixtrans-104.5-21.1179.9-71.3-90.8000113.7L843 G844 S849L843-F847 HydrophobicContact CB-CD2 3.83Å; L843-F847 HydrophobicContact CB-CE2 4.01Å; L843-F847 HydrophobicContact CD1-CE2 4.15Å; L843-F847 WeakPolarHBondContact O-CD2 3.43Å; L843-F847 PolarHBondContact O-N 3.3Å; G844-F847 PolarHBondContact O-N 3.46Å; F847-S849 VanDerWaalsContact C-N 3.3Å
848C42.8Very low57.6Low98 Ų98115.4 Ų115.466%0.66261%0.607SS**  trans-91.818.5171.8-64.10000113.1G844 T850G844-C848 WeakPolarHBondContact O-CA 3.37Å; G844-C848 WeakPolarHBondContact O-CB 3.21Å; G844-C848 PolarHBondContact O-N 2.89Å; G844-C848 PolarHBondContact O-SG 2.86Å; C848-T850 PolarHBondContact O-N 2.89Å
849S43.7Very low58.5Low95 Ų95116.6 Ų116.666%0.66460%0.599SS**  trans-76.961.3170.9-760000111.5D845 F847D845-S849 PolarHBondContact O-OG 3.01Å; F847-S849 VanDerWaalsContact C-N 3.3Å
850T41.1Very low59.5Low115 Ų115115.7 Ų115.771%0.70659%0.593SS**SBendtrans-113.6135.8150.644.70000107.8C848 R852C848-T850 PolarHBondContact O-N 2.89Å; T850-R852 PolarHBondContact O-N 3.3Å
851P40.4Very low60.9Low103 Ų103112.7 Ų112.767%0.66958%0.584SS**  trans-56.8144.4178.124.7-31.5000108.6S853P851-S853 PolarHBondContact O-N 2.87Å
852R40.8Very low61.9Low266 Ų266105.1 Ų105.1100%1.00455%0.551SS**SBendtrans-58.860.3173-77.3177.3159.4177.7-6.2112.4T850T850-R852 PolarHBondContact O-N 3.3Å
853S43.1Very low62.8Low86 Ų86102.4 Ų102.460%0.60154%0.537SS*.  trans-129.5111.7176.470.70000108.7P851P851-S853 PolarHBondContact O-N 2.87Å
854R40.8Very low63.7Low234 Ų234106.1 Ų106.188%0.88355%0.554SS**  trans69.595.1-177.7-63.9179.7175.2171.3-2.7114.2S856R854-S856 PolarHBondContact O-N 3.23Å
855Q45.2Very low65.4Low197 Ų197106.2 Ų106.292%0.92155%0.551SS**PPolyproline II helixtrans-50.4122.8144.3-73.9169.2-24.100106.1S857Q855-S857 PolarHBondContact O-N 2.89Å
856S58Low66.7Low72 Ų7299.6 Ų99.650%0.50352%0.516SS..PPolyproline II helixtrans-56.4132.4174.450.30000108R854 E860R854-S856 PolarHBondContact O-N 3.23Å; S856-E860 VanDerWaalsContact CA-OE2 3.27Å; S856-E860 WeakPolarHBondContact CA-OE2 3.33Å; S856-E860 WeakPolarHBondContact CB-OE2 3.2Å
857S82.4Confident68.3Low41 Ų4197.1 Ų97.129%0.28751%0.509SS..PPolyproline II helixtrans-62155179.982.20000110Q855 E859 E860 S861Q855-S857 PolarHBondContact O-N 2.89Å; S857-E859 PolarHBondContact O-N 3.27Å; S857-E859 PolarHBondContact OG-N 3.03Å; S857-E859 PolarHBondContact OG-OE2 3Å; S857-E859 VanDerWaalsContact OG-OE2 3.08Å; S857-E860 PolarHBondContact N-OE2 2.94Å; S857-E860 PolarHBondContact O-N 3.44Å; S857-E860 PolarHBondContact OG-N 3.4Å; S857-S861 PolarHBondContact O-N 3.48Å; S857-S861 VanDerWaalsContact O-N 3.11Å; S857-S861 PolarHBondContact O-OG 3.42Å
858V86Confident70.1Confident50 Ų5092 Ų9230%0.30349%0.492SS..Hα-helixtrans-52.6-37.9173.4174.40000110A812 S861 V862A812-V858 HydrophobicContact CB-CG1 3.46Å; A812-V858 VanDerWaalsContact CB-CG1 3.46Å; V858-S861 PolarHBondContact O-N 3.38Å; V858-V862 HydrophobicContact CG1-CG2 4.5Å; V858-V862 WeakPolarHBondContact O-CG2 3.42Å; V858-V862 PolarHBondContact O-N 3.48Å
859E89.1Confident72.3Confident74 Ų7487.4 Ų87.435%0.34646%0.461SS..Hα-helixtrans-64.1-41176.6-60.3109.3-17600113.4V809 K813 S857 S861 V862 D863V809-E859 HydrophobicContact CB-CG 4.5Å; V809-E859 HydrophobicContact CG1-CG 3.8Å; V809-E859 HydrophobicContact CG2-CB 4.31Å; V809-E859 HydrophobicContact CG2-CG 3.8Å; K813-E859 WeakPolarHBondContact CE-OE1 3.26Å; K813-E859 IonicContact NZ-OE1 2.66Å; K813-E859 PolarHBondContact NZ-OE1 2.84Å; S857-E859 PolarHBondContact O-N 3.27Å; S857-E859 PolarHBondContact OG-N 3.03Å; S857-E859 PolarHBondContact OG-OE2 3Å; S857-E859 VanDerWaalsContact OG-OE2 3.08Å; E859-S861 VanDerWaalsContact C-N 3.3Å; E859-S861 PolarHBondContact O-N 3.5Å; E859-V862 PolarHBondContact O-N 2.96Å; E859-D863 WeakPolarHBondContact O-CB 3.29Å; E859-D863 PolarHBondContact O-N 3.23Å
860E88.4Confident74.4Confident102 Ų10288.3 Ų88.348%0.47745%0.45SS..Hα-helixtrans-64-36.6176.4-72.4174.9171.500111.8S856 S857 D863 M864S856-E860 VanDerWaalsContact CA-OE2 3.27Å; S856-E860 WeakPolarHBondContact CA-OE2 3.33Å; S856-E860 WeakPolarHBondContact CB-OE2 3.2Å; S857-E860 PolarHBondContact N-OE2 2.94Å; S857-E860 PolarHBondContact O-N 3.44Å; S857-E860 PolarHBondContact OG-N 3.4Å; E860-D863 PolarHBondContact O-N 2.86Å; E860-M864 PolarHBondContact O-N 2.87Å
861S90.1Very high76.4Confident43 Ų4386.9 Ų86.930%0.30145%0.449SS..Hα-helixtrans-68.8-44.4177.3-54.60000111.4S857 V858 E859 D863 M864 E865S857-S861 PolarHBondContact O-N 3.48Å; S857-S861 VanDerWaalsContact O-N 3.11Å; S857-S861 PolarHBondContact O-OG 3.42Å; V858-S861 PolarHBondContact O-N 3.38Å; E859-S861 VanDerWaalsContact C-N 3.3Å; E859-S861 PolarHBondContact O-N 3.5Å; S861-D863 VanDerWaalsContact C-N 3.31Å; S861-D863 PolarHBondContact O-N 3.09Å; S861-M864 PolarHBondContact O-N 3.16Å; S861-E865 PolarHBondContact O-N 3.3Å
862V92.1Very high78.3Confident0 Ų084.1 Ų84.10%043%0.429CS..Hα-helixtrans-60.4-41.2173173.70000111K805 A808 V809 V858 E859 M864 E865 M866 L894K805-V862 HydrophobicContact CG-CG1 3.95Å; A808-V862 HydrophobicContact CB-CG1 3.72Å; A808-V862 HydrophobicContact CB-CG2 4.03Å; V809-V862 HydrophobicContact CG2-CB 4.13Å; V809-V862 HydrophobicContact CG2-CG1 4.26Å; V809-V862 HydrophobicContact CG2-CG2 3.89Å; V858-V862 HydrophobicContact CG1-CG2 4.5Å; V858-V862 WeakPolarHBondContact O-CG2 3.42Å; V858-V862 PolarHBondContact O-N 3.48Å; E859-V862 PolarHBondContact O-N 2.96Å; V862-M864 PolarHBondContact O-N 3.29Å; V862-E865 PolarHBondContact O-N 2.9Å; V862-M866 HydrophobicContact CG1-CG 4.02Å; V862-M866 VanDerWaalsContact O-CB 3.26Å; V862-M866 WeakPolarHBondContact O-CB 3.28Å; V862-M866 WeakPolarHBondContact O-CG 3.33Å; V862-M866 PolarHBondContact O-N 3.26Å; V862-L894 HydrophobicContact CB-CD1 4.43Å; V862-L894 HydrophobicContact CG2-CB 4.29Å; V862-L894 HydrophobicContact CG2-CD1 3.61Å
863D91.6Very high79.8Confident60 Ų6082.3 Ų82.332%0.32142%0.422SS..Hα-helixtrans-63.4-41.1178.8-87.7-33.3000113K805 E859 E860 S861 S867K805-D863 WeakPolarHBondContact CD-OD1 3.46Å; K805-D863 WeakPolarHBondContact CE-OD1 3.43Å; K805-D863 WeakPolarHBondContact CE-OD2 3.39Å; K805-D863 IonicContact NZ-OD1 2.91Å; K805-D863 PolarHBondContact NZ-OD1 3.24Å; K805-D863 IonicContact NZ-OD2 3.75Å; K805-D863 PolarHBondContact NZ-OD2 3.24Å; E859-D863 WeakPolarHBondContact O-CB 3.29Å; E859-D863 PolarHBondContact O-N 3.23Å; E860-D863 PolarHBondContact O-N 2.86Å; S861-D863 VanDerWaalsContact C-N 3.31Å; S861-D863 PolarHBondContact O-N 3.09Å; D863-S867 WeakPolarHBondContact O-CB 3.29Å; D863-S867 PolarHBondContact O-N 2.97Å; D863-S867 PolarHBondContact O-OG 3.43Å
864M90Very high81.2Confident135 Ų13580 Ų8067%0.66541%0.412SS*.Hα-helixtrans-61.2-49.3174.6-170.169.869.800110.5E860 S861 V862 S867 V868E860-M864 PolarHBondContact O-N 2.87Å; S861-M864 PolarHBondContact O-N 3.16Å; V862-M864 PolarHBondContact O-N 3.29Å; M864-S867 WeakPolarHBondContact O-CB 3.38Å; M864-S867 PolarHBondContact O-N 3.45Å; M864-V868 WeakPolarHBondContact O-CG2 3.39Å; M864-V868 PolarHBondContact O-N 3.42Å; M864-V868 VanDerWaalsContact O-N 3.13Å
865E94.3Very high83Confident16 Ų1669.8 Ų69.88%0.07538%0.378CS..Hα-helixtrans-62-46.5-179.4-161.1179.4134.600111.9S861 V862 S867 V868 F869 F892 P893 L894 L895S861-E865 PolarHBondContact O-N 3.3Å; V862-E865 PolarHBondContact O-N 2.9Å; E865-S867 VanDerWaalsContact C-N 3.29Å; E865-S867 PolarHBondContact O-N 3.34Å; E865-V868 PolarHBondContact O-N 2.91Å; E865-F869 VanDerWaalsContact O-CB 3.26Å; E865-F869 WeakPolarHBondContact O-CB 3.24Å; E865-F869 PolarHBondContact O-N 3.22Å; E865-F892 VanDerWaalsContact CD-C 3.44Å; E865-F892 HydrophobicContact CG-CB 4.1Å; E865-F892 HydrophobicContact CG-CD1 3.62Å; E865-F892 HydrophobicContact CG-CG 4.32Å; E865-F892 WeakPolarHBondContact OE1-CA 3.37Å; E865-F892 WeakPolarHBondContact OE1-CB 3.47Å; E865-F892 VanDerWaalsContact OE1-O 3.11Å; E865-P893 WeakPolarHBondContact OE2-CD 3.44Å; E865-L894 PolarHBondContact OE1-N 3.5Å; E865-L894 VanDerWaalsContact OE2-CB 3.23Å; E865-L894 WeakPolarHBondContact OE2-CB 3.32Å; E865-L894 WeakPolarHBondContact OE2-CG 3.45Å; E865-L894 PolarHBondContact OE2-N 2.96Å; E865-L895 HydrophobicContact CG-CD1 4.11Å; E865-L895 HydrophobicContact CG-CG 4.23Å; E865-L895 WeakPolarHBondContact OE1-CB 3.32Å; E865-L895 WeakPolarHBondContact OE1-CG 3.5Å; E865-L895 PolarHBondContact OE1-N 3.45Å
866M91.3Very high84.4Confident4 Ų464.5 Ų64.52%0.0236%0.362CS..Hα-helixtrans-59.6-37.7175.7-78.4-70.4-71.200112.6F801 L804 V862 R870 L895F801-M866 HydrophobicContact CB-CE 3.93Å; F801-M866 HydrophobicContact CD1-CE 4Å; F801-M866 HydrophobicContact CG-CE 4.42Å; F801-M866 WeakPolarHBondContact O-CE 3.29Å; L804-M866 HydrophobicContact CB-CE 4.31Å; L804-M866 HydrophobicContact CD2-CE 3.91Å; L804-M866 HydrophobicContact CD2-SD 3.68Å; L804-M866 HydrophobicContact CG-CE 4.11Å; L804-M866 HydrophobicContact CG-SD 3.88Å; V862-M866 HydrophobicContact CG1-CG 4.02Å; V862-M866 VanDerWaalsContact O-CB 3.26Å; V862-M866 WeakPolarHBondContact O-CB 3.28Å; V862-M866 WeakPolarHBondContact O-CG 3.33Å; V862-M866 PolarHBondContact O-N 3.26Å; M866-R870 WeakPolarHBondContact O-CB 3.44Å; M866-R870 VanDerWaalsContact O-CG 3.28Å; M866-R870 WeakPolarHBondContact O-CG 3.44Å; M866-R870 PolarHBondContact O-N 2.82Å; M866-L895 HydrophobicContact CG-CD1 4.49Å; M866-L895 HydrophobicContact CG-CD2 4.21Å; M866-L895 HydrophobicContact SD-CD1 3.91Å; M866-L895 HydrophobicContact SD-CD2 3.54Å; M866-L895 VanDerWaalsContact SD-CD2 3.54Å; M866-L895 HydrophobicContact SD-CG 4.34Å
867S90Very high84.7Confident76 Ų7667.8 Ų67.853%0.53137%0.374SS..Hα-helixtrans-66.8-44.1178.8-61.60000111.4D863 M864 E865 A871D863-S867 WeakPolarHBondContact O-CB 3.29Å; D863-S867 PolarHBondContact O-N 2.97Å; D863-S867 PolarHBondContact O-OG 3.43Å; M864-S867 WeakPolarHBondContact O-CB 3.38Å; M864-S867 PolarHBondContact O-N 3.45Å; E865-S867 VanDerWaalsContact C-N 3.29Å; E865-S867 PolarHBondContact O-N 3.34Å; S867-A871 WeakPolarHBondContact O-CB 3.42Å; S867-A871 PolarHBondContact O-N 2.85Å
868V90.4Very high83.8Confident66 Ų6669.2 Ų69.240%0.439%0.394SS..Hα-helixtrans-68.1-43.3175.8-1800000110.7M864 E865 R870 A871 D872 F892M864-V868 WeakPolarHBondContact O-CG2 3.39Å; M864-V868 PolarHBondContact O-N 3.42Å; M864-V868 VanDerWaalsContact O-N 3.13Å; E865-V868 PolarHBondContact O-N 2.91Å; V868-R870 PolarHBondContact O-N 2.62Å; V868-A871 PolarHBondContact O-N 2.52Å; V868-D872 PolarHBondContact O-N 2.99Å; V868-F892 HydrophobicContact CB-CE1 4.05Å; V868-F892 HydrophobicContact CG1-CE1 3.76Å; V868-F892 HydrophobicContact CG1-CZ 4.16Å
869F89.9Confident83.4Confident0 Ų069.2 Ų69.20%040%0.395CS..Hα-helixtrans-55.3-54.6176.8179.3-105.3000110.3H787 L804 E865 A871 D872 W884 W885 F892 L895H787-F869 AromaticContact CE1-CD1 3.67Å; H787-F869 AromaticContact CE1-CE1 3.53Å; H787-F869 AromaticContact CE1-CE2 3.88Å; H787-F869 AromaticContact CE1-CG 3.91Å; H787-F869 AromaticContact CE1-CZ 3.63Å; H787-F869 PolarHBondContact CE1-O 2.84Å; H787-F869 AromaticContact ND1-CE1 3.6Å; H787-F869 AromaticContact ND1-CE2 3.92Å; H787-F869 AromaticContact ND1-CZ 3.42Å; H787-F869 WeakPolarHBondContact ND1-CZ 3.36Å; H787-F869 PolarHBondContact NE2-O 3.43Å; L804-F869 HydrophobicContact CD2-CE1 4.46Å; E865-F869 VanDerWaalsContact O-CB 3.26Å; E865-F869 WeakPolarHBondContact O-CB 3.24Å; E865-F869 PolarHBondContact O-N 3.22Å; F869-A871 VanDerWaalsContact C-N 3.26Å; F869-A871 PolarHBondContact O-N 3.14Å; F869-D872 WeakPolarHBondContact O-CB 3.4Å; F869-D872 PolarHBondContact O-N 2.87Å; F869-W884 HydrophobicContact CD2-CH2 4.22Å; F869-W884 AromaticContact CE2-CH2 3.79Å; F869-W884 HydrophobicContact CE2-CH2 3.79Å; F869-W884 HydrophobicContact CE2-CZ3 4.17Å; F869-W885 HydrophobicContact CD2-CH2 4.44Å; F869-W885 AromaticContact CE2-CH2 3.93Å; F869-W885 HydrophobicContact CE2-CH2 3.93Å; F869-W885 HydrophobicContact CE2-CZ2 4.01Å; F869-W885 HydrophobicContact CZ-CZ2 4.39Å; F869-F892 HydrophobicContact CB-CD1 4.41Å; F869-F892 HydrophobicContact CB-CE1 4.06Å; F869-F892 HydrophobicContact CB-CZ 4.3Å; F869-F892 HydrophobicContact CD2-CD2 4.18Å; F869-F892 HydrophobicContact CD2-CE2 4.08Å; F869-F892 HydrophobicContact CD2-CZ 4.35Å; F869-L895 HydrophobicContact CB-CD1 3.66Å; F869-L895 HydrophobicContact CD1-CD1 4.07Å; F869-L895 HydrophobicContact CD2-CD1 4.02Å; F869-L895 HydrophobicContact CG-CD1 3.65Å
870R86.9Confident83.2Confident114 Ų11469.7 Ų69.743%0.4340%0.397SS..Hα-helixtrans-61.7-30.6179.4-70.8-175.4-162.9-177.514.8114F801 M866 V868 D872F801-R870 HydrophobicContact CD1-CG 4.37Å; F801-R870 HydrophobicContact CE1-CG 4.16Å; F801-R870 HydrophobicContact CZ-CG 4.37Å; M866-R870 WeakPolarHBondContact O-CB 3.44Å; M866-R870 VanDerWaalsContact O-CG 3.28Å; M866-R870 WeakPolarHBondContact O-CG 3.44Å; M866-R870 PolarHBondContact O-N 2.82Å; V868-R870 PolarHBondContact O-N 2.62Å; R870-D872 VanDerWaalsContact C-N 3.35Å
871A83.9Confident83.2Confident85 Ų8565 Ų6570%0.70238%0.375SS*.Hα-helixtrans-78.5-18.917800000113.3S867 V868 F869S867-A871 WeakPolarHBondContact O-CB 3.42Å; S867-A871 PolarHBondContact O-N 2.85Å; V868-A871 PolarHBondContact O-N 2.52Å; F869-A871 VanDerWaalsContact C-N 3.26Å; F869-A871 PolarHBondContact O-N 3.14Å
872D80Confident83.1Confident46 Ų4663.3 Ų63.325%0.24636%0.363CS..SBendtrans-67.4152.3177.8-157.5-2.4000111.3H787 V868 F869 R870 G874 K888H787-D872 PolarHBondContact CD2-O 2.68Å; H787-D872 PolarHBondContact NE2-O 3.04Å; V868-D872 PolarHBondContact O-N 2.99Å; F869-D872 WeakPolarHBondContact O-CB 3.4Å; F869-D872 PolarHBondContact O-N 2.87Å; R870-D872 VanDerWaalsContact C-N 3.35Å; D872-G874 PolarHBondContact O-N 3.2Å; D872-K888 IonicContact OD2-NZ 3Å; D872-K888 PolarHBondContact OD2-NZ 3.45Å
873R72.3Confident83Confident228 Ų22864.7 Ų64.786%0.8637%0.369SS*.PPolyproline II helixtrans-80.2120170.6-65.9-167.3-167.3-98.83107.7
874G71.8Confident82.9Confident36 Ų3663 Ų6337%0.37136%0.358SS..PPolyproline II helixtrans-56.4172.6172.200000112.9P784 D872P784-G874 CarbonylContact O-C 3.55Å; P784-G874 WeakPolarHBondContact O-CA 3.13Å; D872-G874 PolarHBondContact O-N 3.2Å
875A78.5Confident83Confident21 Ų2156.5 Ų56.517%0.17433%0.326CS..PPolyproline II helixtrans-83.9156179.300000112.2P784 V879P784-A875 HydrophobicContact CB-CB 3.77Å; P784-A875 HydrophobicContact CG-CB 4.15Å; P784-A875 PolarHBondContact O-N 3.15Å; A875-V879 HydrophobicContact CB-CB 3.82Å; A875-V879 HydrophobicContact CB-CG1 4.13Å; A875-V879 HydrophobicContact CB-CG2 4Å
876S74.6Confident82.8Confident85 Ų8561.2 Ų61.259%0.59434%0.344SS*.PPolyproline II helixtrans-68.4150.4169.356.40000111.4G878 V879S876-G878 PolarHBondContact O-N 3.41Å; S876-V879 PolarHBondContact O-N 3.2Å; S876-V879 VanDerWaalsContact O-N 3.16Å
877L65.2Low82.7Confident142 Ų14263.8 Ų63.874%0.74336%0.359SS*.THydrogen-bonded Turntrans-55.7112.1171.3-65.1167.7000109.3Q785 F786Q785-L877 HydrophobicContact CB-CD2 4.27Å; F786-L877 HydrophobicContact CE1-CD2 4.5Å
878G63.8Low82.6Confident70 Ų7061.9 Ų61.972%0.72234%0.342SS*.THydrogen-bonded Turntrans122.3-11-176.300000115.9Q785 S876Q785-G878 VanDerWaalsContact OE1-N 3.1Å; S876-G878 PolarHBondContact O-N 3.41Å
879V77.8Confident82.6Confident51 Ų5159.7 Ų59.731%0.30933%0.33SS..SBendtrans-76.3132.9169177.10000109.4A875 S876 P881 W884A875-V879 HydrophobicContact CB-CB 3.82Å; A875-V879 HydrophobicContact CB-CG1 4.13Å; A875-V879 HydrophobicContact CB-CG2 4Å; S876-V879 PolarHBondContact O-N 3.2Å; S876-V879 VanDerWaalsContact O-N 3.16Å; V879-P881 WeakPolarHBondContact O-CD 3.4Å; V879-W884 HydrophobicContact CG1-CB 4.41Å
880E83.8Confident82.5Confident84 Ų8466 Ų6639%0.39337%0.369SS..  trans-69.8118.2176.9-171.6178.7171.100111.2L882 Q883 W884E880-L882 PolarHBondContact O-N 3.45Å; E880-Q883 HydrophobicContact CB-CB 4.07Å; E880-Q883 HydrophobicContact CG-CB 4.47Å; E880-Q883 WeakPolarHBondContact O-CB 3.26Å; E880-Q883 PolarHBondContact O-N 3.27Å; E880-Q883 VanDerWaalsContact O-N 3.12Å; E880-W884 PolarHBondContact O-N 3.24Å; E880-W884 VanDerWaalsContact O-N 3.1Å
881P88.6Confident82.6Confident4 Ų464.8 Ų64.83%0.02637%0.368CS..Hα-helixtrans-63.2-35.3-172.3-38.750.3000115.8D783 P784 V879 Q883 W884 W885D783-P881 VanDerWaalsContact OD1-CG 3.27Å; D783-P881 WeakPolarHBondContact OD1-CG 3.48Å; P784-P881 HydrophobicContact CG-CB 4.13Å; P784-P881 HydrophobicContact CG-CG 4.21Å; V879-P881 WeakPolarHBondContact O-CD 3.4Å; P881-Q883 VanDerWaalsContact C-N 3.3Å; P881-Q883 PolarHBondContact O-N 3.43Å; P881-W884 WeakPolarHBondContact O-CB 3.49Å; P881-W884 PolarHBondContact O-N 3.23Å; P881-W885 VanDerWaalsContact O-CD1 3.29Å; P881-W885 PolarHBondContact O-N 2.83Å
882L89.4Confident83Confident7 Ų760.8 Ų60.84%0.03734%0.335CS..Hα-helixtrans-66.2-36.2176.1-64.5-178.7000111.7I510 P517 E880 W884 W885 R886 M903I510-L882 HydrophobicContact CD1-CD2 3.51Å; I510-L882 HydrophobicContact CG1-CD2 4.4Å; P517-L882 HydrophobicContact CB-CD1 3.74Å; P517-L882 HydrophobicContact CG-CD1 3.58Å; E880-L882 PolarHBondContact O-N 3.45Å; L882-W884 VanDerWaalsContact C-N 3.35Å; L882-W885 PolarHBondContact O-N 3.02Å; L882-R886 WeakPolarHBondContact O-CB 3.41Å; L882-R886 PolarHBondContact O-N 3.34Å; L882-M903 HydrophobicContact CD2-CB 3.74Å; L882-M903 HydrophobicContact CD2-CG 4.46Å
883Q88.6Confident83.6Confident29 Ų2962.1 Ų62.114%0.13635%0.346CS..Hα-helixtrans-66.8-39.1175.1-168.6-175.1-8.700111.3L281 T283 E880 P881 R886 T887L281-Q883 VanDerWaalsContact CB-NE2 3.28Å; L281-Q883 PolarHBondContact O-NE2 2.68Å; T283-Q883 PolarHBondContact OG1-OE1 3.42Å; E880-Q883 HydrophobicContact CB-CB 4.07Å; E880-Q883 HydrophobicContact CG-CB 4.47Å; E880-Q883 WeakPolarHBondContact O-CB 3.26Å; E880-Q883 PolarHBondContact O-N 3.27Å; E880-Q883 VanDerWaalsContact O-N 3.12Å; P881-Q883 VanDerWaalsContact C-N 3.3Å; P881-Q883 PolarHBondContact O-N 3.43Å; Q883-R886 WeakPolarHBondContact O-CB 3.28Å; Q883-R886 PolarHBondContact O-N 3.46Å; Q883-T887 PolarHBondContact O-N 3.05Å
884W90.2Very high84.5Confident23 Ų2353.2 Ų53.29%0.08732%0.315CS..Hα-helixtrans-60.8-50.4173.8-172.793.3000111.1P784 F869 V879 E880 P881 L882 R886 T887 K888 F892P784-W884 HydrophobicContact CB-CB 4.49Å; P784-W884 HydrophobicContact CB-CD2 3.65Å; P784-W884 HydrophobicContact CB-CE3 4.1Å; P784-W884 HydrophobicContact CB-CG 3.82Å; P784-W884 HydrophobicContact CB-CZ2 4.37Å; P784-W884 HydrophobicContact CG-CB 3.86Å; P784-W884 HydrophobicContact CG-CD2 3.9Å; P784-W884 HydrophobicContact CG-CE3 4.24Å; P784-W884 HydrophobicContact CG-CG 3.73Å; F869-W884 HydrophobicContact CD2-CH2 4.22Å; F869-W884 AromaticContact CE2-CH2 3.79Å; F869-W884 HydrophobicContact CE2-CH2 3.79Å; F869-W884 HydrophobicContact CE2-CZ3 4.17Å; V879-W884 HydrophobicContact CG1-CB 4.41Å; E880-W884 PolarHBondContact O-N 3.24Å; E880-W884 VanDerWaalsContact O-N 3.1Å; P881-W884 WeakPolarHBondContact O-CB 3.49Å; P881-W884 PolarHBondContact O-N 3.23Å; L882-W884 VanDerWaalsContact C-N 3.35Å; W884-R886 VanDerWaalsContact C-N 3.34Å; W884-R886 PolarHBondContact O-N 3.25Å; W884-T887 PolarHBondContact O-N 3.15Å; W884-T887 PolarHBondContact O-OG1 3.13Å; W884-K888 HydrophobicContact CD2-CB 4.38Å; W884-K888 HydrophobicContact CD2-CG 3.91Å; W884-K888 HydrophobicContact CE3-CB 4.04Å; W884-K888 HydrophobicContact CE3-CG 4.08Å; W884-K888 HydrophobicContact CH2-CB 4.02Å; W884-K888 HydrophobicContact CH2-CD 4.42Å; W884-K888 HydrophobicContact CH2-CG 3.89Å; W884-K888 HydrophobicContact CZ2-CB 4.38Å; W884-K888 HydrophobicContact CZ2-CD 4.15Å; W884-K888 HydrophobicContact CZ2-CG 3.73Å; W884-K888 HydrophobicContact CZ3-CB 3.84Å; W884-K888 HydrophobicContact CZ3-CG 4.06Å; W884-K888 WeakPolarHBondContact O-CB 3.39Å; W884-K888 PolarHBondContact O-N 3.43Å; W884-F892 HydrophobicContact CH2-CD2 4.13Å; W884-F892 AromaticContact CH2-CE2 3.94Å; W884-F892 HydrophobicContact CH2-CE2 3.94Å
885W91.5Very high85.6Confident0 Ų051.5 Ų51.50%030%0.298CS..Hα-helixtrans-61.8-38.2177.6-81.7108000112.8F515 L782 F869 P881 L882 T887 K888 A889 F892 L895 A896 A899F515-W885 HydrophobicContact CD1-CB 3.75Å; F515-W885 HydrophobicContact CE1-CB 3.6Å; F515-W885 HydrophobicContact CE1-CG 4.31Å; F515-W885 HydrophobicContact CZ-CB 4.32Å; L782-W885 HydrophobicContact CB-CZ2 4.26Å; L782-W885 HydrophobicContact CD2-CH2 3.98Å; L782-W885 HydrophobicContact CD2-CZ2 3.59Å; L782-W885 PolarHBondContact O-NE1 3.46Å; F869-W885 HydrophobicContact CD2-CH2 4.44Å; F869-W885 AromaticContact CE2-CH2 3.93Å; F869-W885 HydrophobicContact CE2-CH2 3.93Å; F869-W885 HydrophobicContact CE2-CZ2 4.01Å; F869-W885 HydrophobicContact CZ-CZ2 4.39Å; P881-W885 VanDerWaalsContact O-CD1 3.29Å; P881-W885 PolarHBondContact O-N 2.83Å; L882-W885 PolarHBondContact O-N 3.02Å; W885-T887 PolarHBondContact O-N 3.44Å; W885-K888 CarbonylContact O-C 3.56Å; W885-K888 PolarHBondContact O-N 3.2Å; W885-K888 VanDerWaalsContact O-N 3.09Å; W885-A889 WeakPolarHBondContact O-CA 3.35Å; W885-A889 WeakPolarHBondContact O-CB 3.33Å; W885-A889 PolarHBondContact O-N 3.38Å; W885-F892 HydrophobicContact CZ3-CB 4Å; W885-L895 HydrophobicContact CH2-CB 3.72Å; W885-L895 HydrophobicContact CZ3-CB 4.06Å; W885-A896 HydrophobicContact CE3-CB 4.15Å; W885-A896 HydrophobicContact CZ3-CB 4.23Å; W885-A899 HydrophobicContact CD2-CB 3.55Å; W885-A899 VanDerWaalsContact CE2-CB 3.5Å; W885-A899 HydrophobicContact CE3-CB 3.95Å; W885-A899 HydrophobicContact CG-CB 3.97Å; W885-A899 HydrophobicContact CH2-CB 4.28Å; W885-A899 HydrophobicContact CZ2-CB 3.9Å; W885-A899 HydrophobicContact CZ3-CB 4.29Å
886R90.1Very high86.3Confident115 Ų11550.6 Ų50.643%0.43429%0.29SS..Hα-helixtrans-54.3-37173.1-177.1-176-80.1131.41.3112.5D514 F515 L882 Q883 W884D514-R886 PolarHBondContact O-NE 2.98Å; D514-R886 PolarHBondContact O-NH2 3.39Å; F515-R886 HydrophobicContact CB-CB 3.94Å; F515-R886 HydrophobicContact CB-CG 4.44Å; L882-R886 WeakPolarHBondContact O-CB 3.41Å; L882-R886 PolarHBondContact O-N 3.34Å; Q883-R886 WeakPolarHBondContact O-CB 3.28Å; Q883-R886 PolarHBondContact O-N 3.46Å; W884-R886 VanDerWaalsContact C-N 3.34Å; W884-R886 PolarHBondContact O-N 3.25Å
887T89.1Confident87Confident57 Ų5746.8 Ų46.835%0.3526%0.263SS..Hα-helixtrans-82.9-29.5178.164.90000113.6Q883 W884 W885Q883-T887 PolarHBondContact O-N 3.05Å; W884-T887 PolarHBondContact O-N 3.15Å; W884-T887 PolarHBondContact O-OG1 3.13Å; W885-T887 PolarHBondContact O-N 3.44Å
888K89.2Confident88.4Confident37 Ų3740 Ų4016%0.16123%0.228CC..Hα-helixtrans-100-9.9-172.2-71.2-75.8-172.8160.70114D872 W884 W885 T890 Q891 F892D872-K888 IonicContact OD2-NZ 3Å; D872-K888 PolarHBondContact OD2-NZ 3.45Å; W884-K888 HydrophobicContact CD2-CB 4.38Å; W884-K888 HydrophobicContact CD2-CG 3.91Å; W884-K888 HydrophobicContact CE3-CB 4.04Å; W884-K888 HydrophobicContact CE3-CG 4.08Å; W884-K888 HydrophobicContact CH2-CB 4.02Å; W884-K888 HydrophobicContact CH2-CD 4.42Å; W884-K888 HydrophobicContact CH2-CG 3.89Å; W884-K888 HydrophobicContact CZ2-CB 4.38Å; W884-K888 HydrophobicContact CZ2-CD 4.15Å; W884-K888 HydrophobicContact CZ2-CG 3.73Å; W884-K888 HydrophobicContact CZ3-CB 3.84Å; W884-K888 HydrophobicContact CZ3-CG 4.06Å; W884-K888 WeakPolarHBondContact O-CB 3.39Å; W884-K888 PolarHBondContact O-N 3.43Å; W885-K888 CarbonylContact O-C 3.56Å; W885-K888 PolarHBondContact O-N 3.2Å; W885-K888 VanDerWaalsContact O-N 3.09Å; K888-T890 PolarHBondContact O-N 3.27Å; K888-Q891 CarbonylContact O-C 3.46Å; K888-Q891 WeakPolarHBondContact O-CA 3.28Å; K888-Q891 WeakPolarHBondContact O-CB 3.21Å; K888-Q891 PolarHBondContact O-N 3.48Å; K888-F892 HydrophobicContact CB-CD2 3.97Å; K888-F892 HydrophobicContact CB-CE2 4.35Å; K888-F892 HydrophobicContact CD-CD2 4.38Å; K888-F892 HydrophobicContact CD-CE2 3.96Å; K888-F892 PolarHBondContact O-N 2.88Å
889A89.1Confident89.8Confident20 Ų2036.7 Ų36.717%0.16519%0.194CC..THydrogen-bonded Turntrans-61.3-29.1-177.400000113.7F515 W885 F892 P893 A896F515-A889 HydrophobicContact CD2-CB 4.19Å; F515-A889 HydrophobicContact CE2-CB 3.44Å; F515-A889 VanDerWaalsContact CE2-CB 3.44Å; F515-A889 HydrophobicContact CZ-CB 3.93Å; W885-A889 WeakPolarHBondContact O-CA 3.35Å; W885-A889 WeakPolarHBondContact O-CB 3.33Å; W885-A889 PolarHBondContact O-N 3.38Å; A889-F892 CarbonylContact O-C 3.56Å; A889-P893 VanDerWaalsContact O-CA 3.27Å; A889-P893 WeakPolarHBondContact O-CA 3.36Å; A889-A896 HydrophobicContact CB-CB 3.73Å
890T88.4Confident90.3Very high131 Ų13136 Ų3680%0.80419%0.186SC*.THydrogen-bonded Turntrans-74.2-29.1174530000112.7K888K888-T890 PolarHBondContact O-N 3.27Å
891Q89.1Confident90.6Very high90 Ų9032.2 Ų32.242%0.42117%0.168SC..THydrogen-bonded Turntrans-79.3-33.9175-174.7179.17.100111.4K888 P893K888-Q891 CarbonylContact O-C 3.46Å; K888-Q891 WeakPolarHBondContact O-CA 3.28Å; K888-Q891 WeakPolarHBondContact O-CB 3.21Å; K888-Q891 PolarHBondContact O-N 3.48Å; Q891-P893 VanDerWaalsContact C-CD 3.49Å
892F92.1Very high90.7Very high1 Ų133 Ų330%0.00417%0.171CC..  trans-127.265.8-174.3-56.3-51.7000111.2E865 V868 F869 W884 W885 K888 A889 L894 L895 A896E865-F892 VanDerWaalsContact CD-C 3.44Å; E865-F892 HydrophobicContact CG-CB 4.1Å; E865-F892 HydrophobicContact CG-CD1 3.62Å; E865-F892 HydrophobicContact CG-CG 4.32Å; E865-F892 WeakPolarHBondContact OE1-CA 3.37Å; E865-F892 WeakPolarHBondContact OE1-CB 3.47Å; E865-F892 VanDerWaalsContact OE1-O 3.11Å; V868-F892 HydrophobicContact CB-CE1 4.05Å; V868-F892 HydrophobicContact CG1-CE1 3.76Å; V868-F892 HydrophobicContact CG1-CZ 4.16Å; F869-F892 HydrophobicContact CB-CD1 4.41Å; F869-F892 HydrophobicContact CB-CE1 4.06Å; F869-F892 HydrophobicContact CB-CZ 4.3Å; F869-F892 HydrophobicContact CD2-CD2 4.18Å; F869-F892 HydrophobicContact CD2-CE2 4.08Å; F869-F892 HydrophobicContact CD2-CZ 4.35Å; W884-F892 HydrophobicContact CH2-CD2 4.13Å; W884-F892 AromaticContact CH2-CE2 3.94Å; W884-F892 HydrophobicContact CH2-CE2 3.94Å; W885-F892 HydrophobicContact CZ3-CB 4Å; K888-F892 HydrophobicContact CB-CD2 3.97Å; K888-F892 HydrophobicContact CB-CE2 4.35Å; K888-F892 HydrophobicContact CD-CD2 4.38Å; K888-F892 HydrophobicContact CD-CE2 3.96Å; K888-F892 PolarHBondContact O-N 2.88Å; A889-F892 CarbonylContact O-C 3.56Å; F892-L894 PolarHBondContact O-N 3.3Å; F892-L895 HydrophobicContact CB-CB 4.34Å; F892-A896 WeakPolarHBondContact O-CA 3.17Å; F892-A896 WeakPolarHBondContact O-CB 3.47Å; F892-A896 PolarHBondContact O-N 3.16Å
893P91.5Very high90.8Very high74 Ų7432.7 Ų32.748%0.48117%0.169SC..Hα-helixtrans-66.1-35.9-173.125.7-34.6000114E865 A889 Q891 S897E865-P893 WeakPolarHBondContact OE2-CD 3.44Å; A889-P893 VanDerWaalsContact O-CA 3.27Å; A889-P893 WeakPolarHBondContact O-CA 3.36Å; Q891-P893 VanDerWaalsContact C-CD 3.49Å; P893-S897 PolarHBondContact O-N 3.45Å
894L93.1Very high90.8Very high40 Ų4031.5 Ų31.521%0.20916%0.164CC..Hα-helixtrans-79.4-35.7-178-56173000111.4A812 V862 E865 F892 S897 V898A812-L894 HydrophobicContact CB-CD2 4.02Å; V862-L894 HydrophobicContact CB-CD1 4.43Å; V862-L894 HydrophobicContact CG2-CB 4.29Å; V862-L894 HydrophobicContact CG2-CD1 3.61Å; E865-L894 PolarHBondContact OE1-N 3.5Å; E865-L894 VanDerWaalsContact OE2-CB 3.23Å; E865-L894 WeakPolarHBondContact OE2-CB 3.32Å; E865-L894 WeakPolarHBondContact OE2-CG 3.45Å; E865-L894 PolarHBondContact OE2-N 2.96Å; F892-L894 PolarHBondContact O-N 3.3Å; L894-S897 PolarHBondContact O-OG 3.45Å; L894-V898 WeakPolarHBondContact O-CG2 3.43Å
895L93.9Very high90.8Very high0 Ų030.4 Ų30.40%016%0.16CC..Hα-helixtrans-76-28.4173-61.2175.8000111.4L804 A808 E865 M866 F869 W885 F892 S897 V898 A899L804-L895 HydrophobicContact CD1-CD2 4.09Å; L804-L895 HydrophobicContact CD2-CD2 4.23Å; L804-L895 HydrophobicContact CG-CD2 4.07Å; A808-L895 HydrophobicContact CB-CD2 4.12Å; E865-L895 HydrophobicContact CG-CD1 4.11Å; E865-L895 HydrophobicContact CG-CG 4.23Å; E865-L895 WeakPolarHBondContact OE1-CB 3.32Å; E865-L895 WeakPolarHBondContact OE1-CG 3.5Å; E865-L895 PolarHBondContact OE1-N 3.45Å; M866-L895 HydrophobicContact CG-CD1 4.49Å; M866-L895 HydrophobicContact CG-CD2 4.21Å; M866-L895 HydrophobicContact SD-CD1 3.91Å; M866-L895 HydrophobicContact SD-CD2 3.54Å; M866-L895 VanDerWaalsContact SD-CD2 3.54Å; M866-L895 HydrophobicContact SD-CG 4.34Å; F869-L895 HydrophobicContact CB-CD1 3.66Å; F869-L895 HydrophobicContact CD1-CD1 4.07Å; F869-L895 HydrophobicContact CD2-CD1 4.02Å; F869-L895 HydrophobicContact CG-CD1 3.65Å; W885-L895 HydrophobicContact CH2-CB 3.72Å; W885-L895 HydrophobicContact CZ3-CB 4.06Å; F892-L895 HydrophobicContact CB-CB 4.34Å; L895-S897 VanDerWaalsContact C-N 3.31Å; L895-S897 PolarHBondContact O-N 2.94Å; L895-V898 PolarHBondContact O-N 3.01Å; L895-A899 WeakPolarHBondContact O-CB 2.98Å; L895-A899 PolarHBondContact O-N 2.72Å
896A92.8Very high90.9Very high3 Ų330.5 Ų30.53%0.02516%0.161CC..Hα-helixtrans-63.2-34.4172.500000112.6F515 W885 A889 F892 A899 R900F515-A896 HydrophobicContact CE2-CB 4.42Å; F515-A896 HydrophobicContact CZ-CB 3.83Å; W885-A896 HydrophobicContact CE3-CB 4.15Å; W885-A896 HydrophobicContact CZ3-CB 4.23Å; A889-A896 HydrophobicContact CB-CB 3.73Å; F892-A896 WeakPolarHBondContact O-CA 3.17Å; F892-A896 WeakPolarHBondContact O-CB 3.47Å; F892-A896 PolarHBondContact O-N 3.16Å; A896-A899 PolarHBondContact O-N 2.92Å; A896-R900 WeakPolarHBondContact O-CG 3.25Å; A896-R900 PolarHBondContact O-N 3.27Å; A896-R900 PolarHBondContact O-NE 3.43Å
897S90.9Very high91Very high4 Ų425 Ų253%0.02814%0.14CC..Hα-helixtrans-66.5-42.5172.567.40000111.5I811 P893 L894 L895 A899 R900 V901I811-S897 WeakPolarHBondContact CG2-OG 3.18Å; P893-S897 PolarHBondContact O-N 3.45Å; L894-S897 PolarHBondContact O-OG 3.45Å; L895-S897 VanDerWaalsContact C-N 3.31Å; L895-S897 PolarHBondContact O-N 2.94Å; S897-A899 VanDerWaalsContact C-N 3.35Å; S897-A899 PolarHBondContact O-N 2.97Å; S897-R900 PolarHBondContact O-N 3.24Å; S897-V901 PolarHBondContact O-N 3.36Å
898V92.9Very high91.2Very high0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-62.9-42.3172.8-163.50000111.3V778 L782 L804 E807 A808 I811 L894 L895 R900 V901 Y902V778-V898 HydrophobicContact CG1-CG1 4.21Å; L782-V898 HydrophobicContact CD1-CB 4.17Å; L782-V898 HydrophobicContact CD1-CG1 3.72Å; L804-V898 HydrophobicContact CD1-CB 4.39Å; L804-V898 HydrophobicContact CD1-CG1 4Å; E807-V898 HydrophobicContact CB-CG1 4.35Å; E807-V898 HydrophobicContact CG-CG1 3.79Å; A808-V898 VanDerWaalsContact CA-CG2 3.44Å; A808-V898 HydrophobicContact CB-CG2 3.69Å; I811-V898 HydrophobicContact CD1-CB 4.34Å; I811-V898 HydrophobicContact CD1-CG1 4.31Å; I811-V898 HydrophobicContact CD1-CG2 4.12Å; L894-V898 WeakPolarHBondContact O-CG2 3.43Å; L895-V898 PolarHBondContact O-N 3.01Å; V898-R900 VanDerWaalsContact C-N 3.3Å; V898-R900 PolarHBondContact O-N 3.43Å; V898-V901 WeakPolarHBondContact O-CB 3.38Å; V898-V901 PolarHBondContact O-N 3.01Å; V898-V901 VanDerWaalsContact O-N 3.1Å; V898-Y902 HydrophobicContact CG1-CD2 3.62Å; V898-Y902 HydrophobicContact CG1-CE2 3.77Å; V898-Y902 WeakPolarHBondContact O-CD2 3.47Å; V898-Y902 PolarHBondContact O-N 3.06Å
899A92.9Very high91.1Very high0 Ų020.8 Ų20.80%012%0.118CC..Hα-helixtrans-59.4-40.717800000111.7L782 W885 L895 A896 S897 V901 Y902 M903L782-A899 HydrophobicContact CD2-CB 4.38Å; W885-A899 HydrophobicContact CD2-CB 3.55Å; W885-A899 VanDerWaalsContact CE2-CB 3.5Å; W885-A899 HydrophobicContact CE3-CB 3.95Å; W885-A899 HydrophobicContact CG-CB 3.97Å; W885-A899 HydrophobicContact CH2-CB 4.28Å; W885-A899 HydrophobicContact CZ2-CB 3.9Å; W885-A899 HydrophobicContact CZ3-CB 4.29Å; L895-A899 WeakPolarHBondContact O-CB 2.98Å; L895-A899 PolarHBondContact O-N 2.72Å; A896-A899 PolarHBondContact O-N 2.92Å; S897-A899 VanDerWaalsContact C-N 3.35Å; S897-A899 PolarHBondContact O-N 2.97Å; A899-V901 VanDerWaalsContact C-N 3.27Å; A899-V901 PolarHBondContact O-N 3.09Å; A899-Y902 PolarHBondContact O-N 3.43Å; A899-M903 HydrophobicContact CB-CG 4.49Å; A899-M903 WeakPolarHBondContact O-CB 3.47Å; A899-M903 VanDerWaalsContact O-CG 3.31Å; A899-M903 WeakPolarHBondContact O-CG 3.3Å; A899-M903 PolarHBondContact O-N 3.43Å
900R90.2Very high90.8Very high37 Ų3720.8 Ų20.814%0.1412%0.12CC..Hα-helixtrans-58.5-37.3175.2-77.8-179-83.6143.5-5.3112.6I510 D512 F515 A896 S897 V898 A904I510-R900 HydrophobicContact CB-CB 4.43Å; I510-R900 HydrophobicContact CB-CG 4.27Å; I510-R900 HydrophobicContact CG2-CG 3.96Å; D512-R900 WeakPolarHBondContact OD1-CD 3.23Å; D512-R900 IonicContact OD1-CZ 3.63Å; D512-R900 IonicContact OD1-NE 3.93Å; D512-R900 IonicContact OD1-NH1 2.75Å; D512-R900 PolarHBondContact OD1-NH1 3.08Å; D512-R900 IonicContact OD2-NH1 2.9Å; D512-R900 PolarHBondContact OD2-NH1 3.11Å; F515-R900 HydrophobicContact CD1-CG 4.39Å; F515-R900 HydrophobicContact CE1-CG 3.71Å; F515-R900 HydrophobicContact CE2-CG 4.31Å; F515-R900 HydrophobicContact CZ-CG 3.66Å; A896-R900 WeakPolarHBondContact O-CG 3.25Å; A896-R900 PolarHBondContact O-N 3.27Å; A896-R900 PolarHBondContact O-NE 3.43Å; S897-R900 PolarHBondContact O-N 3.24Å; V898-R900 VanDerWaalsContact C-N 3.3Å; V898-R900 PolarHBondContact O-N 3.43Å; R900-A904 WeakPolarHBondContact O-CB 3.5Å
901V88.8Confident90.2Very high4 Ų415.3 Ų15.32%0.0249%0.085CC..Hα-helixtrans-70.8-57.2176.7177.30000111.3F483 N557 I811 S897 V898 A899F483-V901 HydrophobicContact CB-CG2 3.8Å; F483-V901 HydrophobicContact CD1-CG2 3.56Å; F483-V901 HydrophobicContact CD2-CG2 4Å; F483-V901 HydrophobicContact CE1-CG2 4.16Å; F483-V901 HydrophobicContact CG-CG2 3.47Å; F483-V901 VanDerWaalsContact CG-CG2 3.47Å; N557-V901 HydrophobicContact CB-CG1 3.54Å; I811-V901 HydrophobicContact CD1-CG2 3.9Å; S897-V901 PolarHBondContact O-N 3.36Å; V898-V901 WeakPolarHBondContact O-CB 3.38Å; V898-V901 PolarHBondContact O-N 3.01Å; V898-V901 VanDerWaalsContact O-N 3.1Å; A899-V901 VanDerWaalsContact C-N 3.27Å; A899-V901 PolarHBondContact O-N 3.09Å
902Y91.9Very high89.7Confident20 Ų2012.1 Ų12.18%0.0787%0.074CC..Hα-helixtrans-82.4-25-167.5-74.1-99.7000113.6V775 V778 A779 L782 E807 V898 A899 A905V775-Y902 HydrophobicContact CB-CE1 4.23Å; V775-Y902 HydrophobicContact CG1-CD1 4.1Å; V775-Y902 HydrophobicContact CG1-CE1 3.85Å; V775-Y902 HydrophobicContact CG2-CE1 4.26Å; V778-Y902 HydrophobicContact CB-CD1 4.21Å; V778-Y902 HydrophobicContact CB-CE1 3.94Å; V778-Y902 HydrophobicContact CG1-CD1 3.92Å; V778-Y902 HydrophobicContact CG1-CD2 4.05Å; V778-Y902 HydrophobicContact CG1-CE1 3.8Å; V778-Y902 HydrophobicContact CG1-CE2 3.97Å; V778-Y902 HydrophobicContact CG1-CG 4.04Å; A779-Y902 HydrophobicContact CB-CD1 4.08Å; L782-Y902 HydrophobicContact CD1-CD2 4.48Å; L782-Y902 HydrophobicContact CD1-CG 4.43Å; E807-Y902 HydrophobicContact CG-CE2 3.65Å; E807-Y902 WeakPolarHBondContact OE1-CE2 3.43Å; E807-Y902 PolarHBondContact OE1-OH 3.2Å; V898-Y902 HydrophobicContact CG1-CD2 3.62Å; V898-Y902 HydrophobicContact CG1-CE2 3.77Å; V898-Y902 WeakPolarHBondContact O-CD2 3.47Å; V898-Y902 PolarHBondContact O-N 3.06Å; A899-Y902 PolarHBondContact O-N 3.43Å; Y902-A905 WeakPolarHBondContact O-CB 3.19Å; Y902-A905 PolarHBondContact O-N 3.24Å
903M89.8Confident89.2Confident1 Ų112.5 Ų12.51%0.0058%0.077CC..Hα-helixtrans-82.4-19.6174.5-63.6-71.515900112.6I510 F723 A779 L782 D783 L882 A899I510-M903 HydrophobicContact CD1-CB 3.74Å; F723-M903 WeakPolarHBondContact CE1-O 3.37Å; A779-M903 VanDerWaalsContact O-CE 3.23Å; A779-M903 WeakPolarHBondContact O-CE 3.41Å; L782-M903 HydrophobicContact CB-CE 3.45Å; L782-M903 VanDerWaalsContact CB-CE 3.45Å; L782-M903 WeakPolarHBondContact O-CE 3.32Å; D783-M903 HydrophobicContact CB-CE 4.03Å; D783-M903 VanDerWaalsContact N-CE 3.32Å; L882-M903 HydrophobicContact CD2-CB 3.74Å; L882-M903 HydrophobicContact CD2-CG 4.46Å; A899-M903 HydrophobicContact CB-CG 4.49Å; A899-M903 WeakPolarHBondContact O-CB 3.47Å; A899-M903 VanDerWaalsContact O-CG 3.31Å; A899-M903 WeakPolarHBondContact O-CG 3.3Å; A899-M903 PolarHBondContact O-N 3.43Å
904A89.7Confident88.6Confident4 Ų413.3 Ų13.33%0.0338%0.075CC..SBendtrans-73.3-15.6168.700000111.9H508 I510 F723 R900 P906H508-A904 WeakPolarHBondContact CB-O 3.39Å; I510-A904 HydrophobicContact CD1-CB 3.98Å; I510-A904 HydrophobicContact CG1-CB 3.92Å; F723-A904 VanDerWaalsContact CZ-O 3.28Å; F723-A904 WeakPolarHBondContact CZ-O 3.35Å; R900-A904 WeakPolarHBondContact O-CB 3.5Å; A904-P906 WeakPolarHBondContact O-CD 3.42Å
905A91Very high87.8Confident0 Ų013.2 Ų13.20%07%0.074CC..  trans-75.9123.7179.700000111.6T485 L558 L726 Y902T485-A905 HydrophobicContact CG2-CB 3.99Å; L558-A905 HydrophobicContact CD2-CB 3.53Å; L726-A905 HydrophobicContact CB-CB 3.92Å; L726-A905 WeakPolarHBondContact CB-O 3.31Å; L726-A905 HydrophobicContact CD2-CB 3.73Å; L726-A905 HydrophobicContact CG-CB 4.47Å; L726-A905 PolarHBondContact N-O 2.79Å; Y902-A905 WeakPolarHBondContact O-CB 3.19Å; Y902-A905 PolarHBondContact O-N 3.24Å
906P92.6Very high87Confident2 Ų213.8 Ų13.81%0.0138%0.077CC..BIsolated β-bridgetrans-75160.517431.8-34.2000110.9L560 F723 P724 A904 V908L560-P906 HydrophobicContact CD1-CG 4.47Å; L560-P906 WeakPolarHBondContact CD1-O 3.39Å; F723-P906 HydrophobicContact CE2-CB 3.84Å; F723-P906 HydrophobicContact CZ-CB 3.73Å; F723-P906 HydrophobicContact CZ-CG 4.44Å; P724-P906 CarbonylContact O-C 3.57Å; P724-P906 VanDerWaalsContact O-CA 3.27Å; P724-P906 WeakPolarHBondContact O-CA 3.36Å; A904-P906 WeakPolarHBondContact O-CD 3.42Å; P906-V908 WeakPolarHBondContact CB-O 3.36Å
907A93.1Very high86.1Confident1 Ų116.2 Ų16.21%0.00810%0.097CC..SBendtrans-88.5-18.2167.900000112.7F592 L718 P724 R725 I729F592-A907 WeakPolarHBondContact CB-O 3.39Å; F592-A907 PolarHBondContact N-O 2.61Å; F592-A907 VanDerWaalsContact N-O 3.08Å; L718-A907 HydrophobicContact CD2-CB 4.24Å; P724-A907 HydrophobicContact CB-CB 4.21Å; P724-A907 PolarHBondContact O-N 3.13Å; R725-A907 WeakPolarHBondContact O-CB 3.45Å; I729-A907 HydrophobicContact CD1-CB 3.66Å; I729-A907 HydrophobicContact CG1-CB 3.72Å
908V91.6Very high84.9Confident4 Ų420.4 Ų20.42%0.02412%0.117CC..SBendtrans-136.5135.7-171-179.50000108.9F593 P724 P906 A912 A913F593-V908 HydrophobicContact CB-CG1 4.2Å; F593-V908 HydrophobicContact CD1-CG1 4.33Å; F593-V908 HydrophobicContact CD1-CG2 3.58Å; F593-V908 HydrophobicContact CD2-CG1 3.8Å; F593-V908 HydrophobicContact CD2-CG2 4.4Å; F593-V908 HydrophobicContact CE1-CG2 3.64Å; F593-V908 HydrophobicContact CE2-CG1 4.23Å; F593-V908 HydrophobicContact CE2-CG2 4.46Å; F593-V908 HydrophobicContact CG-CG1 3.85Å; F593-V908 HydrophobicContact CG-CG2 3.98Å; F593-V908 HydrophobicContact CZ-CG2 4.1Å; P724-V908 HydrophobicContact CB-CB 4.46Å; P724-V908 HydrophobicContact CB-CG2 4.15Å; P724-V908 HydrophobicContact CG-CB 4.44Å; P724-V908 HydrophobicContact CG-CG2 4.48Å; P906-V908 WeakPolarHBondContact CB-O 3.36Å; V908-A912 HydrophobicContact CG1-CB 3.59Å; V908-A913 HydrophobicContact CG1-CB 4.26Å
909A88.1Confident83.1Confident1 Ų124.3 Ų24.31%0.00814%0.135CC..  trans-70.5134.9-178.500000112.3V488 D489 L560 C591 N911 A912V488-A909 WeakPolarHBondContact O-CB 3.41Å; D489-A909 HydrophobicContact CB-CB 4.46Å; L560-A909 HydrophobicContact CD2-CB 3.58Å; C591-A909 HydrophobicContact CB-CB 4.34Å; C591-A909 PolarHBondContact SG-N 3.07Å; C591-A909 VanDerWaalsContact SG-N 3.38Å; A909-N911 PolarHBondContact O-N 3.46Å; A909-A912 WeakPolarHBondContact O-CB 3.4Å; A909-A912 PolarHBondContact O-N 3.28Å; A909-A912 VanDerWaalsContact O-N 3.13Å
910G81.8Confident80.9Confident20 Ų2025.7 Ų25.721%0.20615%0.149CC..THydrogen-bonded Turntrans49.3-120.917200000114S487S487-G910 PolarHBondContact OG-N 3.02Å
911N76.8Confident78.4Confident16 Ų1628.1 Ų28.19%0.08617%0.17CC..THydrogen-bonded Turntrans-101.49.9-177.5-76.4-31.1000114.5W506 A909 A913 Q914 D915 H945W506-N911 WeakPolarHBondContact CH2-ND2 3.42Å; A909-N911 PolarHBondContact O-N 3.46Å; N911-A913 PolarHBondContact O-N 3Å; N911-Q914 WeakPolarHBondContact O-CB 3.32Å; N911-Q914 PolarHBondContact O-N 3.33Å; N911-D915 PolarHBondContact O-N 2.84Å; N911-H945 PolarHBondContact ND2-CD2 2.75Å; N911-H945 PolarHBondContact ND2-NE2 3.02Å
912A79.5Confident76.1Confident23 Ų2329.6 Ų29.619%0.1919%0.186CC..Hα-helixtrans-58.9-28.3-175.200000113F593 V908 A909 F916F593-A912 HydrophobicContact CD2-CB 4.24Å; V908-A912 HydrophobicContact CG1-CB 3.59Å; A909-A912 WeakPolarHBondContact O-CB 3.4Å; A909-A912 PolarHBondContact O-N 3.28Å; A909-A912 VanDerWaalsContact O-N 3.13Å; A912-F916 VanDerWaalsContact O-CB 3.31Å; A912-F916 WeakPolarHBondContact O-CB 3.17Å; A912-F916 PolarHBondContact O-N 3.04Å
913A81.4Confident74Confident8 Ų837 Ų377%0.06621%0.214CC..Hα-helixtrans-64-45.317100000113.3F593 P724 V908 N911 F916 A917F593-A913 HydrophobicContact CE2-CB 4.44Å; P724-A913 HydrophobicContact CG-CB 3.57Å; V908-A913 HydrophobicContact CG1-CB 4.26Å; N911-A913 PolarHBondContact O-N 3Å; A913-F916 PolarHBondContact O-N 2.67Å; A913-A917 PolarHBondContact O-N 2.82Å; A913-A917 VanDerWaalsContact O-N 3.07Å
914Q78.3Confident72.3Confident92 Ų9240.3 Ų40.343%0.4323%0.234SC..Hα-helixtrans-67.9-40.6177.5-63.9179.41000111.1N911 F916 A917 Q918N911-Q914 WeakPolarHBondContact O-CB 3.32Å; N911-Q914 PolarHBondContact O-N 3.33Å; Q914-F916 VanDerWaalsContact C-N 3.28Å; Q914-F916 PolarHBondContact O-N 3.41Å; Q914-A917 PolarHBondContact O-N 3.09Å; Q914-Q918 WeakPolarHBondContact O-CG 3.4Å; Q914-Q918 PolarHBondContact O-N 2.83Å
915D75.1Confident70.7Confident37 Ų3741 Ų4120%0.19824%0.238CC..Hα-helixtrans-62.6-37.3177.4-67.2-21.4000111.8N911 T925N911-D915 PolarHBondContact O-N 2.84Å; D915-T925 WeakPolarHBondContact OD1-CB 3.27Å; D915-T925 WeakPolarHBondContact OD1-CG2 3.35Å; D915-T925 PolarHBondContact OD1-OG1 2.93Å; D915-T925 PolarHBondContact OD2-OG1 2.98Å
916F78.8Confident69.3Low12 Ų1244.8 Ų44.85%0.05326%0.258CS..Hα-helixtrans-69.9-36.8174.7-169.2-85.1000112.4F593 W663 N664 C715 R716 A719 A912 A913 Q914F593-F916 HydrophobicContact CD2-CB 4.19Å; F593-F916 HydrophobicContact CD2-CD2 4.39Å; F593-F916 HydrophobicContact CD2-CG 4.44Å; F593-F916 HydrophobicContact CE2-CB 3.49Å; F593-F916 VanDerWaalsContact CE2-CB 3.49Å; F593-F916 HydrophobicContact CE2-CD1 4.36Å; F593-F916 HydrophobicContact CE2-CD2 4.07Å; F593-F916 AromaticContact CE2-CG 3.73Å; F593-F916 HydrophobicContact CE2-CG 3.73Å; F593-F916 HydrophobicContact CZ-CB 4.35Å; F593-F916 HydrophobicContact CZ-CG 4.28Å; W663-F916 HydrophobicContact CE3-CE2 4.43Å; W663-F916 AromaticContact CH2-CD2 3.58Å; W663-F916 HydrophobicContact CH2-CD2 3.58Å; W663-F916 AromaticContact CH2-CE2 3.51Å; W663-F916 HydrophobicContact CH2-CE2 3.51Å; W663-F916 HydrophobicContact CZ2-CD2 4.14Å; W663-F916 HydrophobicContact CZ2-CE2 4.36Å; W663-F916 HydrophobicContact CZ3-CD2 4.12Å; W663-F916 AromaticContact CZ3-CE2 3.56Å; W663-F916 HydrophobicContact CZ3-CE2 3.56Å; N664-F916 HydrophobicContact CB-CD2 3.68Å; N664-F916 HydrophobicContact CB-CE2 3.45Å; N664-F916 VanDerWaalsContact CB-CE2 3.45Å; N664-F916 HydrophobicContact CB-CZ 4.45Å; C715-F916 HydrophobicContact CB-CD1 4.44Å; C715-F916 HydrophobicContact CB-CE1 3.78Å; C715-F916 HydrophobicContact CB-CE2 3.91Å; C715-F916 HydrophobicContact CB-CZ 3.49Å; C715-F916 VanDerWaalsContact CB-CZ 3.49Å; R716-F916 HydrophobicContact CG-CE1 3.67Å; R716-F916 HydrophobicContact CG-CZ 4.44Å; A719-F916 HydrophobicContact CB-CB 4.48Å; A719-F916 HydrophobicContact CB-CD1 3.86Å; A912-F916 VanDerWaalsContact O-CB 3.31Å; A912-F916 WeakPolarHBondContact O-CB 3.17Å; A912-F916 PolarHBondContact O-N 3.04Å; A913-F916 PolarHBondContact O-N 2.67Å; Q914-F916 VanDerWaalsContact C-N 3.28Å; Q914-F916 PolarHBondContact O-N 3.41Å
917A73.2Confident68Low55 Ų5552.5 Ų52.546%0.45529%0.287SS..Hα-helixtrans-73.9-31.3-179.900000113.7A719 A913 Q914 E919A719-A917 HydrophobicContact CB-CB 4.29Å; A913-A917 PolarHBondContact O-N 2.82Å; A913-A917 VanDerWaalsContact O-N 3.07Å; Q914-A917 PolarHBondContact O-N 3.09Å; A917-E919 VanDerWaalsContact C-N 3.31Å; A917-E919 PolarHBondContact O-N 3.26Å
918Q66.3Low67.1Low92 Ų9255.9 Ų55.943%0.4330%0.302SS..  trans-77.375.5-179.3-69.1-17626.300111.7Q914 G920Q914-Q918 WeakPolarHBondContact O-CG 3.4Å; Q914-Q918 PolarHBondContact O-N 2.83Å; Q918-G920 PolarHBondContact O-N 3.17Å; Q918-G920 VanDerWaalsContact O-N 3.13Å
919E54.4Low66.5Low81 Ų8155.7 Ų55.738%0.37930%0.301SS..  trans-70.5101.2177.2-61.7-165.9150.400112.4R716 A917R716-E919 IonicContact CZ-OE1 2.62Å; R716-E919 IonicContact NH1-OE1 2.93Å; R716-E919 PolarHBondContact NH1-OE1 2.95Å; R716-E919 IonicContact NH2-OE1 3.78Å; R716-E919 PolarHBondContact NH2-OE1 3.22Å; A917-E919 VanDerWaalsContact C-N 3.31Å; A917-E919 PolarHBondContact O-N 3.26Å
920G46.8Very low66Low30 Ų3057.5 Ų57.531%0.30931%0.313SS..SBendtrans-179.7145.6168.500000115.9Q918 G922 R923Q918-G920 PolarHBondContact O-N 3.17Å; Q918-G920 VanDerWaalsContact O-N 3.13Å; G920-G922 PolarHBondContact O-N 2.86Å; G920-R923 PolarHBondContact O-N 3.18Å
921P36.5Very low66Low87 Ų8759.3 Ų59.357%0.56532%0.32SS*.THydrogen-bonded Turntrans-64.5124.1173.8-8.321.3000110.3D651D651-P921 HydrophobicContact CB-CG 3.49Å; D651-P921 VanDerWaalsContact CB-CG 3.49Å
922G41Very low66.6Low36 Ų3658.5 Ų58.537%0.37132%0.316SS..THydrogen-bonded Turntrans91.15.8175.800000116G920G920-G922 PolarHBondContact O-N 2.86Å
923R48.5Very low67Low174 Ų17457.7 Ų57.766%0.65731%0.309SS*.  trans-109.82.6173.8-72.6-174.5178.1-176.1-1.9114.9G920 T925G920-R923 PolarHBondContact O-N 3.18Å; R923-T925 PolarHBondContact O-N 3Å; R923-T925 VanDerWaalsContact O-N 3.13Å
924T53.3Low67.3Low72 Ų7259.4 Ų59.444%0.44232%0.319SS..  trans-60.3119.2173.746.30000109.5N926 R927 K928T924-N926 PolarHBondContact O-N 3.01Å; T924-N926 VanDerWaalsContact O-N 3.17Å; T924-R927 WeakPolarHBondContact O-CB 3.48Å; T924-R927 PolarHBondContact O-N 2.89Å; T924-K928 PolarHBondContact O-N 3.41Å
925T56.9Low67.8Low19 Ų1962.1 Ų62.112%0.11733%0.332CS..Hα-helixtrans-48.2-39.2173.749.60000111.1D915 R923 R927 K928 R929D915-T925 WeakPolarHBondContact OD1-CB 3.27Å; D915-T925 WeakPolarHBondContact OD1-CG2 3.35Å; D915-T925 PolarHBondContact OD1-OG1 2.93Å; D915-T925 PolarHBondContact OD2-OG1 2.98Å; R923-T925 PolarHBondContact O-N 3Å; R923-T925 VanDerWaalsContact O-N 3.13Å; T925-R927 VanDerWaalsContact C-N 3.31Å; T925-R927 PolarHBondContact O-N 3.05Å; T925-K928 CarbonylContact O-C 3.58Å; T925-K928 PolarHBondContact O-N 2.85Å; T925-R929 VanDerWaalsContact O-CG 3.3Å; T925-R929 WeakPolarHBondContact O-CG 3.33Å; T925-R929 PolarHBondContact O-N 3.39Å
926N60.9Low68.5Low78 Ų7860.6 Ų60.642%0.41732%0.324SS..Hα-helixtrans-52.7-42.9172.7-75.3-15.3000113.5T924 K928 R929 S930T924-N926 PolarHBondContact O-N 3.01Å; T924-N926 VanDerWaalsContact O-N 3.17Å; N926-K928 PolarHBondContact O-N 3.33Å; N926-R929 PolarHBondContact O-N 3.44Å; N926-S930 PolarHBondContact O-N 2.72Å; N926-S930 PolarHBondContact O-OG 3.09Å
927R65.8Low69Low164 Ų16460 Ų6062%0.61932%0.321SS*.Hα-helixtrans-67-36.9177.3-174.9178.6177.1-175-2.1111.9T924 T925T924-R927 WeakPolarHBondContact O-CB 3.48Å; T924-R927 PolarHBondContact O-N 2.89Å; T925-R927 VanDerWaalsContact C-N 3.31Å; T925-R927 PolarHBondContact O-N 3.05Å
928K74.6Confident70Confident72 Ų7259 Ų5931%0.31331%0.309SS..Hα-helixtrans-69.7-43175.5-63.7-174.6176.2-173.90111.1L428 T924 T925 N926 S930 T931L428-K928 HydrophobicContact CB-CB 3.87Å; L428-K928 HydrophobicContact CB-CD 4.29Å; L428-K928 HydrophobicContact CD1-CB 4.23Å; L428-K928 HydrophobicContact CD1-CD 4.47Å; T924-K928 PolarHBondContact O-N 3.41Å; T925-K928 CarbonylContact O-C 3.58Å; T925-K928 PolarHBondContact O-N 2.85Å; N926-K928 PolarHBondContact O-N 3.33Å; K928-S930 VanDerWaalsContact C-N 3.29Å; K928-S930 PolarHBondContact O-N 2.84Å; K928-T931 WeakPolarHBondContact O-CB 3.3Å; K928-T931 PolarHBondContact O-N 3.03Å; K928-T931 PolarHBondContact O-OG1 2.67Å
929R79.3Confident71.2Confident1 Ų155.3 Ų55.30%0.00429%0.294CS..Hα-helixtrans-55.2-42.3173.2-69.4175.3-172.6-179.22.9111.5D489 W491 H493 T925 N926 T931 I932 L941D489-R929 IonicContact OD2-NH1 2.83Å; D489-R929 PolarHBondContact OD2-NH1 3.31Å; D489-R929 IonicContact OD2-NH2 3.97Å; W491-R929 HydrophobicContact CH2-CB 3.99Å; W491-R929 HydrophobicContact CH2-CG 4.26Å; W491-R929 HydrophobicContact CZ3-CB 3.82Å; W491-R929 HydrophobicContact CZ3-CG 4.36Å; H493-R929 PolarHBondContact CE1-O 2.99Å; H493-R929 VanDerWaalsContact CE1-O 3.23Å; H493-R929 PolarHBondContact ND1-O 3.43Å; T925-R929 VanDerWaalsContact O-CG 3.3Å; T925-R929 WeakPolarHBondContact O-CG 3.33Å; T925-R929 PolarHBondContact O-N 3.39Å; N926-R929 PolarHBondContact O-N 3.44Å; R929-T931 PolarHBondContact O-N 3.3Å; R929-T931 VanDerWaalsContact O-N 3.1Å; R929-I932 PolarHBondContact O-N 3.09Å; R929-I932 VanDerWaalsContact O-N 3.1Å; R929-L941 HydrophobicContact CG-CD2 4.03Å
930S77.5Confident73Confident38 Ų3851.5 Ų51.527%0.26628%0.276SS..THydrogen-bonded Turntrans-62.8-13.1175.9-54.40000114.7N926 K928N926-S930 PolarHBondContact O-N 2.72Å; N926-S930 PolarHBondContact O-OG 3.09Å; K928-S930 VanDerWaalsContact C-N 3.29Å; K928-S930 PolarHBondContact O-N 2.84Å
931T81.7Confident75.2Confident58 Ų5850 Ų5036%0.35626%0.261SS..THydrogen-bonded Turntrans-91.2-8.1176.268.70000113.5S430 W495 K928 R929S430-T931 VanDerWaalsContact CB-O 3.24Å; S430-T931 WeakPolarHBondContact CB-O 3.35Å; W495-T931 VanDerWaalsContact CZ3-C 3.5Å; W495-T931 WeakPolarHBondContact CZ3-O 3.49Å; K928-T931 WeakPolarHBondContact O-CB 3.3Å; K928-T931 PolarHBondContact O-N 3.03Å; K928-T931 PolarHBondContact O-OG1 2.67Å; R929-T931 PolarHBondContact O-N 3.3Å; R929-T931 VanDerWaalsContact O-N 3.1Å
932I87.9Confident77.8Confident0 Ų046 Ų460%023%0.234CC..SBendtrans-93.8133-177.2-59.9168.1000109L428 H493 R929 L937 I940L428-I932 HydrophobicContact CB-CD1 4.1Å; L428-I932 HydrophobicContact CD2-CD1 4.19Å; H493-I932 PolarHBondContact CE1-O 3.46Å; H493-I932 PolarHBondContact NE2-O 3.45Å; R929-I932 PolarHBondContact O-N 3.09Å; R929-I932 VanDerWaalsContact O-N 3.1Å; I932-L937 HydrophobicContact CB-CD1 3.83Å; I932-L937 HydrophobicContact CD1-CD1 4.38Å; I932-L937 HydrophobicContact CG2-CB 4.3Å; I932-L937 HydrophobicContact CG2-CD1 3.84Å; I932-I940 HydrophobicContact CD1-CB 4.42Å; I932-I940 HydrophobicContact CD1-CG2 3.76Å; I932-I940 HydrophobicContact CG2-CD1 3.76Å
933P88.5Confident80.3Confident6 Ų644.3 Ų44.34%0.03922%0.217CC..  trans-69.814717729.2-35.9000111.7W495 E935 S936 L937W495-P933 HydrophobicContact CH2-CB 4.13Å; W495-P933 HydrophobicContact CZ2-CB 3.77Å; P933-E935 WeakPolarHBondContact CB-OE2 3.43Å; P933-E935 PolarHBondContact O-N 3.08Å; P933-E935 VanDerWaalsContact O-N 3.11Å; P933-S936 PolarHBondContact O-N 3.15Å; P933-L937 PolarHBondContact O-N 3.35Å
934P88.4Confident82.3Confident43 Ų4338.5 Ų38.528%0.27920%0.197SC..Hα-helixtrans-51.6-37.2-176.6-30.236.5000114.9W495 S936 L937W495-P934 HydrophobicContact CG-CG 4.4Å; P934-S936 PolarHBondContact O-N 2.92Å; P934-L937 WeakPolarHBondContact O-CB 3.32Å; P934-L937 PolarHBondContact O-N 3.21Å
935E88.1Confident84Confident149 Ų14936.2 Ų36.270%0.69618%0.181SC*.Hα-helixtrans-68.6-23-176.3-53.678.8-172.100113P933P933-E935 WeakPolarHBondContact CB-OE2 3.43Å; P933-E935 PolarHBondContact O-N 3.08Å; P933-E935 VanDerWaalsContact O-N 3.11Å
936S89.1Confident85.5Confident5 Ų536.3 Ų36.34%0.03518%0.181CC..Hα-helixtrans-108.5-3.4-179.2-50.80000112.9Q460 P933 P934 I940Q460-S936 WeakPolarHBondContact CG-OG 3.36Å; Q460-S936 PolarHBondContact NE2-OG 2.98Å; P933-S936 PolarHBondContact O-N 3.15Å; P934-S936 PolarHBondContact O-N 2.92Å; S936-I940 WeakPolarHBondContact O-CB 3.34Å; S936-I940 WeakPolarHBondContact O-CG1 3.45Å; S936-I940 PolarHBondContact O-N 3.34Å
937L91Very high86.6Confident0 Ų043.1 Ų43.10%020%0.201CC..Hα-helixtrans-65-51.7-168.5-17264.5000112W491 Y502 I932 P933 P934 A939 L941W491-L937 HydrophobicContact CH2-CD1 4.1Å; W491-L937 HydrophobicContact CH2-CD2 3.81Å; W491-L937 HydrophobicContact CH2-CG 4.29Å; W491-L937 HydrophobicContact CZ2-CD2 4.32Å; Y502-L937 HydrophobicContact CD1-CD2 3.8Å; Y502-L937 HydrophobicContact CE1-CD2 3.68Å; Y502-L937 HydrophobicContact CG-CD2 4.29Å; I932-L937 HydrophobicContact CB-CD1 3.83Å; I932-L937 HydrophobicContact CD1-CD1 4.38Å; I932-L937 HydrophobicContact CG2-CB 4.3Å; I932-L937 HydrophobicContact CG2-CD1 3.84Å; P933-L937 PolarHBondContact O-N 3.35Å; P934-L937 WeakPolarHBondContact O-CB 3.32Å; P934-L937 PolarHBondContact O-N 3.21Å; L937-A939 PolarHBondContact O-N 3.43Å; L937-L941 HydrophobicContact CD1-CD1 3.84Å; L937-L941 HydrophobicContact CD1-CG 4.28Å; L937-L941 HydrophobicContact CG-CD1 3.91Å; L937-L941 WeakPolarHBondContact O-CB 3.3Å; L937-L941 VanDerWaalsContact O-CG 3.24Å; L937-L941 WeakPolarHBondContact O-CG 3.27Å; L937-L941 PolarHBondContact O-N 2.96Å
938D93.1Very high87.1Confident35 Ų3537.3 Ų37.319%0.18718%0.182CC..Hα-helixtrans-58.9-50.3177.8-175.835.6000111.5Y467 T524 I940 L941 F942Y467-D938 VanDerWaalsContact CZ-OD2 3.26Å; Y467-D938 PolarHBondContact OH-OD2 3.18Å; T524-D938 PolarHBondContact N-OD1 3.45Å; T524-D938 WeakPolarHBondContact O-CB 3.19Å; D938-I940 PolarHBondContact O-N 3.37Å; D938-L941 PolarHBondContact O-N 3.46Å; D938-F942 WeakPolarHBondContact O-CB 3.4Å; D938-F942 PolarHBondContact O-N 3.37Å
939A92.4Very high86.7Confident14 Ų1437.8 Ų37.812%0.11619%0.194CC..Hα-helixtrans-59.7-47-178.100000112.6Y467 L937 L943Y467-A939 HydrophobicContact CD2-CB 4.27Å; Y467-A939 HydrophobicContact CG-CB 4.16Å; L937-A939 PolarHBondContact O-N 3.43Å; A939-L943 WeakPolarHBondContact O-CB 3.5Å; A939-L943 WeakPolarHBondContact O-CD1 3.48Å; A939-L943 WeakPolarHBondContact O-CG 3.44Å; A939-L943 PolarHBondContact O-N 3.49Å
940I92.4Very high85.5Confident0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-66.8-45.6-180-70.8168.4000110.7L428 P431 L463 I932 S936 D938 L943 H944L428-I940 HydrophobicContact CD2-CG2 3.86Å; P431-I940 HydrophobicContact CG-CD1 4.21Å; L463-I940 HydrophobicContact CD1-CD1 4Å; L463-I940 HydrophobicContact CD1-CG1 3.93Å; L463-I940 HydrophobicContact CD2-CG1 4.25Å; I932-I940 HydrophobicContact CD1-CB 4.42Å; I932-I940 HydrophobicContact CD1-CG2 3.76Å; I932-I940 HydrophobicContact CG2-CD1 3.76Å; S936-I940 WeakPolarHBondContact O-CB 3.34Å; S936-I940 WeakPolarHBondContact O-CG1 3.45Å; S936-I940 PolarHBondContact O-N 3.34Å; D938-I940 PolarHBondContact O-N 3.37Å; I940-L943 PolarHBondContact O-N 3.31Å; I940-H944 WeakPolarHBondContact O-CB 3.48Å; I940-H944 PolarHBondContact O-N 3.12Å
941L91.4Very high83.8Confident0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-66.1-43.2-179.5-67.7177.3000111.7L428 W491 T524 R929 L937 D938 H944 H945L428-L941 HydrophobicContact CD2-CD2 3.85Å; W491-L941 HydrophobicContact CH2-CD1 4.16Å; W491-L941 HydrophobicContact CZ2-CD1 3.71Å; T524-L941 HydrophobicContact CG2-CD1 4.05Å; R929-L941 HydrophobicContact CG-CD2 4.03Å; L937-L941 HydrophobicContact CD1-CD1 3.84Å; L937-L941 HydrophobicContact CD1-CG 4.28Å; L937-L941 HydrophobicContact CG-CD1 3.91Å; L937-L941 WeakPolarHBondContact O-CB 3.3Å; L937-L941 VanDerWaalsContact O-CG 3.24Å; L937-L941 WeakPolarHBondContact O-CG 3.27Å; L937-L941 PolarHBondContact O-N 2.96Å; D938-L941 PolarHBondContact O-N 3.46Å; L941-H944 PolarHBondContact O-N 3.33Å; L941-H945 VanDerWaalsContact O-CB 3.31Å; L941-H945 WeakPolarHBondContact O-CB 3.37Å; L941-H945 PolarHBondContact O-N 3.02Å; L941-H945 PolarHBondContact O-ND1 3.34Å
942F92.8Very high83.9Confident2 Ų242.4 Ų42.41%0.00923%0.234CC..Hα-helixtrans-57.3-50.6174.8178.2-91.7000111.6Y467 A470 K471 M474 A521 L522 W551 D938 N946 I948Y467-F942 HydrophobicContact CD2-CB 3.74Å; Y467-F942 AromaticContact CD2-CD1 3.45Å; Y467-F942 HydrophobicContact CD2-CD1 3.45Å; Y467-F942 VanDerWaalsContact CD2-CD1 3.45Å; Y467-F942 HydrophobicContact CD2-CD2 4.48Å; Y467-F942 HydrophobicContact CD2-CE1 4.18Å; Y467-F942 AromaticContact CD2-CG 3.63Å; Y467-F942 HydrophobicContact CD2-CG 3.63Å; Y467-F942 HydrophobicContact CE2-CB 3.69Å; Y467-F942 AromaticContact CE2-CD1 3.83Å; Y467-F942 HydrophobicContact CE2-CD1 3.83Å; Y467-F942 HydrophobicContact CE2-CD2 4.02Å; Y467-F942 HydrophobicContact CE2-CE1 4.47Å; Y467-F942 AromaticContact CE2-CG 3.56Å; Y467-F942 HydrophobicContact CE2-CG 3.56Å; A470-F942 HydrophobicContact CB-CE1 3.85Å; K471-F942 HydrophobicContact CB-CZ 4.49Å; M474-F942 HydrophobicContact SD-CE1 4.33Å; M474-F942 HydrophobicContact SD-CE2 4.16Å; M474-F942 HydrophobicContact SD-CZ 3.53Å; M474-F942 VanDerWaalsContact SD-CZ 3.53Å; A521-F942 WeakPolarHBondContact O-CD2 3.38Å; A521-F942 WeakPolarHBondContact O-CE2 3.24Å; L522-F942 WeakPolarHBondContact O-CD2 3.45Å; L522-F942 WeakPolarHBondContact O-CE2 3.37Å; W551-F942 AromaticContact CH2-CE2 3.54Å; W551-F942 HydrophobicContact CH2-CE2 3.54Å; W551-F942 AromaticContact CH2-CZ 3.89Å; W551-F942 HydrophobicContact CH2-CZ 3.89Å; W551-F942 AromaticContact CZ2-CE2 3.88Å; W551-F942 HydrophobicContact CZ2-CE2 3.88Å; D938-F942 WeakPolarHBondContact O-CB 3.4Å; D938-F942 PolarHBondContact O-N 3.37Å; F942-N946 WeakPolarHBondContact O-CB 3.32Å; F942-N946 PolarHBondContact O-N 3.45Å; F942-N946 PolarHBondContact O-ND2 3.29Å; F942-I948 HydrophobicContact CD1-CD1 4.12Å; F942-I948 HydrophobicContact CE1-CD1 3.64Å; F942-I948 HydrophobicContact CZ-CD1 4.41Å
943L91.9Very high83.7Confident1 Ų144.6 Ų44.61%0.00525%0.246CC..Hα-helixtrans-66.7-38.7-179.5-67.5171.3000112.1I425 L463 H466 A470 A939 I940 R947 I948I425-L943 HydrophobicContact CD1-CB 4.05Å; I425-L943 HydrophobicContact CD1-CD1 3.73Å; I425-L943 HydrophobicContact CD1-CG 4.48Å; I425-L943 HydrophobicContact CG1-CB 4.21Å; I425-L943 HydrophobicContact CG1-CD1 4.24Å; I425-L943 HydrophobicContact CG2-CB 3.77Å; L463-L943 HydrophobicContact CD2-CD1 4.24Å; H466-L943 HydrophobicContact CB-CD1 4Å; H466-L943 HydrophobicContact CB-CD2 4.38Å; A470-L943 HydrophobicContact CB-CD2 4.19Å; A939-L943 WeakPolarHBondContact O-CB 3.5Å; A939-L943 WeakPolarHBondContact O-CD1 3.48Å; A939-L943 WeakPolarHBondContact O-CG 3.44Å; A939-L943 PolarHBondContact O-N 3.49Å; I940-L943 PolarHBondContact O-N 3.31Å; L943-R947 PolarHBondContact O-N 3.47Å; L943-I948 HydrophobicContact CD2-CB 4.03Å; L943-I948 HydrophobicContact CD2-CD1 3.88Å; L943-I948 HydrophobicContact CD2-CG2 4.01Å; L943-I948 PolarHBondContact O-N 2.74Å; L943-I948 VanDerWaalsContact O-N 3.16Å
944H91Very high83.4Confident52 Ų5246.7 Ų46.724%0.24126%0.257CS..Hα-helixtrans-65.6-54.8179.8178.397.2000111.6I425 K426 L428 I940 L941 N946 R947I425-H944 HydrophobicContact CG2-CB 4.07Å; I425-H944 PolarHBondContact O-ND1 2.97Å; K426-H944 PolarHBondContact O-CE1 3.33Å; K426-H944 PolarHBondContact O-ND1 2.78Å; L428-H944 HydrophobicContact CD2-CB 3.75Å; L428-H944 VanDerWaalsContact CD2-CG 3.48Å; L428-H944 WeakPolarHBondContact CD2-ND1 3.48Å; I940-H944 WeakPolarHBondContact O-CB 3.48Å; I940-H944 PolarHBondContact O-N 3.12Å; L941-H944 PolarHBondContact O-N 3.33Å; H944-N946 VanDerWaalsContact C-N 3.33Å; H944-N946 PolarHBondContact O-N 3.15Å; H944-R947 PolarHBondContact O-N 2.92Å; H944-R947 VanDerWaalsContact O-N 3.11Å
945H88.5Confident83.1Confident23 Ų2346.9 Ų46.911%0.10626%0.256CS..Hα-helixtrans-65.5-37.4-174.7-67133.6000112.2W506 A521 N911 L941 R947W506-H945 HydrophobicContact CH2-CB 3.59Å; W506-H945 AromaticContact CH2-CD2 3.69Å; W506-H945 AromaticContact CH2-CG 3.5Å; W506-H945 HydrophobicContact CZ2-CB 4.32Å; W506-H945 AromaticContact CZ2-CD2 3.99Å; W506-H945 AromaticContact CZ2-CG 3.84Å; W506-H945 AromaticContact CZ2-ND1 3.9Å; W506-H945 HydrophobicContact CZ3-CB 4.11Å; A521-H945 HydrophobicContact CB-CB 3.59Å; N911-H945 PolarHBondContact ND2-CD2 2.75Å; N911-H945 PolarHBondContact ND2-NE2 3.02Å; L941-H945 VanDerWaalsContact O-CB 3.31Å; L941-H945 WeakPolarHBondContact O-CB 3.37Å; L941-H945 PolarHBondContact O-N 3.02Å; L941-H945 PolarHBondContact O-ND1 3.34Å; H945-R947 PolarHBondContact O-N 3.49Å
946N89.1Confident82.8Confident22 Ų2240.6 Ų40.612%0.11823%0.229CC..THydrogen-bonded Turntrans-833.7177.7-65.5-57.6000113.6M474 L520 A521 F942 H944 I948M474-N946 HydrophobicContact CE-CB 3.85Å; L520-N946 VanDerWaalsContact CA-OD1 3.31Å; L520-N946 WeakPolarHBondContact CA-OD1 3.33Å; A521-N946 PolarHBondContact N-OD1 3.12Å; A521-N946 PolarHBondContact O-ND2 3.29Å; F942-N946 WeakPolarHBondContact O-CB 3.32Å; F942-N946 PolarHBondContact O-N 3.45Å; F942-N946 PolarHBondContact O-ND2 3.29Å; H944-N946 VanDerWaalsContact C-N 3.33Å; H944-N946 PolarHBondContact O-N 3.15Å; N946-I948 HydrophobicContact CB-CD1 3.65Å; N946-I948 HydrophobicContact CB-CG1 3.88Å; N946-I948 PolarHBondContact O-N 2.84Å; N946-I948 VanDerWaalsContact O-N 3.12Å
947R84.7Confident82.4Confident220 Ų22042.9 Ų42.983%0.8324%0.241SC*.THydrogen-bonded Turntrans50.935.5179.3-56.7-178.3179.2-177.70.1113.6L943 H944 H945 S949L943-R947 PolarHBondContact O-N 3.47Å; H944-R947 PolarHBondContact O-N 2.92Å; H944-R947 VanDerWaalsContact O-N 3.11Å; H945-R947 PolarHBondContact O-N 3.49Å; R947-S949 PolarHBondContact O-N 2.99Å
948I76.4Confident81.8Confident43 Ų4346 Ų4622%0.22126%0.259CS..  trans-71.4121.3-175.5-67.8154.9000109.4A470 F942 L943 N946A470-I948 HydrophobicContact CB-CD1 3.53Å; A470-I948 HydrophobicContact CB-CG1 4.38Å; A470-I948 HydrophobicContact CB-CG2 4.15Å; F942-I948 HydrophobicContact CD1-CD1 4.12Å; F942-I948 HydrophobicContact CE1-CD1 3.64Å; F942-I948 HydrophobicContact CZ-CD1 4.41Å; L943-I948 HydrophobicContact CD2-CB 4.03Å; L943-I948 HydrophobicContact CD2-CD1 3.88Å; L943-I948 HydrophobicContact CD2-CG2 4.01Å; L943-I948 PolarHBondContact O-N 2.74Å; L943-I948 VanDerWaalsContact O-N 3.16Å; N946-I948 HydrophobicContact CB-CD1 3.65Å; N946-I948 HydrophobicContact CB-CG1 3.88Å; N946-I948 PolarHBondContact O-N 2.84Å; N946-I948 VanDerWaalsContact O-N 3.12Å
949S64.8Low80.9Confident81 Ų8146.8 Ų46.857%0.56626%0.264SS*.  trans-69.5134.9174.5-179.60000110.6R947 A951R947-S949 PolarHBondContact O-N 2.99Å; S949-A951 VanDerWaalsContact C-N 3.26Å; S949-A951 WeakPolarHBondContact OG-CB 3.22Å; S949-A951 PolarHBondContact OG-N 3.49Å; S949-A951 VanDerWaalsContact OG-N 3.1Å
950T55.4Low80Confident12 Ų1249.6 Ų49.67%0.07428%0.277CS..  trans-82.1-4.617052.30000112.9N418 T421 I425N418-T950 PolarHBondContact O-OG1 2.95Å; T421-T950 HydrophobicContact CG2-CG2 4Å; I425-T950 HydrophobicContact CD1-CG2 3.58Å
951A41.2Very low78.8Confident139 Ų13954.1 Ų54.1100%1.14930%0.302SS*.  trans-92.80-179.500000113.2S949S949-A951 VanDerWaalsContact C-N 3.26Å; S949-A951 WeakPolarHBondContact OG-CB 3.22Å; S949-A951 PolarHBondContact OG-N 3.49Å; S949-A951 VanDerWaalsContact OG-N 3.1Å

Retrieved 951 of 951 residues in 1807.3 ms (Link to these results)

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