A0A5K4F1K4_SCHMA Loading...

Intraflagellar transport protein 81 homolog

Component of the intraflagellar transport (IFT) complex B: together with IFT74, forms a tubulin-binding module that specifically mediates transport of tubulin within the cilium. Binds tubulin via its CH (calponin-homology)-like region. Required for ciliogenesis. Required for proper regulation of SHH signaling. Plays an important role during spermatogenesis by modulating the assembly and elongation of the sperm flagella.

AlphaFold DB , UniProt , Accession A0A5K4F1K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 712 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.8Low78.6Confident194 Ų19479.5 Ų79.596%0.95639%0.385SS*.  0-60.20-73.4-89.5-97.100111.8E3 L4 L5M1-E3 PolarHBondContact O-N 2.85Å; M1-L4 PolarHBondContact O-N 2.85Å; M1-L5 WeakPolarHBondContact O-CB 3.36Å; M1-L5 PolarHBondContact O-N 3.37Å
2S73.3Confident79Confident63 Ų6372.9 Ų72.944%0.44135%0.353SS..Hα-helixtrans-63.3-42.2-177.3-166.50000114.5R6S2-R6 WeakPolarHBondContact O-CB 3.24Å; S2-R6 VanDerWaalsContact O-CG 3.23Å; S2-R6 WeakPolarHBondContact O-CG 3.42Å; S2-R6 PolarHBondContact O-N 3.23Å; S2-R6 PolarHBondContact OG-NE 2.72Å
3E79.4Confident79.3Confident169 Ų16971.5 Ų71.579%0.7935%0.348SS*.Hα-helixtrans-67.7-41.9178.2-68.2-177.7168.700113M1 L5 R6 S7M1-E3 PolarHBondContact O-N 2.85Å; E3-L5 PolarHBondContact O-N 3.33Å; E3-R6 PolarHBondContact O-N 3.48Å; E3-S7 WeakPolarHBondContact O-CB 3.31Å; E3-S7 PolarHBondContact O-N 3.32Å
4L80.4Confident79.2Confident41 Ų4172.9 Ų72.922%0.21536%0.358CS..Hα-helixtrans-61.4-45.1177.5-171148.3000110.9M1 S7 I8 E103M1-L4 PolarHBondContact O-N 2.85Å; L4-S7 PolarHBondContact O-N 3.23Å; L4-I8 HydrophobicContact CD2-CD1 3.51Å; L4-I8 HydrophobicContact CD2-CG1 4.46Å; L4-I8 HydrophobicContact CG-CD1 4.45Å; L4-I8 VanDerWaalsContact O-CG1 3.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.45Å; L4-I8 PolarHBondContact O-N 3.35Å; L4-E103 WeakPolarHBondContact CD1-OE2 3.27Å; L4-E103 HydrophobicContact CG-CB 4.3Å; L4-E103 HydrophobicContact CG-CG 4.41Å
5L81Confident78.4Confident16 Ų1679 Ų798%0.08439%0.385CS..Hα-helixtrans-63.7-42.4175.5-159.371000111.9M1 E3 S7 I8 I9 L23 F26 D27 Y99M1-L5 WeakPolarHBondContact O-CB 3.36Å; M1-L5 PolarHBondContact O-N 3.37Å; E3-L5 PolarHBondContact O-N 3.33Å; L5-S7 PolarHBondContact O-N 3.32Å; L5-I8 PolarHBondContact O-N 3.18Å; L5-I9 HydrophobicContact CD2-CD1 4.45Å; L5-I9 HydrophobicContact CG-CD1 3.9Å; L5-I9 WeakPolarHBondContact O-CB 3.44Å; L5-I9 WeakPolarHBondContact O-CD1 3.45Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å; L5-L23 HydrophobicContact CD2-CD1 4.06Å; L5-L23 HydrophobicContact CD2-CD2 4.41Å; L5-L23 HydrophobicContact CD2-CG 3.78Å; L5-L23 HydrophobicContact CG-CD1 4.34Å; L5-F26 HydrophobicContact CD1-CD1 3.5Å; L5-F26 HydrophobicContact CD1-CE1 3.76Å; L5-F26 HydrophobicContact CG-CD1 4.29Å; L5-D27 HydrophobicContact CD2-CB 4.39Å; L5-Y99 HydrophobicContact CD1-CD2 4.22Å; L5-Y99 HydrophobicContact CD1-CE1 4.42Å; L5-Y99 HydrophobicContact CD1-CE2 3.76Å
6R81.1Confident77.9Confident154 Ų15477.4 Ų77.458%0.58138%0.383SS*.Hα-helixtrans-61.3-42.9175.2-75.8172-172.4-101.53.1111.8S2 E3 I9 Q10 L23S2-R6 WeakPolarHBondContact O-CB 3.24Å; S2-R6 VanDerWaalsContact O-CG 3.23Å; S2-R6 WeakPolarHBondContact O-CG 3.42Å; S2-R6 PolarHBondContact O-N 3.23Å; S2-R6 PolarHBondContact OG-NE 2.72Å; E3-R6 PolarHBondContact O-N 3.48Å; R6-I9 PolarHBondContact O-N 3.18Å; R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.47Å; R6-Q10 PolarHBondContact O-N 2.9Å; R6-L23 HydrophobicContact CG-CD1 3.73Å
7S81.6Confident77.7Confident31 Ų3174.5 Ų74.522%0.21737%0.368CS..Hα-helixtrans-62.1-44.9176.8177.50000112.1E3 L4 L5 K11E3-S7 WeakPolarHBondContact O-CB 3.31Å; E3-S7 PolarHBondContact O-N 3.32Å; L4-S7 PolarHBondContact O-N 3.23Å; L5-S7 PolarHBondContact O-N 3.32Å; S7-K11 VanDerWaalsContact O-CG 3.32Å; S7-K11 WeakPolarHBondContact O-CG 3.5Å; S7-K11 PolarHBondContact O-N 3.49Å; S7-K11 VanDerWaalsContact O-N 3.11Å
8I83.8Confident77.5Confident0 Ų075.9 Ų75.90%038%0.377CS..Hα-helixtrans-62.2-51176.3-68.8169000110.5L4 L5 Q10 K11 L12 F26 Y99 L102 E103 L106L4-I8 HydrophobicContact CD2-CD1 3.51Å; L4-I8 HydrophobicContact CD2-CG1 4.46Å; L4-I8 HydrophobicContact CG-CD1 4.45Å; L4-I8 VanDerWaalsContact O-CG1 3.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.45Å; L4-I8 PolarHBondContact O-N 3.35Å; L5-I8 PolarHBondContact O-N 3.18Å; I8-Q10 PolarHBondContact O-N 3.31Å; I8-K11 PolarHBondContact O-N 3.42Å; I8-K11 VanDerWaalsContact O-N 3.16Å; I8-L12 HydrophobicContact CG2-CD1 3.58Å; I8-L12 HydrophobicContact CG2-CG 4.17Å; I8-L12 WeakPolarHBondContact O-CB 3.43Å; I8-L12 WeakPolarHBondContact O-CG 3.26Å; I8-L12 PolarHBondContact O-N 3.43Å; I8-F26 HydrophobicContact CG2-CE1 3.84Å; I8-F26 HydrophobicContact CG2-CE2 4.37Å; I8-F26 HydrophobicContact CG2-CZ 3.64Å; I8-Y99 HydrophobicContact CD1-CG 4.49Å; I8-Y99 VanDerWaalsContact CD1-O 3.3Å; I8-Y99 WeakPolarHBondContact CD1-O 3.32Å; I8-L102 HydrophobicContact CD1-CB 4.11Å; I8-L102 HydrophobicContact CG1-CB 4.38Å; I8-L102 HydrophobicContact CG2-CB 4.45Å; I8-L102 HydrophobicContact CG2-CD1 4.4Å; I8-E103 HydrophobicContact CD1-CB 4.34Å; I8-E103 HydrophobicContact CG1-CB 4.2Å; I8-L106 HydrophobicContact CB-CD1 4.32Å; I8-L106 HydrophobicContact CG1-CD1 4.42Å; I8-L106 HydrophobicContact CG2-CD1 3.9Å
9I83.2Confident77.5Confident13 Ų1376.1 Ų76.17%0.06737%0.373CS..Hα-helixtrans-62.9-43.5-178-69.9161.7000111L5 R6 K11 L12 N13 F21 L23 F26L5-I9 HydrophobicContact CD2-CD1 4.45Å; L5-I9 HydrophobicContact CG-CD1 3.9Å; L5-I9 WeakPolarHBondContact O-CB 3.44Å; L5-I9 WeakPolarHBondContact O-CD1 3.45Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å; R6-I9 PolarHBondContact O-N 3.18Å; I9-K11 VanDerWaalsContact C-N 3.26Å; I9-K11 PolarHBondContact O-N 2.9Å; I9-L12 PolarHBondContact O-N 2.94Å; I9-N13 WeakPolarHBondContact CG2-ND2 3.44Å; I9-N13 VanDerWaalsContact O-CB 3.29Å; I9-N13 WeakPolarHBondContact O-CB 3.5Å; I9-N13 PolarHBondContact O-N 3.43Å; I9-N13 PolarHBondContact O-OD1 3.11Å; I9-F21 HydrophobicContact CG2-CB 4.41Å; I9-F21 WeakPolarHBondContact CG2-O 3.29Å; I9-L23 HydrophobicContact CD1-CB 4.39Å; I9-L23 HydrophobicContact CD1-CD1 3.67Å; I9-L23 HydrophobicContact CD1-CG 4.25Å; I9-F26 HydrophobicContact CD1-CB 3.89Å; I9-F26 HydrophobicContact CD1-CD1 4.31Å; I9-F26 HydrophobicContact CD1-CG 4.28Å; I9-F26 HydrophobicContact CG1-CB 3.91Å; I9-F26 HydrophobicContact CG1-CD1 4.07Å; I9-F26 HydrophobicContact CG1-CG 3.91Å
10Q83.1Confident77.6Confident129 Ų12979 Ų7960%0.60340%0.395SS*.Hα-helixtrans-59.1-40.1177-172177.59.200111.3R6 I8 N14R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.47Å; R6-Q10 PolarHBondContact O-N 2.9Å; I8-Q10 PolarHBondContact O-N 3.31Å; Q10-N14 PolarHBondContact O-N 3.09Å; Q10-N14 PolarHBondContact O-ND2 2.92Å; Q10-N14 PolarHBondContact O-OD1 3.29Å
11K82.2Confident77.8Confident64 Ų6476.5 Ų76.528%0.27838%0.382SS..Hα-helixtrans-77.7-31.9179.4-69.1179.3-173.4-1780113.8S7 I8 I9 L106 S107S7-K11 VanDerWaalsContact O-CG 3.32Å; S7-K11 WeakPolarHBondContact O-CG 3.5Å; S7-K11 PolarHBondContact O-N 3.49Å; S7-K11 VanDerWaalsContact O-N 3.11Å; I8-K11 PolarHBondContact O-N 3.42Å; I8-K11 VanDerWaalsContact O-N 3.16Å; I9-K11 VanDerWaalsContact C-N 3.26Å; I9-K11 PolarHBondContact O-N 2.9Å; K11-L106 HydrophobicContact CB-CB 4.07Å; K11-L106 HydrophobicContact CB-CD1 4.19Å; K11-L106 HydrophobicContact CB-CD2 4.43Å; K11-L106 HydrophobicContact CB-CG 4.47Å; K11-L106 HydrophobicContact CD-CB 3.73Å; K11-L106 WeakPolarHBondContact CD-O 3.43Å; K11-S107 VanDerWaalsContact NZ-CA 3.27Å; K11-S107 PolarHBondContact NZ-OG 3.02Å
12L83.4Confident78.9Confident1 Ų172.9 Ų72.91%0.00537%0.367CS..Hα-helixtrans-74.4-27.6173.9-71.9175.4000112.7I8 I9 F17 R19 F21 F26 V37 V41 L106I8-L12 HydrophobicContact CG2-CD1 3.58Å; I8-L12 HydrophobicContact CG2-CG 4.17Å; I8-L12 WeakPolarHBondContact O-CB 3.43Å; I8-L12 WeakPolarHBondContact O-CG 3.26Å; I8-L12 PolarHBondContact O-N 3.43Å; I9-L12 PolarHBondContact O-N 2.94Å; L12-F17 HydrophobicContact CD2-CB 4.45Å; L12-F17 HydrophobicContact CD2-CD2 4.08Å; L12-F17 HydrophobicContact CD2-CG 4.16Å; L12-F17 VanDerWaalsContact O-CB 3.28Å; L12-F17 WeakPolarHBondContact O-CB 3.4Å; L12-R19 WeakPolarHBondContact O-CB 3.42Å; L12-R19 PolarHBondContact O-N 2.82Å; L12-R19 VanDerWaalsContact O-N 3.08Å; L12-F21 HydrophobicContact CB-CD2 4.44Å; L12-F21 HydrophobicContact CD1-CD2 4.34Å; L12-F26 HydrophobicContact CD1-CD2 4.13Å; L12-F26 HydrophobicContact CD1-CE2 3.39Å; L12-F26 HydrophobicContact CD1-CZ 3.88Å; L12-V37 HydrophobicContact CD1-CG1 3.98Å; L12-V37 HydrophobicContact CD2-CG1 4.15Å; L12-V41 HydrophobicContact CD2-CG2 3.83Å; L12-L106 HydrophobicContact CD2-CD1 4.04Å; L12-L106 HydrophobicContact CD2-CD2 4.03Å; L12-L106 HydrophobicContact CG-CD1 3.87Å
13N82.5Confident79.2Confident54 Ų5473.3 Ų73.329%0.28936%0.364SS..Hα-helixtrans-80.8-21.2175.9-68.3-3.8000112.5I9 R19 F21I9-N13 WeakPolarHBondContact CG2-ND2 3.44Å; I9-N13 VanDerWaalsContact O-CB 3.29Å; I9-N13 WeakPolarHBondContact O-CB 3.5Å; I9-N13 PolarHBondContact O-N 3.43Å; I9-N13 PolarHBondContact O-OD1 3.11Å; N13-R19 VanDerWaalsContact CA-O 3.27Å; N13-R19 WeakPolarHBondContact CA-O 3.27Å; N13-R19 WeakPolarHBondContact CB-O 3.27Å; N13-R19 VanDerWaalsContact CG-O 3.25Å; N13-R19 PolarHBondContact OD1-O 3.2Å; N13-F21 PolarHBondContact ND2-O 3.29Å; N13-F21 PolarHBondContact OD1-N 3.44Å
14N78.2Confident79.3Confident91 Ų9172 Ų7249%0.48736%0.361SS..SBendtrans-78.4161.3173.3-69.4-15.7000111.7Q10 F17 N18Q10-N14 PolarHBondContact O-N 3.09Å; Q10-N14 PolarHBondContact O-ND2 2.92Å; Q10-N14 PolarHBondContact O-OD1 3.29Å; N14-F17 PolarHBondContact O-N 3.09Å; N14-N18 PolarHBondContact O-N 3.13Å
15E66.9Low79.4Confident165 Ų16572 Ų7277%0.77136%0.364SS*.THydrogen-bonded Turntrans-57.5135.8168.1-69.8-172.8162.600109.6N18E15-N18 WeakPolarHBondContact CG-OD1 3.46Å; E15-N18 PolarHBondContact N-OD1 2.92Å
16P70.6Confident79.5Confident54 Ų5471.2 Ų71.235%0.35136%0.36SS..THydrogen-bonded Turncis-95.3-417.435.7-37.3000116.4E44P16-E44 HydrophobicContact CB-CG 4.11Å; P16-E44 WeakPolarHBondContact CB-OE1 3.14Å; P16-E44 HydrophobicContact CG-CG 3.47Å; P16-E44 VanDerWaalsContact CG-CG 3.47Å; P16-E44 WeakPolarHBondContact CG-OE1 3.44Å
17F74.7Confident79.7Confident27 Ų2767.4 Ų67.412%0.11835%0.351CS..THydrogen-bonded Turntrans-85.6-29.4-169.3-59.4-67.8000113.6L12 N14 R19 V41 E44 L106 I109L12-F17 HydrophobicContact CD2-CB 4.45Å; L12-F17 HydrophobicContact CD2-CD2 4.08Å; L12-F17 HydrophobicContact CD2-CG 4.16Å; L12-F17 VanDerWaalsContact O-CB 3.28Å; L12-F17 WeakPolarHBondContact O-CB 3.4Å; N14-F17 PolarHBondContact O-N 3.09Å; F17-R19 HydrophobicContact CB-CG 4.23Å; F17-R19 PolarHBondContact O-N 2.71Å; F17-V41 HydrophobicContact CD1-CG2 4.38Å; F17-V41 HydrophobicContact CE1-CB 4.2Å; F17-V41 HydrophobicContact CE1-CG2 3.81Å; F17-V41 HydrophobicContact CE2-CG2 4.24Å; F17-V41 HydrophobicContact CZ-CB 4.06Å; F17-V41 HydrophobicContact CZ-CG1 4.07Å; F17-V41 HydrophobicContact CZ-CG2 3.72Å; F17-E44 HydrophobicContact CE1-CB 3.61Å; F17-E44 HydrophobicContact CE1-CG 3.83Å; F17-E44 HydrophobicContact CZ-CB 3.93Å; F17-E44 HydrophobicContact CZ-CG 3.92Å; F17-L106 HydrophobicContact CD2-CD2 4.14Å; F17-L106 HydrophobicContact CE2-CD2 3.5Å; F17-L106 HydrophobicContact CZ-CD2 4.2Å; F17-I109 HydrophobicContact CE2-CD1 3.86Å; F17-I109 HydrophobicContact CZ-CD1 4.49Å
18N74.6Confident79.9Confident101 Ų10170 Ų7054%0.5437%0.369SS..  trans44.639176.2-69.5-20.2000113.7N14 E15N14-N18 PolarHBondContact O-N 3.13Å; E15-N18 WeakPolarHBondContact CG-OD1 3.46Å; E15-N18 PolarHBondContact N-OD1 2.92Å
19R76.9Confident79.9Confident79 Ų7971.7 Ų71.730%0.29838%0.378SS..  trans-78.4154.1174.6-59-84.7177.4143.9-3.3109L12 N13 F17 F21 D40L12-R19 WeakPolarHBondContact O-CB 3.42Å; L12-R19 PolarHBondContact O-N 2.82Å; L12-R19 VanDerWaalsContact O-N 3.08Å; N13-R19 VanDerWaalsContact CA-O 3.27Å; N13-R19 WeakPolarHBondContact CA-O 3.27Å; N13-R19 WeakPolarHBondContact CB-O 3.27Å; N13-R19 VanDerWaalsContact CG-O 3.25Å; N13-R19 PolarHBondContact OD1-O 3.2Å; F17-R19 HydrophobicContact CB-CG 4.23Å; F17-R19 PolarHBondContact O-N 2.71Å; R19-F21 HydrophobicContact CB-CD2 3.38Å; R19-F21 HydrophobicContact CB-CE2 3.47Å; R19-F21 VanDerWaalsContact CB-CE2 3.47Å; R19-F21 HydrophobicContact CB-CG 4.18Å; R19-F21 HydrophobicContact CB-CZ 4.3Å; R19-F21 VanDerWaalsContact CD-CE2 3.47Å; R19-F21 HydrophobicContact CG-CD2 3.92Å; R19-F21 HydrophobicContact CG-CE2 3.49Å; R19-F21 VanDerWaalsContact CG-CE2 3.49Å; R19-F21 HydrophobicContact CG-CZ 4.28Å; R19-D40 IonicContact CZ-OD2 2.86Å; R19-D40 IonicContact NH2-OD2 3.31Å; R19-D40 PolarHBondContact NH2-OD2 3.41Å
20T79.6Confident79.9Confident133 Ų13376.7 Ų76.782%0.81640%0.401SS*.  trans-111.453.917547.10000110.2
21F80.6Confident79.9Confident28 Ų2873.7 Ų73.712%0.12339%0.393CS..  trans-82.8132.9-179.6-67.9-52.9000111.3I9 L12 N13 R19 F26 L29 V37I9-F21 HydrophobicContact CG2-CB 4.41Å; I9-F21 WeakPolarHBondContact CG2-O 3.29Å; L12-F21 HydrophobicContact CB-CD2 4.44Å; L12-F21 HydrophobicContact CD1-CD2 4.34Å; N13-F21 PolarHBondContact ND2-O 3.29Å; N13-F21 PolarHBondContact OD1-N 3.44Å; R19-F21 HydrophobicContact CB-CD2 3.38Å; R19-F21 HydrophobicContact CB-CE2 3.47Å; R19-F21 VanDerWaalsContact CB-CE2 3.47Å; R19-F21 HydrophobicContact CB-CG 4.18Å; R19-F21 HydrophobicContact CB-CZ 4.3Å; R19-F21 VanDerWaalsContact CD-CE2 3.47Å; R19-F21 HydrophobicContact CG-CD2 3.92Å; R19-F21 HydrophobicContact CG-CE2 3.49Å; R19-F21 VanDerWaalsContact CG-CE2 3.49Å; R19-F21 HydrophobicContact CG-CZ 4.28Å; F21-F26 HydrophobicContact CB-CB 4.12Å; F21-F26 HydrophobicContact CB-CD2 4.33Å; F21-F26 HydrophobicContact CD1-CD2 4.42Å; F21-F26 AromaticContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CE2 4.39Å; F21-F26 HydrophobicContact CE2-CD2 4.15Å; F21-F26 HydrophobicContact CE2-CE2 4.45Å; F21-F26 HydrophobicContact CG-CB 4.41Å; F21-F26 AromaticContact CG-CD2 3.95Å; F21-F26 HydrophobicContact CG-CD2 3.95Å; F21-L29 HydrophobicContact CE1-CD1 4.1Å; F21-L29 HydrophobicContact CE1-CD2 4.13Å; F21-L29 HydrophobicContact CZ-CD1 4.09Å; F21-V37 HydrophobicContact CE2-CG2 4.32Å; F21-V37 HydrophobicContact CZ-CG2 4.19Å
22N80.2Confident80.1Confident118 Ų11874 Ų7463%0.63140%0.4SS*.  trans-96.2163165-71-25000108.6I24 S25 F26N22-I24 PolarHBondContact O-N 3.08Å; N22-I24 VanDerWaalsContact O-N 3.12Å; N22-S25 PolarHBondContact N-OG 2.95Å; N22-S25 PolarHBondContact O-N 2.91Å; N22-S25 VanDerWaalsContact O-N 3.11Å; N22-S25 PolarHBondContact O-OG 3.13Å; N22-F26 PolarHBondContact O-N 2.98Å
23L79.9Confident80.1Confident71 Ų7177.6 Ų77.637%0.37242%0.417SS..Hα-helixtrans-51.9-40.2178.3-14586.8000112.4L5 R6 I9 D27L5-L23 HydrophobicContact CD2-CD1 4.06Å; L5-L23 HydrophobicContact CD2-CD2 4.41Å; L5-L23 HydrophobicContact CD2-CG 3.78Å; L5-L23 HydrophobicContact CG-CD1 4.34Å; R6-L23 HydrophobicContact CG-CD1 3.73Å; I9-L23 HydrophobicContact CD1-CB 4.39Å; I9-L23 HydrophobicContact CD1-CD1 3.67Å; I9-L23 HydrophobicContact CD1-CG 4.25Å; L23-D27 WeakPolarHBondContact O-CB 3.44Å; L23-D27 PolarHBondContact O-N 3.2Å
24I81.1Confident80.3Confident142 Ų14275.1 Ų75.173%0.72840%0.403SS*.Hα-helixtrans-74.6-45.6179.9-57170.1000111N22 F26 D27 S28N22-I24 PolarHBondContact O-N 3.08Å; N22-I24 VanDerWaalsContact O-N 3.12Å; I24-F26 VanDerWaalsContact C-N 3.32Å; I24-F26 PolarHBondContact O-N 3.43Å; I24-D27 PolarHBondContact O-N 3.05Å; I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 2.92Å; I24-S28 PolarHBondContact O-OG 3.48Å
25S81.7Confident80.7Confident41 Ų4171.1 Ų71.129%0.28738%0.382SS..Hα-helixtrans-71.4-28.5-175.761.30000113.1N22 S28 L29N22-S25 PolarHBondContact N-OG 2.95Å; N22-S25 PolarHBondContact O-N 2.91Å; N22-S25 VanDerWaalsContact O-N 3.11Å; N22-S25 PolarHBondContact O-OG 3.13Å; S25-S28 WeakPolarHBondContact CA-OG 3.34Å; S25-S28 PolarHBondContact O-OG 3.34Å; S25-L29 WeakPolarHBondContact O-CG 3.31Å
26F84.5Confident81.6Confident0 Ų064.9 Ų64.90%035%0.353CS..Hα-helixtrans-75.1-41.1173.2-169.2-103.2000112.3L5 I8 I9 L12 F21 N22 I24 S28 L29 L34 V37 Y99 L102L5-F26 HydrophobicContact CD1-CD1 3.5Å; L5-F26 HydrophobicContact CD1-CE1 3.76Å; L5-F26 HydrophobicContact CG-CD1 4.29Å; I8-F26 HydrophobicContact CG2-CE1 3.84Å; I8-F26 HydrophobicContact CG2-CE2 4.37Å; I8-F26 HydrophobicContact CG2-CZ 3.64Å; I9-F26 HydrophobicContact CD1-CB 3.89Å; I9-F26 HydrophobicContact CD1-CD1 4.31Å; I9-F26 HydrophobicContact CD1-CG 4.28Å; I9-F26 HydrophobicContact CG1-CB 3.91Å; I9-F26 HydrophobicContact CG1-CD1 4.07Å; I9-F26 HydrophobicContact CG1-CG 3.91Å; L12-F26 HydrophobicContact CD1-CD2 4.13Å; L12-F26 HydrophobicContact CD1-CE2 3.39Å; L12-F26 HydrophobicContact CD1-CZ 3.88Å; F21-F26 HydrophobicContact CB-CB 4.12Å; F21-F26 HydrophobicContact CB-CD2 4.33Å; F21-F26 HydrophobicContact CD1-CD2 4.42Å; F21-F26 AromaticContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CE2 4.39Å; F21-F26 HydrophobicContact CE2-CD2 4.15Å; F21-F26 HydrophobicContact CE2-CE2 4.45Å; F21-F26 HydrophobicContact CG-CB 4.41Å; F21-F26 AromaticContact CG-CD2 3.95Å; F21-F26 HydrophobicContact CG-CD2 3.95Å; N22-F26 PolarHBondContact O-N 2.98Å; I24-F26 VanDerWaalsContact C-N 3.32Å; I24-F26 PolarHBondContact O-N 3.43Å; F26-S28 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 3.25Å; F26-L29 HydrophobicContact CD2-CD1 3.55Å; F26-L29 HydrophobicContact CE2-CD1 3.82Å; F26-L29 HydrophobicContact CG-CD1 4.26Å; F26-L29 WeakPolarHBondContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CG 3.34Å; F26-L29 PolarHBondContact O-N 2.83Å; F26-L34 HydrophobicContact CZ-CD1 4.04Å; F26-V37 HydrophobicContact CE2-CG1 4.39Å; F26-Y99 HydrophobicContact CD1-CE1 4.4Å; F26-Y99 HydrophobicContact CE1-CD1 4.16Å; F26-Y99 AromaticContact CE1-CE1 3.6Å; F26-Y99 HydrophobicContact CE1-CE1 3.6Å; F26-Y99 HydrophobicContact CZ-CE1 4.24Å; F26-L102 HydrophobicContact CZ-CD1 3.96Å
27D85.4Confident82.3Confident73 Ų7362.5 Ų62.539%0.3934%0.337SS..Hα-helixtrans-70.9-27.3177.1-168.932.8000111.7L5 L23 I24 L29 K95 Y99L5-D27 HydrophobicContact CD2-CB 4.39Å; L23-D27 WeakPolarHBondContact O-CB 3.44Å; L23-D27 PolarHBondContact O-N 3.2Å; I24-D27 PolarHBondContact O-N 3.05Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 PolarHBondContact O-N 3.26Å; D27-K95 WeakPolarHBondContact O-CE 3.38Å; D27-K95 PolarHBondContact O-NZ 2.62Å; D27-K95 IonicContact OD1-NZ 2.81Å; D27-K95 PolarHBondContact OD1-NZ 3.35Å; D27-Y99 PolarHBondContact OD1-OH 3.41Å
28S85.4Confident82.8Confident86 Ų8661.2 Ų61.260%0.60133%0.332SS*.THydrogen-bonded Turntrans-79.62.6175690000114.7I24 S25 F26 E30I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 2.92Å; I24-S28 PolarHBondContact O-OG 3.48Å; S25-S28 WeakPolarHBondContact CA-OG 3.34Å; S25-S28 PolarHBondContact O-OG 3.34Å; F26-S28 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 3.25Å; S28-E30 PolarHBondContact O-N 2.87Å
29L83.3Confident83.4Confident35 Ų3556.4 Ų56.418%0.18331%0.306CS..  trans-65.9131179.5-70.6173.2000111.2F21 S25 F26 D27 H33 V37F21-L29 HydrophobicContact CE1-CD1 4.1Å; F21-L29 HydrophobicContact CE1-CD2 4.13Å; F21-L29 HydrophobicContact CZ-CD1 4.09Å; S25-L29 WeakPolarHBondContact O-CG 3.31Å; F26-L29 HydrophobicContact CD2-CD1 3.55Å; F26-L29 HydrophobicContact CE2-CD1 3.82Å; F26-L29 HydrophobicContact CG-CD1 4.26Å; F26-L29 WeakPolarHBondContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CG 3.34Å; F26-L29 PolarHBondContact O-N 2.83Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 PolarHBondContact O-N 3.26Å; L29-H33 HydrophobicContact CD2-CB 4.3Å; L29-V37 HydrophobicContact CD1-CG2 4.33Å
30E83.4Confident83.7Confident118 Ų11854.7 Ų54.755%0.55130%0.303SS*.  trans-64.6153.3172.4-61.7178.3159.300111S28 V32 H33 L34S28-E30 PolarHBondContact O-N 2.87Å; E30-V32 VanDerWaalsContact C-N 3.27Å; E30-V32 PolarHBondContact O-N 3.09Å; E30-V32 VanDerWaalsContact O-N 3.16Å; E30-H33 WeakPolarHBondContact O-CA 3.38Å; E30-H33 WeakPolarHBondContact O-CB 3.37Å; E30-H33 PolarHBondContact O-N 2.93Å; E30-H33 IonicContact OE2-CE1 3.87Å; E30-H33 PolarHBondContact OE2-CE1 3.37Å; E30-H33 VanDerWaalsContact OE2-CE1 3.25Å; E30-H33 IonicContact OE2-ND1 2.8Å; E30-H33 PolarHBondContact OE2-ND1 2.81Å; E30-H33 VanDerWaalsContact OE2-ND1 3.13Å; E30-L34 PolarHBondContact O-N 3.31Å
31P83.9Confident84Confident66 Ų6648.4 Ų48.443%0.42926%0.264SS..Hα-helixtrans-55.1-37.8-175.9-26.334000114.4L34 L35 T92P31-L34 PolarHBondContact O-N 2.94Å; P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 WeakPolarHBondContact O-CG 3.42Å; P31-L35 PolarHBondContact O-N 3.39Å; P31-T92 VanDerWaalsContact CB-O 3.24Å; P31-T92 WeakPolarHBondContact CB-O 3.29Å
32V84.8Confident84.2Confident71 Ų7147 Ų4743%0.4326%0.258SS..Hα-helixtrans-65.7-41.9176.9-177.30000111.3E30 L35 Q36E30-V32 VanDerWaalsContact C-N 3.27Å; E30-V32 PolarHBondContact O-N 3.09Å; E30-V32 VanDerWaalsContact O-N 3.16Å; V32-L35 PolarHBondContact O-N 3.45Å; V32-Q36 PolarHBondContact O-N 2.96Å
33H84.6Confident84.4Confident77 Ų7741.6 Ų41.636%0.35623%0.23SC..Hα-helixtrans-70-36.8177.5-6799.8000111.5L29 E30 Q36 V37L29-H33 HydrophobicContact CD2-CB 4.3Å; E30-H33 WeakPolarHBondContact O-CA 3.38Å; E30-H33 WeakPolarHBondContact O-CB 3.37Å; E30-H33 PolarHBondContact O-N 2.93Å; E30-H33 IonicContact OE2-CE1 3.87Å; E30-H33 PolarHBondContact OE2-CE1 3.37Å; E30-H33 VanDerWaalsContact OE2-CE1 3.25Å; E30-H33 IonicContact OE2-ND1 2.8Å; E30-H33 PolarHBondContact OE2-ND1 2.81Å; E30-H33 VanDerWaalsContact OE2-ND1 3.13Å; H33-Q36 PolarHBondContact O-N 3.02Å; H33-V37 WeakPolarHBondContact O-CG2 3.32Å; H33-V37 PolarHBondContact O-N 2.92Å
34L86.1Confident84.5Confident1 Ų141.4 Ų41.41%0.00523%0.227CC..Hα-helixtrans-65.9-41.3174.918060.8000111.7F26 E30 P31 Q36 V37 L38 K95 I98 Y99 L102F26-L34 HydrophobicContact CZ-CD1 4.04Å; E30-L34 PolarHBondContact O-N 3.31Å; P31-L34 PolarHBondContact O-N 2.94Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-V37 PolarHBondContact O-N 3.2Å; L34-L38 PolarHBondContact O-N 2.85Å; L34-K95 HydrophobicContact CD2-CG 3.97Å; L34-I98 HydrophobicContact CD1-CG2 3.97Å; L34-I98 HydrophobicContact CD2-CB 4.09Å; L34-I98 HydrophobicContact CD2-CD1 3.91Å; L34-I98 HydrophobicContact CD2-CG2 4.1Å; L34-I98 HydrophobicContact CG-CB 4.33Å; L34-I98 HydrophobicContact CG-CD1 3.96Å; L34-I98 HydrophobicContact CG-CG2 3.82Å; L34-Y99 HydrophobicContact CD1-CD1 4.43Å; L34-Y99 HydrophobicContact CD1-CE1 3.92Å; L34-Y99 HydrophobicContact CD2-CD1 4.49Å; L34-Y99 HydrophobicContact CD2-CE1 3.95Å; L34-L102 HydrophobicContact CD1-CD1 4.06Å
35L85.7Confident84.6Confident8 Ų835.1 Ų35.14%0.04220%0.195CC..Hα-helixtrans-62.1-42.4171.7-77.2171000111P31 V32 V37 L38 N39 I53 M61 L90 I98P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 WeakPolarHBondContact O-CG 3.42Å; P31-L35 PolarHBondContact O-N 3.39Å; V32-L35 PolarHBondContact O-N 3.45Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.47Å; L35-L38 CarbonylContact O-C 3.6Å; L35-L38 WeakPolarHBondContact O-CA 3.4Å; L35-L38 WeakPolarHBondContact O-CB 3.45Å; L35-L38 PolarHBondContact O-N 3Å; L35-N39 PolarHBondContact O-N 3.19Å; L35-I53 HydrophobicContact CB-CD1 3.61Å; L35-I53 WeakPolarHBondContact O-CD1 3.4Å; L35-M61 HydrophobicContact CD1-CE 4.4Å; L35-L90 HydrophobicContact CD2-CD1 4.29Å; L35-L90 WeakPolarHBondContact CD2-O 3.42Å; L35-I98 HydrophobicContact CD2-CD1 3.59Å; L35-I98 HydrophobicContact CD2-CG1 4.5Å; L35-I98 HydrophobicContact CG-CD1 3.97Å
36Q86.2Confident84.6Confident33 Ų3334.3 Ų34.315%0.15419%0.188CC..Hα-helixtrans-59.9-43.6176.8-172.7613500110.8V32 H33 L34 L38 N39 D40 D52 I53V32-Q36 PolarHBondContact O-N 2.96Å; H33-Q36 PolarHBondContact O-N 3.02Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 3.04Å; Q36-N39 PolarHBondContact O-N 2.89Å; Q36-N39 VanDerWaalsContact O-N 3.15Å; Q36-D40 PolarHBondContact NE2-OD1 3.45Å; Q36-D40 WeakPolarHBondContact O-CB 3.37Å; Q36-D40 PolarHBondContact O-N 2.92Å; Q36-D40 VanDerWaalsContact O-OD2 3.11Å; Q36-D52 PolarHBondContact OE1-OD1 2.84Å; Q36-I53 VanDerWaalsContact CA-CD1 3.46Å; Q36-I53 HydrophobicContact CB-CD1 4.34Å; Q36-I53 VanDerWaalsContact N-CD1 3.27Å; Q36-I53 VanDerWaalsContact OE1-CG1 3.28Å
37V85.1Confident84.4Confident4 Ų440.7 Ų40.72%0.02422%0.222CC..Hα-helixtrans-57.6-42.4173.3172.40000111.4L12 F21 F26 L29 H33 L34 L35 D40 V41L12-V37 HydrophobicContact CD1-CG1 3.98Å; L12-V37 HydrophobicContact CD2-CG1 4.15Å; F21-V37 HydrophobicContact CE2-CG2 4.32Å; F21-V37 HydrophobicContact CZ-CG2 4.19Å; F26-V37 HydrophobicContact CE2-CG1 4.39Å; L29-V37 HydrophobicContact CD1-CG2 4.33Å; H33-V37 WeakPolarHBondContact O-CG2 3.32Å; H33-V37 PolarHBondContact O-N 2.92Å; L34-V37 PolarHBondContact O-N 3.2Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.47Å; V37-D40 PolarHBondContact O-N 3.27Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.2Å; V37-V41 PolarHBondContact O-N 3.01Å
38L86.1Confident84.1Confident0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-63.3-44.3175.5173.763000112.3L34 L35 Q36 D40 V41 L42 M65 L90 I98 L101 L102 L105L34-L38 PolarHBondContact O-N 2.85Å; L35-L38 CarbonylContact O-C 3.6Å; L35-L38 WeakPolarHBondContact O-CA 3.4Å; L35-L38 WeakPolarHBondContact O-CB 3.45Å; L35-L38 PolarHBondContact O-N 3Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 3.04Å; L38-D40 VanDerWaalsContact C-N 3.32Å; L38-V41 WeakPolarHBondContact O-CB 3.4Å; L38-V41 PolarHBondContact O-N 2.91Å; L38-L42 HydrophobicContact CD1-CD1 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.34Å; L38-L42 WeakPolarHBondContact O-CG 3.43Å; L38-L42 PolarHBondContact O-N 3.31Å; L38-M65 HydrophobicContact CD2-CE 4.48Å; L38-M65 HydrophobicContact CD2-SD 4.34Å; L38-M65 HydrophobicContact CG-CE 4.48Å; L38-L90 HydrophobicContact CD2-CD1 3.83Å; L38-I98 HydrophobicContact CB-CG2 4.41Å; L38-I98 HydrophobicContact CD2-CG2 4.44Å; L38-L101 HydrophobicContact CD1-CD2 3.2Å; L38-L101 HydrophobicContact CD2-CD2 3.89Å; L38-L101 HydrophobicContact CG-CD2 4.17Å; L38-L102 HydrophobicContact CB-CD2 4.22Å; L38-L102 HydrophobicContact CD1-CD2 3.81Å; L38-L102 HydrophobicContact CD1-CG 4.33Å; L38-L105 HydrophobicContact CD1-CD1 3.53Å
39N85.9Confident83.8Confident0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-69.3-31.8178.5-163.752.4000112L35 Q36 L42 G43 H49 I51 I53 R64 M65L35-N39 PolarHBondContact O-N 3.19Å; Q36-N39 PolarHBondContact O-N 2.89Å; Q36-N39 VanDerWaalsContact O-N 3.15Å; N39-L42 CarbonylContact O-C 3.58Å; N39-L42 PolarHBondContact O-N 3.07Å; N39-G43 PolarHBondContact O-N 3.39Å; N39-H49 PolarHBondContact ND2-O 3.44Å; N39-H49 VanDerWaalsContact ND2-O 3.07Å; N39-H49 PolarHBondContact OD1-O 3.21Å; N39-I51 PolarHBondContact ND2-O 3.48Å; N39-I53 HydrophobicContact CB-CD1 3.64Å; N39-I53 HydrophobicContact CB-CG1 3.83Å; N39-R64 PolarHBondContact OD1-NH1 3.44Å; N39-R64 PolarHBondContact OD1-NH2 2.89Å; N39-M65 HydrophobicContact CB-CE 3.74Å
40D84.8Confident83.6Confident43 Ų4347 Ų4723%0.2323%0.233CC..Hα-helixtrans-66.2-39.6172-63.9-30.1000110.9R19 Q36 V37 L38 L42 G43 E44R19-D40 IonicContact CZ-OD2 2.86Å; R19-D40 IonicContact NH2-OD2 3.31Å; R19-D40 PolarHBondContact NH2-OD2 3.41Å; Q36-D40 PolarHBondContact NE2-OD1 3.45Å; Q36-D40 WeakPolarHBondContact O-CB 3.37Å; Q36-D40 PolarHBondContact O-N 2.92Å; Q36-D40 VanDerWaalsContact O-OD2 3.11Å; V37-D40 PolarHBondContact O-N 3.27Å; L38-D40 VanDerWaalsContact C-N 3.32Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-G43 PolarHBondContact O-N 2.95Å; D40-E44 WeakPolarHBondContact O-CB 3.24Å; D40-E44 PolarHBondContact O-N 3.35Å
41V85.3Confident83.5Confident1 Ų144 Ų441%0.00622%0.221CC..Hα-helixtrans-62.4-40.3171.9172.90000111.6L12 F17 V37 L38 I45 L102 L105 L106L12-V41 HydrophobicContact CD2-CG2 3.83Å; F17-V41 HydrophobicContact CD1-CG2 4.38Å; F17-V41 HydrophobicContact CE1-CB 4.2Å; F17-V41 HydrophobicContact CE1-CG2 3.81Å; F17-V41 HydrophobicContact CE2-CG2 4.24Å; F17-V41 HydrophobicContact CZ-CB 4.06Å; F17-V41 HydrophobicContact CZ-CG1 4.07Å; F17-V41 HydrophobicContact CZ-CG2 3.72Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.2Å; V37-V41 PolarHBondContact O-N 3.01Å; L38-V41 WeakPolarHBondContact O-CB 3.4Å; L38-V41 PolarHBondContact O-N 2.91Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 2.89Å; V41-L102 HydrophobicContact CB-CD2 4.35Å; V41-L102 HydrophobicContact CG2-CD2 3.99Å; V41-L105 HydrophobicContact CG1-CB 3.98Å; V41-L105 HydrophobicContact CG1-CD1 4.13Å; V41-L106 HydrophobicContact CG1-CD2 4.03Å; V41-L106 HydrophobicContact CG1-CG 4.49Å; V41-L106 HydrophobicContact CG2-CD2 3.99Å
42L85Confident83.2Confident0 Ų044.4 Ų44.40%022%0.219CC..Hα-helixtrans-70.7-39.8175.7-71.3169000112.6L38 N39 D40 E44 I45 D46 H49 M65 F69 F72 L105L38-L42 HydrophobicContact CD1-CD1 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.34Å; L38-L42 WeakPolarHBondContact O-CG 3.43Å; L38-L42 PolarHBondContact O-N 3.31Å; N39-L42 CarbonylContact O-C 3.58Å; N39-L42 PolarHBondContact O-N 3.07Å; D40-L42 VanDerWaalsContact C-N 3.34Å; L42-E44 PolarHBondContact O-N 3.13Å; L42-I45 WeakPolarHBondContact O-CB 3.25Å; L42-I45 PolarHBondContact O-N 2.67Å; L42-D46 PolarHBondContact O-N 3.19Å; L42-H49 HydrophobicContact CB-CB 4.16Å; L42-M65 HydrophobicContact CD1-CE 3.94Å; L42-M65 HydrophobicContact CD1-CG 4.01Å; L42-M65 HydrophobicContact CD1-SD 4.17Å; L42-F69 HydrophobicContact CD1-CE1 4.24Å; L42-F69 HydrophobicContact CD1-CZ 4.16Å; L42-F69 HydrophobicContact CD2-CE1 3.95Å; L42-F72 HydrophobicContact CD2-CD2 4.28Å; L42-F72 HydrophobicContact CD2-CE2 3.71Å; L42-L105 HydrophobicContact CD2-CD1 3.88Å; L42-L105 HydrophobicContact CD2-CD2 4.16Å; L42-L105 HydrophobicContact CG-CD1 4.18Å
43G83.7Confident82.9Confident4 Ų441.8 Ų41.84%0.04120%0.203CC..Hα-helixtrans-63.6-29.7177.100000112.6N39 D40 D46N39-G43 PolarHBondContact O-N 3.39Å; D40-G43 PolarHBondContact O-N 2.95Å; G43-D46 CarbonylContact O-C 3.59Å
44E82.7Confident82.5Confident66 Ų6646.6 Ų46.631%0.30822%0.218SC..Hα-helixtrans-75.1-27.9172.7-174.858-151.300112.8P16 F17 D40 L42 K113P16-E44 HydrophobicContact CB-CG 4.11Å; P16-E44 WeakPolarHBondContact CB-OE1 3.14Å; P16-E44 HydrophobicContact CG-CG 3.47Å; P16-E44 VanDerWaalsContact CG-CG 3.47Å; P16-E44 WeakPolarHBondContact CG-OE1 3.44Å; F17-E44 HydrophobicContact CE1-CB 3.61Å; F17-E44 HydrophobicContact CE1-CG 3.83Å; F17-E44 HydrophobicContact CZ-CB 3.93Å; F17-E44 HydrophobicContact CZ-CG 3.92Å; D40-E44 WeakPolarHBondContact O-CB 3.24Å; D40-E44 PolarHBondContact O-N 3.35Å; L42-E44 PolarHBondContact O-N 3.13Å; E44-K113 WeakPolarHBondContact O-CE 3.3Å; E44-K113 PolarHBondContact O-NZ 3.49Å; E44-K113 IonicContact OE1-NZ 3.51Å; E44-K113 PolarHBondContact OE1-NZ 3.35Å
45I83.2Confident82.2Confident11 Ų1154.2 Ų54.26%0.05625%0.253CS..Hα-helixtrans-77.8-44.6175-66.9166.6000110.8V41 L42 F72 L105 L112 A116V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 2.89Å; L42-I45 WeakPolarHBondContact O-CB 3.25Å; L42-I45 PolarHBondContact O-N 2.67Å; I45-F72 HydrophobicContact CB-CZ 4.36Å; I45-F72 HydrophobicContact CG2-CE1 3.7Å; I45-F72 HydrophobicContact CG2-CE2 4.14Å; I45-F72 HydrophobicContact CG2-CZ 3.47Å; I45-F72 VanDerWaalsContact CG2-CZ 3.47Å; I45-L105 HydrophobicContact CD1-CB 4.49Å; I45-L105 HydrophobicContact CD1-CD2 3.99Å; I45-L112 HydrophobicContact CD1-CB 4.1Å; I45-L112 HydrophobicContact CD1-CD1 3.9Å; I45-L112 HydrophobicContact CG1-CB 4.4Å; I45-L112 HydrophobicContact CG2-CB 3.89Å; I45-A116 HydrophobicContact CG2-CB 4.1Å
46D81.8Confident81.8Confident24 Ų2455.7 Ų55.713%0.12826%0.26CS..  trans-139.1115.8178-177.28.7000110.2L42 G43 K48 H49 F72 A116L42-D46 PolarHBondContact O-N 3.19Å; G43-D46 CarbonylContact O-C 3.59Å; D46-K48 PolarHBondContact O-N 3.11Å; D46-K48 PolarHBondContact OD1-N 3.46Å; D46-H49 PolarHBondContact O-N 2.89Å; D46-H49 PolarHBondContact O-ND1 3.23Å; D46-H49 IonicContact OD2-CE1 3.13Å; D46-H49 PolarHBondContact OD2-CE1 3.03Å; D46-H49 VanDerWaalsContact OD2-CE1 3.31Å; D46-H49 IonicContact OD2-ND1 3.25Å; D46-F72 HydrophobicContact CB-CZ 4.46Å; D46-A116 HydrophobicContact CB-CB 4.11Å
47N80.8Confident81.7Confident134 Ų13457.2 Ų57.272%0.71727%0.273SS*.G310 helixtrans-53.1-23.8-177.5-75.2-15.1000113.6H49 K50N47-H49 PolarHBondContact O-N 3.02Å; N47-H49 VanDerWaalsContact O-N 3.17Å; N47-K50 PolarHBondContact O-N 2.58Å
48K78.9Confident81.4Confident144 Ų14460.2 Ų60.263%0.62629%0.292SS*.G310 helixtrans-59.9-21.1175.3-65.7-177.1179.8-176.20113.9D46D46-K48 PolarHBondContact O-N 3.11Å; D46-K48 PolarHBondContact OD1-N 3.46Å
49H78.9Confident81.2Confident16 Ų1664.7 Ų64.77%0.07432%0.316CS..G310 helixtrans-99.52.2-175.5-57.781.1000113.3N39 L42 D46 N47 I51 R64 A68N39-H49 PolarHBondContact ND2-O 3.44Å; N39-H49 VanDerWaalsContact ND2-O 3.07Å; N39-H49 PolarHBondContact OD1-O 3.21Å; L42-H49 HydrophobicContact CB-CB 4.16Å; D46-H49 PolarHBondContact O-N 2.89Å; D46-H49 PolarHBondContact O-ND1 3.23Å; D46-H49 IonicContact OD2-CE1 3.13Å; D46-H49 PolarHBondContact OD2-CE1 3.03Å; D46-H49 VanDerWaalsContact OD2-CE1 3.31Å; D46-H49 IonicContact OD2-ND1 3.25Å; N47-H49 PolarHBondContact O-N 3.02Å; N47-H49 VanDerWaalsContact O-N 3.17Å; H49-I51 PolarHBondContact O-N 2.87Å; H49-R64 PolarHBondContact CD2-NH1 2.9Å; H49-R64 VanDerWaalsContact CD2-NH1 3.26Å; H49-A68 WeakPolarHBondContact NE2-CB 3.42Å
50K79.5Confident81.1Confident166 Ų16671.3 Ų71.372%0.72235%0.345SS*.  trans-76.871.3179.7-165.5177.1-176.6174.50111.2N47N47-K50 PolarHBondContact O-N 2.58Å
51I79.8Confident81Confident56 Ų5669.5 Ų69.529%0.28734%0.335SS..  trans-124144-177.8-57.5170.2000107.7N39 H49N39-I51 PolarHBondContact ND2-O 3.48Å; H49-I51 PolarHBondContact O-N 2.87Å
52D79Confident80.7Confident73 Ų7369.4 Ų69.439%0.3934%0.335SS..  trans-75126.1168.2-170.6-25.9000108.4Q36 R54 E55Q36-D52 PolarHBondContact OE1-OD1 2.84Å; D52-R54 PolarHBondContact O-N 2.87Å; D52-R54 PolarHBondContact OD1-N 2.73Å; D52-E55 HydrophobicContact CB-CG 4.38Å; D52-E55 PolarHBondContact O-N 2.85Å
53I77.2Confident80.7Confident17 Ų1773.1 Ų73.19%0.08736%0.357CS..G310 helixtrans-59.1-23.5-177.6-68.5178.3000112L35 Q36 N39 E55 E56 M61L35-I53 HydrophobicContact CB-CD1 3.61Å; L35-I53 WeakPolarHBondContact O-CD1 3.4Å; Q36-I53 VanDerWaalsContact CA-CD1 3.46Å; Q36-I53 HydrophobicContact CB-CD1 4.34Å; Q36-I53 VanDerWaalsContact N-CD1 3.27Å; Q36-I53 VanDerWaalsContact OE1-CG1 3.28Å; N39-I53 HydrophobicContact CB-CD1 3.64Å; N39-I53 HydrophobicContact CB-CG1 3.83Å; I53-E55 PolarHBondContact O-N 3.43Å; I53-E56 PolarHBondContact O-N 2.9Å; I53-M61 HydrophobicContact CB-SD 4.25Å; I53-M61 HydrophobicContact CD1-SD 3.88Å; I53-M61 HydrophobicContact CG1-SD 3.87Å; I53-M61 HydrophobicContact CG2-CE 4.44Å; I53-M61 HydrophobicContact CG2-SD 3.5Å; I53-M61 WeakPolarHBondContact CG2-SD 3.4Å
54R76.1Confident80.7Confident178 Ų17874.3 Ų74.367%0.67236%0.36SS*.G310 helixtrans-68.5-19.5177.6-63.7179.3178.6-173.11.9113.6D52D52-R54 PolarHBondContact O-N 2.87Å; D52-R54 PolarHBondContact OD1-N 2.73Å
55E79.7Confident80.7Confident161 Ų16171.2 Ų71.275%0.75235%0.346SS*.G310 helixtrans-87.4-18.3-179.8-63.2-172.5161.400113.2D52 I53D52-E55 HydrophobicContact CB-CG 4.38Å; D52-E55 PolarHBondContact O-N 2.85Å; I53-E55 PolarHBondContact O-N 3.43Å
56E79.2Confident80.6Confident39 Ų3972.6 Ų72.618%0.18235%0.351CS..SBendtrans-110.2133.1-173.5-165.4176.6-168.100111.1I53 K60 M61 R64I53-E56 PolarHBondContact O-N 2.9Å; E56-K60 HydrophobicContact CG-CB 3.87Å; E56-K60 VanDerWaalsContact OE1-C 3.26Å; E56-K60 WeakPolarHBondContact OE1-CB 3.43Å; E56-M61 HydrophobicContact CG-CB 4.31Å; E56-M61 PolarHBondContact OE1-N 2.84Å; E56-R64 IonicContact OE1-NE 2.7Å; E56-R64 IonicContact OE2-CZ 2.76Å; E56-R64 VanDerWaalsContact OE2-CZ 3.25Å; E56-R64 IonicContact OE2-NE 3.39Å; E56-R64 PolarHBondContact OE2-NE 3.09Å; E56-R64 IonicContact OE2-NH2 3.98Å; E56-R64 PolarHBondContact OE2-NH2 3.44Å
57P83.3Confident80.6Confident65 Ų6577.5 Ų77.542%0.42237%0.373SS..  trans-63.1142.3173.925.8-32.6000110.1D59 K60 M61P57-D59 PolarHBondContact O-N 3.3Å; P57-K60 HydrophobicContact CG-CB 3.95Å; P57-K60 HydrophobicContact CG-CD 3.66Å; P57-K60 HydrophobicContact CG-CG 3.76Å; P57-K60 PolarHBondContact O-N 2.99Å; P57-M61 PolarHBondContact O-N 3.03Å; P57-M61 VanDerWaalsContact O-N 3.1Å
58P79Confident80.7Confident67 Ų6771.3 Ų71.344%0.43534%0.341SS..Hα-helixtrans-58-30.8-169.920.5-32.7000113.5A62 V91P58-A62 WeakPolarHBondContact O-CB 3.45Å; P58-A62 PolarHBondContact O-N 3.29Å; P58-V91 HydrophobicContact CB-CG1 3.87Å
59D80.9Confident80.8Confident94 Ų9464.4 Ų64.450%0.50331%0.311SS..Hα-helixtrans-67.8-41.8176-74.8-50.1000113.2P57 A62 V63 R87P57-D59 PolarHBondContact O-N 3.3Å; D59-A62 PolarHBondContact O-N 2.89Å; D59-V63 WeakPolarHBondContact O-CG2 3.48Å; D59-V63 PolarHBondContact O-N 3.46Å; D59-V63 VanDerWaalsContact O-N 3.15Å; D59-R87 IonicContact OD1-NH2 3.87Å; D59-R87 PolarHBondContact OD1-NH2 3.45Å
60K83.5Confident80.9Confident139 Ų13973.3 Ų73.360%0.60434%0.344SS*.Hα-helixtrans-69-41.2177-70.5-173.2-176.3179.90110.7E56 P57 A62 V63 R64E56-K60 HydrophobicContact CG-CB 3.87Å; E56-K60 VanDerWaalsContact OE1-C 3.26Å; E56-K60 WeakPolarHBondContact OE1-CB 3.43Å; P57-K60 HydrophobicContact CG-CB 3.95Å; P57-K60 HydrophobicContact CG-CD 3.66Å; P57-K60 HydrophobicContact CG-CG 3.76Å; P57-K60 PolarHBondContact O-N 2.99Å; K60-A62 VanDerWaalsContact C-N 3.33Å; K60-A62 PolarHBondContact O-N 3.42Å; K60-V63 PolarHBondContact O-N 3.11Å; K60-R64 WeakPolarHBondContact O-CB 3.44Å; K60-R64 PolarHBondContact O-N 3.38Å
61M82.6Confident80.9Confident4 Ų468.3 Ų68.32%0.0233%0.327CS..Hα-helixtrans-56.6-47173.7177.1-170.866.600111.3L35 I53 E56 P57 V63 R64 M65L35-M61 HydrophobicContact CD1-CE 4.4Å; I53-M61 HydrophobicContact CB-SD 4.25Å; I53-M61 HydrophobicContact CD1-SD 3.88Å; I53-M61 HydrophobicContact CG1-SD 3.87Å; I53-M61 HydrophobicContact CG2-CE 4.44Å; I53-M61 HydrophobicContact CG2-SD 3.5Å; I53-M61 WeakPolarHBondContact CG2-SD 3.4Å; E56-M61 HydrophobicContact CG-CB 4.31Å; E56-M61 PolarHBondContact OE1-N 2.84Å; P57-M61 PolarHBondContact O-N 3.03Å; P57-M61 VanDerWaalsContact O-N 3.1Å; M61-V63 PolarHBondContact O-N 3.02Å; M61-R64 PolarHBondContact O-N 3.17Å; M61-M65 HydrophobicContact CG-CE 4.11Å; M61-M65 HydrophobicContact CG-CG 4.43Å; M61-M65 HydrophobicContact CG-SD 4.28Å; M61-M65 WeakPolarHBondContact O-CB 3.23Å; M61-M65 WeakPolarHBondContact O-CG 3.45Å; M61-M65 PolarHBondContact O-N 3.15Å; M61-M65 HydrophobicContact SD-CE 4.19Å
62A80.9Confident81Confident0 Ų065.7 Ų65.70%031%0.314CS..Hα-helixtrans-59.7-48.417900000111P58 D59 K60 R64 M65 F66 V91P58-A62 WeakPolarHBondContact O-CB 3.45Å; P58-A62 PolarHBondContact O-N 3.29Å; D59-A62 PolarHBondContact O-N 2.89Å; K60-A62 VanDerWaalsContact C-N 3.33Å; K60-A62 PolarHBondContact O-N 3.42Å; A62-R64 PolarHBondContact O-N 3.5Å; A62-M65 PolarHBondContact O-N 3.31Å; A62-F66 HydrophobicContact CB-CD2 4.45Å; A62-F66 HydrophobicContact CB-CE2 4.39Å; A62-F66 WeakPolarHBondContact O-CD2 3.3Å; A62-F66 PolarHBondContact O-N 3Å; A62-V91 HydrophobicContact CB-CG2 4.22Å
63V84Confident80.9Confident77 Ų7771.5 Ų71.547%0.46733%0.33SS..Hα-helixtrans-58.9-47.4178.3174.30000111.4D59 K60 M61 M65 F66 E67D59-V63 WeakPolarHBondContact O-CG2 3.48Å; D59-V63 PolarHBondContact O-N 3.46Å; D59-V63 VanDerWaalsContact O-N 3.15Å; K60-V63 PolarHBondContact O-N 3.11Å; M61-V63 PolarHBondContact O-N 3.02Å; V63-M65 PolarHBondContact O-N 3.44Å; V63-F66 WeakPolarHBondContact O-CB 3.5Å; V63-F66 PolarHBondContact O-N 3.44Å; V63-E67 PolarHBondContact O-N 3.04Å
64R84.7Confident80.9Confident30 Ų3072.7 Ų72.711%0.11333%0.334CS..Hα-helixtrans-58.8-47.1176.9-179.9177.458.581.80.3111.8N39 H49 E56 K60 M61 A62 F66 E67 A68N39-R64 PolarHBondContact OD1-NH1 3.44Å; N39-R64 PolarHBondContact OD1-NH2 2.89Å; H49-R64 PolarHBondContact CD2-NH1 2.9Å; H49-R64 VanDerWaalsContact CD2-NH1 3.26Å; E56-R64 IonicContact OE1-NE 2.7Å; E56-R64 IonicContact OE2-CZ 2.76Å; E56-R64 VanDerWaalsContact OE2-CZ 3.25Å; E56-R64 IonicContact OE2-NE 3.39Å; E56-R64 PolarHBondContact OE2-NE 3.09Å; E56-R64 IonicContact OE2-NH2 3.98Å; E56-R64 PolarHBondContact OE2-NH2 3.44Å; K60-R64 WeakPolarHBondContact O-CB 3.44Å; K60-R64 PolarHBondContact O-N 3.38Å; M61-R64 PolarHBondContact O-N 3.17Å; A62-R64 PolarHBondContact O-N 3.5Å; R64-F66 VanDerWaalsContact C-N 3.35Å; R64-F66 PolarHBondContact O-N 3.13Å; R64-E67 PolarHBondContact O-N 3.39Å; R64-A68 PolarHBondContact O-N 3.1Å
65M81.6Confident80.7Confident0 Ų073.3 Ų73.30%034%0.342CS..Hα-helixtrans-64-37.6176.6-73.2-169.1172.100112.2L38 N39 L42 M61 A62 V63 A68 F69 L90L38-M65 HydrophobicContact CD2-CE 4.48Å; L38-M65 HydrophobicContact CD2-SD 4.34Å; L38-M65 HydrophobicContact CG-CE 4.48Å; N39-M65 HydrophobicContact CB-CE 3.74Å; L42-M65 HydrophobicContact CD1-CE 3.94Å; L42-M65 HydrophobicContact CD1-CG 4.01Å; L42-M65 HydrophobicContact CD1-SD 4.17Å; M61-M65 HydrophobicContact CG-CE 4.11Å; M61-M65 HydrophobicContact CG-CG 4.43Å; M61-M65 HydrophobicContact CG-SD 4.28Å; M61-M65 WeakPolarHBondContact O-CB 3.23Å; M61-M65 WeakPolarHBondContact O-CG 3.45Å; M61-M65 PolarHBondContact O-N 3.15Å; M61-M65 HydrophobicContact SD-CE 4.19Å; A62-M65 PolarHBondContact O-N 3.31Å; V63-M65 PolarHBondContact O-N 3.44Å; M65-A68 WeakPolarHBondContact O-CB 3.49Å; M65-A68 PolarHBondContact O-N 3.1Å; M65-F69 HydrophobicContact CB-CD2 4.41Å; M65-F69 HydrophobicContact CB-CE2 3.92Å; M65-F69 HydrophobicContact CB-CZ 4.4Å; M65-F69 WeakPolarHBondContact O-CB 3.29Å; M65-F69 WeakPolarHBondContact O-CD2 3.39Å; M65-F69 WeakPolarHBondContact O-CG 3.46Å; M65-F69 PolarHBondContact O-N 3.03Å; M65-L90 HydrophobicContact CB-CD2 4.02Å; M65-L90 HydrophobicContact SD-CD1 3.9Å; M65-L90 HydrophobicContact SD-CD2 4.03Å; M65-L90 HydrophobicContact SD-CG 4.19Å
66F81.9Confident80.2Confident40 Ų4068.2 Ų68.218%0.17532%0.319CS..Hα-helixtrans-63.1-42.5174.8-85.1-68.5000112.3A62 V63 R64 F69 R70 L76 F86 R87A62-F66 HydrophobicContact CB-CD2 4.45Å; A62-F66 HydrophobicContact CB-CE2 4.39Å; A62-F66 WeakPolarHBondContact O-CD2 3.3Å; A62-F66 PolarHBondContact O-N 3Å; V63-F66 WeakPolarHBondContact O-CB 3.5Å; V63-F66 PolarHBondContact O-N 3.44Å; R64-F66 VanDerWaalsContact C-N 3.35Å; R64-F66 PolarHBondContact O-N 3.13Å; F66-F69 PolarHBondContact O-N 3.06Å; F66-R70 WeakPolarHBondContact O-CB 3.31Å; F66-R70 PolarHBondContact O-N 2.96Å; F66-L76 HydrophobicContact CD1-CD2 3.49Å; F66-L76 VanDerWaalsContact CD1-CD2 3.49Å; F66-L76 HydrophobicContact CE1-CD2 3.34Å; F66-F86 AromaticContact CE1-CD1 3.88Å; F66-F86 HydrophobicContact CE1-CD1 3.88Å; F66-F86 AromaticContact CE1-CE1 4Å; F66-F86 HydrophobicContact CE1-CE1 4Å; F66-F86 AromaticContact CZ-CD1 3.88Å; F66-F86 HydrophobicContact CZ-CD1 3.88Å; F66-F86 HydrophobicContact CZ-CE1 4.23Å; F66-R87 HydrophobicContact CE2-CB 4.12Å; F66-R87 HydrophobicContact CE2-CG 4.06Å; F66-R87 HydrophobicContact CZ-CB 4Å; F66-R87 HydrophobicContact CZ-CG 4.44Å
67E81Confident79.5Confident127 Ų12768.4 Ų68.459%0.59332%0.323SS*.Hα-helixtrans-61.7-44.3174-71.8-178.1173.600111.2V63 R64 F69 R70 V71V63-E67 PolarHBondContact O-N 3.04Å; R64-E67 PolarHBondContact O-N 3.39Å; E67-F69 PolarHBondContact O-N 3.33Å; E67-R70 WeakPolarHBondContact O-CB 2.79Å; E67-R70 PolarHBondContact O-N 2.96Å; E67-V71 WeakPolarHBondContact O-CG2 3.4Å; E67-V71 PolarHBondContact O-N 3.04Å
68A82Confident78.4Confident4 Ų470.1 Ų70.13%0.03334%0.343CS..Hα-helixtrans-58.9-48.6175.200000111.7H49 R64 M65 R70 V71 F72H49-A68 WeakPolarHBondContact NE2-CB 3.42Å; R64-A68 PolarHBondContact O-N 3.1Å; M65-A68 WeakPolarHBondContact O-CB 3.49Å; M65-A68 PolarHBondContact O-N 3.1Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 3Å; A68-V71 PolarHBondContact O-N 3.34Å; A68-F72 HydrophobicContact CB-CD2 4.39Å; A68-F72 HydrophobicContact CB-CE2 3.91Å; A68-F72 HydrophobicContact CB-CZ 4.49Å; A68-F72 WeakPolarHBondContact O-CB 3.4Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 WeakPolarHBondContact O-CG 3.48Å; A68-F72 PolarHBondContact O-N 3.09Å
69F83Confident78Confident0 Ų071 Ų710%034%0.344CS..Hα-helixtrans-63.2-33.8177.8-65.7-36.8000112.7L42 M65 F66 E67 F72 R73 Y74 L90 L101 L105L42-F69 HydrophobicContact CD1-CE1 4.24Å; L42-F69 HydrophobicContact CD1-CZ 4.16Å; L42-F69 HydrophobicContact CD2-CE1 3.95Å; M65-F69 HydrophobicContact CB-CD2 4.41Å; M65-F69 HydrophobicContact CB-CE2 3.92Å; M65-F69 HydrophobicContact CB-CZ 4.4Å; M65-F69 WeakPolarHBondContact O-CB 3.29Å; M65-F69 WeakPolarHBondContact O-CD2 3.39Å; M65-F69 WeakPolarHBondContact O-CG 3.46Å; M65-F69 PolarHBondContact O-N 3.03Å; F66-F69 PolarHBondContact O-N 3.06Å; E67-F69 PolarHBondContact O-N 3.33Å; F69-F72 PolarHBondContact O-N 2.87Å; F69-R73 PolarHBondContact O-N 3.49Å; F69-Y74 PolarHBondContact O-N 2.93Å; F69-L90 HydrophobicContact CE2-CD2 4.32Å; F69-L101 HydrophobicContact CE1-CD1 4.03Å; F69-L101 HydrophobicContact CE1-CD2 3.8Å; F69-L101 HydrophobicContact CE1-CG 4.29Å; F69-L101 HydrophobicContact CE2-CD1 3.92Å; F69-L101 HydrophobicContact CZ-CD1 3.64Å; F69-L101 HydrophobicContact CZ-CD2 3.61Å; F69-L101 HydrophobicContact CZ-CG 4.18Å; F69-L105 HydrophobicContact CE1-CD1 4.33Å
70R80.1Confident77.5Confident203 Ų20371 Ų7177%0.76635%0.352SS*.Hα-helixtrans-65.4-44.5173.4-172.5179.2-179.8-174.6-0111.3F66 E67 A68 F72 R73F66-R70 WeakPolarHBondContact O-CB 3.31Å; F66-R70 PolarHBondContact O-N 2.96Å; E67-R70 WeakPolarHBondContact O-CB 2.79Å; E67-R70 PolarHBondContact O-N 2.96Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 3Å; R70-F72 VanDerWaalsContact C-N 3.35Å; R70-R73 PolarHBondContact O-N 3.29Å
71V80.3Confident76.9Confident61 Ų6172 Ų7237%0.3736%0.359SS..Hα-helixtrans-62.5-42.5174.7172.40000111.1E67 A68 R73 A119E67-V71 WeakPolarHBondContact O-CG2 3.4Å; E67-V71 PolarHBondContact O-N 3.04Å; A68-V71 PolarHBondContact O-N 3.34Å; V71-R73 PolarHBondContact O-N 3.24Å; V71-A119 HydrophobicContact CG1-CB 3.34Å
72F82.1Confident76.3Confident1 Ų177.2 Ų77.20%0.00438%0.381CS..Hα-helixtrans-72.3-11.2178.1-61.4-27.1000114L42 I45 D46 A68 F69 R70 Y74 W104 L112 R115 A116L42-F72 HydrophobicContact CD2-CD2 4.28Å; L42-F72 HydrophobicContact CD2-CE2 3.71Å; I45-F72 HydrophobicContact CB-CZ 4.36Å; I45-F72 HydrophobicContact CG2-CE1 3.7Å; I45-F72 HydrophobicContact CG2-CE2 4.14Å; I45-F72 HydrophobicContact CG2-CZ 3.47Å; I45-F72 VanDerWaalsContact CG2-CZ 3.47Å; D46-F72 HydrophobicContact CB-CZ 4.46Å; A68-F72 HydrophobicContact CB-CD2 4.39Å; A68-F72 HydrophobicContact CB-CE2 3.91Å; A68-F72 HydrophobicContact CB-CZ 4.49Å; A68-F72 WeakPolarHBondContact O-CB 3.4Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 WeakPolarHBondContact O-CG 3.48Å; A68-F72 PolarHBondContact O-N 3.09Å; F69-F72 PolarHBondContact O-N 2.87Å; R70-F72 VanDerWaalsContact C-N 3.35Å; F72-Y74 VanDerWaalsContact C-N 3.35Å; F72-W104 HydrophobicContact CB-CH2 4.25Å; F72-W104 HydrophobicContact CB-CZ3 4.35Å; F72-L112 HydrophobicContact CB-CD2 3.78Å; F72-L112 HydrophobicContact CD1-CD2 4.3Å; F72-L112 HydrophobicContact CG-CD2 4.08Å; F72-R115 PolarHBondContact O-NH1 2.98Å; F72-A116 HydrophobicContact CE1-CB 3.83Å; F72-A116 HydrophobicContact CZ-CB 4.49Å
73R76.8Confident75.9Confident194 Ų19480.6 Ų80.673%0.73240%0.399SS*.THydrogen-bonded Turntrans56.844.4-173.1-57.8-172.6174.7-165.7-1.2112.6F69 R70 V71F69-R73 PolarHBondContact O-N 3.49Å; R70-R73 PolarHBondContact O-N 3.29Å; V71-R73 PolarHBondContact O-N 3.24Å
74Y76.9Confident75.5Confident43 Ų4380.3 Ų80.317%0.16940%0.401CS..  trans-66.8134.4165.6-173.5-109.5000109.2F69 F72 L76 F86 L101 W104F69-Y74 PolarHBondContact O-N 2.93Å; F72-Y74 VanDerWaalsContact C-N 3.35Å; Y74-L76 PolarHBondContact O-N 2.94Å; Y74-F86 HydrophobicContact CE1-CE2 4.31Å; Y74-F86 HydrophobicContact CE1-CZ 4.24Å; Y74-L101 HydrophobicContact CE1-CD1 4.13Å; Y74-W104 AromaticContact CD2-CD2 3.46Å; Y74-W104 HydrophobicContact CD2-CD2 3.46Å; Y74-W104 VanDerWaalsContact CD2-CD2 3.46Å; Y74-W104 AromaticContact CD2-CE2 3.74Å; Y74-W104 AromaticContact CD2-CE3 3.46Å; Y74-W104 HydrophobicContact CD2-CE3 3.46Å; Y74-W104 VanDerWaalsContact CD2-CE3 3.46Å; Y74-W104 AromaticContact CD2-CG 3.99Å; Y74-W104 HydrophobicContact CD2-CG 3.99Å; Y74-W104 HydrophobicContact CD2-CH2 4Å; Y74-W104 HydrophobicContact CD2-CZ2 4.01Å; Y74-W104 AromaticContact CD2-CZ3 3.74Å; Y74-W104 HydrophobicContact CD2-CZ3 3.74Å; Y74-W104 HydrophobicContact CE2-CB 4.09Å; Y74-W104 AromaticContact CE2-CD2 3.81Å; Y74-W104 HydrophobicContact CE2-CD2 3.81Å; Y74-W104 HydrophobicContact CE2-CE3 4.06Å; Y74-W104 AromaticContact CE2-CG 3.8Å; Y74-W104 HydrophobicContact CE2-CG 3.8Å; Y74-W104 HydrophobicContact CG-CE3 4.41Å; Y74-W104 HydrophobicContact CG-CH2 4.5Å; Y74-W104 HydrophobicContact CG-CZ3 4.32Å
75K71.3Confident75.1Confident191 Ų19183.9 Ų83.983%0.8342%0.421SS*.  trans-75.292.8177-71-173.3178.4-175.90108.6
76L68.1Low75Confident54 Ų5484.5 Ų84.528%0.28342%0.424SS..  trans-62.2139.8169.5-68.7125000109.4F66 Y74 A78 F86F66-L76 HydrophobicContact CD1-CD2 3.49Å; F66-L76 VanDerWaalsContact CD1-CD2 3.49Å; F66-L76 HydrophobicContact CE1-CD2 3.34Å; Y74-L76 PolarHBondContact O-N 2.94Å; L76-A78 PolarHBondContact O-N 3.26Å; L76-F86 HydrophobicContact CD2-CD1 4.49Å; L76-F86 HydrophobicContact CD2-CE1 4.26Å
77P65.5Low74.8Confident42 Ų4288.2 Ų88.227%0.27344%0.437SS..  trans-54.2130.8175.3-2534.1000111.1K82P77-K82 HydrophobicContact CB-CB 3.68Å; P77-K82 HydrophobicContact CB-CD 4.48Å; P77-K82 HydrophobicContact CG-CB 4.45Å
78A61Low74.8Confident102 Ų10288 Ų8884%0.84344%0.436SS*.SBendtrans-73.2-26.5-176.600000113.4L76 S80L76-A78 PolarHBondContact O-N 3.26Å; A78-S80 PolarHBondContact O-N 2.93Å
79D69.4Low74.7Confident84 Ų8488 Ų8845%0.44944%0.437SS..SBendtrans-74.3126.6-178.7-56.4-33.6000110.2E81 K82 L83D79-E81 VanDerWaalsContact C-N 3.25Å; D79-E81 PolarHBondContact O-N 3.44Å; D79-K82 HydrophobicContact CB-CB 4.12Å; D79-K82 HydrophobicContact CB-CD 4.03Å; D79-K82 HydrophobicContact CB-CG 4.01Å; D79-K82 PolarHBondContact O-N 3.28Å; D79-K82 WeakPolarHBondContact OD2-CD 3.5Å; D79-K82 VanDerWaalsContact OD2-CE 3.25Å; D79-K82 WeakPolarHBondContact OD2-CE 3.38Å; D79-K82 IonicContact OD2-NZ 3.58Å; D79-K82 PolarHBondContact OD2-NZ 3.03Å; D79-L83 PolarHBondContact O-N 3.23Å
80S70.2Confident74.6Confident96 Ų9688.1 Ų88.167%0.67144%0.437SS*.Hα-helixtrans-55.9-38.4-177.9-179.50000112.7A78 L83 S84A78-S80 PolarHBondContact O-N 2.93Å; S80-L83 PolarHBondContact O-N 2.99Å; S80-S84 PolarHBondContact O-N 3.01Å; S80-S84 PolarHBondContact O-OG 3.22Å
81E71.1Confident74.7Confident160 Ų16080.8 Ų80.875%0.74842%0.415SS*.Hα-helixtrans-65-43.5175.4-65.8-177.317200112.2D79 L83 S84 L85D79-E81 VanDerWaalsContact C-N 3.25Å; D79-E81 PolarHBondContact O-N 3.44Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 3.11Å; E81-S84 PolarHBondContact O-N 3.45Å; E81-L85 WeakPolarHBondContact O-CB 3.3Å; E81-L85 WeakPolarHBondContact O-CG 3.04Å; E81-L85 PolarHBondContact O-N 3.07Å
82K69.8Low74.7Confident113 Ų11381.7 Ų81.749%0.49142%0.42SS..Hα-helixtrans-68.1-31.1177-66.7-179.6-174.41530111.7P77 D79 F86P77-K82 HydrophobicContact CB-CB 3.68Å; P77-K82 HydrophobicContact CB-CD 4.48Å; P77-K82 HydrophobicContact CG-CB 4.45Å; D79-K82 HydrophobicContact CB-CB 4.12Å; D79-K82 HydrophobicContact CB-CD 4.03Å; D79-K82 HydrophobicContact CB-CG 4.01Å; D79-K82 PolarHBondContact O-N 3.28Å; D79-K82 WeakPolarHBondContact OD2-CD 3.5Å; D79-K82 VanDerWaalsContact OD2-CE 3.25Å; D79-K82 WeakPolarHBondContact OD2-CE 3.38Å; D79-K82 IonicContact OD2-NZ 3.58Å; D79-K82 PolarHBondContact OD2-NZ 3.03Å; K82-F86 WeakPolarHBondContact O-CB 3.04Å; K82-F86 PolarHBondContact O-N 3.24Å
83L72.2Confident74.6Confident70 Ų7081.8 Ų81.837%0.36642%0.422SS..Hα-helixtrans-70.3-41175.2-157.1155.9000110.9D79 S80 E81 F86 R87D79-L83 PolarHBondContact O-N 3.23Å; S80-L83 PolarHBondContact O-N 2.99Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 3.11Å; L83-F86 PolarHBondContact O-N 3Å; L83-R87 PolarHBondContact O-N 2.9Å
84S76.1Confident75Confident72 Ų7275.8 Ų75.850%0.50340%0.404SS..Hα-helixtrans-62.7-44.7172.1-65.40000111.9S80 E81 F86 R87 Q88S80-S84 PolarHBondContact O-N 3.01Å; S80-S84 PolarHBondContact O-OG 3.22Å; E81-S84 PolarHBondContact O-N 3.45Å; S84-F86 VanDerWaalsContact C-N 3.33Å; S84-F86 PolarHBondContact O-N 2.9Å; S84-R87 PolarHBondContact O-N 3.4Å; S84-Q88 WeakPolarHBondContact O-CB 3.21Å; S84-Q88 PolarHBondContact O-N 3.5Å
85L76.7Confident75.3Confident105 Ų10577.2 Ų77.255%0.5541%0.411SS..Hα-helixtrans-63.6-37.5173.7-72169.9000112.1E81 Q88 G89E81-L85 WeakPolarHBondContact O-CB 3.3Å; E81-L85 WeakPolarHBondContact O-CG 3.04Å; E81-L85 PolarHBondContact O-N 3.07Å; L85-Q88 PolarHBondContact O-N 2.97Å; L85-G89 PolarHBondContact O-N 3.24Å
86F78.6Confident75.9Confident12 Ų1273.4 Ų73.45%0.05340%0.404CS..Hα-helixtrans-66.6-42175.6-175.6-91.2000111.6F66 Y74 L76 K82 L83 S84 G89 L90 I97 L101F66-F86 AromaticContact CE1-CD1 3.88Å; F66-F86 HydrophobicContact CE1-CD1 3.88Å; F66-F86 AromaticContact CE1-CE1 4Å; F66-F86 HydrophobicContact CE1-CE1 4Å; F66-F86 AromaticContact CZ-CD1 3.88Å; F66-F86 HydrophobicContact CZ-CD1 3.88Å; F66-F86 HydrophobicContact CZ-CE1 4.23Å; Y74-F86 HydrophobicContact CE1-CE2 4.31Å; Y74-F86 HydrophobicContact CE1-CZ 4.24Å; L76-F86 HydrophobicContact CD2-CD1 4.49Å; L76-F86 HydrophobicContact CD2-CE1 4.26Å; K82-F86 WeakPolarHBondContact O-CB 3.04Å; K82-F86 PolarHBondContact O-N 3.24Å; L83-F86 PolarHBondContact O-N 3Å; S84-F86 VanDerWaalsContact C-N 3.33Å; S84-F86 PolarHBondContact O-N 2.9Å; F86-G89 PolarHBondContact O-N 3.36Å; F86-L90 WeakPolarHBondContact O-CB 3.02Å; F86-L90 PolarHBondContact O-N 3.05Å; F86-I97 HydrophobicContact CD2-CG2 3.46Å; F86-I97 VanDerWaalsContact CD2-CG2 3.46Å; F86-I97 HydrophobicContact CE2-CG2 3.44Å; F86-I97 VanDerWaalsContact CE2-CG2 3.44Å; F86-I97 HydrophobicContact CG-CG2 4.36Å; F86-I97 HydrophobicContact CZ-CG2 4.31Å; F86-L101 HydrophobicContact CE2-CD1 4.01Å; F86-L101 HydrophobicContact CZ-CD1 3.53Å
87R78.3Confident76.6Confident119 Ų11972.5 Ų72.545%0.44940%0.399SS..Hα-helixtrans-62.4-44.9173.4-178.9174.5176.9-170-3.5111D59 F66 L83 S84 L90 V91D59-R87 IonicContact OD1-NH2 3.87Å; D59-R87 PolarHBondContact OD1-NH2 3.45Å; F66-R87 HydrophobicContact CE2-CB 4.12Å; F66-R87 HydrophobicContact CE2-CG 4.06Å; F66-R87 HydrophobicContact CZ-CB 4Å; F66-R87 HydrophobicContact CZ-CG 4.44Å; L83-R87 PolarHBondContact O-N 2.9Å; S84-R87 PolarHBondContact O-N 3.4Å; R87-L90 PolarHBondContact O-N 3.26Å; R87-V91 WeakPolarHBondContact O-CG2 3.15Å; R87-V91 PolarHBondContact O-N 3.46Å; R87-V91 VanDerWaalsContact O-N 3.15Å
88Q81.1Confident77.5Confident122 Ų12270.5 Ų70.557%0.5739%0.386SS*.Hα-helixtrans-62.9-46.7176.9-171.71766.500110.9S84 L85 L90 V91 T92S84-Q88 WeakPolarHBondContact O-CB 3.21Å; S84-Q88 PolarHBondContact O-N 3.5Å; L85-Q88 PolarHBondContact O-N 2.97Å; Q88-L90 VanDerWaalsContact C-N 3.35Å; Q88-L90 PolarHBondContact O-N 3.1Å; Q88-V91 PolarHBondContact O-N 2.97Å; Q88-V91 VanDerWaalsContact O-N 3.11Å; Q88-T92 HydrophobicContact CG-CG2 4.28Å; Q88-T92 WeakPolarHBondContact O-CG2 3.44Å; Q88-T92 PolarHBondContact O-N 3.44Å; Q88-T92 PolarHBondContact O-OG1 3.48Å; Q88-T92 VanDerWaalsContact O-OG1 3.07Å
89G79.2Confident78.7Confident5 Ų566.3 Ų66.35%0.05235%0.348CS..Hα-helixtrans-65.4-32.7179.400000114.4L85 F86 V91 T92 G93 D94L85-G89 PolarHBondContact O-N 3.24Å; F86-G89 PolarHBondContact O-N 3.36Å; G89-V91 VanDerWaalsContact C-N 3.35Å; G89-T92 WeakPolarHBondContact CA-OG1 3.32Å; G89-T92 PolarHBondContact O-OG1 2.96Å; G89-G93 WeakPolarHBondContact O-CA 3.48Å; G89-G93 PolarHBondContact O-N 3.35Å; G89-D94 PolarHBondContact O-N 3.05Å
90L81.6Confident79.4Confident1 Ų164.9 Ų64.91%0.00534%0.343CS..Hα-helixtrans-70.3-32.5172.6-169.767.7000111.8L35 L38 M65 F69 F86 R87 Q88L35-L90 HydrophobicContact CD2-CD1 4.29Å; L35-L90 WeakPolarHBondContact CD2-O 3.42Å; L38-L90 HydrophobicContact CD2-CD1 3.83Å; M65-L90 HydrophobicContact CB-CD2 4.02Å; M65-L90 HydrophobicContact SD-CD1 3.9Å; M65-L90 HydrophobicContact SD-CD2 4.03Å; M65-L90 HydrophobicContact SD-CG 4.19Å; F69-L90 HydrophobicContact CE2-CD2 4.32Å; F86-L90 WeakPolarHBondContact O-CB 3.02Å; F86-L90 PolarHBondContact O-N 3.05Å; R87-L90 PolarHBondContact O-N 3.26Å; Q88-L90 VanDerWaalsContact C-N 3.35Å; Q88-L90 PolarHBondContact O-N 3.1Å
91V81.6Confident80Confident50 Ų5060.3 Ų60.330%0.30331%0.312SS..Hα-helixtrans-78.1-39.9175.9170.60000111.5P58 A62 R87 Q88 G89P58-V91 HydrophobicContact CB-CG1 3.87Å; A62-V91 HydrophobicContact CB-CG2 4.22Å; R87-V91 WeakPolarHBondContact O-CG2 3.15Å; R87-V91 PolarHBondContact O-N 3.46Å; R87-V91 VanDerWaalsContact O-N 3.15Å; Q88-V91 PolarHBondContact O-N 2.97Å; Q88-V91 VanDerWaalsContact O-N 3.11Å; G89-V91 VanDerWaalsContact C-N 3.35Å
92T81.4Confident80.7Confident79 Ų7952.7 Ų52.749%0.48528%0.276SS..Hα-helixtrans-80.3-17-179.6580000113.5P31 Q88 G89P31-T92 VanDerWaalsContact CB-O 3.24Å; P31-T92 WeakPolarHBondContact CB-O 3.29Å; Q88-T92 HydrophobicContact CG-CG2 4.28Å; Q88-T92 WeakPolarHBondContact O-CG2 3.44Å; Q88-T92 PolarHBondContact O-N 3.44Å; Q88-T92 PolarHBondContact O-OG1 3.48Å; Q88-T92 VanDerWaalsContact O-OG1 3.07Å; G89-T92 WeakPolarHBondContact CA-OG1 3.32Å; G89-T92 PolarHBondContact O-OG1 2.96Å
93G80.3Confident81.3Confident3 Ų350.4 Ų50.43%0.03127%0.267CS..THydrogen-bonded Turntrans77.938-177.300000113.8G89 K95G89-G93 WeakPolarHBondContact O-CA 3.48Å; G89-G93 PolarHBondContact O-N 3.35Å; G93-K95 PolarHBondContact O-N 3.08Å
94D83.8Confident82Confident68 Ų6849.2 Ų49.236%0.36426%0.258SS..  trans-70.1127.3-176.3-172.15.2000112.2G89 V96 I97 I98G89-D94 PolarHBondContact O-N 3.05Å; D94-V96 PolarHBondContact O-N 2.77Å; D94-V96 PolarHBondContact OD1-N 2.82Å; D94-I97 PolarHBondContact O-N 2.83Å; D94-I98 WeakPolarHBondContact O-CG1 3.38Å; D94-I98 PolarHBondContact O-N 3.46Å
95K83.8Confident82.5Confident74 Ų7445.8 Ų45.832%0.32223%0.234SC..Hα-helixtrans-59.1-34.8-179.6-66.3-179.2175.3-171.90112.3D27 L34 G93 I97 Y99D27-K95 WeakPolarHBondContact O-CE 3.38Å; D27-K95 PolarHBondContact O-NZ 2.62Å; D27-K95 IonicContact OD1-NZ 2.81Å; D27-K95 PolarHBondContact OD1-NZ 3.35Å; L34-K95 HydrophobicContact CD2-CG 3.97Å; G93-K95 PolarHBondContact O-N 3.08Å; K95-I97 PolarHBondContact O-N 3.18Å; K95-Y99 HydrophobicContact CB-CD2 4.3Å; K95-Y99 HydrophobicContact CB-CE1 4.41Å; K95-Y99 HydrophobicContact CB-CE2 3.97Å; K95-Y99 HydrophobicContact CD-CE2 4.28Å; K95-Y99 HydrophobicContact CG-CE1 4.39Å; K95-Y99 HydrophobicContact CG-CE2 4.34Å; K95-Y99 WeakPolarHBondContact O-CB 3.47Å; K95-Y99 VanDerWaalsContact O-CG 3.3Å; K95-Y99 PolarHBondContact O-N 2.71Å
96V83.2Confident82.8Confident110 Ų11041.2 Ų41.267%0.66721%0.21SC*.Hα-helixtrans-63.4-31.9-177.8-176.70000111.5D94 P100D94-V96 PolarHBondContact O-N 2.77Å; D94-V96 PolarHBondContact OD1-N 2.82Å; V96-P100 WeakPolarHBondContact O-CD 3.28Å; V96-P100 VanDerWaalsContact O-CG 3.28Å; V96-P100 WeakPolarHBondContact O-CG 3.45Å
97I83.4Confident83.2Confident35 Ų3543.6 Ų43.618%0.17923%0.228CC..Hα-helixtrans-93.8-40.7-178.9-70.3161.3000111.1F86 D94 K95 P100 L101F86-I97 HydrophobicContact CD2-CG2 3.46Å; F86-I97 VanDerWaalsContact CD2-CG2 3.46Å; F86-I97 HydrophobicContact CE2-CG2 3.44Å; F86-I97 VanDerWaalsContact CE2-CG2 3.44Å; F86-I97 HydrophobicContact CG-CG2 4.36Å; F86-I97 HydrophobicContact CZ-CG2 4.31Å; D94-I97 PolarHBondContact O-N 2.83Å; K95-I97 PolarHBondContact O-N 3.18Å; I97-P100 WeakPolarHBondContact O-CD 3.34Å; I97-L101 WeakPolarHBondContact O-CB 3.33Å; I97-L101 PolarHBondContact O-N 3.5Å
98I84.2Confident83.5Confident1 Ų143.2 Ų43.21%0.00523%0.226CC..Hα-helixtrans-72.2-38.6-175.8-64.8173.4000112L34 L35 L38 D94 L101 L102L34-I98 HydrophobicContact CD1-CG2 3.97Å; L34-I98 HydrophobicContact CD2-CB 4.09Å; L34-I98 HydrophobicContact CD2-CD1 3.91Å; L34-I98 HydrophobicContact CD2-CG2 4.1Å; L34-I98 HydrophobicContact CG-CB 4.33Å; L34-I98 HydrophobicContact CG-CD1 3.96Å; L34-I98 HydrophobicContact CG-CG2 3.82Å; L35-I98 HydrophobicContact CD2-CD1 3.59Å; L35-I98 HydrophobicContact CD2-CG1 4.5Å; L35-I98 HydrophobicContact CG-CD1 3.97Å; L38-I98 HydrophobicContact CB-CG2 4.41Å; L38-I98 HydrophobicContact CD2-CG2 4.44Å; D94-I98 WeakPolarHBondContact O-CG1 3.38Å; D94-I98 PolarHBondContact O-N 3.46Å; I98-L101 PolarHBondContact O-N 3.27Å; I98-L102 HydrophobicContact CG2-CD1 3.68Å; I98-L102 HydrophobicContact CG2-CG 3.83Å; I98-L102 WeakPolarHBondContact O-CB 3.33Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 2.91Å
99Y86.4Confident83.6Confident14 Ų1438.9 Ų38.96%0.05521%0.207CC..Hα-helixtrans-63.2-49.1-177.1-69-9.4000113.3L5 I8 F26 D27 L34 K95 L101 L102 E103L5-Y99 HydrophobicContact CD1-CD2 4.22Å; L5-Y99 HydrophobicContact CD1-CE1 4.42Å; L5-Y99 HydrophobicContact CD1-CE2 3.76Å; I8-Y99 HydrophobicContact CD1-CG 4.49Å; I8-Y99 VanDerWaalsContact CD1-O 3.3Å; I8-Y99 WeakPolarHBondContact CD1-O 3.32Å; F26-Y99 HydrophobicContact CD1-CE1 4.4Å; F26-Y99 HydrophobicContact CE1-CD1 4.16Å; F26-Y99 AromaticContact CE1-CE1 3.6Å; F26-Y99 HydrophobicContact CE1-CE1 3.6Å; F26-Y99 HydrophobicContact CZ-CE1 4.24Å; D27-Y99 PolarHBondContact OD1-OH 3.41Å; L34-Y99 HydrophobicContact CD1-CD1 4.43Å; L34-Y99 HydrophobicContact CD1-CE1 3.92Å; L34-Y99 HydrophobicContact CD2-CD1 4.49Å; L34-Y99 HydrophobicContact CD2-CE1 3.95Å; K95-Y99 HydrophobicContact CB-CD2 4.3Å; K95-Y99 HydrophobicContact CB-CE1 4.41Å; K95-Y99 HydrophobicContact CB-CE2 3.97Å; K95-Y99 HydrophobicContact CD-CE2 4.28Å; K95-Y99 HydrophobicContact CG-CE1 4.39Å; K95-Y99 HydrophobicContact CG-CE2 4.34Å; K95-Y99 WeakPolarHBondContact O-CB 3.47Å; K95-Y99 VanDerWaalsContact O-CG 3.3Å; K95-Y99 PolarHBondContact O-N 2.71Å; Y99-L101 PolarHBondContact O-N 3.35Å; Y99-L102 PolarHBondContact O-N 2.99Å; Y99-E103 WeakPolarHBondContact O-CB 3.47Å; Y99-E103 PolarHBondContact O-N 3.11Å
100P84.6Confident83.8Confident53 Ų5342.6 Ų42.634%0.34423%0.232SC..Hα-helixtrans-60.6-32.9173.9-23.934.9000113V96 I97 W104V96-P100 WeakPolarHBondContact O-CD 3.28Å; V96-P100 VanDerWaalsContact O-CG 3.28Å; V96-P100 WeakPolarHBondContact O-CG 3.45Å; I97-P100 WeakPolarHBondContact O-CD 3.34Å; P100-W104 WeakPolarHBondContact O-CB 2.93Å; P100-W104 PolarHBondContact O-N 2.97Å
101L83Confident84Confident1 Ų147.4 Ų47.41%0.00526%0.255CS..Hα-helixtrans-73-43.3-179.9-167.8140.7000111.8L38 F69 Y74 F86 I97 I98 Y99 E103 W104 L105L38-L101 HydrophobicContact CD1-CD2 3.2Å; L38-L101 HydrophobicContact CD2-CD2 3.89Å; L38-L101 HydrophobicContact CG-CD2 4.17Å; F69-L101 HydrophobicContact CE1-CD1 4.03Å; F69-L101 HydrophobicContact CE1-CD2 3.8Å; F69-L101 HydrophobicContact CE1-CG 4.29Å; F69-L101 HydrophobicContact CE2-CD1 3.92Å; F69-L101 HydrophobicContact CZ-CD1 3.64Å; F69-L101 HydrophobicContact CZ-CD2 3.61Å; F69-L101 HydrophobicContact CZ-CG 4.18Å; Y74-L101 HydrophobicContact CE1-CD1 4.13Å; F86-L101 HydrophobicContact CE2-CD1 4.01Å; F86-L101 HydrophobicContact CZ-CD1 3.53Å; I97-L101 WeakPolarHBondContact O-CB 3.33Å; I97-L101 PolarHBondContact O-N 3.5Å; I98-L101 PolarHBondContact O-N 3.27Å; Y99-L101 PolarHBondContact O-N 3.35Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-W104 PolarHBondContact O-N 3.33Å; L101-L105 HydrophobicContact CD2-CD1 3.56Å; L101-L105 HydrophobicContact CD2-CG 4.19Å; L101-L105 WeakPolarHBondContact O-CB 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.02Å; L101-L105 PolarHBondContact O-N 2.91Å
102L84.6Confident84.2Confident0 Ų045.1 Ų45.10%024%0.241CC..Hα-helixtrans-59.8-45.2170.6-78.8176.3000111.1I8 F26 L34 L38 V41 I98 Y99 W104 L105 L106I8-L102 HydrophobicContact CD1-CB 4.11Å; I8-L102 HydrophobicContact CG1-CB 4.38Å; I8-L102 HydrophobicContact CG2-CB 4.45Å; I8-L102 HydrophobicContact CG2-CD1 4.4Å; F26-L102 HydrophobicContact CZ-CD1 3.96Å; L34-L102 HydrophobicContact CD1-CD1 4.06Å; L38-L102 HydrophobicContact CB-CD2 4.22Å; L38-L102 HydrophobicContact CD1-CD2 3.81Å; L38-L102 HydrophobicContact CD1-CG 4.33Å; V41-L102 HydrophobicContact CB-CD2 4.35Å; V41-L102 HydrophobicContact CG2-CD2 3.99Å; I98-L102 HydrophobicContact CG2-CD1 3.68Å; I98-L102 HydrophobicContact CG2-CG 3.83Å; I98-L102 WeakPolarHBondContact O-CB 3.33Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 2.91Å; Y99-L102 PolarHBondContact O-N 2.99Å; L102-W104 VanDerWaalsContact C-N 3.3Å; L102-W104 PolarHBondContact O-N 2.96Å; L102-L105 PolarHBondContact O-N 3.43Å; L102-L106 HydrophobicContact CB-CD1 4.4Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CD1 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.07Å
103E84.1Confident84.5Confident65 Ų6544.9 Ų44.930%0.30423%0.233SC..Hα-helixtrans-57.8-45176.1-177.2-176-14000111.3L4 I8 Y99 L101 S107L4-E103 WeakPolarHBondContact CD1-OE2 3.27Å; L4-E103 HydrophobicContact CG-CB 4.3Å; L4-E103 HydrophobicContact CG-CG 4.41Å; I8-E103 HydrophobicContact CD1-CB 4.34Å; I8-E103 HydrophobicContact CG1-CB 4.2Å; Y99-E103 WeakPolarHBondContact O-CB 3.47Å; Y99-E103 PolarHBondContact O-N 3.11Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-S107 WeakPolarHBondContact O-CB 3.03Å; E103-S107 PolarHBondContact O-N 3.24Å; E103-S107 PolarHBondContact O-OG 2.91Å
104W86.9Confident84.7Confident45 Ų4548.9 Ų48.917%0.1725%0.249CC..Hα-helixtrans-65.7-46.8180-174.587.1000112.5F72 Y74 P100 L101 L102 S107 R108 L112F72-W104 HydrophobicContact CB-CH2 4.25Å; F72-W104 HydrophobicContact CB-CZ3 4.35Å; Y74-W104 AromaticContact CD2-CD2 3.46Å; Y74-W104 HydrophobicContact CD2-CD2 3.46Å; Y74-W104 VanDerWaalsContact CD2-CD2 3.46Å; Y74-W104 AromaticContact CD2-CE2 3.74Å; Y74-W104 AromaticContact CD2-CE3 3.46Å; Y74-W104 HydrophobicContact CD2-CE3 3.46Å; Y74-W104 VanDerWaalsContact CD2-CE3 3.46Å; Y74-W104 AromaticContact CD2-CG 3.99Å; Y74-W104 HydrophobicContact CD2-CG 3.99Å; Y74-W104 HydrophobicContact CD2-CH2 4Å; Y74-W104 HydrophobicContact CD2-CZ2 4.01Å; Y74-W104 AromaticContact CD2-CZ3 3.74Å; Y74-W104 HydrophobicContact CD2-CZ3 3.74Å; Y74-W104 HydrophobicContact CE2-CB 4.09Å; Y74-W104 AromaticContact CE2-CD2 3.81Å; Y74-W104 HydrophobicContact CE2-CD2 3.81Å; Y74-W104 HydrophobicContact CE2-CE3 4.06Å; Y74-W104 AromaticContact CE2-CG 3.8Å; Y74-W104 HydrophobicContact CE2-CG 3.8Å; Y74-W104 HydrophobicContact CG-CE3 4.41Å; Y74-W104 HydrophobicContact CG-CH2 4.5Å; Y74-W104 HydrophobicContact CG-CZ3 4.32Å; P100-W104 WeakPolarHBondContact O-CB 2.93Å; P100-W104 PolarHBondContact O-N 2.97Å; L101-W104 PolarHBondContact O-N 3.33Å; L102-W104 VanDerWaalsContact C-N 3.3Å; L102-W104 PolarHBondContact O-N 2.96Å; W104-S107 PolarHBondContact O-N 3.41Å; W104-R108 PolarHBondContact O-N 3.25Å; W104-L112 HydrophobicContact CE3-CD1 4.36Å; W104-L112 HydrophobicContact CH2-CD2 3.87Å; W104-L112 HydrophobicContact CZ3-CD1 3.97Å; W104-L112 HydrophobicContact CZ3-CD2 4.04Å
105L85.8Confident84.8Confident0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-62.2-50.2177.3-71.1175.7000111.1L38 V41 L42 I45 F69 L101 L102 S107 R108 I109 L112L38-L105 HydrophobicContact CD1-CD1 3.53Å; V41-L105 HydrophobicContact CG1-CB 3.98Å; V41-L105 HydrophobicContact CG1-CD1 4.13Å; L42-L105 HydrophobicContact CD2-CD1 3.88Å; L42-L105 HydrophobicContact CD2-CD2 4.16Å; L42-L105 HydrophobicContact CG-CD1 4.18Å; I45-L105 HydrophobicContact CD1-CB 4.49Å; I45-L105 HydrophobicContact CD1-CD2 3.99Å; F69-L105 HydrophobicContact CE1-CD1 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.56Å; L101-L105 HydrophobicContact CD2-CG 4.19Å; L101-L105 WeakPolarHBondContact O-CB 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.02Å; L101-L105 PolarHBondContact O-N 2.91Å; L102-L105 PolarHBondContact O-N 3.43Å; L105-S107 PolarHBondContact O-N 3.44Å; L105-R108 CarbonylContact O-C 3.35Å; L105-R108 PolarHBondContact O-N 2.97Å; L105-R108 VanDerWaalsContact O-N 3.12Å; L105-I109 VanDerWaalsContact O-CG1 3.29Å; L105-I109 WeakPolarHBondContact O-CG1 3.48Å; L105-I109 PolarHBondContact O-N 3.49Å; L105-I109 VanDerWaalsContact O-N 3.13Å; L105-L112 HydrophobicContact CB-CD1 4.45Å; L105-L112 HydrophobicContact CD2-CD1 3.61Å
106L84Confident84.9Confident9 Ų946.7 Ų46.75%0.04724%0.235CC..Hα-helixtrans-66-27.8-177.8-67.3171.6000112.2I8 K11 L12 F17 V41 L102 R108 I109I8-L106 HydrophobicContact CB-CD1 4.32Å; I8-L106 HydrophobicContact CG1-CD1 4.42Å; I8-L106 HydrophobicContact CG2-CD1 3.9Å; K11-L106 HydrophobicContact CB-CB 4.07Å; K11-L106 HydrophobicContact CB-CD1 4.19Å; K11-L106 HydrophobicContact CB-CD2 4.43Å; K11-L106 HydrophobicContact CB-CG 4.47Å; K11-L106 HydrophobicContact CD-CB 3.73Å; K11-L106 WeakPolarHBondContact CD-O 3.43Å; L12-L106 HydrophobicContact CD2-CD1 4.04Å; L12-L106 HydrophobicContact CD2-CD2 4.03Å; L12-L106 HydrophobicContact CG-CD1 3.87Å; F17-L106 HydrophobicContact CD2-CD2 4.14Å; F17-L106 HydrophobicContact CE2-CD2 3.5Å; F17-L106 HydrophobicContact CZ-CD2 4.2Å; V41-L106 HydrophobicContact CG1-CD2 4.03Å; V41-L106 HydrophobicContact CG1-CG 4.49Å; V41-L106 HydrophobicContact CG2-CD2 3.99Å; L102-L106 HydrophobicContact CB-CD1 4.4Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CD1 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.07Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-I109 HydrophobicContact CD2-CD1 3.88Å
107S85.2Confident85Confident61 Ų6146.9 Ų46.943%0.42723%0.225SC..Hα-helixtrans-73.9-21.9175.6-60.40000114.4K11 E103 W104 L105K11-S107 VanDerWaalsContact NZ-CA 3.27Å; K11-S107 PolarHBondContact NZ-OG 3.02Å; E103-S107 WeakPolarHBondContact O-CB 3.03Å; E103-S107 PolarHBondContact O-N 3.24Å; E103-S107 PolarHBondContact O-OG 2.91Å; W104-S107 PolarHBondContact O-N 3.41Å; L105-S107 PolarHBondContact O-N 3.44Å
108R84.5Confident85.2Confident111 Ų11147.1 Ų47.142%0.41923%0.226SC..SBendtrans-126.320.2-172.6-62-175.7-175.3-173.4-1.8113.4W104 L105 L106 S110 E111 L112W104-R108 PolarHBondContact O-N 3.25Å; L105-R108 CarbonylContact O-C 3.35Å; L105-R108 PolarHBondContact O-N 2.97Å; L105-R108 VanDerWaalsContact O-N 3.12Å; L106-R108 VanDerWaalsContact C-N 3.33Å; R108-S110 VanDerWaalsContact C-N 3.26Å; R108-S110 PolarHBondContact O-N 3.21Å; R108-S110 VanDerWaalsContact O-N 3.1Å; R108-E111 HydrophobicContact CB-CB 4.46Å; R108-E111 PolarHBondContact O-N 3.19Å; R108-L112 HydrophobicContact CB-CD1 4.15Å; R108-L112 HydrophobicContact CB-CG 4.02Å; R108-L112 WeakPolarHBondContact O-CB 3.02Å; R108-L112 VanDerWaalsContact O-CG 3.28Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 3.14Å
109I84.7Confident85.2Confident31 Ų3148 Ų4816%0.15923%0.234CC..Hα-helixtrans-47.3-47.1-175.3-60.4170000112.1F17 L105 L106 L112 K113F17-I109 HydrophobicContact CE2-CD1 3.86Å; F17-I109 HydrophobicContact CZ-CD1 4.49Å; L105-I109 VanDerWaalsContact O-CG1 3.29Å; L105-I109 WeakPolarHBondContact O-CG1 3.48Å; L105-I109 PolarHBondContact O-N 3.49Å; L105-I109 VanDerWaalsContact O-N 3.13Å; L106-I109 HydrophobicContact CD2-CD1 3.88Å; I109-L112 PolarHBondContact O-N 3.02Å; I109-K113 HydrophobicContact CG2-CD 4.1Å; I109-K113 HydrophobicContact CG2-CG 4.28Å; I109-K113 WeakPolarHBondContact O-CB 2.94Å; I109-K113 WeakPolarHBondContact O-CG 3.4Å; I109-K113 PolarHBondContact O-N 2.93Å
110S83.9Confident85.1Confident84 Ų8452.2 Ų52.259%0.58725%0.254SS*.Hα-helixtrans-63.5-44.7-179.2-172.40000112.6R108 L112 K114R108-S110 VanDerWaalsContact C-N 3.26Å; R108-S110 PolarHBondContact O-N 3.21Å; R108-S110 VanDerWaalsContact O-N 3.1Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-K114 WeakPolarHBondContact O-CG 3.47Å; S110-K114 PolarHBondContact O-N 3.49Å; S110-K114 VanDerWaalsContact O-N 3.1Å
111E84.8Confident85Confident102 Ų10254.1 Ų54.148%0.47726%0.257SS..Hα-helixtrans-65.5-40.2176.3-62-178.2-179.900111.6R108 K114 R115R108-E111 HydrophobicContact CB-CB 4.46Å; R108-E111 PolarHBondContact O-N 3.19Å; E111-K114 WeakPolarHBondContact O-CB 3.39Å; E111-K114 PolarHBondContact O-N 3.34Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 3.12Å
112L86.5Confident85.1Confident1 Ų156.8 Ų56.81%0.00527%0.271CS..Hα-helixtrans-69-40.5-179.8-66.3178.6000111.5I45 F72 W104 L105 R108 I109 S110 K114 R115 A116I45-L112 HydrophobicContact CD1-CB 4.1Å; I45-L112 HydrophobicContact CD1-CD1 3.9Å; I45-L112 HydrophobicContact CG1-CB 4.4Å; I45-L112 HydrophobicContact CG2-CB 3.89Å; F72-L112 HydrophobicContact CB-CD2 3.78Å; F72-L112 HydrophobicContact CD1-CD2 4.3Å; F72-L112 HydrophobicContact CG-CD2 4.08Å; W104-L112 HydrophobicContact CE3-CD1 4.36Å; W104-L112 HydrophobicContact CH2-CD2 3.87Å; W104-L112 HydrophobicContact CZ3-CD1 3.97Å; W104-L112 HydrophobicContact CZ3-CD2 4.04Å; L105-L112 HydrophobicContact CB-CD1 4.45Å; L105-L112 HydrophobicContact CD2-CD1 3.61Å; R108-L112 HydrophobicContact CB-CD1 4.15Å; R108-L112 HydrophobicContact CB-CG 4.02Å; R108-L112 WeakPolarHBondContact O-CB 3.02Å; R108-L112 VanDerWaalsContact O-CG 3.28Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 3.14Å; I109-L112 PolarHBondContact O-N 3.02Å; S110-L112 VanDerWaalsContact C-N 3.34Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.18Å; L112-R115 PolarHBondContact O-N 3.43Å; L112-A116 WeakPolarHBondContact O-CB 3.5Å; L112-A116 PolarHBondContact O-N 3.46Å
113K86Confident85Confident75 Ų7561.4 Ų61.433%0.32630%0.299SS..Hα-helixtrans-58.6-44.9171.1-78.3-174.9179.9-156.50111.1E44 I109 A116 Y117E44-K113 WeakPolarHBondContact O-CE 3.3Å; E44-K113 PolarHBondContact O-NZ 3.49Å; E44-K113 IonicContact OE1-NZ 3.51Å; E44-K113 PolarHBondContact OE1-NZ 3.35Å; I109-K113 HydrophobicContact CG2-CD 4.1Å; I109-K113 HydrophobicContact CG2-CG 4.28Å; I109-K113 WeakPolarHBondContact O-CB 2.94Å; I109-K113 WeakPolarHBondContact O-CG 3.4Å; I109-K113 PolarHBondContact O-N 2.93Å; K113-A116 PolarHBondContact O-N 3.4Å; K113-Y117 WeakPolarHBondContact O-CB 3.42Å; K113-Y117 PolarHBondContact O-N 2.84Å
114K85.4Confident84.8Confident86 Ų8663 Ų6337%0.37431%0.305SS..Hα-helixtrans-61.7-43.1174.3-72.6-179.6177.7-161.50112S110 E111 L112 Y117 L118 E159S110-K114 WeakPolarHBondContact O-CG 3.47Å; S110-K114 PolarHBondContact O-N 3.49Å; S110-K114 VanDerWaalsContact O-N 3.1Å; E111-K114 WeakPolarHBondContact O-CB 3.39Å; E111-K114 PolarHBondContact O-N 3.34Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.18Å; K114-Y117 PolarHBondContact O-N 2.85Å; K114-L118 WeakPolarHBondContact O-CB 3.38Å; K114-L118 VanDerWaalsContact O-CG 3.27Å; K114-L118 WeakPolarHBondContact O-CG 3.46Å; K114-L118 PolarHBondContact O-N 3.46Å; K114-E159 WeakPolarHBondContact CD-OE1 3.4Å; K114-E159 WeakPolarHBondContact CE-OE1 3.4Å; K114-E159 IonicContact NZ-OE1 2.78Å; K114-E159 PolarHBondContact NZ-OE1 2.69Å
115R85.8Confident84.5Confident92 Ų9266.3 Ų66.335%0.34733%0.325SS..Hα-helixtrans-66.2-42.2177.5-76.2-177-177-1793.8112.5F72 E111 L112 Y117 L118 A119F72-R115 PolarHBondContact O-NH1 2.98Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 3.12Å; L112-R115 PolarHBondContact O-N 3.43Å; R115-Y117 VanDerWaalsContact C-N 3.32Å; R115-Y117 PolarHBondContact O-N 2.88Å; R115-L118 PolarHBondContact O-N 3.01Å; R115-A119 VanDerWaalsContact O-CB 3.23Å; R115-A119 WeakPolarHBondContact O-CB 3.4Å; R115-A119 PolarHBondContact O-N 2.7Å
116A85.3Confident84.1Confident4 Ų472.7 Ų72.73%0.03336%0.363CS..Hα-helixtrans-57.2-48.6174.700000110.5I45 D46 F72 L112 K113 A119 Q120I45-A116 HydrophobicContact CG2-CB 4.1Å; D46-A116 HydrophobicContact CB-CB 4.11Å; F72-A116 HydrophobicContact CE1-CB 3.83Å; F72-A116 HydrophobicContact CZ-CB 4.49Å; L112-A116 WeakPolarHBondContact O-CB 3.5Å; L112-A116 PolarHBondContact O-N 3.46Å; K113-A116 PolarHBondContact O-N 3.4Å; A116-A119 PolarHBondContact O-N 2.78Å; A116-Q120 PolarHBondContact O-N 3.35Å
117Y86.7Confident83.6Confident115 Ų11575.2 Ų75.245%0.45138%0.376SS..Hα-helixtrans-59.8-49.8176.1177.3-101.5000112.1K113 K114 R115 A119 Q120 F121K113-Y117 WeakPolarHBondContact O-CB 3.42Å; K113-Y117 PolarHBondContact O-N 2.84Å; K114-Y117 PolarHBondContact O-N 2.85Å; R115-Y117 VanDerWaalsContact C-N 3.32Å; R115-Y117 PolarHBondContact O-N 2.88Å; Y117-A119 VanDerWaalsContact C-N 3.32Å; Y117-A119 PolarHBondContact O-N 3.42Å; Y117-Q120 PolarHBondContact O-N 2.84Å; Y117-F121 HydrophobicContact CD2-CE2 4.21Å; Y117-F121 HydrophobicContact CE1-CD2 4.5Å; Y117-F121 HydrophobicContact CE1-CE2 4.24Å; Y117-F121 AromaticContact CE2-CE2 3.7Å; Y117-F121 HydrophobicContact CE2-CE2 3.7Å; Y117-F121 HydrophobicContact CE2-CZ 4.48Å; Y117-F121 AromaticContact CZ-CE2 3.71Å; Y117-F121 WeakPolarHBondContact O-CD2 3.47Å
118L86.5Confident83.5Confident39 Ų3975.8 Ų75.820%0.20438%0.379CS..Hα-helixtrans-65.4-33.8179.4-73.2176000112.7K114 R115 Q120 F121 L122 F151K114-L118 WeakPolarHBondContact O-CB 3.38Å; K114-L118 VanDerWaalsContact O-CG 3.27Å; K114-L118 WeakPolarHBondContact O-CG 3.46Å; K114-L118 PolarHBondContact O-N 3.46Å; R115-L118 PolarHBondContact O-N 3.01Å; L118-Q120 PolarHBondContact O-N 3.13Å; L118-F121 PolarHBondContact O-N 3.39Å; L118-F121 VanDerWaalsContact O-N 3.12Å; L118-L122 HydrophobicContact CB-CD1 4.04Å; L118-L122 HydrophobicContact CD2-CD1 4.24Å; L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 2.85Å; L118-F151 HydrophobicContact CD2-CE1 4.05Å; L118-F151 HydrophobicContact CD2-CZ 4.39Å
119A84.4Confident83.2Confident21 Ų2176.1 Ų76.117%0.17439%0.393CS..Hα-helixtrans-63.5-30.8179.400000112.4V71 R115 A116 Y117 F121 V123V71-A119 HydrophobicContact CG1-CB 3.34Å; R115-A119 VanDerWaalsContact O-CB 3.23Å; R115-A119 WeakPolarHBondContact O-CB 3.4Å; R115-A119 PolarHBondContact O-N 2.7Å; A116-A119 PolarHBondContact O-N 2.78Å; Y117-A119 VanDerWaalsContact C-N 3.32Å; Y117-A119 PolarHBondContact O-N 3.42Å; A119-F121 PolarHBondContact O-N 3.25Å; A119-V123 HydrophobicContact CB-CG2 4.12Å; A119-V123 WeakPolarHBondContact O-CB 3.34Å; A119-V123 WeakPolarHBondContact O-CG2 3.04Å; A119-V123 PolarHBondContact O-N 3.34Å
120Q83.6Confident83Confident101 Ų10180.4 Ų80.447%0.47242%0.416SS..Hα-helixtrans-61.7-27.9175.6-64.7-179.73.100112.8A116 Y117 L118A116-Q120 PolarHBondContact O-N 3.35Å; Y117-Q120 PolarHBondContact O-N 2.84Å; L118-Q120 PolarHBondContact O-N 3.13Å
121F83.7Confident82.7Confident93 Ų9382.2 Ų82.241%0.40841%0.414SS..Hα-helixtrans-109.3-27.4-176.5-57.6-68.7000114Y117 L118 A119 F151Y117-F121 HydrophobicContact CD2-CE2 4.21Å; Y117-F121 HydrophobicContact CE1-CD2 4.5Å; Y117-F121 HydrophobicContact CE1-CE2 4.24Å; Y117-F121 AromaticContact CE2-CE2 3.7Å; Y117-F121 HydrophobicContact CE2-CE2 3.7Å; Y117-F121 HydrophobicContact CE2-CZ 4.48Å; Y117-F121 AromaticContact CZ-CE2 3.71Å; Y117-F121 WeakPolarHBondContact O-CD2 3.47Å; L118-F121 PolarHBondContact O-N 3.39Å; L118-F121 VanDerWaalsContact O-N 3.12Å; A119-F121 PolarHBondContact O-N 3.25Å; F121-F151 HydrophobicContact CB-CD1 4.38Å; F121-F151 HydrophobicContact CB-CE1 3.87Å; F121-F151 HydrophobicContact CB-CZ 4.11Å; F121-F151 HydrophobicContact CD2-CE1 4.41Å; F121-F151 AromaticContact CD2-CZ 3.89Å; F121-F151 HydrophobicContact CD2-CZ 3.89Å; F121-F151 HydrophobicContact CG-CE1 4.38Å; F121-F151 HydrophobicContact CG-CZ 4.12Å
122L85Confident82.4Confident57 Ų5779.7 Ų79.730%0.29840%0.402SS..Hα-helixtrans-98.4-15.3-173.4-63-175.9000114.2L118 K124 I148 F151 K152L118-L122 HydrophobicContact CB-CD1 4.04Å; L118-L122 HydrophobicContact CD2-CD1 4.24Å; L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 2.85Å; L122-K124 PolarHBondContact O-N 3.44Å; L122-K124 VanDerWaalsContact O-N 3.08Å; L122-I148 HydrophobicContact CD2-CG2 3.86Å; L122-F151 HydrophobicContact CD2-CD1 4Å; L122-F151 HydrophobicContact CD2-CE1 4.25Å; L122-K152 HydrophobicContact CD2-CD 4.43Å; L122-K152 HydrophobicContact CD2-CG 3.77Å
123V82Confident81.9Confident97 Ų9787.4 Ų87.459%0.58844%0.438SS*.SBendtrans-72.8103.7173.6175.80000107.8A119A119-V123 HydrophobicContact CB-CG2 4.12Å; A119-V123 WeakPolarHBondContact O-CB 3.34Å; A119-V123 WeakPolarHBondContact O-CG2 3.04Å; A119-V123 PolarHBondContact O-N 3.34Å
124K80.3Confident81.7Confident100 Ų10087.6 Ų87.644%0.43544%0.443SS..  trans-60.1136.5-179.4-65.6-172.8178.6-170.70110.4L122 T126 E145 I148L122-K124 PolarHBondContact O-N 3.44Å; L122-K124 VanDerWaalsContact O-N 3.08Å; K124-T126 PolarHBondContact O-N 3.14Å; K124-E145 IonicContact NZ-OE1 2.7Å; K124-E145 PolarHBondContact NZ-OE1 2.97Å; K124-I148 HydrophobicContact CG-CD1 4.41Å
125I79.7Confident81.6Confident114 Ų11492 Ų9259%0.58547%0.465SS*.  trans-67.8121.9168.1-57.8171.1000107.4I127I125-I127 HydrophobicContact CG2-CG1 4.23Å; I125-I127 PolarHBondContact O-N 3.42Å
126T78.1Confident81.6Confident133 Ų13394.6 Ų94.682%0.81648%0.481SS*.  trans-78.497176.450.70000109.1K124K124-T126 PolarHBondContact O-N 3.14Å
127I74.6Confident81.6Confident62 Ų6296.7 Ų96.732%0.31849%0.491SS..  trans-87126.9175-58.8177000108.2I125 F131 M132 Y141I125-I127 HydrophobicContact CG2-CG1 4.23Å; I125-I127 PolarHBondContact O-N 3.42Å; I127-F131 HydrophobicContact CG2-CB 4.02Å; I127-M132 HydrophobicContact CB-CE 3.76Å; I127-M132 HydrophobicContact CD1-CE 3.84Å; I127-M132 HydrophobicContact CG1-CE 4.33Å; I127-M132 HydrophobicContact CG2-CE 3.92Å; I127-Y141 HydrophobicContact CD1-CD2 3.58Å; I127-Y141 HydrophobicContact CD1-CE2 3.92Å; I127-Y141 HydrophobicContact CG1-CD2 4.48Å; I127-Y141 HydrophobicContact CG1-CE2 4.36Å
128P81.7Confident81.5Confident74 Ų7493 Ų9348%0.48148%0.482SS..  trans-56.5141.3175.6-23.833.3000112.2D130 F131P128-D130 PolarHBondContact O-N 3.49Å; P128-D130 VanDerWaalsContact O-N 3.11Å; P128-F131 HydrophobicContact CB-CD2 4.12Å; P128-F131 HydrophobicContact CG-CD2 4.28Å; P128-F131 HydrophobicContact CG-CE2 4.48Å; P128-F131 PolarHBondContact O-N 3.38Å; P128-F131 VanDerWaalsContact O-N 3.15Å
129V77.7Confident81.6Confident118 Ų11892.5 Ų92.572%0.71549%0.486SS*.G310 helixtrans-59-24-174.9-88.40000114.3F131 M132V129-F131 VanDerWaalsContact C-N 3.31Å; V129-F131 PolarHBondContact O-N 2.93Å; V129-M132 PolarHBondContact O-N 3.4Å
130D80.6Confident81.8Confident120 Ų12096.8 Ų96.864%0.64251%0.506SS*.G310 helixtrans-64.6-35.8178.7-54.8-38.6000112.2P128 M132P128-D130 PolarHBondContact O-N 3.49Å; P128-D130 VanDerWaalsContact O-N 3.11Å; D130-M132 VanDerWaalsContact C-N 3.33Å
131F79.4Confident82.1Confident123 Ų12394.3 Ų94.354%0.53949%0.492SS..G310 helixtrans-79.4-15.9177.9-65.6-75.3000113I127 P128 V129 Q133 I137I127-F131 HydrophobicContact CG2-CB 4.02Å; P128-F131 HydrophobicContact CB-CD2 4.12Å; P128-F131 HydrophobicContact CG-CD2 4.28Å; P128-F131 HydrophobicContact CG-CE2 4.48Å; P128-F131 PolarHBondContact O-N 3.38Å; P128-F131 VanDerWaalsContact O-N 3.15Å; V129-F131 VanDerWaalsContact C-N 3.31Å; V129-F131 PolarHBondContact O-N 2.93Å; F131-Q133 PolarHBondContact O-N 3.45Å; F131-I137 HydrophobicContact CB-CD1 4.04Å; F131-I137 HydrophobicContact CD1-CD1 4.32Å; F131-I137 WeakPolarHBondContact O-CB 3.45Å; F131-I137 WeakPolarHBondContact O-CD1 3.09Å; F131-I137 WeakPolarHBondContact O-CG2 3.49Å
132M76.7Confident82.3Confident49 Ų4995.3 Ų95.324%0.24150%0.498CS..G310 helixtrans-76.1-8.4176.8-76.4-70.9164.600113.4I127 V129 D130 D134 Y141I127-M132 HydrophobicContact CB-CE 3.76Å; I127-M132 HydrophobicContact CD1-CE 3.84Å; I127-M132 HydrophobicContact CG1-CE 4.33Å; I127-M132 HydrophobicContact CG2-CE 3.92Å; V129-M132 PolarHBondContact O-N 3.4Å; D130-M132 VanDerWaalsContact C-N 3.33Å; M132-D134 VanDerWaalsContact C-N 3.31Å; M132-Y141 HydrophobicContact CE-CD1 3.61Å; M132-Y141 HydrophobicContact CE-CD2 3.41Å; M132-Y141 VanDerWaalsContact CE-CD2 3.41Å; M132-Y141 HydrophobicContact CE-CE1 4.08Å; M132-Y141 HydrophobicContact CE-CE2 3.88Å; M132-Y141 HydrophobicContact CE-CG 3.23Å; M132-Y141 HydrophobicContact SD-CD1 4.25Å; M132-Y141 HydrophobicContact SD-CG 4.13Å
133Q76.3Confident82.5Confident163 Ų16397.5 Ų97.576%0.76251%0.51SS*.G310 helixtrans-74.4-24.3175.5-62.9-176.69.500112.5F131 E135F131-Q133 PolarHBondContact O-N 3.45Å; Q133-E135 PolarHBondContact O-N 2.94Å
134D82.6Confident82.9Confident78 Ų7895.9 Ų95.942%0.41749%0.494SS..SBendtrans-70.9123.1175-169.5-17.8000109.5M132 E136 I137 S138M132-D134 VanDerWaalsContact C-N 3.31Å; D134-E136 PolarHBondContact O-N 3.13Å; D134-E136 PolarHBondContact OD1-N 2.87Å; D134-E136 VanDerWaalsContact OD1-N 3.08Å; D134-I137 HydrophobicContact CB-CB 4.14Å; D134-I137 HydrophobicContact CB-CD1 4Å; D134-I137 HydrophobicContact CB-CG1 3.98Å; D134-I137 PolarHBondContact O-N 2.9Å; D134-S138 WeakPolarHBondContact O-CB 3.19Å; D134-S138 PolarHBondContact O-N 3.24Å
135E83.1Confident83.3Confident178 Ų17894.3 Ų94.383%0.83249%0.488SS*.Hα-helixtrans-58.4-33.7179.8-73.2-170161.800111.6Q133 G139Q133-E135 PolarHBondContact O-N 2.94Å; E135-G139 PolarHBondContact O-N 3.27Å
136E85Confident83.9Confident148 Ų14893.4 Ų93.469%0.69248%0.484SS*.Hα-helixtrans-68.5-45.9178.2-65.4-170.8178.500111.5D134 G139 L140D134-E136 PolarHBondContact O-N 3.13Å; D134-E136 PolarHBondContact OD1-N 2.87Å; D134-E136 VanDerWaalsContact OD1-N 3.08Å; E136-G139 PolarHBondContact O-N 3.07Å; E136-L140 WeakPolarHBondContact O-CB 2.84Å; E136-L140 VanDerWaalsContact O-CG 3.28Å; E136-L140 WeakPolarHBondContact O-CG 3.3Å; E136-L140 PolarHBondContact O-N 3.36Å
137I86.6Confident84.5Confident48 Ų4892.6 Ų92.625%0.24647%0.474CS..Hα-helixtrans-69-41.8-179.4-61178.9000110.4F131 D134 L140 Y141F131-I137 HydrophobicContact CB-CD1 4.04Å; F131-I137 HydrophobicContact CD1-CD1 4.32Å; F131-I137 WeakPolarHBondContact O-CB 3.45Å; F131-I137 WeakPolarHBondContact O-CD1 3.09Å; F131-I137 WeakPolarHBondContact O-CG2 3.49Å; D134-I137 HydrophobicContact CB-CB 4.14Å; D134-I137 HydrophobicContact CB-CD1 4Å; D134-I137 HydrophobicContact CB-CG1 3.98Å; D134-I137 PolarHBondContact O-N 2.9Å; I137-L140 PolarHBondContact O-N 2.74Å; I137-Y141 WeakPolarHBondContact O-CB 3.33Å; I137-Y141 PolarHBondContact O-N 3.42Å
138S85Confident85.3Confident37 Ų3790.2 Ų90.226%0.25946%0.462SS..Hα-helixtrans-61.6-45.4175.6-1740000111.2D134 Y141 Q142D134-S138 WeakPolarHBondContact O-CB 3.19Å; D134-S138 PolarHBondContact O-N 3.24Å; S138-Y141 PolarHBondContact O-N 3.2Å; S138-Q142 WeakPolarHBondContact O-CG 3.43Å; S138-Q142 PolarHBondContact O-N 3.44Å
139G87.4Confident85.7Confident28 Ų2891.6 Ų91.629%0.28946%0.462SS..Hα-helixtrans-60.7-44.7174.400000112.8E135 E136 Y141 Q142 L143E135-G139 PolarHBondContact O-N 3.27Å; E136-G139 PolarHBondContact O-N 3.07Å; G139-Y141 PolarHBondContact O-N 2.86Å; G139-Q142 PolarHBondContact O-N 2.73Å; G139-L143 WeakPolarHBondContact O-CG 3.14Å; G139-L143 PolarHBondContact O-N 3.47Å
140L89.2Confident86.4Confident112 Ų11290.2 Ų90.259%0.58645%0.451SS*.Hα-helixtrans-64.2-37.7175.4-74.9172.8000112.5E136 I137 L143 Y144E136-L140 WeakPolarHBondContact O-CB 2.84Å; E136-L140 VanDerWaalsContact O-CG 3.28Å; E136-L140 WeakPolarHBondContact O-CG 3.3Å; E136-L140 PolarHBondContact O-N 3.36Å; I137-L140 PolarHBondContact O-N 2.74Å; L140-L143 PolarHBondContact O-N 3.42Å; L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 3.48Å
141Y89.5Confident87Confident48 Ų4887.3 Ų87.319%0.18843%0.432CS..Hα-helixtrans-69.4-40.1177.2-166.2-103.7000112I127 M132 I137 S138 G139 L143 Y144 E145I127-Y141 HydrophobicContact CD1-CD2 3.58Å; I127-Y141 HydrophobicContact CD1-CE2 3.92Å; I127-Y141 HydrophobicContact CG1-CD2 4.48Å; I127-Y141 HydrophobicContact CG1-CE2 4.36Å; M132-Y141 HydrophobicContact CE-CD1 3.61Å; M132-Y141 HydrophobicContact CE-CD2 3.41Å; M132-Y141 VanDerWaalsContact CE-CD2 3.41Å; M132-Y141 HydrophobicContact CE-CE1 4.08Å; M132-Y141 HydrophobicContact CE-CE2 3.88Å; M132-Y141 HydrophobicContact CE-CG 3.23Å; M132-Y141 HydrophobicContact SD-CD1 4.25Å; M132-Y141 HydrophobicContact SD-CG 4.13Å; I137-Y141 WeakPolarHBondContact O-CB 3.33Å; I137-Y141 PolarHBondContact O-N 3.42Å; S138-Y141 PolarHBondContact O-N 3.2Å; G139-Y141 PolarHBondContact O-N 2.86Å; Y141-L143 VanDerWaalsContact C-N 3.35Å; Y141-Y144 HydrophobicContact CD2-CD1 4.04Å; Y141-Y144 AromaticContact CE2-CD1 3.99Å; Y141-Y144 HydrophobicContact CE2-CD1 3.99Å; Y141-Y144 HydrophobicContact CE2-CE1 4.22Å; Y141-Y144 CarbonylContact O-C 3.59Å; Y141-Y144 WeakPolarHBondContact O-CB 3.26Å; Y141-Y144 PolarHBondContact O-N 3.49Å; Y141-E145 HydrophobicContact CD1-CG 4.04Å; Y141-E145 HydrophobicContact CE1-CG 3.82Å; Y141-E145 WeakPolarHBondContact CE1-OE1 3.37Å; Y141-E145 WeakPolarHBondContact O-CG 3.44Å; Y141-E145 PolarHBondContact O-N 2.96Å
142Q87.9Confident87.6Confident115 Ų11585.3 Ų85.354%0.53742%0.423SS..Hα-helixtrans-61.9-42.8172.2-71.8178.511.600111.4S138 G139 Y144 E145 N146S138-Q142 WeakPolarHBondContact O-CG 3.43Å; S138-Q142 PolarHBondContact O-N 3.44Å; G139-Q142 PolarHBondContact O-N 2.73Å; Q142-Y144 VanDerWaalsContact C-N 3.33Å; Q142-Y144 PolarHBondContact O-N 2.72Å; Q142-E145 PolarHBondContact O-N 3.03Å; Q142-N146 WeakPolarHBondContact O-CB 3.32Å; Q142-N146 PolarHBondContact O-N 3.17Å; Q142-N146 PolarHBondContact O-ND2 2.93Å
143L89.4Confident88.3Confident103 Ų10387.8 Ų87.854%0.53943%0.434SS..Hα-helixtrans-60.5-42.1172.5-73.6169.5000111.5G139 L140 Y141 N146 L147G139-L143 WeakPolarHBondContact O-CG 3.14Å; G139-L143 PolarHBondContact O-N 3.47Å; L140-L143 PolarHBondContact O-N 3.42Å; Y141-L143 VanDerWaalsContact C-N 3.35Å; L143-N146 PolarHBondContact O-N 2.85Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 2.84Å
144Y90.4Very high89Confident63 Ų6383.5 Ų83.525%0.24742%0.423CS..Hα-helixtrans-62.4-44.4175.1168.7-107000112.5L140 Y141 Q142 L147 I148L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 3.48Å; Y141-Y144 HydrophobicContact CD2-CD1 4.04Å; Y141-Y144 AromaticContact CE2-CD1 3.99Å; Y141-Y144 HydrophobicContact CE2-CD1 3.99Å; Y141-Y144 HydrophobicContact CE2-CE1 4.22Å; Y141-Y144 CarbonylContact O-C 3.59Å; Y141-Y144 WeakPolarHBondContact O-CB 3.26Å; Y141-Y144 PolarHBondContact O-N 3.49Å; Q142-Y144 VanDerWaalsContact C-N 3.33Å; Q142-Y144 PolarHBondContact O-N 2.72Å; Y144-L147 PolarHBondContact O-N 3.48Å; Y144-I148 HydrophobicContact CD1-CD1 3.95Å; Y144-I148 HydrophobicContact CD2-CD1 4.3Å; Y144-I148 HydrophobicContact CE1-CD1 3.4Å; Y144-I148 HydrophobicContact CE2-CD1 3.78Å; Y144-I148 HydrophobicContact CE2-CG1 4.24Å; Y144-I148 HydrophobicContact CG-CD1 4.38Å; Y144-I148 WeakPolarHBondContact O-CG1 3.48Å; Y144-I148 PolarHBondContact O-N 2.86Å
145E89.3Confident89.4Confident66 Ų6681.3 Ų81.331%0.30841%0.41SS..Hα-helixtrans-64.5-41.7175.8-71.3-160.9137.600111.9K124 Y141 Q142 L147 I148 E149K124-E145 IonicContact NZ-OE1 2.7Å; K124-E145 PolarHBondContact NZ-OE1 2.97Å; Y141-E145 HydrophobicContact CD1-CG 4.04Å; Y141-E145 HydrophobicContact CE1-CG 3.82Å; Y141-E145 WeakPolarHBondContact CE1-OE1 3.37Å; Y141-E145 WeakPolarHBondContact O-CG 3.44Å; Y141-E145 PolarHBondContact O-N 2.96Å; Q142-E145 PolarHBondContact O-N 3.03Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 2.88Å; E145-I148 WeakPolarHBondContact O-CB 3.42Å; E145-I148 PolarHBondContact O-N 3.47Å; E145-E149 PolarHBondContact O-N 2.81Å
146N90.9Very high89.6Confident95 Ų9580.4 Ų80.451%0.50840%0.403SS..Hα-helixtrans-62.4-40.8174-72.6-26.2000111.5Q142 L143 I148 E149 N150Q142-N146 WeakPolarHBondContact O-CB 3.32Å; Q142-N146 PolarHBondContact O-N 3.17Å; Q142-N146 PolarHBondContact O-ND2 2.93Å; L143-N146 PolarHBondContact O-N 2.85Å; N146-I148 VanDerWaalsContact C-N 3.34Å; N146-E149 PolarHBondContact O-N 3.47Å; N146-N150 WeakPolarHBondContact O-CB 3.29Å; N146-N150 PolarHBondContact O-N 3.11Å; N146-N150 PolarHBondContact O-ND2 3.05Å
147L91.6Very high89.8Confident117 Ų11779 Ų7961%0.61339%0.394SS*.Hα-helixtrans-64.8-37.1174.5-75.7171.6000112.1L143 Y144 E145 N150 F151L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 2.84Å; Y144-L147 PolarHBondContact O-N 3.48Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 2.88Å; L147-N150 PolarHBondContact O-N 3.26Å; L147-F151 VanDerWaalsContact O-CB 3.31Å; L147-F151 WeakPolarHBondContact O-CB 3.3Å; L147-F151 PolarHBondContact O-N 2.9Å
148I91.4Very high89.9Confident12 Ų1280.9 Ų80.96%0.06241%0.405CS..Hα-helixtrans-63.7-45173-74.2168.8000111L122 K124 Y144 E145 N146 F151 K152L122-I148 HydrophobicContact CD2-CG2 3.86Å; K124-I148 HydrophobicContact CG-CD1 4.41Å; Y144-I148 HydrophobicContact CD1-CD1 3.95Å; Y144-I148 HydrophobicContact CD2-CD1 4.3Å; Y144-I148 HydrophobicContact CE1-CD1 3.4Å; Y144-I148 HydrophobicContact CE2-CD1 3.78Å; Y144-I148 HydrophobicContact CE2-CG1 4.24Å; Y144-I148 HydrophobicContact CG-CD1 4.38Å; Y144-I148 WeakPolarHBondContact O-CG1 3.48Å; Y144-I148 PolarHBondContact O-N 2.86Å; E145-I148 WeakPolarHBondContact O-CB 3.42Å; E145-I148 PolarHBondContact O-N 3.47Å; N146-I148 VanDerWaalsContact C-N 3.34Å; I148-F151 WeakPolarHBondContact O-CB 3.49Å; I148-F151 PolarHBondContact O-N 3.04Å; I148-K152 HydrophobicContact CG2-CD 4.4Å; I148-K152 WeakPolarHBondContact O-CG 3.24Å; I148-K152 PolarHBondContact O-N 2.77Å
149E90.7Very high89.9Confident103 Ų10381.7 Ų81.748%0.48141%0.405SS..Hα-helixtrans-64-44.3176.9-76-58144.600111.6E145 N146 F151 K152 E153E145-E149 PolarHBondContact O-N 2.81Å; N146-E149 PolarHBondContact O-N 3.47Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 3.38Å; E149-K152 WeakPolarHBondContact O-CB 3.17Å; E149-K152 PolarHBondContact O-N 3.31Å; E149-K152 VanDerWaalsContact O-N 3.13Å; E149-K152 IonicContact OE1-NZ 3.71Å; E149-K152 PolarHBondContact OE1-NZ 3.5Å; E149-E153 PolarHBondContact O-N 2.74Å
150N91.9Very high89.8Confident89 Ų8983.9 Ų83.948%0.47642%0.415SS..Hα-helixtrans-58.2-39.9173.2-71.6-19.5000111.8N146 L147 S154N146-N150 WeakPolarHBondContact O-CB 3.29Å; N146-N150 PolarHBondContact O-N 3.11Å; N146-N150 PolarHBondContact O-ND2 3.05Å; L147-N150 PolarHBondContact O-N 3.26Å; N150-S154 VanDerWaalsContact O-CB 3.28Å; N150-S154 WeakPolarHBondContact O-CB 3.41Å; N150-S154 PolarHBondContact O-N 3.33Å; N150-S154 PolarHBondContact O-OG 3.48Å
151F92.8Very high89.5Confident59 Ų5983.5 Ų83.526%0.25942%0.418SS..Hα-helixtrans-65.2-45.3175.1173.7-99.6000111.6L118 F121 L122 L147 I148 E149 E153 S154 H155L118-F151 HydrophobicContact CD2-CE1 4.05Å; L118-F151 HydrophobicContact CD2-CZ 4.39Å; F121-F151 HydrophobicContact CB-CD1 4.38Å; F121-F151 HydrophobicContact CB-CE1 3.87Å; F121-F151 HydrophobicContact CB-CZ 4.11Å; F121-F151 HydrophobicContact CD2-CE1 4.41Å; F121-F151 AromaticContact CD2-CZ 3.89Å; F121-F151 HydrophobicContact CD2-CZ 3.89Å; F121-F151 HydrophobicContact CG-CE1 4.38Å; F121-F151 HydrophobicContact CG-CZ 4.12Å; L122-F151 HydrophobicContact CD2-CD1 4Å; L122-F151 HydrophobicContact CD2-CE1 4.25Å; L147-F151 VanDerWaalsContact O-CB 3.31Å; L147-F151 WeakPolarHBondContact O-CB 3.3Å; L147-F151 PolarHBondContact O-N 2.9Å; I148-F151 WeakPolarHBondContact O-CB 3.49Å; I148-F151 PolarHBondContact O-N 3.04Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 3.38Å; F151-E153 PolarHBondContact O-N 3.43Å; F151-S154 PolarHBondContact O-N 3.27Å; F151-H155 WeakPolarHBondContact O-CB 3.24Å; F151-H155 PolarHBondContact O-N 2.9Å
152K91.5Very high89.2Confident80 Ų8088.3 Ų88.335%0.34844%0.439SS..Hα-helixtrans-59.5-46176.6-72.7173.6-171.51680111.3L122 I148 E149 H155 K156L122-K152 HydrophobicContact CD2-CD 4.43Å; L122-K152 HydrophobicContact CD2-CG 3.77Å; I148-K152 HydrophobicContact CG2-CD 4.4Å; I148-K152 WeakPolarHBondContact O-CG 3.24Å; I148-K152 PolarHBondContact O-N 2.77Å; E149-K152 WeakPolarHBondContact O-CB 3.17Å; E149-K152 PolarHBondContact O-N 3.31Å; E149-K152 VanDerWaalsContact O-N 3.13Å; E149-K152 IonicContact OE1-NZ 3.71Å; E149-K152 PolarHBondContact OE1-NZ 3.5Å; K152-H155 PolarHBondContact O-N 3.49Å; K152-K156 VanDerWaalsContact O-CB 3.24Å; K152-K156 WeakPolarHBondContact O-CB 3.17Å; K152-K156 PolarHBondContact O-N 2.8Å
153E91.3Very high88.7Confident101 Ų10188.8 Ų88.847%0.47245%0.446SS..Hα-helixtrans-64.4-46.1179.8-163.3-167.1152.700111.3E149 F151 K156 K157E149-E153 PolarHBondContact O-N 2.74Å; F151-E153 PolarHBondContact O-N 3.43Å; E153-K156 PolarHBondContact O-N 3.38Å; E153-K157 WeakPolarHBondContact O-CG 3.43Å; E153-K157 PolarHBondContact O-N 3.29Å; E153-K157 VanDerWaalsContact OE1-CE 3.27Å; E153-K157 WeakPolarHBondContact OE1-CE 3.31Å; E153-K157 IonicContact OE1-NZ 2.65Å; E153-K157 PolarHBondContact OE1-NZ 2.9Å
154S91.1Very high87.9Confident74 Ų7487 Ų8752%0.51745%0.452SS..Hα-helixtrans-64.1-42.5177.7-60.90000112.1N150 F151 K157 L158N150-S154 VanDerWaalsContact O-CB 3.28Å; N150-S154 WeakPolarHBondContact O-CB 3.41Å; N150-S154 PolarHBondContact O-N 3.33Å; N150-S154 PolarHBondContact O-OG 3.48Å; F151-S154 PolarHBondContact O-N 3.27Å; S154-K157 PolarHBondContact O-N 3.37Å; S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 2.84Å
155H90.6Very high86.7Confident31 Ų3186.2 Ų86.214%0.14446%0.463CS..Hα-helixtrans-65.5-40.3176-175.5-83.5000111.5F151 K152 L158 E159F151-H155 WeakPolarHBondContact O-CB 3.24Å; F151-H155 PolarHBondContact O-N 2.9Å; K152-H155 PolarHBondContact O-N 3.49Å; H155-L158 WeakPolarHBondContact O-CB 3.48Å; H155-L158 PolarHBondContact O-N 3.41Å; H155-E159 IonicContact CE1-OE1 2.63Å; H155-E159 PolarHBondContact O-N 3.15Å
156K89.1Confident85.4Confident160 Ų16090.3 Ų90.370%0.69649%0.486SS*.Hα-helixtrans-63.8-41.6175.3-171.5179.7-179.5-1760111.6K152 E153 E159 S160K152-K156 VanDerWaalsContact O-CB 3.24Å; K152-K156 WeakPolarHBondContact O-CB 3.17Å; K152-K156 PolarHBondContact O-N 2.8Å; E153-K156 PolarHBondContact O-N 3.38Å; K156-E159 PolarHBondContact O-N 2.77Å; K156-S160 WeakPolarHBondContact O-CB 3.35Å; K156-S160 PolarHBondContact O-N 2.82Å
157K89.1Confident84.3Confident117 Ų11790 Ų9051%0.50949%0.488SS..Hα-helixtrans-59.7-47.9171.6-76.7169170.7166.20110.7E153 S154 E159 S160 V161E153-K157 WeakPolarHBondContact O-CG 3.43Å; E153-K157 PolarHBondContact O-N 3.29Å; E153-K157 VanDerWaalsContact OE1-CE 3.27Å; E153-K157 WeakPolarHBondContact OE1-CE 3.31Å; E153-K157 IonicContact OE1-NZ 2.65Å; E153-K157 PolarHBondContact OE1-NZ 2.9Å; S154-K157 PolarHBondContact O-N 3.37Å; K157-E159 PolarHBondContact O-N 3.47Å; K157-S160 PolarHBondContact O-N 3.07Å; K157-S160 PolarHBondContact O-OG 3.04Å; K157-V161 WeakPolarHBondContact O-CG2 3.43Å; K157-V161 PolarHBondContact O-N 2.9Å
158L88.1Confident83.8Confident88 Ų8888.6 Ų88.646%0.46149%0.485SS..Hα-helixtrans-59.9-44.3177.2-177.869000112.6S154 H155 V161 K162S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 2.84Å; H155-L158 WeakPolarHBondContact O-CB 3.48Å; H155-L158 PolarHBondContact O-N 3.41Å; L158-V161 PolarHBondContact O-N 3.18Å; L158-K162 HydrophobicContact CG-CD 4.41Å; L158-K162 WeakPolarHBondContact O-CB 3.32Å; L158-K162 WeakPolarHBondContact O-CG 3.39Å; L158-K162 PolarHBondContact O-N 3.2Å
159E85.2Confident83.4Confident55 Ų5591.6 Ų91.626%0.25750%0.503SS..Hα-helixtrans-65-39176.1-79.2-152.4135.200112.2K114 H155 K156 K157 V161 K162 N163K114-E159 WeakPolarHBondContact CD-OE1 3.4Å; K114-E159 WeakPolarHBondContact CE-OE1 3.4Å; K114-E159 IonicContact NZ-OE1 2.78Å; K114-E159 PolarHBondContact NZ-OE1 2.69Å; H155-E159 IonicContact CE1-OE1 2.63Å; H155-E159 PolarHBondContact O-N 3.15Å; K156-E159 PolarHBondContact O-N 2.77Å; K157-E159 PolarHBondContact O-N 3.47Å; E159-V161 VanDerWaalsContact C-N 3.31Å; E159-V161 PolarHBondContact O-N 3.48Å; E159-K162 PolarHBondContact O-N 3.48Å; E159-N163 WeakPolarHBondContact O-CB 3.43Å; E159-N163 VanDerWaalsContact O-CG 3.26Å; E159-N163 PolarHBondContact O-N 2.97Å
160S84.7Confident83Confident74 Ų7493.5 Ų93.552%0.51751%0.512SS..Hα-helixtrans-61.7-40.9176.177.70000111.8K156 K157 G164K156-S160 WeakPolarHBondContact O-CB 3.35Å; K156-S160 PolarHBondContact O-N 2.82Å; K157-S160 PolarHBondContact O-N 3.07Å; K157-S160 PolarHBondContact O-OG 3.04Å; S160-G164 PolarHBondContact O-N 3.49Å
161V83.9Confident82.6Confident104 Ų10493 Ų9363%0.6351%0.512SS*.Hα-helixtrans-70.2-42.2177.3174.60000110.9K157 L158 E159 N163 G164 G165K157-V161 WeakPolarHBondContact O-CG2 3.43Å; K157-V161 PolarHBondContact O-N 2.9Å; L158-V161 PolarHBondContact O-N 3.18Å; E159-V161 VanDerWaalsContact C-N 3.31Å; E159-V161 PolarHBondContact O-N 3.48Å; V161-N163 VanDerWaalsContact C-N 3.35Å; V161-N163 PolarHBondContact O-N 2.88Å; V161-G164 PolarHBondContact O-N 3.25Å; V161-G165 PolarHBondContact O-N 2.85Å
162K81.7Confident82.5Confident148 Ų14897 Ų9764%0.64353%0.529SS*.Hα-helixtrans-62.9-39.3176.5-79.4-175.2176.5-178.20112.6L158 E159L158-K162 HydrophobicContact CG-CD 4.41Å; L158-K162 WeakPolarHBondContact O-CB 3.32Å; L158-K162 WeakPolarHBondContact O-CG 3.39Å; L158-K162 PolarHBondContact O-N 3.2Å; E159-K162 PolarHBondContact O-N 3.48Å
163N79.1Confident82.5Confident126 Ų126100.5 Ų100.567%0.67455%0.545SS*.Hα-helixtrans-77.9-26.4178.1-67.7-10.9000112.4E159 V161E159-N163 WeakPolarHBondContact O-CB 3.43Å; E159-N163 VanDerWaalsContact O-CG 3.26Å; E159-N163 PolarHBondContact O-N 2.97Å; V161-N163 VanDerWaalsContact C-N 3.35Å; V161-N163 PolarHBondContact O-N 2.88Å
164G71Confident82.4Confident65 Ų65100.1 Ų100.167%0.6755%0.546SS*.Hα-helixtrans-86.7-16-179.600000115.3S160 V161 L166S160-G164 PolarHBondContact O-N 3.49Å; V161-G164 PolarHBondContact O-N 3.25Å; G164-L166 PolarHBondContact O-N 2.75Å
165G64.8Low82.4Confident47 Ų47100 Ų10049%0.48554%0.539SS..SBendtrans-78115.4177.300000111.8V161 T167V161-G165 PolarHBondContact O-N 2.85Å; G165-T167 PolarHBondContact O-N 3.32Å
166L62.8Low82.5Confident151 Ų151101 Ų10179%0.79155%0.549SS*.  trans-47.4134159.2-110.284.2000107.9G164 T168G164-L166 PolarHBondContact O-N 2.75Å; L166-T168 PolarHBondContact O-N 3.45Å
167T67.5Low82.7Confident90 Ų9095.3 Ų95.355%0.55253%0.532SS*.  trans-62.198.1-175.8-370000109G165 T169 E170G165-T167 PolarHBondContact O-N 3.32Å; T167-T169 HydrophobicContact CG2-CG2 4.31Å; T167-T169 WeakPolarHBondContact CG2-OG1 3.49Å; T167-T169 PolarHBondContact O-N 2.86Å; T167-E170 PolarHBondContact O-N 3.39Å; T167-E170 VanDerWaalsContact O-N 3.09Å
168T80.6Confident82.8Confident87 Ų8794.4 Ų94.453%0.53453%0.531SS..Hα-helixtrans-59.8-11.2-176.259.80000112.8L166 K172L166-T168 PolarHBondContact O-N 3.45Å; T168-K172 VanDerWaalsContact O-CB 3.25Å; T168-K172 WeakPolarHBondContact O-CB 3.18Å; T168-K172 WeakPolarHBondContact O-CG 3.32Å; T168-K172 PolarHBondContact O-N 2.97Å
169T83.8Confident83.1Confident74 Ų7495.4 Ų95.445%0.45453%0.533SS..Hα-helixtrans-66.1-38.3174.757.90000113T167 K172 K173T167-T169 HydrophobicContact CG2-CG2 4.31Å; T167-T169 WeakPolarHBondContact CG2-OG1 3.49Å; T167-T169 PolarHBondContact O-N 2.86Å; T169-K172 PolarHBondContact O-N 2.98Å; T169-K173 WeakPolarHBondContact O-CB 3.19Å; T169-K173 VanDerWaalsContact O-CG 3.26Å; T169-K173 WeakPolarHBondContact O-CG 3.44Å; T169-K173 PolarHBondContact O-N 3.09Å
170E82.4Confident83.4Confident144 Ų14498.1 Ų98.167%0.67355%0.546SS*.Hα-helixtrans-69.7-45.1178.8-68.3-174.917100110.5T167 K172 K173 D174T167-E170 PolarHBondContact O-N 3.39Å; T167-E170 VanDerWaalsContact O-N 3.09Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.45Å; E170-K173 WeakPolarHBondContact O-CB 3.29Å; E170-K173 PolarHBondContact O-N 3.27Å; E170-D174 WeakPolarHBondContact O-CB 3.41Å; E170-D174 PolarHBondContact O-N 2.88Å
171V84.5Confident83.8Confident77 Ų77100.4 Ų100.447%0.46755%0.548SS..Hα-helixtrans-62.3-41.4174.8-178.40000111.1D174 I175V171-D174 PolarHBondContact O-N 2.89Å; V171-I175 HydrophobicContact CG1-CD1 3.78Å; V171-I175 HydrophobicContact CG1-CG1 4.35Å; V171-I175 WeakPolarHBondContact O-CB 3.4Å; V171-I175 WeakPolarHBondContact O-CG1 3.41Å; V171-I175 PolarHBondContact O-N 2.82Å
172K89.5Confident84.4Confident143 Ų143101.6 Ų101.662%0.62255%0.545SS*.Hα-helixtrans-64.6-39.4174.4-78.2175-178.7-176.80112.3T168 T169 E170 S176T168-K172 VanDerWaalsContact O-CB 3.25Å; T168-K172 WeakPolarHBondContact O-CB 3.18Å; T168-K172 WeakPolarHBondContact O-CG 3.32Å; T168-K172 PolarHBondContact O-N 2.97Å; T169-K172 PolarHBondContact O-N 2.98Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.45Å; K172-S176 WeakPolarHBondContact O-CB 3.42Å; K172-S176 PolarHBondContact O-N 3.25Å
173K90.9Very high85Confident155 Ų15598.3 Ų98.367%0.67454%0.535SS*.Hα-helixtrans-64.2-44.1174.9-78.9178-179.9-175.40111.2T169 E170 S176 A177T169-K173 WeakPolarHBondContact O-CB 3.19Å; T169-K173 VanDerWaalsContact O-CG 3.26Å; T169-K173 WeakPolarHBondContact O-CG 3.44Å; T169-K173 PolarHBondContact O-N 3.09Å; E170-K173 WeakPolarHBondContact O-CB 3.29Å; E170-K173 PolarHBondContact O-N 3.27Å; K173-S176 PolarHBondContact O-N 3.33Å; K173-A177 WeakPolarHBondContact O-CB 3.4Å; K173-A177 PolarHBondContact O-N 3.46Å
174D90.3Very high85.6Confident93 Ų9398.3 Ų98.350%0.49753%0.53SS..Hα-helixtrans-66.2-42.7177.5-171.441.4000111.9E170 V171 S176 A177 M178E170-D174 WeakPolarHBondContact O-CB 3.41Å; E170-D174 PolarHBondContact O-N 2.88Å; V171-D174 PolarHBondContact O-N 2.89Å; D174-S176 VanDerWaalsContact C-N 3.34Å; D174-S176 PolarHBondContact O-N 2.51Å; D174-A177 PolarHBondContact O-N 2.78Å; D174-M178 WeakPolarHBondContact O-CB 3.45Å; D174-M178 WeakPolarHBondContact O-CG 3.44Å; D174-M178 PolarHBondContact O-N 2.83Å; D174-M178 WeakPolarHBondContact OD2-CE 3.34Å
175I89.9Confident86.6Confident72 Ų72100.4 Ų100.437%0.36953%0.526SS..Hα-helixtrans-60.8-44172.4-70.5168.9000110.8V171 M178 Q179V171-I175 HydrophobicContact CG1-CD1 3.78Å; V171-I175 HydrophobicContact CG1-CG1 4.35Å; V171-I175 WeakPolarHBondContact O-CB 3.4Å; V171-I175 WeakPolarHBondContact O-CG1 3.41Å; V171-I175 PolarHBondContact O-N 2.82Å; I175-M178 HydrophobicContact CG1-CE 4.4Å; I175-M178 PolarHBondContact O-N 3.23Å; I175-Q179 HydrophobicContact CG2-CG 4.28Å; I175-Q179 VanDerWaalsContact O-CB 3.28Å; I175-Q179 WeakPolarHBondContact O-CB 3.19Å; I175-Q179 WeakPolarHBondContact O-CG 3.46Å; I175-Q179 PolarHBondContact O-N 3.29Å
176S93.4Very high87.9Confident51 Ų51101.9 Ų101.936%0.35752%0.522SS..Hα-helixtrans-62.6-43.9176.3-165.60000111.1K172 K173 D174 Q179 E180K172-S176 WeakPolarHBondContact O-CB 3.42Å; K172-S176 PolarHBondContact O-N 3.25Å; K173-S176 PolarHBondContact O-N 3.33Å; D174-S176 VanDerWaalsContact C-N 3.34Å; D174-S176 PolarHBondContact O-N 2.51Å; S176-Q179 PolarHBondContact O-N 3.5Å; S176-E180 WeakPolarHBondContact O-CB 3.25Å; S176-E180 WeakPolarHBondContact O-CG 3.48Å; S176-E180 PolarHBondContact O-N 3.3Å
177A92.8Very high89.3Confident41 Ų41102.5 Ų102.534%0.33951%0.514SS..Hα-helixtrans-63-46.5177.100000111.7K173 D174 Q179 E180 E181K173-A177 WeakPolarHBondContact O-CB 3.4Å; K173-A177 PolarHBondContact O-N 3.46Å; D174-A177 PolarHBondContact O-N 2.78Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.81Å; A177-E180 PolarHBondContact O-N 2.77Å; A177-E181 WeakPolarHBondContact O-CG 3.41Å; A177-E181 PolarHBondContact O-N 3.22Å
178M91.9Very high90.4Very high97 Ų97105.8 Ų105.848%0.47852%0.516SS..Hα-helixtrans-63.5-35.5174.6-75.4-169.6-76.900112.5D174 I175 K182D174-M178 WeakPolarHBondContact O-CB 3.45Å; D174-M178 WeakPolarHBondContact O-CG 3.44Å; D174-M178 PolarHBondContact O-N 2.83Å; D174-M178 WeakPolarHBondContact OD2-CE 3.34Å; I175-M178 HydrophobicContact CG1-CE 4.4Å; I175-M178 PolarHBondContact O-N 3.23Å; M178-K182 WeakPolarHBondContact O-CB 3.49Å; M178-K182 PolarHBondContact O-N 3.48Å
179Q94Very high90.9Very high109 Ų109104.9 Ų104.951%0.50951%0.511SS..Hα-helixtrans-67-43.8174.2-78173.1-7.200111.2I175 S176 A177 K182 D183I175-Q179 HydrophobicContact CG2-CG 4.28Å; I175-Q179 VanDerWaalsContact O-CB 3.28Å; I175-Q179 WeakPolarHBondContact O-CB 3.19Å; I175-Q179 WeakPolarHBondContact O-CG 3.46Å; I175-Q179 PolarHBondContact O-N 3.29Å; S176-Q179 PolarHBondContact O-N 3.5Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.81Å; Q179-K182 PolarHBondContact O-N 2.82Å; Q179-D183 WeakPolarHBondContact O-CB 3.33Å; Q179-D183 PolarHBondContact O-N 3.25Å
180E93Very high91.1Very high112 Ų112106.4 Ų106.452%0.52351%0.513SS..Hα-helixtrans-62.5-45.2174.4-75.1175.5-155.700111.7S176 A177 D183 Q184S176-E180 WeakPolarHBondContact O-CB 3.25Å; S176-E180 WeakPolarHBondContact O-CG 3.48Å; S176-E180 PolarHBondContact O-N 3.3Å; A177-E180 PolarHBondContact O-N 2.77Å; E180-D183 PolarHBondContact O-N 3.19Å; E180-Q184 WeakPolarHBondContact O-CB 3.42Å; E180-Q184 VanDerWaalsContact O-CG 3.23Å; E180-Q184 WeakPolarHBondContact O-CG 3.23Å; E180-Q184 PolarHBondContact O-N 3.02Å
181E93Very high91.4Very high122 Ų122107.3 Ų107.357%0.5751%0.51SS*.Hα-helixtrans-61.1-44.4174.9-75.5-173.4176.100111.6A177 D183 Q184 L185A177-E181 WeakPolarHBondContact O-CG 3.41Å; A177-E181 PolarHBondContact O-N 3.22Å; E181-D183 PolarHBondContact O-N 3.39Å; E181-Q184 PolarHBondContact O-N 2.63Å; E181-L185 WeakPolarHBondContact O-CB 3.24Å; E181-L185 VanDerWaalsContact O-CG 3.29Å; E181-L185 WeakPolarHBondContact O-CG 3.5Å; E181-L185 PolarHBondContact O-N 3.48Å
182K95.2Very high91.5Very high129 Ų129109.2 Ų109.256%0.56152%0.515SS*.Hα-helixtrans-59.1-46.6174.7178-173.7170.8-173.60110.9M178 Q179 L185 L186M178-K182 WeakPolarHBondContact O-CB 3.49Å; M178-K182 PolarHBondContact O-N 3.48Å; Q179-K182 PolarHBondContact O-N 2.82Å; K182-L185 PolarHBondContact O-N 2.78Å; K182-L186 HydrophobicContact CG-CD1 4.09Å; K182-L186 HydrophobicContact CG-CG 4.43Å; K182-L186 WeakPolarHBondContact O-CB 3.38Å; K182-L186 VanDerWaalsContact O-CG 3.31Å; K182-L186 WeakPolarHBondContact O-CG 3.32Å; K182-L186 PolarHBondContact O-N 3.39Å
183D93.8Very high91.2Very high80 Ų80108.1 Ų108.143%0.42851%0.51SS..Hα-helixtrans-66.6-39179.3-78.1-6.1000111.8Q179 E180 E181 L186 R187Q179-D183 WeakPolarHBondContact O-CB 3.33Å; Q179-D183 PolarHBondContact O-N 3.25Å; E180-D183 PolarHBondContact O-N 3.19Å; E181-D183 PolarHBondContact O-N 3.39Å; D183-L186 PolarHBondContact O-N 2.92Å; D183-R187 WeakPolarHBondContact O-CB 3.17Å; D183-R187 VanDerWaalsContact O-CG 3.25Å; D183-R187 WeakPolarHBondContact O-CG 2.9Å; D183-R187 PolarHBondContact O-N 3.37Å
184Q91.9Very high91Very high125 Ų125107.8 Ų107.858%0.58451%0.509SS*.Hα-helixtrans-62.1-43.7173.2-73.8178.327.800111.6E180 E181 R188E180-Q184 WeakPolarHBondContact O-CB 3.42Å; E180-Q184 VanDerWaalsContact O-CG 3.23Å; E180-Q184 WeakPolarHBondContact O-CG 3.23Å; E180-Q184 PolarHBondContact O-N 3.02Å; E181-Q184 PolarHBondContact O-N 2.63Å; Q184-R188 WeakPolarHBondContact O-CB 3.45Å; Q184-R188 PolarHBondContact O-N 2.85Å
185L92.3Very high90.7Very high109 Ų109111.1 Ų111.157%0.57152%0.519SS*.Hα-helixtrans-64.7-44.4175.2-73.3173.8000111.3E181 K182 R188 V189E181-L185 WeakPolarHBondContact O-CB 3.24Å; E181-L185 VanDerWaalsContact O-CG 3.29Å; E181-L185 WeakPolarHBondContact O-CG 3.5Å; E181-L185 PolarHBondContact O-N 3.48Å; K182-L185 PolarHBondContact O-N 2.78Å; L185-R188 CarbonylContact O-C 3.58Å; L185-R188 WeakPolarHBondContact O-CB 3.26Å; L185-R188 PolarHBondContact O-N 3.3Å; L185-R188 VanDerWaalsContact O-N 3.16Å; L185-V189 WeakPolarHBondContact O-CB 3.29Å; L185-V189 VanDerWaalsContact O-CG2 3.27Å; L185-V189 WeakPolarHBondContact O-CG2 3.43Å; L185-V189 PolarHBondContact O-N 2.96Å
186L92.4Very high90.2Very high79 Ų79109.7 Ų109.741%0.41451%0.512SS..Hα-helixtrans-61-47.1175.8-75.3175.4000111.2K182 D183 R188 V189 E190K182-L186 HydrophobicContact CG-CD1 4.09Å; K182-L186 HydrophobicContact CG-CG 4.43Å; K182-L186 WeakPolarHBondContact O-CB 3.38Å; K182-L186 VanDerWaalsContact O-CG 3.31Å; K182-L186 WeakPolarHBondContact O-CG 3.32Å; K182-L186 PolarHBondContact O-N 3.39Å; D183-L186 PolarHBondContact O-N 2.92Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.2Å; L186-V189 CarbonylContact O-C 3.57Å; L186-V189 PolarHBondContact O-N 2.94Å; L186-V189 VanDerWaalsContact O-N 3.15Å; L186-E190 WeakPolarHBondContact O-CB 3.31Å; L186-E190 WeakPolarHBondContact O-CG 3.2Å; L186-E190 PolarHBondContact O-N 3.47Å
187R92.6Very high89.5Confident163 Ų163114.1 Ų114.162%0.61553%0.527SS*.Hα-helixtrans-60.4-36173.9-71.9177.4-167.4-1706.6112.2D183 R191D183-R187 WeakPolarHBondContact O-CB 3.17Å; D183-R187 VanDerWaalsContact O-CG 3.25Å; D183-R187 WeakPolarHBondContact O-CG 2.9Å; D183-R187 PolarHBondContact O-N 3.37Å; R187-R191 WeakPolarHBondContact O-CB 3.45Å; R187-R191 VanDerWaalsContact O-CG 3.25Å; R187-R191 WeakPolarHBondContact O-CG 3.33Å; R187-R191 PolarHBondContact O-N 3.09Å; R187-R191 PolarHBondContact O-NE 3.17Å
188R91.2Very high88.8Confident159 Ų159116 Ų11660%0.654%0.542SS*.Hα-helixtrans-69.3-42.2175.2-173.3174.3179.3161-1111.2Q184 L185 L186 R191 M192Q184-R188 WeakPolarHBondContact O-CB 3.45Å; Q184-R188 PolarHBondContact O-N 2.85Å; L185-R188 CarbonylContact O-C 3.58Å; L185-R188 WeakPolarHBondContact O-CB 3.26Å; L185-R188 PolarHBondContact O-N 3.3Å; L185-R188 VanDerWaalsContact O-N 3.16Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.2Å; R188-R191 PolarHBondContact O-N 2.97Å; R188-M192 WeakPolarHBondContact O-CB 3.5Å; R188-M192 PolarHBondContact O-N 3.11Å
189V89.3Confident88.2Confident69 Ų69117 Ų11742%0.41854%0.544SS..Hα-helixtrans-64-45.1175.4169.30000110.6L185 L186 M192 K193L185-V189 WeakPolarHBondContact O-CB 3.29Å; L185-V189 VanDerWaalsContact O-CG2 3.27Å; L185-V189 WeakPolarHBondContact O-CG2 3.43Å; L185-V189 PolarHBondContact O-N 2.96Å; L186-V189 CarbonylContact O-C 3.57Å; L186-V189 PolarHBondContact O-N 2.94Å; L186-V189 VanDerWaalsContact O-N 3.15Å; V189-M192 CarbonylContact O-C 3.59Å; V189-M192 WeakPolarHBondContact O-CB 3.37Å; V189-M192 PolarHBondContact O-N 3.05Å; V189-M192 VanDerWaalsContact O-N 3.15Å; V189-K193 HydrophobicContact CG1-CD 4.13Å; V189-K193 HydrophobicContact CG1-CG 4.24Å; V189-K193 WeakPolarHBondContact O-CB 3.33Å; V189-K193 WeakPolarHBondContact O-CG 3.24Å; V189-K193 PolarHBondContact O-N 3.44Å
190E89.1Confident87.3Confident106 Ų106118.5 Ų118.550%0.49556%0.563SS.*Hα-helixtrans-61.8-46.5175.7-76.7176.6-174.400111.9L186 M192 K193 K194L186-E190 WeakPolarHBondContact O-CB 3.31Å; L186-E190 WeakPolarHBondContact O-CG 3.2Å; L186-E190 PolarHBondContact O-N 3.47Å; E190-M192 PolarHBondContact O-N 3.4Å; E190-K193 PolarHBondContact O-N 2.96Å; E190-K194 WeakPolarHBondContact O-CB 3.27Å; E190-K194 WeakPolarHBondContact O-CG 3.31Å; E190-K194 PolarHBondContact O-N 3.11Å
191R89.2Confident86.7Confident163 Ų163117.5 Ų117.562%0.61557%0.565SS**Hα-helixtrans-57.4-36.9173.7-78.6-176.2-71.5171.9-4111.8R187 R188 K195R187-R191 WeakPolarHBondContact O-CB 3.45Å; R187-R191 VanDerWaalsContact O-CG 3.25Å; R187-R191 WeakPolarHBondContact O-CG 3.33Å; R187-R191 PolarHBondContact O-N 3.09Å; R187-R191 PolarHBondContact O-NE 3.17Å; R188-R191 PolarHBondContact O-N 2.97Å; R191-K195 WeakPolarHBondContact O-CG 3.31Å; R191-K195 PolarHBondContact O-N 2.55Å
192M85.3Confident86.2Confident117 Ų117112.2 Ų112.258%0.57654%0.541SS*.Hα-helixtrans-75.6-39.8178.5-155.2168.4-67.300112.1R188 V189 E190 K195 L196R188-M192 WeakPolarHBondContact O-CB 3.5Å; R188-M192 PolarHBondContact O-N 3.11Å; V189-M192 CarbonylContact O-C 3.59Å; V189-M192 WeakPolarHBondContact O-CB 3.37Å; V189-M192 PolarHBondContact O-N 3.05Å; V189-M192 VanDerWaalsContact O-N 3.15Å; E190-M192 PolarHBondContact O-N 3.4Å; M192-K195 PolarHBondContact O-N 2.81Å; M192-L196 PolarHBondContact O-N 3.34Å; M192-L196 VanDerWaalsContact O-N 3.13Å
193K84.7Confident85.6Confident119 Ų119112 Ų11252%0.51755%0.546SS..Hα-helixtrans-61.8-46.3174-77.9-175.9175.2-173.50111.6V189 E190 K195 L196 E197V189-K193 HydrophobicContact CG1-CD 4.13Å; V189-K193 HydrophobicContact CG1-CG 4.24Å; V189-K193 WeakPolarHBondContact O-CB 3.33Å; V189-K193 WeakPolarHBondContact O-CG 3.24Å; V189-K193 PolarHBondContact O-N 3.44Å; E190-K193 PolarHBondContact O-N 2.96Å; K193-K195 VanDerWaalsContact C-N 3.3Å; K193-K195 PolarHBondContact O-N 3.27Å; K193-L196 CarbonylContact O-C 3.6Å; K193-L196 WeakPolarHBondContact O-CA 3.2Å; K193-L196 WeakPolarHBondContact O-CB 3.29Å; K193-L196 PolarHBondContact O-N 3.37Å; K193-E197 PolarHBondContact O-N 3.34Å
194K85.2Confident85.3Confident148 Ų148112.3 Ų112.364%0.64355%0.551SS**Hα-helixtrans-58.8-39.5175.3-73.2-177.6-178.3-175.70112.6E190 L196E190-K194 WeakPolarHBondContact O-CB 3.27Å; E190-K194 WeakPolarHBondContact O-CG 3.31Å; E190-K194 PolarHBondContact O-N 3.11Å; K194-L196 PolarHBondContact O-N 3.09Å
195K84.7Confident85Confident163 Ų163112.2 Ų112.271%0.70955%0.552SS**Hα-helixtrans-65.7-25.4173.7-74.2178.3179.6-169.90112.7R191 M192 K193R191-K195 WeakPolarHBondContact O-CG 3.31Å; R191-K195 PolarHBondContact O-N 2.55Å; M192-K195 PolarHBondContact O-N 2.81Å; K193-K195 VanDerWaalsContact C-N 3.3Å; K193-K195 PolarHBondContact O-N 3.27Å
196L79.7Confident84.8Confident42 Ų42110.8 Ų110.822%0.2255%0.545CS..Hα-helixtrans-93-30.5-176.9-154.373.1000113.2M192 K193 K194 A198 F199 S202 L206M192-L196 PolarHBondContact O-N 3.34Å; M192-L196 VanDerWaalsContact O-N 3.13Å; K193-L196 CarbonylContact O-C 3.6Å; K193-L196 WeakPolarHBondContact O-CA 3.2Å; K193-L196 WeakPolarHBondContact O-CB 3.29Å; K193-L196 PolarHBondContact O-N 3.37Å; K194-L196 PolarHBondContact O-N 3.09Å; L196-A198 PolarHBondContact O-N 2.98Å; L196-A198 VanDerWaalsContact O-N 3.1Å; L196-F199 HydrophobicContact CD1-CD2 4.34Å; L196-F199 PolarHBondContact O-N 2.86Å; L196-S202 VanDerWaalsContact CD2-OG 3.28Å; L196-S202 WeakPolarHBondContact CD2-OG 3.27Å; L196-S202 WeakPolarHBondContact CG-OG 3.32Å; L196-S202 VanDerWaalsContact O-CB 3.24Å; L196-S202 WeakPolarHBondContact O-CB 3.39Å; L196-S202 PolarHBondContact O-OG 3.22Å; L196-L206 HydrophobicContact CD2-CD1 3.5Å; L196-L206 HydrophobicContact CD2-CD2 3.36Å; L196-L206 HydrophobicContact CD2-CG 3.24Å
197E78.1Confident84.5Confident145 Ų145112.6 Ų112.668%0.67855%0.551SS**Hα-helixtrans-57.1-21.5172-77172-175.100112.9K193 F199K193-E197 PolarHBondContact O-N 3.34Å; E197-F199 PolarHBondContact O-N 3.33Å; E197-F199 VanDerWaalsContact O-N 3.16Å
198A78.2Confident84.4Confident79 Ų79110.4 Ų110.465%0.65355%0.549SS*.THydrogen-bonded Turntrans-62.6-13.2170.600000114L196L196-A198 PolarHBondContact O-N 2.98Å; L196-A198 VanDerWaalsContact O-N 3.1Å
199F78.7Confident84.3Confident120 Ų120105.3 Ų105.353%0.52654%0.541SS..SBendtrans-110124.4-179.2-61.4-81.6000111.6L196 E197 T201 S202L196-F199 HydrophobicContact CD1-CD2 4.34Å; L196-F199 PolarHBondContact O-N 2.86Å; E197-F199 PolarHBondContact O-N 3.33Å; E197-F199 VanDerWaalsContact O-N 3.16Å; F199-T201 PolarHBondContact O-N 2.81Å; F199-S202 WeakPolarHBondContact O-CB 3.26Å; F199-S202 PolarHBondContact O-N 3.13Å
200P75.7Confident84.4Confident140 Ų140108.3 Ų108.391%0.90955%0.549SS*.THydrogen-bonded Turntrans-59.4-29.1-179-2533.1000114.7
201T80.3Confident84.6Confident90 Ų90110.8 Ų110.855%0.55255%0.553SS**THydrogen-bonded Turntrans-96.616.7179.550.60000113.3F199 N203 T204 M205F199-T201 PolarHBondContact O-N 2.81Å; T201-N203 PolarHBondContact O-N 3.44Å; T201-T204 PolarHBondContact O-N 3.14Å; T201-T204 PolarHBondContact O-OG1 3.35Å; T201-M205 WeakPolarHBondContact O-CB 3.29Å; T201-M205 PolarHBondContact O-N 2.93Å
202S82.4Confident84.8Confident11 Ų11107.5 Ų107.58%0.07755%0.547CS..Hα-helixtrans-51.6-48.8-176.9169.80000113.7L196 F199 M205 L206L196-S202 VanDerWaalsContact CD2-OG 3.28Å; L196-S202 WeakPolarHBondContact CD2-OG 3.27Å; L196-S202 WeakPolarHBondContact CG-OG 3.32Å; L196-S202 VanDerWaalsContact O-CB 3.24Å; L196-S202 WeakPolarHBondContact O-CB 3.39Å; L196-S202 PolarHBondContact O-OG 3.22Å; F199-S202 WeakPolarHBondContact O-CB 3.26Å; F199-S202 PolarHBondContact O-N 3.13Å; S202-M205 PolarHBondContact O-N 3.04Å; S202-L206 WeakPolarHBondContact O-CB 3.34Å; S202-L206 WeakPolarHBondContact O-CG 3.33Å; S202-L206 PolarHBondContact O-N 3.34Å
203N83.6Confident85.2Confident124 Ų124109.1 Ų109.166%0.66355%0.547SS*.Hα-helixtrans-67.4-44.2-175.6-72-28000112.6T201 L206 E207T201-N203 PolarHBondContact O-N 3.44Å; N203-L206 PolarHBondContact O-N 3.49Å; N203-E207 PolarHBondContact O-N 3.46Å
204T86.2Confident85.6Confident87 Ų87106.8 Ų106.853%0.53454%0.54SS..Hα-helixtrans-66.8-39.8177.655.20000111T201 E207 M208T201-T204 PolarHBondContact O-N 3.14Å; T201-T204 PolarHBondContact O-OG1 3.35Å; T204-E207 PolarHBondContact O-N 3.32Å; T204-M208 VanDerWaalsContact O-CG 3.3Å; T204-M208 WeakPolarHBondContact O-CG 3.19Å; T204-M208 PolarHBondContact O-N 2.79Å
205M86.1Confident85.9Confident124 Ų124104.6 Ų104.661%0.61153%0.532SS*.Hα-helixtrans-65.5-38.3176-167.2176.8-17500112.3T201 S202 M208 A209T201-M205 WeakPolarHBondContact O-CB 3.29Å; T201-M205 PolarHBondContact O-N 2.93Å; S202-M205 PolarHBondContact O-N 3.04Å; M205-M208 PolarHBondContact O-N 2.99Å; M205-A209 VanDerWaalsContact O-CB 3.25Å; M205-A209 WeakPolarHBondContact O-CB 3.35Å; M205-A209 PolarHBondContact O-N 3.32Å
206L87.1Confident86.3Confident79 Ų79104 Ų10441%0.41453%0.525SS..Hα-helixtrans-63.6-42.9173.6-81.2179.2000112.6L196 S202 N203 M208 A209 K210L196-L206 HydrophobicContact CD2-CD1 3.5Å; L196-L206 HydrophobicContact CD2-CD2 3.36Å; L196-L206 HydrophobicContact CD2-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CB 3.34Å; S202-L206 WeakPolarHBondContact O-CG 3.33Å; S202-L206 PolarHBondContact O-N 3.34Å; N203-L206 PolarHBondContact O-N 3.49Å; L206-M208 VanDerWaalsContact C-N 3.34Å; L206-A209 PolarHBondContact O-N 2.8Å; L206-K210 VanDerWaalsContact O-CB 3.29Å; L206-K210 WeakPolarHBondContact O-CB 3.26Å; L206-K210 PolarHBondContact O-N 2.85Å
207E87.8Confident86.9Confident117 Ų117105.5 Ų105.555%0.54753%0.531SS..Hα-helixtrans-62.7-43.6176.4-74.9-175.6178.400111.3N203 T204 K210 R211N203-E207 PolarHBondContact O-N 3.46Å; T204-E207 PolarHBondContact O-N 3.32Å; E207-K210 PolarHBondContact O-N 3.37Å; E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.45Å
208M89.2Confident87.6Confident116 Ų116103.6 Ų103.657%0.57152%0.521SS*.Hα-helixtrans-65.4-41.4175.5-66.8-56.1-72.100112T204 M205 L206 K210 R211 L212T204-M208 VanDerWaalsContact O-CG 3.3Å; T204-M208 WeakPolarHBondContact O-CG 3.19Å; T204-M208 PolarHBondContact O-N 2.79Å; M205-M208 PolarHBondContact O-N 2.99Å; L206-M208 VanDerWaalsContact C-N 3.34Å; M208-K210 VanDerWaalsContact C-N 3.35Å; M208-K210 PolarHBondContact O-N 2.75Å; M208-R211 PolarHBondContact O-N 3.48Å; M208-L212 WeakPolarHBondContact O-CB 3.4Å; M208-L212 PolarHBondContact O-N 3.48Å
209A89.8Confident88.3Confident52 Ų52105 Ų10543%0.4351%0.513SS..Hα-helixtrans-64.6-38.217500000112M205 L206 L212 R213M205-A209 VanDerWaalsContact O-CB 3.25Å; M205-A209 WeakPolarHBondContact O-CB 3.35Å; M205-A209 PolarHBondContact O-N 3.32Å; L206-A209 PolarHBondContact O-N 2.8Å; A209-L212 PolarHBondContact O-N 3.47Å; A209-R213 VanDerWaalsContact O-CB 3.31Å; A209-R213 WeakPolarHBondContact O-CB 3.39Å; A209-R213 PolarHBondContact O-N 2.84Å
210K91.8Very high89Confident133 Ų133103.4 Ų103.458%0.57851%0.514SS*.Hα-helixtrans-64.4-45.3173.9-177.8-177.8176.8-175.50111L206 E207 M208 R213 L214L206-K210 VanDerWaalsContact O-CB 3.29Å; L206-K210 WeakPolarHBondContact O-CB 3.26Å; L206-K210 PolarHBondContact O-N 2.85Å; E207-K210 PolarHBondContact O-N 3.37Å; M208-K210 VanDerWaalsContact C-N 3.35Å; M208-K210 PolarHBondContact O-N 2.75Å; K210-R213 PolarHBondContact O-N 2.91Å; K210-L214 HydrophobicContact CG-CD1 4.32Å; K210-L214 WeakPolarHBondContact O-CG 3.47Å; K210-L214 PolarHBondContact O-N 3.16Å
211R93Very high89.8Confident158 Ų158102.9 Ų102.960%0.59650%0.497SS*.Hα-helixtrans-60.6-48.4174.8-72.8178.2-174.9-176.43.7111E207 M208 R213 L214 E215E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.45Å; M208-R211 PolarHBondContact O-N 3.48Å; R211-R213 PolarHBondContact O-N 2.86Å; R211-L214 PolarHBondContact O-N 2.84Å; R211-E215 WeakPolarHBondContact O-CG 3.23Å; R211-E215 PolarHBondContact O-N 3.18Å
212L93.5Very high90.4Very high94 Ų94103 Ų10349%0.49249%0.493SS..Hα-helixtrans-60-42.4176.7-178.565.4000112.2M208 A209 E215 R216M208-L212 WeakPolarHBondContact O-CB 3.4Å; M208-L212 PolarHBondContact O-N 3.48Å; A209-L212 PolarHBondContact O-N 3.47Å; L212-E215 PolarHBondContact O-N 3.31Å; L212-R216 HydrophobicContact CD1-CG 4.47Å; L212-R216 WeakPolarHBondContact O-CB 3.31Å; L212-R216 WeakPolarHBondContact O-CG 3.4Å; L212-R216 PolarHBondContact O-N 2.89Å
213R93.8Very high90.8Very high151 Ų151104.9 Ų104.957%0.5751%0.507SS*.Hα-helixtrans-62-46.1176.4-169.6-172.576.6175.52.9111.3A209 K210 R211 R216 E217A209-R213 VanDerWaalsContact O-CB 3.31Å; A209-R213 WeakPolarHBondContact O-CB 3.39Å; A209-R213 PolarHBondContact O-N 2.84Å; K210-R213 PolarHBondContact O-N 2.91Å; R211-R213 PolarHBondContact O-N 2.86Å; R213-R216 PolarHBondContact O-N 3.17Å; R213-E217 IonicContact NE-OE1 3.25Å; R213-E217 PolarHBondContact NE-OE1 2.82Å; R213-E217 WeakPolarHBondContact O-CB 3.49Å; R213-E217 WeakPolarHBondContact O-CG 3.18Å; R213-E217 PolarHBondContact O-N 2.88Å
214L93.2Very high91.2Very high70 Ų70104.6 Ų104.637%0.36650%0.5SS..Hα-helixtrans-64.2-39.8178-71.9172.8000112K210 R211 E217 K218K210-L214 HydrophobicContact CG-CD1 4.32Å; K210-L214 WeakPolarHBondContact O-CG 3.47Å; K210-L214 PolarHBondContact O-N 3.16Å; R211-L214 PolarHBondContact O-N 2.84Å; L214-E217 PolarHBondContact O-N 3.01Å; L214-K218 WeakPolarHBondContact O-CG 3.27Å; L214-K218 PolarHBondContact O-N 2.86Å
215E90.9Very high91.6Very high102 Ų102105.7 Ų105.748%0.47750%0.499SS..Hα-helixtrans-68-41175.7-69.6-52132.900111.9R211 L212 E217 K218 E219R211-E215 WeakPolarHBondContact O-CG 3.23Å; R211-E215 PolarHBondContact O-N 3.18Å; L212-E215 PolarHBondContact O-N 3.31Å; E215-E217 PolarHBondContact O-N 2.83Å; E215-K218 WeakPolarHBondContact O-CB 3.21Å; E215-K218 PolarHBondContact O-N 3.44Å; E215-K218 IonicContact OE1-NZ 3.85Å; E215-K218 PolarHBondContact OE1-NZ 2.82Å; E215-K218 IonicContact OE2-NZ 2.73Å; E215-E219 WeakPolarHBondContact O-CB 3.22Å; E215-E219 PolarHBondContact O-N 3.38Å
216R93.9Very high91.8Very high151 Ų151104.1 Ų104.157%0.5749%0.491SS*.Hα-helixtrans-63.5-38.5171.9-75.8-177173.3176.7-1.6112.9L212 R213 K218 E219 T220L212-R216 HydrophobicContact CD1-CG 4.47Å; L212-R216 WeakPolarHBondContact O-CB 3.31Å; L212-R216 WeakPolarHBondContact O-CG 3.4Å; L212-R216 PolarHBondContact O-N 2.89Å; R213-R216 PolarHBondContact O-N 3.17Å; R216-K218 VanDerWaalsContact C-N 3.33Å; R216-E219 PolarHBondContact O-N 3.29Å; R216-T220 WeakPolarHBondContact O-CB 3.37Å; R216-T220 VanDerWaalsContact O-CG2 3.27Å; R216-T220 WeakPolarHBondContact O-CG2 3.42Å; R216-T220 PolarHBondContact O-N 2.86Å; R216-T220 PolarHBondContact O-OG1 2.83Å
217E92.4Very high92Very high73 Ų73108.7 Ų108.734%0.34150%0.503SS..Hα-helixtrans-64.6-36.8173.4-77.7175.3-156.900111.9R213 L214 E215 T220 K221R213-E217 IonicContact NE-OE1 3.25Å; R213-E217 PolarHBondContact NE-OE1 2.82Å; R213-E217 WeakPolarHBondContact O-CB 3.49Å; R213-E217 WeakPolarHBondContact O-CG 3.18Å; R213-E217 PolarHBondContact O-N 2.88Å; L214-E217 PolarHBondContact O-N 3.01Å; E215-E217 PolarHBondContact O-N 2.83Å; E217-T220 WeakPolarHBondContact CA-OG1 3.25Å; E217-T220 PolarHBondContact O-OG1 3.45Å; E217-K221 WeakPolarHBondContact O-CB 3.33Å; E217-K221 WeakPolarHBondContact O-CD 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.21Å; E217-K221 PolarHBondContact O-N 3.1Å; E217-K221 VanDerWaalsContact O-N 3.16Å
218K92.1Very high92.2Very high105 Ų105108.1 Ų108.146%0.45750%0.5SS..Hα-helixtrans-69-46.4172.9-73.9172.2-175.71740111.6L214 E215 R216 T220 K221 I222L214-K218 WeakPolarHBondContact O-CG 3.27Å; L214-K218 PolarHBondContact O-N 2.86Å; E215-K218 WeakPolarHBondContact O-CB 3.21Å; E215-K218 PolarHBondContact O-N 3.44Å; E215-K218 IonicContact OE1-NZ 3.85Å; E215-K218 PolarHBondContact OE1-NZ 2.82Å; E215-K218 IonicContact OE2-NZ 2.73Å; R216-K218 VanDerWaalsContact C-N 3.33Å; K218-T220 VanDerWaalsContact C-N 3.34Å; K218-T220 PolarHBondContact O-N 3.25Å; K218-K221 WeakPolarHBondContact O-CB 3.42Å; K218-K221 PolarHBondContact O-N 3.41Å; K218-I222 WeakPolarHBondContact O-CG1 3.33Å; K218-I222 PolarHBondContact O-N 2.82Å
219E92Very high92.3Very high107 Ų107108.6 Ų108.650%0.550%0.501SS..Hα-helixtrans-58.1-45.4178.1-174.2-167165.900111.5E215 R216 I222 S223E215-E219 WeakPolarHBondContact O-CB 3.22Å; E215-E219 PolarHBondContact O-N 3.38Å; R216-E219 PolarHBondContact O-N 3.29Å; E219-I222 PolarHBondContact O-N 2.88Å; E219-S223 WeakPolarHBondContact O-CB 3.26Å; E219-S223 PolarHBondContact O-N 3.03Å; E219-S223 PolarHBondContact O-OG 3.45Å
220T93.3Very high92.5Very high87 Ų87112.8 Ų112.853%0.53451%0.509SS..Hα-helixtrans-65.4-38.6176.150.60000112.3R216 E217 K218 K224R216-T220 WeakPolarHBondContact O-CB 3.37Å; R216-T220 VanDerWaalsContact O-CG2 3.27Å; R216-T220 WeakPolarHBondContact O-CG2 3.42Å; R216-T220 PolarHBondContact O-N 2.86Å; R216-T220 PolarHBondContact O-OG1 2.83Å; E217-T220 WeakPolarHBondContact CA-OG1 3.25Å; E217-T220 PolarHBondContact O-OG1 3.45Å; K218-T220 VanDerWaalsContact C-N 3.34Å; K218-T220 PolarHBondContact O-N 3.25Å; T220-K224 WeakPolarHBondContact O-CB 3.21Å; T220-K224 PolarHBondContact O-N 2.88Å
221K92.9Very high92.5Very high129 Ų129110.2 Ų110.256%0.56151%0.508SS*.Hα-helixtrans-63.1-48.7172.6-75.7170.2-174.7174.80111.9E217 K218 K224 Q225E217-K221 WeakPolarHBondContact O-CB 3.33Å; E217-K221 WeakPolarHBondContact O-CD 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.21Å; E217-K221 PolarHBondContact O-N 3.1Å; E217-K221 VanDerWaalsContact O-N 3.16Å; K218-K221 WeakPolarHBondContact O-CB 3.42Å; K218-K221 PolarHBondContact O-N 3.41Å; K221-K224 WeakPolarHBondContact O-CB 3.35Å; K221-K224 PolarHBondContact O-N 3.28Å; K221-Q225 WeakPolarHBondContact O-CG 3.42Å; K221-Q225 PolarHBondContact O-N 2.84Å
222I92.8Very high92.4Very high92 Ų92107.9 Ų107.947%0.47251%0.507SS..Hα-helixtrans-63.4-44.3178.4-67.5167.7000110.1K218 E219 K224 Q225 M226K218-I222 WeakPolarHBondContact O-CG1 3.33Å; K218-I222 PolarHBondContact O-N 2.82Å; E219-I222 PolarHBondContact O-N 2.88Å; I222-K224 VanDerWaalsContact C-N 3.31Å; I222-K224 PolarHBondContact O-N 2.97Å; I222-Q225 CarbonylContact O-C 3.57Å; I222-Q225 PolarHBondContact O-N 3.13Å; I222-M226 HydrophobicContact CG2-CG 4.28Å; I222-M226 HydrophobicContact CG2-SD 4.27Å; I222-M226 WeakPolarHBondContact O-CB 3.34Å; I222-M226 WeakPolarHBondContact O-CG 3.08Å; I222-M226 PolarHBondContact O-N 2.81Å
223S92Very high92.3Very high51 Ų51108 Ų10836%0.35751%0.507SS..Hα-helixtrans-63.5-34.7176.9-65.70000112.7E219 R227E219-S223 WeakPolarHBondContact O-CB 3.26Å; E219-S223 PolarHBondContact O-N 3.03Å; E219-S223 PolarHBondContact O-OG 3.45Å; S223-R227 WeakPolarHBondContact O-CG 3.29Å; S223-R227 PolarHBondContact O-N 3.14Å; S223-R227 VanDerWaalsContact O-N 3.16Å; S223-R227 PolarHBondContact O-NE 3.39Å
224K92.3Very high92.2Very high119 Ų119103.4 Ų103.452%0.51750%0.501SS..Hα-helixtrans-66.5-49171.5-175-179.5175.1-175.50110.6T220 K221 I222 M226 R227 E228T220-K224 WeakPolarHBondContact O-CB 3.21Å; T220-K224 PolarHBondContact O-N 2.88Å; K221-K224 WeakPolarHBondContact O-CB 3.35Å; K221-K224 PolarHBondContact O-N 3.28Å; I222-K224 VanDerWaalsContact C-N 3.31Å; I222-K224 PolarHBondContact O-N 2.97Å; K224-M226 PolarHBondContact O-N 3.41Å; K224-R227 PolarHBondContact O-N 2.88Å; K224-E228 WeakPolarHBondContact CE-OE1 3.49Å; K224-E228 WeakPolarHBondContact O-CG 3.32Å; K224-E228 PolarHBondContact O-N 3.38Å
225Q92.9Very high92.1Very high109 Ų109103.7 Ų103.751%0.50950%0.503SS..Hα-helixtrans-60.4-42.8177.3-73.5176.9-21.500112.6K221 I222 R227 E228 Q229K221-Q225 WeakPolarHBondContact O-CG 3.42Å; K221-Q225 PolarHBondContact O-N 2.84Å; I222-Q225 CarbonylContact O-C 3.57Å; I222-Q225 PolarHBondContact O-N 3.13Å; Q225-R227 PolarHBondContact O-N 2.83Å; Q225-E228 PolarHBondContact O-N 2.92Å; Q225-Q229 WeakPolarHBondContact O-CB 3.44Å; Q225-Q229 WeakPolarHBondContact O-CG 3.25Å; Q225-Q229 PolarHBondContact O-N 3.27Å
226M90.9Very high92Very high92 Ų92102.6 Ų102.645%0.45350%0.5SS..Hα-helixtrans-62.2-41.1175.9-77.1-172.669.900112.1I222 K224 K230I222-M226 HydrophobicContact CG2-CG 4.28Å; I222-M226 HydrophobicContact CG2-SD 4.27Å; I222-M226 WeakPolarHBondContact O-CB 3.34Å; I222-M226 WeakPolarHBondContact O-CG 3.08Å; I222-M226 PolarHBondContact O-N 2.81Å; K224-M226 PolarHBondContact O-N 3.41Å; M226-K230 WeakPolarHBondContact O-CB 3.48Å; M226-K230 WeakPolarHBondContact O-CG 3.25Å; M226-K230 PolarHBondContact O-N 2.87Å
227R91.8Very high91.6Very high174 Ų17499.4 Ų99.466%0.65749%0.494SS*.Hα-helixtrans-65.2-43.2174.8-77.7-175.7-69.2153.7-5.4111.6S223 K224 Q225 S231S223-R227 WeakPolarHBondContact O-CG 3.29Å; S223-R227 PolarHBondContact O-N 3.14Å; S223-R227 VanDerWaalsContact O-N 3.16Å; S223-R227 PolarHBondContact O-NE 3.39Å; K224-R227 PolarHBondContact O-N 2.88Å; Q225-R227 PolarHBondContact O-N 2.83Å; R227-S231 VanDerWaalsContact O-CB 3.3Å; R227-S231 WeakPolarHBondContact O-CB 3.29Å; R227-S231 PolarHBondContact O-N 3.45Å
228E91.5Very high91.4Very high106 Ų106101.4 Ų101.450%0.49550%0.503SS..Hα-helixtrans-61.3-46.4175.5-72.8171179.500111.5K224 Q225 S231 L232K224-E228 WeakPolarHBondContact CE-OE1 3.49Å; K224-E228 WeakPolarHBondContact O-CG 3.32Å; K224-E228 PolarHBondContact O-N 3.38Å; Q225-E228 PolarHBondContact O-N 2.92Å; E228-S231 PolarHBondContact O-N 3.29Å; E228-L232 WeakPolarHBondContact O-CB 3.49Å; E228-L232 PolarHBondContact O-N 3.46Å
229Q92.3Very high91.2Very high126 Ų126104.1 Ų104.159%0.58951%0.511SS*.Hα-helixtrans-65.5-45.4177.9-74.6-179.9-700112.6Q225 S231 L232 I233Q225-Q229 WeakPolarHBondContact O-CB 3.44Å; Q225-Q229 WeakPolarHBondContact O-CG 3.25Å; Q225-Q229 PolarHBondContact O-N 3.27Å; Q229-S231 VanDerWaalsContact C-N 3.31Å; Q229-S231 PolarHBondContact O-N 2.84Å; Q229-L232 PolarHBondContact O-N 2.81Å; Q229-L232 VanDerWaalsContact O-N 3.13Å; Q229-I233 WeakPolarHBondContact O-CG1 3.27Å; Q229-I233 PolarHBondContact O-N 2.84Å
230K93.6Very high90.8Very high140 Ų140102.9 Ų102.961%0.60951%0.507SS*.Hα-helixtrans-60.3-41.5174.7-77-177.7177-173.60111.7M226 L232 I233 A234M226-K230 WeakPolarHBondContact O-CB 3.48Å; M226-K230 WeakPolarHBondContact O-CG 3.25Å; M226-K230 PolarHBondContact O-N 2.87Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 3.35Å; K230-I233 PolarHBondContact O-N 3.21Å; K230-A234 WeakPolarHBondContact O-CB 3.43Å; K230-A234 PolarHBondContact O-N 2.84Å
231S91Very high90.3Very high79 Ų79102.7 Ų102.755%0.55250%0.5SS*.Hα-helixtrans-64.2-36.3175-175.60000112.2R227 E228 Q229 N235R227-S231 VanDerWaalsContact O-CB 3.3Å; R227-S231 WeakPolarHBondContact O-CB 3.29Å; R227-S231 PolarHBondContact O-N 3.45Å; E228-S231 PolarHBondContact O-N 3.29Å; Q229-S231 VanDerWaalsContact C-N 3.31Å; Q229-S231 PolarHBondContact O-N 2.84Å; S231-N235 WeakPolarHBondContact O-CB 3.27Å; S231-N235 PolarHBondContact O-N 3.47Å; S231-N235 VanDerWaalsContact O-N 3.08Å
232L91.4Very high89.7Confident109 Ų109100 Ų10057%0.57149%0.491SS*.Hα-helixtrans-71-43.8178.1-175.7134.4000111.7E228 Q229 K230 N235 I236E228-L232 WeakPolarHBondContact O-CB 3.49Å; E228-L232 PolarHBondContact O-N 3.46Å; Q229-L232 PolarHBondContact O-N 2.81Å; Q229-L232 VanDerWaalsContact O-N 3.13Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 3.35Å; L232-N235 WeakPolarHBondContact O-CB 3.25Å; L232-N235 PolarHBondContact O-N 2.88Å; L232-I236 HydrophobicContact CD2-CD1 3.58Å; L232-I236 HydrophobicContact CG-CD1 4.22Å; L232-I236 WeakPolarHBondContact O-CG1 3.39Å; L232-I236 PolarHBondContact O-N 2.78Å
233I91.6Very high89.2Confident95 Ų9599.6 Ų99.649%0.48749%0.493SS..Hα-helixtrans-59.5-50.3174.3-68.2167.6000110Q229 K230 N235 I236 D237Q229-I233 WeakPolarHBondContact O-CG1 3.27Å; Q229-I233 PolarHBondContact O-N 2.84Å; K230-I233 PolarHBondContact O-N 3.21Å; I233-N235 VanDerWaalsContact C-N 3.27Å; I233-N235 PolarHBondContact O-N 3.37Å; I233-I236 PolarHBondContact O-N 3.35Å; I233-D237 WeakPolarHBondContact CG2-OD2 3.32Å; I233-D237 PolarHBondContact O-N 3.48Å
234A91.3Very high88.7Confident55 Ų55101.5 Ų101.546%0.45550%0.496SS..Hα-helixtrans-58.5-37.3177.500000112.8K230 Q238K230-A234 WeakPolarHBondContact O-CB 3.43Å; K230-A234 PolarHBondContact O-N 2.84Å; A234-Q238 VanDerWaalsContact O-CB 3.28Å; A234-Q238 WeakPolarHBondContact O-CB 3.42Å; A234-Q238 PolarHBondContact O-N 3.48Å
235N90.8Very high88.2Confident76 Ų7697.7 Ų97.741%0.40648%0.48SS..Hα-helixtrans-66.6-42.6175.1-167.9-45.5000111.7S231 L232 I233 Q238 R239S231-N235 WeakPolarHBondContact O-CB 3.27Å; S231-N235 PolarHBondContact O-N 3.47Å; S231-N235 VanDerWaalsContact O-N 3.08Å; L232-N235 WeakPolarHBondContact O-CB 3.25Å; L232-N235 PolarHBondContact O-N 2.88Å; I233-N235 VanDerWaalsContact C-N 3.27Å; I233-N235 PolarHBondContact O-N 3.37Å; N235-Q238 PolarHBondContact O-N 2.77Å; N235-R239 WeakPolarHBondContact O-CB 3.33Å; N235-R239 VanDerWaalsContact O-CG 3.28Å; N235-R239 WeakPolarHBondContact O-CG 3.48Å; N235-R239 PolarHBondContact O-N 2.8Å; N235-R239 PolarHBondContact OD1-NE 2.84Å
236I89.1Confident87.6Confident80 Ų8097.6 Ų97.641%0.4148%0.48SS..Hα-helixtrans-66.1-45.6177.3-68.4171.7000110.7L232 I233 Q238 R239 I240L232-I236 HydrophobicContact CD2-CD1 3.58Å; L232-I236 HydrophobicContact CG-CD1 4.22Å; L232-I236 WeakPolarHBondContact O-CG1 3.39Å; L232-I236 PolarHBondContact O-N 2.78Å; I233-I236 PolarHBondContact O-N 3.35Å; I236-Q238 VanDerWaalsContact C-N 3.33Å; I236-Q238 PolarHBondContact O-N 2.83Å; I236-R239 CarbonylContact O-C 3.58Å; I236-R239 WeakPolarHBondContact O-CB 3.3Å; I236-R239 PolarHBondContact O-N 3.44Å; I236-R239 VanDerWaalsContact O-N 3.1Å; I236-I240 HydrophobicContact CG2-CD1 3.86Å; I236-I240 HydrophobicContact CG2-CG1 4.38Å; I236-I240 WeakPolarHBondContact O-CG1 3.43Å; I236-I240 PolarHBondContact O-N 3.24Å
237D86.6Confident87.1Confident83 Ų8397 Ų9744%0.44448%0.478SS..Hα-helixtrans-60-44.1176.7-72.2-27000111.1I233 R239 I240 Q241I233-D237 WeakPolarHBondContact CG2-OD2 3.32Å; I233-D237 PolarHBondContact O-N 3.48Å; D237-R239 VanDerWaalsContact C-N 3.34Å; D237-R239 PolarHBondContact O-N 2.87Å; D237-I240 PolarHBondContact O-N 3.24Å; D237-Q241 WeakPolarHBondContact O-CG 3.38Å; D237-Q241 PolarHBondContact O-N 3.36Å
238Q86.3Confident86.5Confident115 Ų11592.2 Ų92.254%0.53746%0.462SS..Hα-helixtrans-61.1-41.4174.1-171.6-178-1.600111.6A234 N235 I236 Q241 I242A234-Q238 VanDerWaalsContact O-CB 3.28Å; A234-Q238 WeakPolarHBondContact O-CB 3.42Å; A234-Q238 PolarHBondContact O-N 3.48Å; N235-Q238 PolarHBondContact O-N 2.77Å; I236-Q238 VanDerWaalsContact C-N 3.33Å; I236-Q238 PolarHBondContact O-N 2.83Å; Q238-Q241 PolarHBondContact O-N 3.27Å; Q238-I242 HydrophobicContact CG-CD1 3.98Å; Q238-I242 WeakPolarHBondContact O-CB 3.43Å; Q238-I242 WeakPolarHBondContact O-CD1 3.45Å; Q238-I242 WeakPolarHBondContact O-CG1 3.47Å; Q238-I242 PolarHBondContact O-N 3.1Å
239R88.3Confident85.9Confident163 Ų16389.7 Ų89.762%0.61545%0.45SS*.Hα-helixtrans-63.9-41175-76172.6178.9-125.8-2112.2N235 I236 D237 I242 T243N235-R239 WeakPolarHBondContact O-CB 3.33Å; N235-R239 VanDerWaalsContact O-CG 3.28Å; N235-R239 WeakPolarHBondContact O-CG 3.48Å; N235-R239 PolarHBondContact O-N 2.8Å; N235-R239 PolarHBondContact OD1-NE 2.84Å; I236-R239 CarbonylContact O-C 3.58Å; I236-R239 WeakPolarHBondContact O-CB 3.3Å; I236-R239 PolarHBondContact O-N 3.44Å; I236-R239 VanDerWaalsContact O-N 3.1Å; D237-R239 VanDerWaalsContact C-N 3.34Å; D237-R239 PolarHBondContact O-N 2.87Å; R239-I242 PolarHBondContact O-N 3.36Å; R239-T243 WeakPolarHBondContact O-CB 3.4Å; R239-T243 PolarHBondContact O-N 2.84Å; R239-T243 PolarHBondContact O-OG1 2.94Å
240I83.8Confident85.1Confident80 Ų8088.6 Ų88.641%0.4145%0.448SS..Hα-helixtrans-62.8-48.4176.7-70.3168.9000109.5I236 D237 I242 T243 Q244I236-I240 HydrophobicContact CG2-CD1 3.86Å; I236-I240 HydrophobicContact CG2-CG1 4.38Å; I236-I240 WeakPolarHBondContact O-CG1 3.43Å; I236-I240 PolarHBondContact O-N 3.24Å; D237-I240 PolarHBondContact O-N 3.24Å; I240-I242 PolarHBondContact O-N 2.85Å; I240-T243 PolarHBondContact O-N 3.3Å; I240-Q244 HydrophobicContact CG2-CG 4.27Å; I240-Q244 WeakPolarHBondContact O-CB 3.46Å; I240-Q244 VanDerWaalsContact O-CG 3.29Å; I240-Q244 WeakPolarHBondContact O-CG 3.4Å; I240-Q244 PolarHBondContact O-N 2.87Å
241Q83.1Confident84.4Confident84 Ų8490.5 Ų90.539%0.39345%0.451SS..Hα-helixtrans-57.6-46.8176.2-73.8176.8-0.800111.9D237 Q238 T243 Q244 Q245D237-Q241 WeakPolarHBondContact O-CG 3.38Å; D237-Q241 PolarHBondContact O-N 3.36Å; Q238-Q241 PolarHBondContact O-N 3.27Å; Q241-T243 PolarHBondContact O-N 3.22Å; Q241-Q244 PolarHBondContact O-N 2.81Å; Q241-Q245 WeakPolarHBondContact O-CB 3.49Å; Q241-Q245 PolarHBondContact O-N 3.17Å
242I80.5Confident83.8Confident73 Ų7394.1 Ų94.137%0.37446%0.457SS..Hα-helixtrans-60.5-46.2176.6-69.6164.8000110.7Q238 R239 I240 Q245 Q246Q238-I242 HydrophobicContact CG-CD1 3.98Å; Q238-I242 WeakPolarHBondContact O-CB 3.43Å; Q238-I242 WeakPolarHBondContact O-CD1 3.45Å; Q238-I242 WeakPolarHBondContact O-CG1 3.47Å; Q238-I242 PolarHBondContact O-N 3.1Å; R239-I242 PolarHBondContact O-N 3.36Å; I240-I242 PolarHBondContact O-N 2.85Å; I242-Q245 PolarHBondContact O-N 3.05Å; I242-Q246 HydrophobicContact CG2-CG 4.39Å; I242-Q246 WeakPolarHBondContact O-CB 3.33Å; I242-Q246 VanDerWaalsContact O-CG 3.31Å; I242-Q246 WeakPolarHBondContact O-CG 3.44Å; I242-Q246 PolarHBondContact O-N 3.39Å
243T81.9Confident82.9Confident83 Ų8389.5 Ų89.551%0.50943%0.434SS..Hα-helixtrans-66.2-40.7-178.4-52.20000111.2R239 I240 Q241 Q246 L247R239-T243 WeakPolarHBondContact O-CB 3.4Å; R239-T243 PolarHBondContact O-N 2.84Å; R239-T243 PolarHBondContact O-OG1 2.94Å; I240-T243 PolarHBondContact O-N 3.3Å; Q241-T243 PolarHBondContact O-N 3.22Å; T243-Q246 PolarHBondContact O-N 3.37Å; T243-L247 WeakPolarHBondContact O-CB 3.19Å; T243-L247 PolarHBondContact O-N 2.81Å
244Q82.4Confident82.1Confident91 Ų9189.5 Ų89.543%0.42544%0.439SS..Hα-helixtrans-65.8-38.9174.5-73.1175.8-10.800111.8I240 Q241 L247 K248I240-Q244 HydrophobicContact CG2-CG 4.27Å; I240-Q244 WeakPolarHBondContact O-CB 3.46Å; I240-Q244 VanDerWaalsContact O-CG 3.29Å; I240-Q244 WeakPolarHBondContact O-CG 3.4Å; I240-Q244 PolarHBondContact O-N 2.87Å; Q241-Q244 PolarHBondContact O-N 2.81Å; Q244-L247 PolarHBondContact O-N 3.47Å; Q244-K248 VanDerWaalsContact O-CG 3.31Å; Q244-K248 WeakPolarHBondContact O-CG 3.32Å; Q244-K248 PolarHBondContact O-N 3.04Å
245Q80.9Confident81.3Confident39 Ų3992.4 Ų92.418%0.18245%0.451CS..Hα-helixtrans-64.1-47.5174-178.1175.5-5.200111.1Q241 I242 L247 K248 E249Q241-Q245 WeakPolarHBondContact O-CB 3.49Å; Q241-Q245 PolarHBondContact O-N 3.17Å; I242-Q245 PolarHBondContact O-N 3.05Å; Q245-L247 VanDerWaalsContact C-N 3.3Å; Q245-L247 PolarHBondContact O-N 3.32Å; Q245-K248 PolarHBondContact O-N 3.47Å; Q245-E249 HydrophobicContact CG-CG 4.34Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.28Å; Q245-E249 PolarHBondContact NE2-OE1 3.42Å; Q245-E249 WeakPolarHBondContact O-CB 3.44Å; Q245-E249 WeakPolarHBondContact O-CG 3.5Å; Q245-E249 PolarHBondContact O-N 2.95Å
246Q81Confident80.3Confident107 Ų10792.9 Ų92.950%0.547%0.474SS..Hα-helixtrans-58-42.6175.2-74.6175.3-14.600111.6I242 T243 E249 L250I242-Q246 HydrophobicContact CG2-CG 4.39Å; I242-Q246 WeakPolarHBondContact O-CB 3.33Å; I242-Q246 VanDerWaalsContact O-CG 3.31Å; I242-Q246 WeakPolarHBondContact O-CG 3.44Å; I242-Q246 PolarHBondContact O-N 3.39Å; T243-Q246 PolarHBondContact O-N 3.37Å; Q246-E249 PolarHBondContact O-N 2.86Å; Q246-L250 VanDerWaalsContact O-CB 3.32Å; Q246-L250 WeakPolarHBondContact O-CB 3.22Å; Q246-L250 VanDerWaalsContact O-CG 3.29Å; Q246-L250 WeakPolarHBondContact O-CG 3.49Å; Q246-L250 PolarHBondContact O-N 3Å
247L80.3Confident79.6Confident79 Ų7991.1 Ų91.141%0.41447%0.469SS..Hα-helixtrans-63.6-43.3176.7-163.1165.7000111.4T243 Q244 Q245 R251T243-L247 WeakPolarHBondContact O-CB 3.19Å; T243-L247 PolarHBondContact O-N 2.81Å; Q244-L247 PolarHBondContact O-N 3.47Å; Q245-L247 VanDerWaalsContact C-N 3.3Å; Q245-L247 PolarHBondContact O-N 3.32Å; L247-R251 HydrophobicContact CD2-CG 4.02Å; L247-R251 VanDerWaalsContact CD2-CZ 3.48Å; L247-R251 WeakPolarHBondContact O-CB 3.28Å; L247-R251 WeakPolarHBondContact O-CG 3.36Å; L247-R251 PolarHBondContact O-N 2.87Å
248K79.5Confident79.3Confident74 Ų7491.5 Ų91.532%0.32247%0.474SS..Hα-helixtrans-65.1-41.7175.2-73.5171.2-174.5169.50112.2Q244 Q245 R251 K252 E377Q244-K248 VanDerWaalsContact O-CG 3.31Å; Q244-K248 WeakPolarHBondContact O-CG 3.32Å; Q244-K248 PolarHBondContact O-N 3.04Å; Q245-K248 PolarHBondContact O-N 3.47Å; K248-R251 PolarHBondContact O-N 3.46Å; K248-K252 WeakPolarHBondContact O-CB 3.49Å; K248-K252 WeakPolarHBondContact O-CG 3.41Å; K248-K252 PolarHBondContact O-N 3.09Å; K248-E377 IonicContact NZ-OE1 3.87Å; K248-E377 PolarHBondContact NZ-OE1 3.25Å
249E77.7Confident79Confident52 Ų5289.5 Ų89.524%0.24348%0.477CS..Hα-helixtrans-65.8-42.8177.4-75.2177.8-172.800111.2Q245 Q246 K252 A253Q245-E249 HydrophobicContact CG-CG 4.34Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.28Å; Q245-E249 PolarHBondContact NE2-OE1 3.42Å; Q245-E249 WeakPolarHBondContact O-CB 3.44Å; Q245-E249 WeakPolarHBondContact O-CG 3.5Å; Q245-E249 PolarHBondContact O-N 2.95Å; Q246-E249 PolarHBondContact O-N 2.86Å; E249-K252 PolarHBondContact O-N 3.07Å; E249-A253 VanDerWaalsContact O-CB 3.25Å; E249-A253 WeakPolarHBondContact O-CB 3.38Å; E249-A253 PolarHBondContact O-N 3.11Å
250L75.6Confident78.8Confident103 Ų10386.1 Ų86.154%0.53948%0.475SS..Hα-helixtrans-61.3-47.5172.4-76.4168.2000111.4Q246 K252 A253 T254Q246-L250 VanDerWaalsContact O-CB 3.32Å; Q246-L250 WeakPolarHBondContact O-CB 3.22Å; Q246-L250 VanDerWaalsContact O-CG 3.29Å; Q246-L250 WeakPolarHBondContact O-CG 3.49Å; Q246-L250 PolarHBondContact O-N 3Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.37Å; L250-A253 PolarHBondContact O-N 2.87Å; L250-A253 VanDerWaalsContact O-N 3.13Å; L250-T254 PolarHBondContact O-N 3.18Å; L250-T254 PolarHBondContact O-OG1 3.01Å
251R78.7Confident78.7Confident181 Ų18184.2 Ų84.268%0.68347%0.471SS*.Hα-helixtrans-58.4-43.1175.7-79.3-178.3179.2173.54.3112.5L247 K248 A253 T255L247-R251 HydrophobicContact CD2-CG 4.02Å; L247-R251 VanDerWaalsContact CD2-CZ 3.48Å; L247-R251 WeakPolarHBondContact O-CB 3.28Å; L247-R251 WeakPolarHBondContact O-CG 3.36Å; L247-R251 PolarHBondContact O-N 2.87Å; K248-R251 PolarHBondContact O-N 3.46Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-T255 PolarHBondContact O-N 2.91Å; R251-T255 PolarHBondContact O-OG1 3.38Å
252K78.2Confident78.6Confident155 Ų15582.4 Ų82.467%0.67446%0.464SS*.Hα-helixtrans-68.5-32.3176.2-75.6179.3-179.9-178.30112.6K248 E249 L250 T255K248-K252 WeakPolarHBondContact O-CB 3.49Å; K248-K252 WeakPolarHBondContact O-CG 3.41Å; K248-K252 PolarHBondContact O-N 3.09Å; E249-K252 PolarHBondContact O-N 3.07Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.37Å; K252-T255 PolarHBondContact O-OG1 3.37Å
253A73.9Confident78.8Confident12 Ų1283.5 Ų83.510%0.09947%0.47CS..Hα-helixtrans-74.2-38.5177.500000110.7E249 L250 R251 T255 S257 L262E249-A253 VanDerWaalsContact O-CB 3.25Å; E249-A253 WeakPolarHBondContact O-CB 3.38Å; E249-A253 PolarHBondContact O-N 3.11Å; L250-A253 PolarHBondContact O-N 2.87Å; L250-A253 VanDerWaalsContact O-N 3.13Å; R251-A253 VanDerWaalsContact C-N 3.34Å; A253-T255 VanDerWaalsContact C-N 3.27Å; A253-T255 PolarHBondContact O-N 3.48Å; A253-S257 VanDerWaalsContact O-CB 3.27Å; A253-S257 WeakPolarHBondContact O-CB 3.3Å; A253-S257 PolarHBondContact O-OG 3.03Å; A253-L262 HydrophobicContact CB-CD2 3.54Å
254T73.8Confident79Confident95 Ų9585.4 Ų85.458%0.58347%0.472SS*.Hα-helixtrans-64.2-28.6178.3-54.30000112.9L250 G256L250-T254 PolarHBondContact O-N 3.18Å; L250-T254 PolarHBondContact O-OG1 3.01Å; T254-G256 PolarHBondContact O-N 3.04Å
255T74.6Confident79Confident115 Ų11586.1 Ų86.171%0.70647%0.471SS*.THydrogen-bonded Turntrans-73.791.9175.528.80000111.9R251 K252 A253R251-T255 PolarHBondContact O-N 2.91Å; R251-T255 PolarHBondContact O-OG1 3.38Å; K252-T255 PolarHBondContact O-OG1 3.37Å; A253-T255 VanDerWaalsContact C-N 3.27Å; A253-T255 PolarHBondContact O-N 3.48Å
256G70.1Confident79.2Confident86 Ų8688.4 Ų88.489%0.88748%0.484SS*.THydrogen-bonded Turntrans96.75.416700000116.2T254T254-G256 PolarHBondContact O-N 3.04Å
257S73.8Confident79.6Confident44 Ų4488 Ų8831%0.30848%0.482SS..  trans-96146.617568.40000112.5A253 L262A253-S257 VanDerWaalsContact O-CB 3.27Å; A253-S257 WeakPolarHBondContact O-CB 3.3Å; A253-S257 PolarHBondContact O-OG 3.03Å; S257-L262 WeakPolarHBondContact OG-CD2 3.36Å; S257-L262 WeakPolarHBondContact OG-CG 3.28Å
258T80.1Confident79.9Confident91 Ų9190 Ų9056%0.55849%0.49SS*.  trans-75151.6169.253.70000110T260 A261 L262T258-T260 PolarHBondContact O-N 2.89Å; T258-T260 VanDerWaalsContact O-N 3.11Å; T258-T260 PolarHBondContact OG1-OG1 2.92Å; T258-T260 VanDerWaalsContact OG1-OG1 3.11Å; T258-A261 WeakPolarHBondContact O-CB 3.41Å; T258-A261 PolarHBondContact O-N 3.45Å; T258-L262 PolarHBondContact O-N 2.93Å
259A80.1Confident80.2Confident72 Ų7289.6 Ų89.660%0.59549%0.489SS*.Hα-helixtrans-53.6-34.8178.100000112.7L262 I263A259-L262 PolarHBondContact O-N 3.26Å; A259-I263 WeakPolarHBondContact O-CG1 3.33Å; A259-I263 PolarHBondContact O-N 3.41Å; A259-I263 VanDerWaalsContact O-N 3.07Å
260T85.2Confident80.8Confident93 Ų9391 Ų9157%0.57150%0.5SS*.Hα-helixtrans-64.5-39.8176.354.50000112.7T258 I263 Q264T258-T260 PolarHBondContact O-N 2.89Å; T258-T260 VanDerWaalsContact O-N 3.11Å; T258-T260 PolarHBondContact OG1-OG1 2.92Å; T258-T260 VanDerWaalsContact OG1-OG1 3.11Å; T260-I263 PolarHBondContact O-N 3.43Å; T260-Q264 WeakPolarHBondContact O-CG 3.15Å; T260-Q264 PolarHBondContact O-N 3.24Å
261A82.3Confident81.5Confident40 Ų4092.4 Ų92.433%0.33150%0.502SS..Hα-helixtrans-69.2-36.8177.800000111.8T258 R265T258-A261 WeakPolarHBondContact O-CB 3.41Å; T258-A261 PolarHBondContact O-N 3.45Å; A261-R265 PolarHBondContact O-N 3.44Å; A261-R265 VanDerWaalsContact O-N 3.09Å
262L79.8Confident81.9Confident46 Ų4686.4 Ų86.424%0.24148%0.483CS..Hα-helixtrans-62.5-45173.4-69.7174.4000111.9A253 S257 T258 A259 R265 I266A253-L262 HydrophobicContact CB-CD2 3.54Å; S257-L262 WeakPolarHBondContact OG-CD2 3.36Å; S257-L262 WeakPolarHBondContact OG-CG 3.28Å; T258-L262 PolarHBondContact O-N 2.93Å; A259-L262 PolarHBondContact O-N 3.26Å; L262-R265 PolarHBondContact O-N 2.91Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 2.68Å
263I85Confident82.4Confident96 Ų9682.5 Ų82.549%0.49247%0.47SS..Hα-helixtrans-62.5-47.4178.1-68.3166.4000110.6A259 T260 R265 I266 E267A259-I263 WeakPolarHBondContact O-CG1 3.33Å; A259-I263 PolarHBondContact O-N 3.41Å; A259-I263 VanDerWaalsContact O-N 3.07Å; T260-I263 PolarHBondContact O-N 3.43Å; I263-R265 VanDerWaalsContact C-N 3.3Å; I263-R265 PolarHBondContact O-N 2.94Å; I263-I266 PolarHBondContact O-N 2.83Å; I263-E267 HydrophobicContact CG2-CG 4.33Å; I263-E267 WeakPolarHBondContact O-CG 3.4Å; I263-E267 PolarHBondContact O-N 3.44Å
264Q86Confident83.2Confident122 Ų12288 Ų8857%0.5749%0.493SS*.Hα-helixtrans-57.3-43177.9-75.6177.8-6.400112.2T260 E267 E268T260-Q264 WeakPolarHBondContact O-CG 3.15Å; T260-Q264 PolarHBondContact O-N 3.24Å; Q264-E267 PolarHBondContact O-N 3.4Å; Q264-E268 WeakPolarHBondContact O-CG 3.33Å; Q264-E268 PolarHBondContact O-N 2.83Å
265R83.3Confident83.9Confident106 Ų10685 Ų8540%0.447%0.472SS..Hα-helixtrans-64.2-43.8176.7-175.1177.5174.8163.51.5112.5A261 L262 I263 E267 E268 E269A261-R265 PolarHBondContact O-N 3.44Å; A261-R265 VanDerWaalsContact O-N 3.09Å; L262-R265 PolarHBondContact O-N 2.91Å; I263-R265 VanDerWaalsContact C-N 3.3Å; I263-R265 PolarHBondContact O-N 2.94Å; R265-E267 VanDerWaalsContact C-N 3.31Å; R265-E267 PolarHBondContact O-N 2.89Å; R265-E268 PolarHBondContact O-N 3.17Å; R265-E269 IonicContact CZ-OE1 3.62Å; R265-E269 IonicContact NE-OE1 3.94Å; R265-E269 PolarHBondContact NE-OE1 3.31Å; R265-E269 VanDerWaalsContact NE-OE1 3.14Å; R265-E269 IonicContact NH2-OE1 3.99Å; R265-E269 WeakPolarHBondContact O-CB 3.41Å; R265-E269 WeakPolarHBondContact O-CG 3.24Å; R265-E269 PolarHBondContact O-N 3.27Å
266I84.8Confident84.6Confident88 Ų8880.4 Ų80.445%0.45144%0.443SS..Hα-helixtrans-63.7-39176.7-69168.4000110.6L262 I263 E269 T270L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 2.68Å; I263-I266 PolarHBondContact O-N 2.83Å; I266-E269 PolarHBondContact O-N 2.98Å; I266-T270 VanDerWaalsContact O-CB 3.28Å; I266-T270 WeakPolarHBondContact O-CB 3.48Å; I266-T270 PolarHBondContact O-N 3.42Å; I266-T270 PolarHBondContact O-OG1 3.37Å
267E89.3Confident85.5Confident99 Ų9982.1 Ų82.146%0.46343%0.431SS..Hα-helixtrans-63.6-42.5175.2-74.3-179-179.400112.1I263 Q264 R265 T270 K271I263-E267 HydrophobicContact CG2-CG 4.33Å; I263-E267 WeakPolarHBondContact O-CG 3.4Å; I263-E267 PolarHBondContact O-N 3.44Å; Q264-E267 PolarHBondContact O-N 3.4Å; R265-E267 VanDerWaalsContact C-N 3.31Å; R265-E267 PolarHBondContact O-N 2.89Å; E267-T270 PolarHBondContact O-N 2.81Å; E267-K271 VanDerWaalsContact O-CG 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 3.25Å
268E87.3Confident86.2Confident121 Ų12183.6 Ų83.657%0.56544%0.441SS*.Hα-helixtrans-62.8-47.5174.2-73.4178.2-179.500111.9Q264 R265 T270 K271 I272Q264-E268 WeakPolarHBondContact O-CG 3.33Å; Q264-E268 PolarHBondContact O-N 2.83Å; R265-E268 PolarHBondContact O-N 3.17Å; E268-T270 VanDerWaalsContact C-N 3.3Å; E268-T270 PolarHBondContact O-N 2.96Å; E268-K271 PolarHBondContact O-N 2.86Å; E268-I272 VanDerWaalsContact O-CG1 3.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.34Å; E268-I272 PolarHBondContact O-N 2.96Å
269E85Confident86.4Confident65 Ų6582.4 Ų82.430%0.30443%0.429SS..Hα-helixtrans-60.9-39.6176-74.3177.4-165.700111.5R265 I266 I272 N273R265-E269 IonicContact CZ-OE1 3.62Å; R265-E269 IonicContact NE-OE1 3.94Å; R265-E269 PolarHBondContact NE-OE1 3.31Å; R265-E269 VanDerWaalsContact NE-OE1 3.14Å; R265-E269 IonicContact NH2-OE1 3.99Å; R265-E269 WeakPolarHBondContact O-CB 3.41Å; R265-E269 WeakPolarHBondContact O-CG 3.24Å; R265-E269 PolarHBondContact O-N 3.27Å; I266-E269 PolarHBondContact O-N 2.98Å; E269-I272 PolarHBondContact O-N 2.76Å; E269-N273 VanDerWaalsContact O-CB 3.31Å; E269-N273 WeakPolarHBondContact O-CB 3.5Å; E269-N273 PolarHBondContact O-N 3.38Å; E269-N273 PolarHBondContact O-ND2 3.2Å
270T89.5Confident86.7Confident80 Ų8080 Ų8049%0.49141%0.405SS..Hα-helixtrans-65.4-43.9176.4-56.80000111.3I266 E267 E268 I272 N273 Q274I266-T270 VanDerWaalsContact O-CB 3.28Å; I266-T270 WeakPolarHBondContact O-CB 3.48Å; I266-T270 PolarHBondContact O-N 3.42Å; I266-T270 PolarHBondContact O-OG1 3.37Å; E267-T270 PolarHBondContact O-N 2.81Å; E268-T270 VanDerWaalsContact C-N 3.3Å; E268-T270 PolarHBondContact O-N 2.96Å; T270-I272 PolarHBondContact O-N 3.41Å; T270-N273 PolarHBondContact O-N 3.05Å; T270-Q274 VanDerWaalsContact O-CB 3.29Å; T270-Q274 WeakPolarHBondContact O-CB 3.26Å; T270-Q274 PolarHBondContact O-N 3.46Å
271K90.8Very high86.8Confident133 Ų13379.3 Ų79.358%0.57840%0.398SS*.Hα-helixtrans-62.2-42.3175.5-74.5168.9-175.21660111.9E267 E268 Q274 Y275E267-K271 VanDerWaalsContact O-CG 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 3.25Å; E268-K271 PolarHBondContact O-N 2.86Å; K271-Q274 PolarHBondContact O-N 2.83Å; K271-Y275 PolarHBondContact O-N 2.55Å
272I88.2Confident87.3Confident56 Ų5680.1 Ų80.129%0.28740%0.399SS..Hα-helixtrans-63.4-48.3175.9-67.4163.6000110.1E268 E269 T270 Q274 Y275 M276 L362E268-I272 VanDerWaalsContact O-CG1 3.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.34Å; E268-I272 PolarHBondContact O-N 2.96Å; E269-I272 PolarHBondContact O-N 2.76Å; T270-I272 PolarHBondContact O-N 3.41Å; I272-Q274 VanDerWaalsContact C-N 3.32Å; I272-Q274 PolarHBondContact O-N 2.99Å; I272-Y275 PolarHBondContact O-N 2.81Å; I272-M276 HydrophobicContact CG2-CG 4.47Å; I272-M276 VanDerWaalsContact O-CG 3.32Å; I272-M276 WeakPolarHBondContact O-CG 3.5Å; I272-M276 PolarHBondContact O-N 3.33Å; I272-L362 HydrophobicContact CD1-CD1 4.12Å; I272-L362 HydrophobicContact CG2-CD1 3.85Å
273N87.4Confident87.7Confident73 Ų7382.7 Ų82.739%0.3941%0.409SS..Hα-helixtrans-64-37.2179.5-70.6-20.5000111.8E269 T270 M276 L277E269-N273 VanDerWaalsContact O-CB 3.31Å; E269-N273 WeakPolarHBondContact O-CB 3.5Å; E269-N273 PolarHBondContact O-N 3.38Å; E269-N273 PolarHBondContact O-ND2 3.2Å; T270-N273 PolarHBondContact O-N 3.05Å; N273-M276 PolarHBondContact O-N 3.18Å; N273-L277 WeakPolarHBondContact O-CB 3.3Å; N273-L277 WeakPolarHBondContact O-CG 3.42Å; N273-L277 PolarHBondContact O-N 3.48Å
274Q91.9Very high87.8Confident127 Ų12782 Ų8259%0.59340%0.404SS*.Hα-helixtrans-62.2-43173.7-172.4179.111.400111.6T270 K271 I272 L277 S278T270-Q274 VanDerWaalsContact O-CB 3.29Å; T270-Q274 WeakPolarHBondContact O-CB 3.26Å; T270-Q274 PolarHBondContact O-N 3.46Å; K271-Q274 PolarHBondContact O-N 2.83Å; I272-Q274 VanDerWaalsContact C-N 3.32Å; I272-Q274 PolarHBondContact O-N 2.99Å; Q274-L277 PolarHBondContact O-N 3.36Å; Q274-S278 VanDerWaalsContact O-CB 3.26Å; Q274-S278 WeakPolarHBondContact O-CB 3.5Å; Q274-S278 PolarHBondContact O-N 2.85Å; Q274-S278 PolarHBondContact O-OG 3.48Å
275Y88.5Confident88Confident31 Ų3180.6 Ų80.612%0.12240%0.399CS..Hα-helixtrans-63-43.2173.6169.4-111.1000112.2K271 I272 L277 E279 K280 K355 A359K271-Y275 PolarHBondContact O-N 2.55Å; I272-Y275 PolarHBondContact O-N 2.81Å; Y275-L277 VanDerWaalsContact C-N 3.34Å; Y275-L277 PolarHBondContact O-N 2.94Å; Y275-E279 HydrophobicContact CD2-CB 3.83Å; Y275-E279 HydrophobicContact CD2-CG 4.05Å; Y275-E279 HydrophobicContact CE2-CB 3.65Å; Y275-E279 VanDerWaalsContact CE2-CD 3.46Å; Y275-E279 HydrophobicContact CE2-CG 4.07Å; Y275-E279 WeakPolarHBondContact CE2-OE2 3.43Å; Y275-E279 PolarHBondContact O-N 3.45Å; Y275-K280 PolarHBondContact O-N 2.85Å; Y275-K355 HydrophobicContact CD2-CD 4.19Å; Y275-K355 HydrophobicContact CE1-CG 4.23Å; Y275-K355 HydrophobicContact CE2-CD 3.53Å; Y275-K355 HydrophobicContact CE2-CG 4.13Å; Y275-A359 HydrophobicContact CE1-CB 3.87Å
276M87.4Confident88.5Confident20 Ų2080.5 Ų80.510%0.09941%0.406CS..Iπ-helixtrans-61.1-42.6177.2-66-65.1-70.600111.6I272 N273 K280 L281 T363I272-M276 HydrophobicContact CG2-CG 4.47Å; I272-M276 VanDerWaalsContact O-CG 3.32Å; I272-M276 WeakPolarHBondContact O-CG 3.5Å; I272-M276 PolarHBondContact O-N 3.33Å; N273-M276 PolarHBondContact O-N 3.18Å; M276-K280 HydrophobicContact CE-CD 3.69Å; M276-K280 PolarHBondContact O-N 3.24Å; M276-K280 HydrophobicContact SD-CB 4.26Å; M276-K280 HydrophobicContact SD-CD 3.65Å; M276-L281 HydrophobicContact CB-CD1 4.32Å; M276-L281 VanDerWaalsContact O-CB 3.27Å; M276-L281 WeakPolarHBondContact O-CB 3.3Å; M276-L281 WeakPolarHBondContact O-CG 3.28Å; M276-L281 PolarHBondContact O-N 3.29Å; M276-T363 HydrophobicContact CE-CG2 4.07Å
277L89.4Confident88.8Confident121 Ų12181.1 Ų81.163%0.63441%0.41SS*.Iπ-helixtrans-77.6-31.4-178.9-72.9172.7000114.5N273 Q274 Y275 L281 P282N273-L277 WeakPolarHBondContact O-CB 3.3Å; N273-L277 WeakPolarHBondContact O-CG 3.42Å; N273-L277 PolarHBondContact O-N 3.48Å; Q274-L277 PolarHBondContact O-N 3.36Å; Y275-L277 VanDerWaalsContact C-N 3.34Å; Y275-L277 PolarHBondContact O-N 2.94Å; L277-L281 HydrophobicContact CD2-CD1 4.25Å; L277-P282 VanDerWaalsContact O-CD 3.24Å; L277-P282 WeakPolarHBondContact O-CD 3.32Å; L277-P282 WeakPolarHBondContact O-CG 3.29Å
278S89.5Confident88.9Confident75 Ų7581.3 Ų81.352%0.52441%0.414SS..Iπ-helixtrans-89.8-35-177.157.70000113.3Q274Q274-S278 VanDerWaalsContact O-CB 3.26Å; Q274-S278 WeakPolarHBondContact O-CB 3.5Å; Q274-S278 PolarHBondContact O-N 2.85Å; Q274-S278 PolarHBondContact O-OG 3.48Å
279E84.6Confident89.2Confident67 Ų6781.3 Ų81.331%0.31341%0.412SS..Iπ-helixtrans-116.6-52.5-171.9-71.1-167.9-126.600114Y275 K283 K355Y275-E279 HydrophobicContact CD2-CB 3.83Å; Y275-E279 HydrophobicContact CD2-CG 4.05Å; Y275-E279 HydrophobicContact CE2-CB 3.65Å; Y275-E279 VanDerWaalsContact CE2-CD 3.46Å; Y275-E279 HydrophobicContact CE2-CG 4.07Å; Y275-E279 WeakPolarHBondContact CE2-OE2 3.43Å; Y275-E279 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact O-CD 3.33Å; E279-K283 WeakPolarHBondContact O-CG 3.39Å; E279-K355 IonicContact OE1-NZ 3.32Å; E279-K355 PolarHBondContact OE1-NZ 2.88Å; E279-K355 IonicContact OE2-NZ 2.72Å
280K85.1Confident89.6Confident22 Ų2280.8 Ų80.810%0.09641%0.413CS..Iπ-helixtrans-77.7-61.3-169.2-170.1-177.8177.9-175.80112.1Y275 M276 K283 E284 A359Y275-K280 PolarHBondContact O-N 2.85Å; M276-K280 HydrophobicContact CE-CD 3.69Å; M276-K280 PolarHBondContact O-N 3.24Å; M276-K280 HydrophobicContact SD-CB 4.26Å; M276-K280 HydrophobicContact SD-CD 3.65Å; K280-K283 PolarHBondContact O-N 3.46Å; K280-E284 WeakPolarHBondContact CE-OE1 3.28Å; K280-E284 WeakPolarHBondContact CG-OE1 3.46Å; K280-E284 PolarHBondContact O-N 2.86Å; K280-A359 HydrophobicContact CD-CB 4.39Å
281L88.7Confident89.7Confident78 Ų7884.6 Ų84.641%0.40842%0.42SS..Hα-helixtrans-63.1-40.9-174.3-66.6170.6000113.5M276 L277 K283 E284 L285M276-L281 HydrophobicContact CB-CD1 4.32Å; M276-L281 VanDerWaalsContact O-CB 3.27Å; M276-L281 WeakPolarHBondContact O-CB 3.3Å; M276-L281 WeakPolarHBondContact O-CG 3.28Å; M276-L281 PolarHBondContact O-N 3.29Å; L277-L281 HydrophobicContact CD2-CD1 4.25Å; L281-K283 VanDerWaalsContact C-N 3.33Å; L281-K283 PolarHBondContact O-N 2.86Å; L281-E284 PolarHBondContact O-N 3.38Å; L281-L285 WeakPolarHBondContact O-CB 3.32Å; L281-L285 PolarHBondContact O-N 2.9Å
282P91Very high89.6Confident56 Ų5682.7 Ų82.736%0.36442%0.415SS..Hα-helixtrans-63.6-36.9176.7-24.434.9000113.3L277 L286L277-P282 VanDerWaalsContact O-CD 3.24Å; L277-P282 WeakPolarHBondContact O-CD 3.32Å; L277-P282 WeakPolarHBondContact O-CG 3.29Å; P282-L286 VanDerWaalsContact O-CB 3.27Å; P282-L286 WeakPolarHBondContact O-CB 3.31Å; P282-L286 PolarHBondContact O-N 3.1Å
283K88.4Confident89.7Confident100 Ų10085 Ų8544%0.43542%0.424SS..Hα-helixtrans-68.8-44.1177.2-71.4176.3-169.9159.90111E279 K280 L281 L286 N287E279-K283 WeakPolarHBondContact O-CD 3.33Å; E279-K283 WeakPolarHBondContact O-CG 3.39Å; K280-K283 PolarHBondContact O-N 3.46Å; L281-K283 VanDerWaalsContact C-N 3.33Å; L281-K283 PolarHBondContact O-N 2.86Å; K283-L286 PolarHBondContact O-N 2.78Å; K283-N287 WeakPolarHBondContact O-CB 3.39Å; K283-N287 PolarHBondContact O-N 2.96Å; K283-N287 PolarHBondContact O-ND2 2.85Å; K283-N287 PolarHBondContact O-OD1 3.21Å
284E88.4Confident89.7Confident83 Ų8385.8 Ų85.839%0.38843%0.428SS..Hα-helixtrans-62.4-43.4174.8-71.4173.1179.800111.6K280 L281 N287 I288K280-E284 WeakPolarHBondContact CE-OE1 3.28Å; K280-E284 WeakPolarHBondContact CG-OE1 3.46Å; K280-E284 PolarHBondContact O-N 2.86Å; L281-E284 PolarHBondContact O-N 3.38Å; E284-N287 PolarHBondContact O-N 2.73Å; E284-I288 VanDerWaalsContact O-CG1 3.31Å; E284-I288 WeakPolarHBondContact O-CG1 3.31Å; E284-I288 PolarHBondContact O-N 2.7Å
285L89.8Confident89.4Confident91 Ų9182.7 Ų82.748%0.47642%0.418SS..Hα-helixtrans-65.4-41.3177.8-176155.1000112L281 I288 K289L281-L285 WeakPolarHBondContact O-CB 3.32Å; L281-L285 PolarHBondContact O-N 2.9Å; L285-I288 PolarHBondContact O-N 3.48Å; L285-K289 HydrophobicContact CD2-CD 3.62Å; L285-K289 HydrophobicContact CD2-CG 4.1Å; L285-K289 WeakPolarHBondContact O-CB 3.46Å; L285-K289 WeakPolarHBondContact O-CG 3.5Å; L285-K289 PolarHBondContact O-N 3.4Å
286L92.5Very high89.3Confident104 Ų10484.6 Ų84.655%0.54543%0.433SS..Hα-helixtrans-65.3-41.4174.2-174.8135.8000111.4P282 K283 I288 K289 T290P282-L286 VanDerWaalsContact O-CB 3.27Å; P282-L286 WeakPolarHBondContact O-CB 3.31Å; P282-L286 PolarHBondContact O-N 3.1Å; K283-L286 PolarHBondContact O-N 2.78Å; L286-I288 VanDerWaalsContact C-N 3.35Å; L286-I288 PolarHBondContact O-N 2.93Å; L286-K289 PolarHBondContact O-N 3.44Å; L286-T290 HydrophobicContact CD2-CG2 4.21Å; L286-T290 HydrophobicContact CG-CG2 4.39Å; L286-T290 WeakPolarHBondContact O-CB 2.99Å; L286-T290 VanDerWaalsContact O-CG2 3.26Å; L286-T290 WeakPolarHBondContact O-CG2 3.49Å; L286-T290 PolarHBondContact O-N 3.38Å; L286-T290 PolarHBondContact O-OG1 3.34Å
287N91.6Very high89.2Confident101 Ų10189.4 Ų89.454%0.5445%0.453SS..Hα-helixtrans-61-42.2173.9-70-10.9000111.8K283 E284 T290 Y291K283-N287 WeakPolarHBondContact O-CB 3.39Å; K283-N287 PolarHBondContact O-N 2.96Å; K283-N287 PolarHBondContact O-ND2 2.85Å; K283-N287 PolarHBondContact O-OD1 3.21Å; E284-N287 PolarHBondContact O-N 2.73Å; N287-T290 WeakPolarHBondContact CA-OG1 3.33Å; N287-T290 PolarHBondContact O-OG1 3.49Å; N287-Y291 VanDerWaalsContact O-CB 3.27Å; N287-Y291 WeakPolarHBondContact O-CB 3.49Å; N287-Y291 PolarHBondContact O-N 2.77Å
288I92.4Very high88.7Confident104 Ų10488.2 Ų88.253%0.53345%0.451SS..Hα-helixtrans-68.6-42.5176.5-67.4166.4000111.1E284 L285 L286 Y291 I292E284-I288 VanDerWaalsContact O-CG1 3.31Å; E284-I288 WeakPolarHBondContact O-CG1 3.31Å; E284-I288 PolarHBondContact O-N 2.7Å; L285-I288 PolarHBondContact O-N 3.48Å; L286-I288 VanDerWaalsContact C-N 3.35Å; L286-I288 PolarHBondContact O-N 2.93Å; I288-Y291 WeakPolarHBondContact O-CB 3.31Å; I288-Y291 PolarHBondContact O-N 2.92Å; I288-I292 HydrophobicContact CG2-CD1 3.81Å; I288-I292 HydrophobicContact CG2-CG1 4.4Å; I288-I292 VanDerWaalsContact O-CG1 3.29Å; I288-I292 WeakPolarHBondContact O-CG1 3.26Å; I288-I292 PolarHBondContact O-N 3.21Å
289K92.6Very high88.1Confident121 Ų12190.1 Ų90.153%0.52646%0.459SS..Hα-helixtrans-62.3-48.7177.2-80.5-174.6177174.70112.1L285 L286 Y291 I292 E293L285-K289 HydrophobicContact CD2-CD 3.62Å; L285-K289 HydrophobicContact CD2-CG 4.1Å; L285-K289 WeakPolarHBondContact O-CB 3.46Å; L285-K289 WeakPolarHBondContact O-CG 3.5Å; L285-K289 PolarHBondContact O-N 3.4Å; L286-K289 PolarHBondContact O-N 3.44Å; K289-Y291 VanDerWaalsContact C-N 3.29Å; K289-Y291 PolarHBondContact O-N 3.39Å; K289-I292 PolarHBondContact O-N 3.2Å; K289-I292 VanDerWaalsContact O-N 3.17Å; K289-E293 WeakPolarHBondContact O-CB 3.46Å; K289-E293 WeakPolarHBondContact O-CG 3.24Å; K289-E293 PolarHBondContact O-N 3.03Å
290T93.2Very high87.8Confident54 Ų5493.4 Ų93.433%0.33148%0.478SS..Hα-helixtrans-61.3-39176.352.70000111.2L286 N287 E293 N294L286-T290 HydrophobicContact CD2-CG2 4.21Å; L286-T290 HydrophobicContact CG-CG2 4.39Å; L286-T290 WeakPolarHBondContact O-CB 2.99Å; L286-T290 VanDerWaalsContact O-CG2 3.26Å; L286-T290 WeakPolarHBondContact O-CG2 3.49Å; L286-T290 PolarHBondContact O-N 3.38Å; L286-T290 PolarHBondContact O-OG1 3.34Å; N287-T290 WeakPolarHBondContact CA-OG1 3.33Å; N287-T290 PolarHBondContact O-OG1 3.49Å; T290-E293 PolarHBondContact O-N 2.81Å; T290-N294 VanDerWaalsContact O-CB 3.31Å; T290-N294 WeakPolarHBondContact O-CB 3.44Å; T290-N294 PolarHBondContact O-N 3.49Å; T290-N294 PolarHBondContact O-ND2 2.93Å; T290-N294 VanDerWaalsContact O-ND2 3.17Å
291Y92.1Very high87.2Confident160 Ų16097.3 Ų97.363%0.62750%0.497SS*.Hα-helixtrans-60.7-47.6171.8-179.7-100.8000112.3N287 I288 K289 N294 V295N287-Y291 VanDerWaalsContact O-CB 3.27Å; N287-Y291 WeakPolarHBondContact O-CB 3.49Å; N287-Y291 PolarHBondContact O-N 2.77Å; I288-Y291 WeakPolarHBondContact O-CB 3.31Å; I288-Y291 PolarHBondContact O-N 2.92Å; K289-Y291 VanDerWaalsContact C-N 3.29Å; K289-Y291 PolarHBondContact O-N 3.39Å; Y291-N294 PolarHBondContact O-N 3.43Å; Y291-V295 HydrophobicContact CD1-CG2 4.28Å; Y291-V295 HydrophobicContact CD2-CG2 4.49Å; Y291-V295 HydrophobicContact CE1-CG2 3.89Å; Y291-V295 HydrophobicContact CE2-CG2 4.12Å; Y291-V295 WeakPolarHBondContact O-CG2 3.27Å; Y291-V295 PolarHBondContact O-N 3.44Å
292I89Confident86.1Confident93 Ų9399.3 Ų99.348%0.47751%0.514SS..Hα-helixtrans-62.5-43.9177.2-69.5167.4000111.3I288 K289 N294 V295 T296I288-I292 HydrophobicContact CG2-CD1 3.81Å; I288-I292 HydrophobicContact CG2-CG1 4.4Å; I288-I292 VanDerWaalsContact O-CG1 3.29Å; I288-I292 WeakPolarHBondContact O-CG1 3.26Å; I288-I292 PolarHBondContact O-N 3.21Å; K289-I292 PolarHBondContact O-N 3.2Å; K289-I292 VanDerWaalsContact O-N 3.17Å; I292-N294 VanDerWaalsContact C-N 3.33Å; I292-N294 PolarHBondContact O-N 2.97Å; I292-V295 PolarHBondContact O-N 3.45Å; I292-T296 VanDerWaalsContact O-CB 3.3Å; I292-T296 WeakPolarHBondContact O-CB 3.47Å; I292-T296 PolarHBondContact O-N 2.85Å; I292-T296 PolarHBondContact O-OG1 3.44Å
293E90.5Very high84.6Confident104 Ų104101.2 Ų101.249%0.48654%0.535SS..Hα-helixtrans-60.7-43.2176-75.5174.8-166.700111.3K289 T290 T296 K297K289-E293 WeakPolarHBondContact O-CB 3.46Å; K289-E293 WeakPolarHBondContact O-CG 3.24Å; K289-E293 PolarHBondContact O-N 3.03Å; T290-E293 PolarHBondContact O-N 2.81Å; E293-T296 PolarHBondContact O-N 2.85Å; E293-K297 WeakPolarHBondContact O-CB 3.28Å; E293-K297 VanDerWaalsContact O-CG 3.28Å; E293-K297 WeakPolarHBondContact O-CG 3.41Å; E293-K297 PolarHBondContact O-N 3.38Å
294N87.1Confident83.3Confident89 Ų8999 Ų9948%0.47653%0.527SS..Hα-helixtrans-63.9-47.1176.4-70.5-20.4000111.3T290 Y291 I292 T296 K297 V298T290-N294 VanDerWaalsContact O-CB 3.31Å; T290-N294 WeakPolarHBondContact O-CB 3.44Å; T290-N294 PolarHBondContact O-N 3.49Å; T290-N294 PolarHBondContact O-ND2 2.93Å; T290-N294 VanDerWaalsContact O-ND2 3.17Å; Y291-N294 PolarHBondContact O-N 3.43Å; I292-N294 VanDerWaalsContact C-N 3.33Å; I292-N294 PolarHBondContact O-N 2.97Å; N294-T296 VanDerWaalsContact C-N 3.32Å; N294-T296 PolarHBondContact O-N 2.9Å; N294-K297 PolarHBondContact O-N 3.48Å; N294-V298 VanDerWaalsContact O-CG2 3.28Å; N294-V298 WeakPolarHBondContact O-CG2 3.36Å; N294-V298 PolarHBondContact O-N 3.32Å
295V86.2Confident82.7Confident63 Ų63100.6 Ų100.638%0.38254%0.538SS..Hα-helixtrans-62.2-40.4176.1173.60000111Y291 I292 V298 V299Y291-V295 HydrophobicContact CD1-CG2 4.28Å; Y291-V295 HydrophobicContact CD2-CG2 4.49Å; Y291-V295 HydrophobicContact CE1-CG2 3.89Å; Y291-V295 HydrophobicContact CE2-CG2 4.12Å; Y291-V295 WeakPolarHBondContact O-CG2 3.27Å; Y291-V295 PolarHBondContact O-N 3.44Å; I292-V295 PolarHBondContact O-N 3.45Å; V295-V298 PolarHBondContact O-N 2.65Å; V295-V299 HydrophobicContact CG1-CG2 4.36Å; V295-V299 VanDerWaalsContact O-CG2 3.29Å; V295-V299 WeakPolarHBondContact O-CG2 3.46Å; V295-V299 PolarHBondContact O-N 3.42Å
296T86.3Confident82.3Confident70 Ų70102.1 Ų102.143%0.42954%0.542SS..Hα-helixtrans-64.7-42.1177.7-54.90000111.2I292 E293 N294 V298 V299 L300I292-T296 VanDerWaalsContact O-CB 3.3Å; I292-T296 WeakPolarHBondContact O-CB 3.47Å; I292-T296 PolarHBondContact O-N 2.85Å; I292-T296 PolarHBondContact O-OG1 3.44Å; E293-T296 PolarHBondContact O-N 2.85Å; N294-T296 VanDerWaalsContact C-N 3.32Å; N294-T296 PolarHBondContact O-N 2.9Å; T296-V298 VanDerWaalsContact C-N 3.34Å; T296-V298 PolarHBondContact O-N 2.84Å; T296-V299 PolarHBondContact O-N 3.43Å; T296-L300 HydrophobicContact CG2-CD1 4.21Å; T296-L300 WeakPolarHBondContact O-CG 3.49Å; T296-L300 PolarHBondContact O-N 2.89Å
297K83.9Confident81.8Confident122 Ų122100.5 Ų100.553%0.5354%0.54SS..Hα-helixtrans-60.9-42.9173.3-74.6171.4-175.7172.40111.6E293 N294 L300 Q301E293-K297 WeakPolarHBondContact O-CB 3.28Å; E293-K297 VanDerWaalsContact O-CG 3.28Å; E293-K297 WeakPolarHBondContact O-CG 3.41Å; E293-K297 PolarHBondContact O-N 3.38Å; N294-K297 PolarHBondContact O-N 3.48Å; K297-L300 PolarHBondContact O-N 2.89Å; K297-Q301 WeakPolarHBondContact O-CG 3.33Å; K297-Q301 PolarHBondContact O-N 3.27Å; K297-Q301 VanDerWaalsContact O-N 3.16Å
298V79.8Confident81.3Confident95 Ų95100.4 Ų100.458%0.57654%0.535SS*.Hα-helixtrans-64.8-39.8177.8172.40000111.5N294 V295 T296 Q301N294-V298 VanDerWaalsContact O-CG2 3.28Å; N294-V298 WeakPolarHBondContact O-CG2 3.36Å; N294-V298 PolarHBondContact O-N 3.32Å; V295-V298 PolarHBondContact O-N 2.65Å; T296-V298 VanDerWaalsContact C-N 3.34Å; T296-V298 PolarHBondContact O-N 2.84Å; V298-Q301 PolarHBondContact O-N 2.89Å
299V77.7Confident80.8Confident115 Ų11598.4 Ų98.470%0.69753%0.525SS*.Hα-helixtrans-68.1-33.9177.6171.30000112.4V295 T296 Q301V295-V299 HydrophobicContact CG1-CG2 4.36Å; V295-V299 VanDerWaalsContact O-CG2 3.29Å; V295-V299 WeakPolarHBondContact O-CG2 3.46Å; V295-V299 PolarHBondContact O-N 3.42Å; T296-V299 PolarHBondContact O-N 3.43Å; V299-Q301 VanDerWaalsContact C-N 3.34Å
300L77.8Confident80.5Confident137 Ų13796.5 Ų96.572%0.71752%0.52SS*.Hα-helixtrans-77.3-19.4177.7-70.2173.1000113.2T296 K297T296-L300 HydrophobicContact CG2-CD1 4.21Å; T296-L300 WeakPolarHBondContact O-CG 3.49Å; T296-L300 PolarHBondContact O-N 2.89Å; K297-L300 PolarHBondContact O-N 2.89Å
301Q72Confident80.3Confident104 Ų10499 Ų9949%0.48653%0.529SS..SBendtrans-77.2130.8176.1-76.8-176.7-6.100110.3K297 V298 V299 A303K297-Q301 WeakPolarHBondContact O-CG 3.33Å; K297-Q301 PolarHBondContact O-N 3.27Å; K297-Q301 VanDerWaalsContact O-N 3.16Å; V298-Q301 PolarHBondContact O-N 2.89Å; V299-Q301 VanDerWaalsContact C-N 3.34Å; Q301-A303 PolarHBondContact O-N 3.48Å
302P64.9Low80Confident119 Ų11995.3 Ų95.377%0.77352%0.519SS*.  trans-55.8140.1171.7-19.630.2000110M304P302-M304 PolarHBondContact O-N 3.27Å
303A60Low80.1Confident97 Ų9795 Ų9580%0.80252%0.518SS*.  trans-28.9103.4-17400000113Q301 N305Q301-A303 PolarHBondContact O-N 3.48Å; A303-N305 PolarHBondContact O-N 3.21Å
304M62.7Low80.2Confident53 Ų5395.7 Ų95.726%0.26152%0.521SS..  trans-62117.7-175.8-163.3161.4147.800108.5P302 Q306 F308 L309 L312P302-M304 PolarHBondContact O-N 3.27Å; M304-Q306 PolarHBondContact O-N 2.85Å; M304-F308 HydrophobicContact CE-CD1 3.16Å; M304-F308 HydrophobicContact CE-CE1 3.4Å; M304-F308 HydrophobicContact CE-CG 4.3Å; M304-F308 HydrophobicContact CG-CB 4.37Å; M304-F308 HydrophobicContact CG-CD1 3.46Å; M304-F308 VanDerWaalsContact CG-CD1 3.46Å; M304-F308 HydrophobicContact CG-CE1 4.22Å; M304-F308 HydrophobicContact CG-CG 4.38Å; M304-F308 HydrophobicContact SD-CD1 3.72Å; M304-F308 HydrophobicContact SD-CE1 3.96Å; M304-L309 HydrophobicContact CE-CD2 3.38Å; M304-L309 HydrophobicContact CE-CG 3.94Å; M304-L309 HydrophobicContact CG-CD2 4.36Å; M304-L309 HydrophobicContact CG-CG 4.16Å; M304-L309 HydrophobicContact SD-CD2 3.93Å; M304-L309 HydrophobicContact SD-CG 4.39Å; M304-L312 HydrophobicContact CE-CD2 3.91Å
305N73.9Confident80.4Confident116 Ų11697.5 Ų97.562%0.6253%0.527SS*.  trans-58.1140179.7-75.8-11.1000109.9A303 S307 F308 L309A303-N305 PolarHBondContact O-N 3.21Å; N305-S307 PolarHBondContact O-N 2.84Å; N305-S307 VanDerWaalsContact O-N 3.08Å; N305-F308 WeakPolarHBondContact O-CB 3.31Å; N305-F308 PolarHBondContact O-N 3.47Å; N305-L309 PolarHBondContact O-N 3.39Å
306Q81.9Confident80.6Confident123 Ų12399.3 Ų99.358%0.57553%0.534SS*.Hα-helixtrans-51.4-37.1179.6-174.962.23300112.2M304 F308 L309 D310M304-Q306 PolarHBondContact O-N 2.85Å; Q306-F308 VanDerWaalsContact C-N 3.29Å; Q306-F308 PolarHBondContact O-N 3.4Å; Q306-L309 WeakPolarHBondContact O-CB 3.45Å; Q306-L309 PolarHBondContact O-N 2.88Å; Q306-D310 PolarHBondContact NE2-OD1 2.89Å; Q306-D310 VanDerWaalsContact NE2-OD1 3.08Å; Q306-D310 PolarHBondContact O-N 2.85Å
307S82.9Confident81Confident70 Ų70105.1 Ų105.149%0.4955%0.548SS..Hα-helixtrans-59.9-34.417656.50000113.9N305 Q311N305-S307 PolarHBondContact O-N 2.84Å; N305-S307 VanDerWaalsContact O-N 3.08Å; S307-Q311 VanDerWaalsContact O-CG 3.27Å; S307-Q311 WeakPolarHBondContact O-CG 3.29Å; S307-Q311 PolarHBondContact O-N 2.92Å
308F80.6Confident81.5Confident99 Ų99103.1 Ų103.143%0.43454%0.543SS..Hα-helixtrans-77.8-34177.5-173.5-107.2000111.6M304 N305 Q306 D310 Q311 L312M304-F308 HydrophobicContact CE-CD1 3.16Å; M304-F308 HydrophobicContact CE-CE1 3.4Å; M304-F308 HydrophobicContact CE-CG 4.3Å; M304-F308 HydrophobicContact CG-CB 4.37Å; M304-F308 HydrophobicContact CG-CD1 3.46Å; M304-F308 VanDerWaalsContact CG-CD1 3.46Å; M304-F308 HydrophobicContact CG-CE1 4.22Å; M304-F308 HydrophobicContact CG-CG 4.38Å; M304-F308 HydrophobicContact SD-CD1 3.72Å; M304-F308 HydrophobicContact SD-CE1 3.96Å; N305-F308 WeakPolarHBondContact O-CB 3.31Å; N305-F308 PolarHBondContact O-N 3.47Å; Q306-F308 VanDerWaalsContact C-N 3.29Å; Q306-F308 PolarHBondContact O-N 3.4Å; F308-D310 VanDerWaalsContact C-N 3.34Å; F308-Q311 PolarHBondContact O-N 3.19Å; F308-L312 WeakPolarHBondContact O-CB 3.36Å; F308-L312 PolarHBondContact O-N 3Å
309L81.6Confident82.1Confident62 Ų62101.1 Ų101.133%0.32554%0.537SS..Hα-helixtrans-63.4-41.2169.7-73.6169.3000111.5M304 N305 Q306 L312 N313M304-L309 HydrophobicContact CE-CD2 3.38Å; M304-L309 HydrophobicContact CE-CG 3.94Å; M304-L309 HydrophobicContact CG-CD2 4.36Å; M304-L309 HydrophobicContact CG-CG 4.16Å; M304-L309 HydrophobicContact SD-CD2 3.93Å; M304-L309 HydrophobicContact SD-CG 4.39Å; N305-L309 PolarHBondContact O-N 3.39Å; Q306-L309 WeakPolarHBondContact O-CB 3.45Å; Q306-L309 PolarHBondContact O-N 2.88Å; L309-L312 PolarHBondContact O-N 3.45Å; L309-N313 WeakPolarHBondContact O-CB 3.36Å; L309-N313 PolarHBondContact O-N 2.87Å; L309-N313 PolarHBondContact O-ND2 3.43Å; L309-N313 VanDerWaalsContact O-ND2 3.14Å
310D87.2Confident82.7Confident81 Ų8199.3 Ų99.343%0.43352%0.523SS..Hα-helixtrans-65.6-41.7177.1-65.3-21.1000111.3Q306 F308 N313 Q314Q306-D310 PolarHBondContact NE2-OD1 2.89Å; Q306-D310 VanDerWaalsContact NE2-OD1 3.08Å; Q306-D310 PolarHBondContact O-N 2.85Å; F308-D310 VanDerWaalsContact C-N 3.34Å; D310-N313 PolarHBondContact O-N 3.45Å; D310-Q314 WeakPolarHBondContact O-CB 3.31Å; D310-Q314 PolarHBondContact O-N 2.91Å
311Q88.7Confident83.5Confident108 Ų10895 Ų9551%0.50550%0.504SS..Hα-helixtrans-60.7-44.1172.7-76.6173.43.900112.3S307 F308 Q314 Q315S307-Q311 VanDerWaalsContact O-CG 3.27Å; S307-Q311 WeakPolarHBondContact O-CG 3.29Å; S307-Q311 PolarHBondContact O-N 2.92Å; F308-Q311 PolarHBondContact O-N 3.19Å; Q311-Q314 PolarHBondContact O-N 3.44Å; Q311-Q315 WeakPolarHBondContact O-CG 3.44Å; Q311-Q315 PolarHBondContact O-N 3.43Å
312L86Confident84.5Confident82 Ų8296 Ų9643%0.42951%0.509SS..Hα-helixtrans-66.4-39.6178.8-164.471.9000111.4M304 F308 L309 Q314 Q315 L316M304-L312 HydrophobicContact CE-CD2 3.91Å; F308-L312 WeakPolarHBondContact O-CB 3.36Å; F308-L312 PolarHBondContact O-N 3Å; L309-L312 PolarHBondContact O-N 3.45Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q315 PolarHBondContact O-N 2.89Å; L312-L316 WeakPolarHBondContact O-CB 3.26Å; L312-L316 PolarHBondContact O-N 2.97Å
313N89.6Confident85.5Confident85 Ų8594.8 Ų94.846%0.45550%0.496SS..Hα-helixtrans-64.6-37.3173.6-79.3-39.8000112.2L309 D310 L316 R317L309-N313 WeakPolarHBondContact O-CB 3.36Å; L309-N313 PolarHBondContact O-N 2.87Å; L309-N313 PolarHBondContact O-ND2 3.43Å; L309-N313 VanDerWaalsContact O-ND2 3.14Å; D310-N313 PolarHBondContact O-N 3.45Å; N313-L316 PolarHBondContact O-N 3.49Å; N313-R317 WeakPolarHBondContact O-CG 3.41Å; N313-R317 PolarHBondContact O-N 3.21Å
314Q92.5Very high86.8Confident119 Ų11994.4 Ų94.456%0.55648%0.48SS*.Hα-helixtrans-65.9-47.8174.8-172.7169.8600111D310 Q311 L312 L316 R317 D318D310-Q314 WeakPolarHBondContact O-CB 3.31Å; D310-Q314 PolarHBondContact O-N 2.91Å; Q311-Q314 PolarHBondContact O-N 3.44Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; Q314-L316 VanDerWaalsContact C-N 3.26Å; Q314-L316 PolarHBondContact O-N 3.44Å; Q314-R317 WeakPolarHBondContact O-CB 3.36Å; Q314-R317 PolarHBondContact O-N 3.46Å; Q314-R317 VanDerWaalsContact O-N 3.09Å; Q314-D318 VanDerWaalsContact O-CG 3.27Å; Q314-D318 PolarHBondContact O-N 3.5Å
315Q92.6Very high88.1Confident128 Ų12897.5 Ų97.560%0.59849%0.492SS*.Hα-helixtrans-57.4-39173.9-73-179.9-12.800112.3Q311 L312 D318 A319Q311-Q315 WeakPolarHBondContact O-CG 3.44Å; Q311-Q315 PolarHBondContact O-N 3.43Å; L312-Q315 PolarHBondContact O-N 2.89Å; Q315-D318 PolarHBondContact O-N 2.82Å; Q315-A319 VanDerWaalsContact O-CB 3.29Å; Q315-A319 WeakPolarHBondContact O-CB 3.31Å; Q315-A319 PolarHBondContact O-N 3.45Å
316L90.3Very high88.7Confident101 Ų10197 Ų9753%0.52949%0.489SS..Hα-helixtrans-68.4-37.6176.8-169145.7000112.1L312 N313 Q314 N320L312-L316 WeakPolarHBondContact O-CB 3.26Å; L312-L316 PolarHBondContact O-N 2.97Å; N313-L316 PolarHBondContact O-N 3.49Å; Q314-L316 VanDerWaalsContact C-N 3.26Å; Q314-L316 PolarHBondContact O-N 3.44Å; L316-N320 VanDerWaalsContact CD2-ND2 3.26Å; L316-N320 WeakPolarHBondContact CD2-ND2 3.38Å; L316-N320 VanDerWaalsContact O-CB 3.28Å; L316-N320 WeakPolarHBondContact O-CB 3.47Å; L316-N320 VanDerWaalsContact O-CG 3.25Å; L316-N320 PolarHBondContact O-N 3.06Å; L316-N320 PolarHBondContact O-ND2 2.86Å
317R93.7Very high88.6Confident191 Ų19194.9 Ų94.972%0.72148%0.481SS*.Hα-helixtrans-65.9-44.4172.6-75.4177.7-177.9-174.62.1111.7N313 Q314 N320 S321N313-R317 WeakPolarHBondContact O-CG 3.41Å; N313-R317 PolarHBondContact O-N 3.21Å; Q314-R317 WeakPolarHBondContact O-CB 3.36Å; Q314-R317 PolarHBondContact O-N 3.46Å; Q314-R317 VanDerWaalsContact O-N 3.09Å; R317-N320 PolarHBondContact O-N 3.25Å; R317-S321 WeakPolarHBondContact O-CB 3.29Å; R317-S321 PolarHBondContact O-N 3.29Å
318D94.2Very high88.5Confident81 Ų8197.2 Ų97.243%0.43348%0.484SS..Hα-helixtrans-62.5-49.1179-66.7-20000110.2Q314 Q315 N320 S321 E322Q314-D318 VanDerWaalsContact O-CG 3.27Å; Q314-D318 PolarHBondContact O-N 3.5Å; Q315-D318 PolarHBondContact O-N 2.82Å; D318-N320 PolarHBondContact O-N 3.31Å; D318-S321 WeakPolarHBondContact O-CB 3.19Å; D318-S321 PolarHBondContact O-N 3.43Å; D318-S321 VanDerWaalsContact O-N 3.1Å; D318-S321 PolarHBondContact O-OG 3.44Å; D318-E322 PolarHBondContact O-N 3.37Å
319A92.7Very high88.5Confident53 Ų53100.8 Ų100.844%0.43849%0.494SS..Hα-helixtrans-61.7-40.5176.200000113Q315 S321 E322 L323Q315-A319 VanDerWaalsContact O-CB 3.29Å; Q315-A319 WeakPolarHBondContact O-CB 3.31Å; Q315-A319 PolarHBondContact O-N 3.45Å; A319-S321 VanDerWaalsContact C-N 3.32Å; A319-E322 PolarHBondContact O-N 2.96Å; A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 PolarHBondContact O-N 3.45Å
320N92Very high88.2Confident76 Ų76104.6 Ų104.641%0.40651%0.505SS..Hα-helixtrans-66-35.5173.8-79.9-27.8000112L316 R317 D318 L323 N324L316-N320 VanDerWaalsContact CD2-ND2 3.26Å; L316-N320 WeakPolarHBondContact CD2-ND2 3.38Å; L316-N320 VanDerWaalsContact O-CB 3.28Å; L316-N320 WeakPolarHBondContact O-CB 3.47Å; L316-N320 VanDerWaalsContact O-CG 3.25Å; L316-N320 PolarHBondContact O-N 3.06Å; L316-N320 PolarHBondContact O-ND2 2.86Å; R317-N320 PolarHBondContact O-N 3.25Å; D318-N320 PolarHBondContact O-N 3.31Å; N320-L323 PolarHBondContact O-N 2.85Å; N320-N324 WeakPolarHBondContact O-CB 3.4Å; N320-N324 PolarHBondContact O-N 3.09Å; N320-N324 PolarHBondContact O-ND2 3.26Å
321S92.9Very high87.3Confident46 Ų46107.6 Ų107.632%0.32252%0.518SS..Hα-helixtrans-67.5-40.2175.485.70000111.6R317 D318 A319 N324 K325R317-S321 WeakPolarHBondContact O-CB 3.29Å; R317-S321 PolarHBondContact O-N 3.29Å; D318-S321 WeakPolarHBondContact O-CB 3.19Å; D318-S321 PolarHBondContact O-N 3.43Å; D318-S321 VanDerWaalsContact O-N 3.1Å; D318-S321 PolarHBondContact O-OG 3.44Å; A319-S321 VanDerWaalsContact C-N 3.32Å; S321-N324 PolarHBondContact O-N 2.94Å; S321-K325 WeakPolarHBondContact O-CB 3.27Å; S321-K325 VanDerWaalsContact O-CG 3.27Å; S321-K325 WeakPolarHBondContact O-CG 3.34Å; S321-K325 PolarHBondContact O-N 2.87Å
322E92.6Very high86.4Confident126 Ų126109.2 Ų109.259%0.58953%0.528SS*.Hα-helixtrans-65.4-43.5173.6-71.8-172.8165.500111.3D318 A319 N324 K325 L326D318-E322 PolarHBondContact O-N 3.37Å; A319-E322 PolarHBondContact O-N 2.96Å; E322-N324 PolarHBondContact O-N 2.91Å; E322-K325 PolarHBondContact O-N 3.14Å; E322-L326 WeakPolarHBondContact O-CB 3.46Å; E322-L326 VanDerWaalsContact O-CG 3.31Å; E322-L326 WeakPolarHBondContact O-CG 3.19Å; E322-L326 PolarHBondContact O-N 2.87Å
323L86.7Confident85.3Confident93 Ų93109.2 Ų109.249%0.48754%0.535SS..Hα-helixtrans-60.2-45.5175.5-177.764.3000111.2A319 N320 L326 I327A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 PolarHBondContact O-N 3.45Å; N320-L323 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 3.43Å; L323-I327 HydrophobicContact CD1-CD1 4.35Å; L323-I327 HydrophobicContact CG-CD1 3.96Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.46Å; L323-I327 PolarHBondContact O-N 3.21Å
324N87.3Confident83.7Confident90 Ų90109 Ų10948%0.48153%0.534SS..Hα-helixtrans-63.2-43.5176.6-73.6-18.9000111.6N320 S321 E322 L326 I327 E328N320-N324 WeakPolarHBondContact O-CB 3.4Å; N320-N324 PolarHBondContact O-N 3.09Å; N320-N324 PolarHBondContact O-ND2 3.26Å; S321-N324 PolarHBondContact O-N 2.94Å; E322-N324 PolarHBondContact O-N 2.91Å; N324-L326 VanDerWaalsContact C-N 3.31Å; N324-L326 PolarHBondContact O-N 3.29Å; N324-I327 PolarHBondContact O-N 3.42Å; N324-E328 WeakPolarHBondContact O-CB 3.09Å; N324-E328 WeakPolarHBondContact O-CG 3.4Å; N324-E328 PolarHBondContact O-N 2.88Å
325K89.3Confident81.9Confident118 Ų118110.2 Ų110.251%0.51354%0.54SS..Hα-helixtrans-60.5-39.1173.7-73.9170.3-175.41710112.2S321 E322 R329S321-K325 WeakPolarHBondContact O-CB 3.27Å; S321-K325 VanDerWaalsContact O-CG 3.27Å; S321-K325 WeakPolarHBondContact O-CG 3.34Å; S321-K325 PolarHBondContact O-N 2.87Å; E322-K325 PolarHBondContact O-N 3.14Å; K325-R329 WeakPolarHBondContact O-CB 3.47Å; K325-R329 VanDerWaalsContact O-CG 3.28Å; K325-R329 WeakPolarHBondContact O-CG 3.23Å; K325-R329 PolarHBondContact O-N 3.37Å
326L86.6Confident80.2Confident105 Ų105108.7 Ų108.755%0.5554%0.541SS..Hα-helixtrans-68.2-38.2175.5-73.4173.4000111.8E322 L323 N324 R330E322-L326 WeakPolarHBondContact O-CB 3.46Å; E322-L326 VanDerWaalsContact O-CG 3.31Å; E322-L326 WeakPolarHBondContact O-CG 3.19Å; E322-L326 PolarHBondContact O-N 2.87Å; L323-L326 PolarHBondContact O-N 3.43Å; N324-L326 VanDerWaalsContact C-N 3.31Å; N324-L326 PolarHBondContact O-N 3.29Å; L326-R330 VanDerWaalsContact O-CB 3.22Å; L326-R330 WeakPolarHBondContact O-CB 3.19Å; L326-R330 PolarHBondContact O-N 3.24Å
327I80.6Confident78.4Confident79 Ų79113 Ų11341%0.40556%0.555SS.*Hα-helixtrans-64.7-46.3173.9-69.1164.9000110.1L323 N324 R330 M331L323-I327 HydrophobicContact CD1-CD1 4.35Å; L323-I327 HydrophobicContact CG-CD1 3.96Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.46Å; L323-I327 PolarHBondContact O-N 3.21Å; N324-I327 PolarHBondContact O-N 3.42Å; I327-R330 CarbonylContact O-C 3.57Å; I327-R330 WeakPolarHBondContact O-CB 3.2Å; I327-R330 PolarHBondContact O-N 2.92Å; I327-M331 HydrophobicContact CG2-CG 4.48Å; I327-M331 HydrophobicContact CG2-SD 4.27Å; I327-M331 WeakPolarHBondContact O-CG 3.38Å; I327-M331 PolarHBondContact O-N 3.23Å
328E80.4Confident76.8Confident118 Ų118110.9 Ų110.955%0.55156%0.559SS**Hα-helixtrans-60.9-48.9176.1-76174.3-174.900111.6N324 R330 M331 I332N324-E328 WeakPolarHBondContact O-CB 3.09Å; N324-E328 WeakPolarHBondContact O-CG 3.4Å; N324-E328 PolarHBondContact O-N 2.88Å; E328-R330 PolarHBondContact O-N 2.71Å; E328-M331 PolarHBondContact O-N 2.95Å; E328-I332 VanDerWaalsContact O-CG1 3.26Å; E328-I332 WeakPolarHBondContact O-CG1 3.37Å; E328-I332 PolarHBondContact O-N 2.93Å
329R81.9Confident75.3Confident174 Ų174109.6 Ų109.666%0.65755%0.552SS**Hα-helixtrans-55.9-42.2174.5-78.5178.8-175.81771.9111.6K325 I332 S333K325-R329 WeakPolarHBondContact O-CB 3.47Å; K325-R329 VanDerWaalsContact O-CG 3.28Å; K325-R329 WeakPolarHBondContact O-CG 3.23Å; K325-R329 PolarHBondContact O-N 3.37Å; R329-I332 PolarHBondContact O-N 3.43Å; R329-S333 VanDerWaalsContact O-CB 3.28Å; R329-S333 WeakPolarHBondContact O-CB 3.37Å; R329-S333 PolarHBondContact O-N 3.1Å; R329-S333 PolarHBondContact O-OG 2.84Å; R329-S333 VanDerWaalsContact O-OG 3.1Å
330R73.9Confident74.4Confident143 Ų143114.9 Ų114.954%0.5457%0.565SS.*Hα-helixtrans-68-33.7177.2-174.3177.6175.2-157.6-8.2112.7L326 I327 E328 S333 N334 R345L326-R330 VanDerWaalsContact O-CB 3.22Å; L326-R330 WeakPolarHBondContact O-CB 3.19Å; L326-R330 PolarHBondContact O-N 3.24Å; I327-R330 CarbonylContact O-C 3.57Å; I327-R330 WeakPolarHBondContact O-CB 3.2Å; I327-R330 PolarHBondContact O-N 2.92Å; E328-R330 PolarHBondContact O-N 2.71Å; R330-S333 WeakPolarHBondContact CA-OG 3.29Å; R330-S333 PolarHBondContact O-OG 3.23Å; R330-N334 PolarHBondContact O-N 3.44Å; R330-N334 PolarHBondContact O-OD1 2.84Å; R330-R345 VanDerWaalsContact NH2-NH1 3.16Å
331M69.4Low73.7Confident143 Ų143116.4 Ų116.470%0.70457%0.572SS**Hα-helixtrans-72.8-34.7174.6-71.7-173.178.500111.8I327 E328I327-M331 HydrophobicContact CG2-CG 4.48Å; I327-M331 HydrophobicContact CG2-SD 4.27Å; I327-M331 WeakPolarHBondContact O-CG 3.38Å; I327-M331 PolarHBondContact O-N 3.23Å; E328-M331 PolarHBondContact O-N 2.95Å
332I68.4Low72.7Confident142 Ų142116 Ų11673%0.72857%0.569SS**Hα-helixtrans-75.6-36.7177.2-63.5162.6000111.5E328 R329 N334E328-I332 VanDerWaalsContact O-CG1 3.26Å; E328-I332 WeakPolarHBondContact O-CG1 3.37Å; E328-I332 PolarHBondContact O-N 2.93Å; R329-I332 PolarHBondContact O-N 3.43Å; I332-N334 VanDerWaalsContact C-N 3.31Å; I332-N334 PolarHBondContact O-N 3.4Å
333S64.3Low72.1Confident82 Ų82114.7 Ų114.757%0.57357%0.565SS**SBendtrans-78.8-11.6-179.169.30000114.2R329 R330 E335R329-S333 VanDerWaalsContact O-CB 3.28Å; R329-S333 WeakPolarHBondContact O-CB 3.37Å; R329-S333 PolarHBondContact O-N 3.1Å; R329-S333 PolarHBondContact O-OG 2.84Å; R329-S333 VanDerWaalsContact O-OG 3.1Å; R330-S333 WeakPolarHBondContact CA-OG 3.29Å; R330-S333 PolarHBondContact O-OG 3.23Å; S333-E335 VanDerWaalsContact C-N 3.34Å; S333-E335 PolarHBondContact O-N 3.35Å
334N55.1Low72.1Confident82 Ų82116.7 Ų116.744%0.43957%0.57SS.*  trans-78.488.4176.9-83.5-2.3000108.8R330 I332R330-N334 PolarHBondContact O-N 3.44Å; R330-N334 PolarHBondContact O-OD1 2.84Å; I332-N334 VanDerWaalsContact C-N 3.31Å; I332-N334 PolarHBondContact O-N 3.4Å
335E54.2Low71.9Confident144 Ų144119.5 Ų119.567%0.67357%0.574SS**  trans-62.6136.1166.7-73.5-149.516300110.4S333 F337 D338S333-E335 VanDerWaalsContact C-N 3.34Å; S333-E335 PolarHBondContact O-N 3.35Å; E335-F337 PolarHBondContact O-N 2.97Å; E335-D338 PolarHBondContact O-N 3.42Å
336P57.7Low71.8Confident95 Ų95119.5 Ų119.562%0.61758%0.576SS**THydrogen-bonded Turntrans-64.9-2.7-172.523.7-32.7000114.9
337F52.7Low71.9Confident191 Ų191120.1 Ų120.184%0.83858%0.576SS**THydrogen-bonded Turntrans-90-18.1-179.3-80.2-83.3000114.6E335E335-F337 PolarHBondContact O-N 2.97Å
338D59.3Low72.3Confident148 Ų148119.2 Ų119.279%0.79158%0.58SS**SBendtrans-97.98.3175.1-111-10.1000113.4E335 K340E335-D338 PolarHBondContact O-N 3.42Å; D338-K340 PolarHBondContact O-N 2.88Å
339D63.4Low72.7Confident54 Ų54115.7 Ų115.729%0.28957%0.572SS.*THydrogen-bonded Turntrans-67.91.2-169.1-104.2-8.3000115.8I341 S342 L343D339-I341 VanDerWaalsContact C-N 3.3Å; D339-I341 PolarHBondContact O-N 3.49Å; D339-S342 VanDerWaalsContact CA-OG 3.31Å; D339-S342 WeakPolarHBondContact CA-OG 3.35Å; D339-S342 WeakPolarHBondContact CB-OG 3.35Å; D339-S342 PolarHBondContact O-N 2.83Å; D339-S342 PolarHBondContact O-OG 3.19Å; D339-S342 WeakPolarHBondContact OD1-CB 3.38Å; D339-S342 PolarHBondContact OD1-OG 3.4Å; D339-L343 WeakPolarHBondContact O-CB 3.27Å; D339-L343 WeakPolarHBondContact O-CD1 3.3Å; D339-L343 WeakPolarHBondContact O-CG 3.37Å; D339-L343 PolarHBondContact O-N 2.94Å
340K72.8Confident73.1Confident164 Ų164111 Ų11171%0.71356%0.559SS**Hα-helixtrans-59.4-44.4175.9-73-176.6-178.4174.90110.9D338 F344D338-K340 PolarHBondContact O-N 2.88Å; K340-F344 HydrophobicContact CB-CE2 4.48Å; K340-F344 WeakPolarHBondContact O-CD2 3.47Å; K340-F344 PolarHBondContact O-N 3.39Å; K340-F344 VanDerWaalsContact O-N 3.09Å
341I77.4Confident73.8Confident108 Ų108108.3 Ų108.355%0.55456%0.558SS**Hα-helixtrans-71.2-36.5179.4-62.3174.4000111D339 F344 R345D339-I341 VanDerWaalsContact C-N 3.3Å; D339-I341 PolarHBondContact O-N 3.49Å; I341-F344 PolarHBondContact O-N 2.93Å; I341-R345 HydrophobicContact CG2-CG 4.29Å; I341-R345 WeakPolarHBondContact O-CB 3.37Å; I341-R345 VanDerWaalsContact O-CG 3.27Å; I341-R345 WeakPolarHBondContact O-CG 3.41Å; I341-R345 PolarHBondContact O-N 2.97Å
342S73.8Confident74.7Confident36 Ų36108.6 Ų108.625%0.25255%0.551SS.*Hα-helixtrans-66.2-41.1178.375.60000110.9D339 R345 Q346D339-S342 VanDerWaalsContact CA-OG 3.31Å; D339-S342 WeakPolarHBondContact CA-OG 3.35Å; D339-S342 WeakPolarHBondContact CB-OG 3.35Å; D339-S342 PolarHBondContact O-N 2.83Å; D339-S342 PolarHBondContact O-OG 3.19Å; D339-S342 WeakPolarHBondContact OD1-CB 3.38Å; D339-S342 PolarHBondContact OD1-OG 3.4Å; S342-R345 PolarHBondContact O-N 2.82Å; S342-Q346 WeakPolarHBondContact O-CB 3.37Å; S342-Q346 PolarHBondContact O-N 2.82Å
343L79.6Confident75.7Confident99 Ų99110.8 Ų110.852%0.51855%0.551SS.*Hα-helixtrans-59.3-47.6172.7-73.6163.9000111.2D339 R345 Q346 Q347D339-L343 WeakPolarHBondContact O-CB 3.27Å; D339-L343 WeakPolarHBondContact O-CD1 3.3Å; D339-L343 WeakPolarHBondContact O-CG 3.37Å; D339-L343 PolarHBondContact O-N 2.94Å; L343-R345 PolarHBondContact O-N 3.49Å; L343-Q346 PolarHBondContact O-N 2.98Å; L343-Q347 VanDerWaalsContact O-CB 3.29Å; L343-Q347 WeakPolarHBondContact O-CB 3.49Å; L343-Q347 PolarHBondContact O-N 3.03Å
344F85.4Confident77Confident135 Ų135113.9 Ų113.959%0.59255%0.554SS**Hα-helixtrans-64.7-37175.7-71.1-60.5000112.6K340 I341 Q347 A348K340-F344 HydrophobicContact CB-CE2 4.48Å; K340-F344 WeakPolarHBondContact O-CD2 3.47Å; K340-F344 PolarHBondContact O-N 3.39Å; K340-F344 VanDerWaalsContact O-N 3.09Å; I341-F344 PolarHBondContact O-N 2.93Å; F344-Q347 PolarHBondContact O-N 3.3Å; F344-A348 WeakPolarHBondContact O-CB 3.34Å; F344-A348 PolarHBondContact O-N 3.44Å
345R84.7Confident78.5Confident150 Ų150114.1 Ų114.157%0.56655%0.551SS**Hα-helixtrans-67.4-40.5174.6-74.2177.7-172-1599.1111.7R330 I341 S342 L343 A348 A349R330-R345 VanDerWaalsContact NH2-NH1 3.16Å; I341-R345 HydrophobicContact CG2-CG 4.29Å; I341-R345 WeakPolarHBondContact O-CB 3.37Å; I341-R345 VanDerWaalsContact O-CG 3.27Å; I341-R345 WeakPolarHBondContact O-CG 3.41Å; I341-R345 PolarHBondContact O-N 2.97Å; S342-R345 PolarHBondContact O-N 2.82Å; L343-R345 PolarHBondContact O-N 3.49Å; R345-A348 PolarHBondContact O-N 2.76Å; R345-A349 VanDerWaalsContact O-CB 3.27Å; R345-A349 WeakPolarHBondContact O-CB 3.5Å; R345-A349 PolarHBondContact O-N 3.5Å
346Q86.4Confident80.1Confident117 Ų117110 Ų11055%0.54753%0.533SS..Hα-helixtrans-65.2-45.5175.3-172.3-177.51300110.2S342 L343 A349 I350S342-Q346 WeakPolarHBondContact O-CB 3.37Å; S342-Q346 PolarHBondContact O-N 2.82Å; L343-Q346 PolarHBondContact O-N 2.98Å; Q346-A349 PolarHBondContact O-N 3.39Å; Q346-I350 HydrophobicContact CG-CD1 4.03Å; Q346-I350 WeakPolarHBondContact O-CB 3.33Å; Q346-I350 VanDerWaalsContact O-CG1 3.24Å; Q346-I350 WeakPolarHBondContact O-CG1 3.34Å; Q346-I350 PolarHBondContact O-N 3.23Å
347Q89.1Confident81.6Confident118 Ų118107.6 Ų107.655%0.55152%0.522SS*.Hα-helixtrans-61.3-45.2175.1-169.1174.815.800111.2L343 F344 A349 I350 V351L343-Q347 VanDerWaalsContact O-CB 3.29Å; L343-Q347 WeakPolarHBondContact O-CB 3.49Å; L343-Q347 PolarHBondContact O-N 3.03Å; F344-Q347 PolarHBondContact O-N 3.3Å; Q347-A349 VanDerWaalsContact C-N 3.34Å; Q347-A349 PolarHBondContact O-N 2.84Å; Q347-I350 PolarHBondContact O-N 3.38Å; Q347-V351 WeakPolarHBondContact O-CB 3.24Å; Q347-V351 VanDerWaalsContact O-CG2 3.26Å; Q347-V351 WeakPolarHBondContact O-CG2 2.91Å; Q347-V351 PolarHBondContact O-N 2.89Å
348A88.3Confident83.4Confident60 Ų60101 Ų10150%0.49650%0.503SS..Hα-helixtrans-62.8-38.417500000112.3F344 R345 V351 R352F344-A348 WeakPolarHBondContact O-CB 3.34Å; F344-A348 PolarHBondContact O-N 3.44Å; R345-A348 PolarHBondContact O-N 2.76Å; A348-V351 PolarHBondContact O-N 2.94Å; A348-R352 VanDerWaalsContact O-CB 3.25Å; A348-R352 WeakPolarHBondContact O-CB 3.28Å; A348-R352 PolarHBondContact O-N 2.83Å
349A88.7Confident84.8Confident45 Ų4594.4 Ų94.437%0.37247%0.468SS..Hα-helixtrans-67.2-41174.900000111.9R345 Q346 Q347 R352 R353R345-A349 VanDerWaalsContact O-CB 3.27Å; R345-A349 WeakPolarHBondContact O-CB 3.5Å; R345-A349 PolarHBondContact O-N 3.5Å; Q346-A349 PolarHBondContact O-N 3.39Å; Q347-A349 VanDerWaalsContact C-N 3.34Å; Q347-A349 PolarHBondContact O-N 2.84Å; A349-R352 PolarHBondContact O-N 2.87Å; A349-R353 WeakPolarHBondContact O-CB 3.27Å; A349-R353 VanDerWaalsContact O-CG 3.32Å; A349-R353 WeakPolarHBondContact O-CG 3.4Å; A349-R353 PolarHBondContact O-N 3.35Å
350I89.9Confident85.9Confident76 Ų7697 Ų9739%0.3948%0.478SS..Hα-helixtrans-63.7-46.4174.3-68.3163.7000110.1Q346 Q347 R352 R353 K354Q346-I350 HydrophobicContact CG-CD1 4.03Å; Q346-I350 WeakPolarHBondContact O-CB 3.33Å; Q346-I350 VanDerWaalsContact O-CG1 3.24Å; Q346-I350 WeakPolarHBondContact O-CG1 3.34Å; Q346-I350 PolarHBondContact O-N 3.23Å; Q347-I350 PolarHBondContact O-N 3.38Å; I350-R352 PolarHBondContact O-N 3.43Å; I350-R353 PolarHBondContact O-N 3.02Å; I350-K354 HydrophobicContact CG2-CD 4.23Å; I350-K354 HydrophobicContact CG2-CG 4.44Å; I350-K354 WeakPolarHBondContact O-CB 3.16Å; I350-K354 WeakPolarHBondContact O-CG 3.36Å; I350-K354 PolarHBondContact O-N 2.96Å
351V90.4Very high86.8Confident86 Ų8692.9 Ų92.952%0.52147%0.467SS..Hα-helixtrans-62-44177171.30000110.6Q347 A348 K354 K355Q347-V351 WeakPolarHBondContact O-CB 3.24Å; Q347-V351 VanDerWaalsContact O-CG2 3.26Å; Q347-V351 WeakPolarHBondContact O-CG2 2.91Å; Q347-V351 PolarHBondContact O-N 2.89Å; A348-V351 PolarHBondContact O-N 2.94Å; V351-K354 PolarHBondContact O-N 2.84Å; V351-K355 VanDerWaalsContact O-CB 3.31Å; V351-K355 WeakPolarHBondContact O-CB 3.4Å; V351-K355 PolarHBondContact O-N 2.98Å
352R87.2Confident87.2Confident148 Ų14889.8 Ų89.856%0.55845%0.452SS*.Hα-helixtrans-62-44175.4-178.1177.8173.2-178.4-3.6111.8A348 A349 I350 K355 L356A348-R352 VanDerWaalsContact O-CB 3.25Å; A348-R352 WeakPolarHBondContact O-CB 3.28Å; A348-R352 PolarHBondContact O-N 2.83Å; A349-R352 PolarHBondContact O-N 2.87Å; I350-R352 PolarHBondContact O-N 3.43Å; R352-K355 PolarHBondContact O-N 2.83Å; R352-L356 HydrophobicContact CG-CD1 4.15Å; R352-L356 WeakPolarHBondContact O-CB 3.43Å; R352-L356 WeakPolarHBondContact O-CG 3.43Å; R352-L356 PolarHBondContact O-N 3.31Å
353R89.3Confident87.8Confident189 Ų18989.8 Ų89.871%0.71345%0.45SS*.Hα-helixtrans-62.9-43.6175.3-77.2178.3-178.2171.21111.5A349 I350 L356 A357A349-R353 WeakPolarHBondContact O-CB 3.27Å; A349-R353 VanDerWaalsContact O-CG 3.32Å; A349-R353 WeakPolarHBondContact O-CG 3.4Å; A349-R353 PolarHBondContact O-N 3.35Å; I350-R353 PolarHBondContact O-N 3.02Å; R353-L356 PolarHBondContact O-N 2.98Å; R353-A357 VanDerWaalsContact O-CB 3.27Å; R353-A357 WeakPolarHBondContact O-CB 3.4Å; R353-A357 PolarHBondContact O-N 2.91Å
354K91.2Very high88.3Confident147 Ų14788.3 Ų88.364%0.63945%0.445SS*.Hα-helixtrans-62.5-41.7174-74.8-175.7176.4-173.40111.8I350 V351 A358I350-K354 HydrophobicContact CG2-CD 4.23Å; I350-K354 HydrophobicContact CG2-CG 4.44Å; I350-K354 WeakPolarHBondContact O-CB 3.16Å; I350-K354 WeakPolarHBondContact O-CG 3.36Å; I350-K354 PolarHBondContact O-N 2.96Å; V351-K354 PolarHBondContact O-N 2.84Å; K354-A358 WeakPolarHBondContact O-CB 3.41Å; K354-A358 PolarHBondContact O-N 3.47Å
355K88.1Confident88.5Confident86 Ų8686.8 Ų86.837%0.37444%0.442SS..Hα-helixtrans-64.2-41.9176.5-165.2-174.2-170.1-171.70111.6Y275 E279 V351 R352 A359Y275-K355 HydrophobicContact CD2-CD 4.19Å; Y275-K355 HydrophobicContact CE1-CG 4.23Å; Y275-K355 HydrophobicContact CE2-CD 3.53Å; Y275-K355 HydrophobicContact CE2-CG 4.13Å; E279-K355 IonicContact OE1-NZ 3.32Å; E279-K355 PolarHBondContact OE1-NZ 2.88Å; E279-K355 IonicContact OE2-NZ 2.72Å; V351-K355 VanDerWaalsContact O-CB 3.31Å; V351-K355 WeakPolarHBondContact O-CB 3.4Å; V351-K355 PolarHBondContact O-N 2.98Å; R352-K355 PolarHBondContact O-N 2.83Å; K355-A359 WeakPolarHBondContact O-CB 3.28Å; K355-A359 PolarHBondContact O-N 3.33Å
356L86.6Confident88.5Confident57 Ų5784 Ų8430%0.29843%0.432SS..Hα-helixtrans-66.9-49.1174.9-74.1171.4000111.7R352 R353 A358 A359 E360R352-L356 HydrophobicContact CG-CD1 4.15Å; R352-L356 WeakPolarHBondContact O-CB 3.43Å; R352-L356 WeakPolarHBondContact O-CG 3.43Å; R352-L356 PolarHBondContact O-N 3.31Å; R353-L356 PolarHBondContact O-N 2.98Å; L356-A358 VanDerWaalsContact C-N 3.33Å; L356-A358 PolarHBondContact O-N 2.84Å; L356-A359 CarbonylContact O-C 3.51Å; L356-A359 WeakPolarHBondContact O-CB 3.46Å; L356-A359 PolarHBondContact O-N 3.44Å; L356-A359 VanDerWaalsContact O-N 3.1Å; L356-E360 WeakPolarHBondContact O-CG 3.39Å; L356-E360 PolarHBondContact O-N 3.43Å
357A90.5Very high88.5Confident46 Ų4683.5 Ų83.538%0.3843%0.433SS..Hα-helixtrans-59.4-43.6176.500000111.5R353 A359 E360 T361R353-A357 VanDerWaalsContact O-CB 3.27Å; R353-A357 WeakPolarHBondContact O-CB 3.4Å; R353-A357 PolarHBondContact O-N 2.91Å; A357-A359 VanDerWaalsContact C-N 3.35Å; A357-A359 PolarHBondContact O-N 2.97Å; A357-E360 PolarHBondContact O-N 3.5Å; A357-T361 VanDerWaalsContact O-CG2 3.31Å; A357-T361 WeakPolarHBondContact O-CG2 3.41Å; A357-T361 PolarHBondContact O-N 3.14Å; A357-T361 PolarHBondContact O-OG1 3.47Å
358A89.8Confident88.6Confident53 Ų5386 Ų8644%0.43844%0.437SS..Hα-helixtrans-60.5-43.6174.100000111.5K354 L356 E360 T361 L362K354-A358 WeakPolarHBondContact O-CB 3.41Å; K354-A358 PolarHBondContact O-N 3.47Å; L356-A358 VanDerWaalsContact C-N 3.33Å; L356-A358 PolarHBondContact O-N 2.84Å; A358-E360 VanDerWaalsContact C-N 3.35Å; A358-E360 PolarHBondContact O-N 3.32Å; A358-T361 WeakPolarHBondContact CA-OG1 3.39Å; A358-T361 PolarHBondContact O-N 3.44Å; A358-T361 PolarHBondContact O-OG1 2.91Å; A358-L362 VanDerWaalsContact O-CB 3.26Å; A358-L362 WeakPolarHBondContact O-CB 3.37Å; A358-L362 PolarHBondContact O-N 3.46Å
359A87.7Confident88.5Confident8 Ų886.2 Ų86.27%0.06643%0.429CS..Hα-helixtrans-66.2-33.9176.500000113.2Y275 K280 K355 L356 A357 T363Y275-A359 HydrophobicContact CE1-CB 3.87Å; K280-A359 HydrophobicContact CD-CB 4.39Å; K355-A359 WeakPolarHBondContact O-CB 3.28Å; K355-A359 PolarHBondContact O-N 3.33Å; L356-A359 CarbonylContact O-C 3.51Å; L356-A359 WeakPolarHBondContact O-CB 3.46Å; L356-A359 PolarHBondContact O-N 3.44Å; L356-A359 VanDerWaalsContact O-N 3.1Å; A357-A359 VanDerWaalsContact C-N 3.35Å; A357-A359 PolarHBondContact O-N 2.97Å; A359-T363 WeakPolarHBondContact O-CG2 3.4Å; A359-T363 PolarHBondContact O-N 3.02Å; A359-T363 PolarHBondContact O-OG1 3.27Å; A359-T363 VanDerWaalsContact O-OG1 3.13Å
360E87.2Confident88.2Confident108 Ų10885.6 Ų85.651%0.50542%0.423SS..Hα-helixtrans-69.8-44.1172.9-74.2170.3-171.600111.8L356 A357 A358 L362 T363 T364L356-E360 WeakPolarHBondContact O-CG 3.39Å; L356-E360 PolarHBondContact O-N 3.43Å; A357-E360 PolarHBondContact O-N 3.5Å; A358-E360 VanDerWaalsContact C-N 3.35Å; A358-E360 PolarHBondContact O-N 3.32Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 2.93Å; E360-T363 VanDerWaalsContact CA-OG1 3.3Å; E360-T363 WeakPolarHBondContact CA-OG1 3.31Å; E360-T363 PolarHBondContact O-N 2.93Å; E360-T363 PolarHBondContact O-OG1 2.73Å; E360-T364 WeakPolarHBondContact O-CG2 3.4Å; E360-T364 PolarHBondContact O-N 3.42Å; E360-T364 PolarHBondContact O-OG1 3.29Å
361T91.5Very high88Confident78 Ų7886.2 Ų86.248%0.47942%0.424SS..Hα-helixtrans-61.7-38.9173.359.60000111.3A357 A358 T364 I365A357-T361 VanDerWaalsContact O-CG2 3.31Å; A357-T361 WeakPolarHBondContact O-CG2 3.41Å; A357-T361 PolarHBondContact O-N 3.14Å; A357-T361 PolarHBondContact O-OG1 3.47Å; A358-T361 WeakPolarHBondContact CA-OG1 3.39Å; A358-T361 PolarHBondContact O-N 3.44Å; A358-T361 PolarHBondContact O-OG1 2.91Å; T361-T364 VanDerWaalsContact CA-OG1 3.31Å; T361-T364 WeakPolarHBondContact CA-OG1 3.35Å; T361-T364 PolarHBondContact O-N 2.91Å; T361-T364 PolarHBondContact O-OG1 2.94Å; T361-I365 WeakPolarHBondContact O-CB 3.27Å; T361-I365 WeakPolarHBondContact O-CD1 3.41Å; T361-I365 WeakPolarHBondContact O-CG1 3.26Å; T361-I365 PolarHBondContact O-N 2.95Å
362L86.8Confident87.9Confident44 Ų4487.2 Ų87.223%0.2343%0.426CS..Hα-helixtrans-66.6-43.1175.9179.8161000111.4I272 A358 E360 I365 R366I272-L362 HydrophobicContact CD1-CD1 4.12Å; I272-L362 HydrophobicContact CG2-CD1 3.85Å; A358-L362 VanDerWaalsContact O-CB 3.26Å; A358-L362 WeakPolarHBondContact O-CB 3.37Å; A358-L362 PolarHBondContact O-N 3.46Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 2.93Å; L362-I365 PolarHBondContact O-N 3.25Å; L362-R366 HydrophobicContact CD2-CG 4.18Å; L362-R366 WeakPolarHBondContact O-CB 3.24Å; L362-R366 WeakPolarHBondContact O-CG 3.42Å; L362-R366 PolarHBondContact O-N 3.36Å
363T85.9Confident87.5Confident36 Ų3681.7 Ų81.722%0.22141%0.407CS..Hα-helixtrans-62.5-46.7174.445.80000111.4M276 A359 E360 I365 R366 D367M276-T363 HydrophobicContact CE-CG2 4.07Å; A359-T363 WeakPolarHBondContact O-CG2 3.4Å; A359-T363 PolarHBondContact O-N 3.02Å; A359-T363 PolarHBondContact O-OG1 3.27Å; A359-T363 VanDerWaalsContact O-OG1 3.13Å; E360-T363 VanDerWaalsContact CA-OG1 3.3Å; E360-T363 WeakPolarHBondContact CA-OG1 3.31Å; E360-T363 PolarHBondContact O-N 2.93Å; E360-T363 PolarHBondContact O-OG1 2.73Å; T363-I365 VanDerWaalsContact C-N 3.35Å; T363-I365 PolarHBondContact O-N 3.36Å; T363-R366 WeakPolarHBondContact O-CB 3.41Å; T363-R366 PolarHBondContact O-N 3.45Å; T363-R366 VanDerWaalsContact O-N 3.14Å; T363-D367 WeakPolarHBondContact O-CB 3.29Å; T363-D367 PolarHBondContact O-N 2.94Å
364T90Very high87.2Confident68 Ų6875 Ų7542%0.41739%0.386SS..Hα-helixtrans-64-36178.553.50000113.3E360 T361 R368E360-T364 WeakPolarHBondContact O-CG2 3.4Å; E360-T364 PolarHBondContact O-N 3.42Å; E360-T364 PolarHBondContact O-OG1 3.29Å; T361-T364 VanDerWaalsContact CA-OG1 3.31Å; T361-T364 WeakPolarHBondContact CA-OG1 3.35Å; T361-T364 PolarHBondContact O-N 2.91Å; T361-T364 PolarHBondContact O-OG1 2.94Å; T364-R368 WeakPolarHBondContact O-CB 3.43Å; T364-R368 VanDerWaalsContact O-CG 3.29Å; T364-R368 WeakPolarHBondContact O-CG 3.29Å; T364-R368 PolarHBondContact O-N 3.49Å
365I89.8Confident86.9Confident103 Ų10374.1 Ų74.153%0.52838%0.378SS..Hα-helixtrans-68.3-42173.3-69.7166.9000110.5T361 L362 T363 D367 R368 L369T361-I365 WeakPolarHBondContact O-CB 3.27Å; T361-I365 WeakPolarHBondContact O-CD1 3.41Å; T361-I365 WeakPolarHBondContact O-CG1 3.26Å; T361-I365 PolarHBondContact O-N 2.95Å; L362-I365 PolarHBondContact O-N 3.25Å; T363-I365 VanDerWaalsContact C-N 3.35Å; T363-I365 PolarHBondContact O-N 3.36Å; I365-D367 VanDerWaalsContact C-N 3.34Å; I365-R368 PolarHBondContact O-N 2.93Å; I365-L369 VanDerWaalsContact O-CB 3.29Å; I365-L369 WeakPolarHBondContact O-CB 3.39Å; I365-L369 PolarHBondContact O-N 3.18Å
366R85.2Confident86.5Confident92 Ų9274 Ų7435%0.34738%0.381SS..Hα-helixtrans-62-41.6174.8-77.3-176179.7166.9-3.1111.7L362 T363 L369 S370L362-R366 HydrophobicContact CD2-CG 4.18Å; L362-R366 WeakPolarHBondContact O-CB 3.24Å; L362-R366 WeakPolarHBondContact O-CG 3.42Å; L362-R366 PolarHBondContact O-N 3.36Å; T363-R366 WeakPolarHBondContact O-CB 3.41Å; T363-R366 PolarHBondContact O-N 3.45Å; T363-R366 VanDerWaalsContact O-N 3.14Å; R366-L369 PolarHBondContact O-N 3.37Å; R366-S370 WeakPolarHBondContact O-CB 3.49Å; R366-S370 PolarHBondContact O-N 3.31Å
367D86.3Confident86.1Confident105 Ų10574.8 Ų74.856%0.56138%0.383SS*.Hα-helixtrans-65.2-44.8177-63.8-22.8000110.8T363 I365 L369 S370 E371T363-D367 WeakPolarHBondContact O-CB 3.29Å; T363-D367 PolarHBondContact O-N 2.94Å; I365-D367 VanDerWaalsContact C-N 3.34Å; D367-L369 VanDerWaalsContact C-N 3.33Å; D367-L369 PolarHBondContact O-N 2.89Å; D367-S370 WeakPolarHBondContact O-CB 3.36Å; D367-S370 PolarHBondContact O-N 2.75Å; D367-E371 WeakPolarHBondContact O-CB 3.44Å; D367-E371 PolarHBondContact O-N 3.34Å
368R89.8Confident85.6Confident171 Ų17177.8 Ų77.865%0.64539%0.39SS*.Hα-helixtrans-62.5-37.8173.2-76.9177.9179-1791.2112.6T364 I365 E371 L372T364-R368 WeakPolarHBondContact O-CB 3.43Å; T364-R368 VanDerWaalsContact O-CG 3.29Å; T364-R368 WeakPolarHBondContact O-CG 3.29Å; T364-R368 PolarHBondContact O-N 3.49Å; I365-R368 PolarHBondContact O-N 2.93Å; R368-E371 PolarHBondContact O-N 3.43Å; R368-L372 VanDerWaalsContact O-CB 3.32Å; R368-L372 WeakPolarHBondContact O-CB 3.46Å; R368-L372 VanDerWaalsContact O-CG 3.26Å; R368-L372 WeakPolarHBondContact O-CG 3.42Å; R368-L372 PolarHBondContact O-N 3.02Å
369L85.6Confident85.1Confident64 Ų6480.6 Ų80.634%0.33540%0.395SS..Hα-helixtrans-66.5-42.7176.6-163.9171.8000110.1I365 R366 D367 L372 N373I365-L369 VanDerWaalsContact O-CB 3.29Å; I365-L369 WeakPolarHBondContact O-CB 3.39Å; I365-L369 PolarHBondContact O-N 3.18Å; R366-L369 PolarHBondContact O-N 3.37Å; D367-L369 VanDerWaalsContact C-N 3.33Å; D367-L369 PolarHBondContact O-N 2.89Å; L369-L372 PolarHBondContact O-N 2.9Å; L369-N373 WeakPolarHBondContact CD2-ND2 3.27Å; L369-N373 WeakPolarHBondContact O-CB 3.44Å; L369-N373 PolarHBondContact O-N 3.08Å; L369-N373 PolarHBondContact O-ND2 2.78Å
370S83Confident84.5Confident33 Ų3384.8 Ų84.823%0.23141%0.412CS..Hα-helixtrans-61.1-47.3172.5-175.80000111.8R366 D367 L372 N373 N374R366-S370 WeakPolarHBondContact O-CB 3.49Å; R366-S370 PolarHBondContact O-N 3.31Å; D367-S370 WeakPolarHBondContact O-CB 3.36Å; D367-S370 PolarHBondContact O-N 2.75Å; S370-L372 PolarHBondContact O-N 3.27Å; S370-N373 WeakPolarHBondContact O-CB 3.45Å; S370-N373 PolarHBondContact O-N 3.45Å; S370-N374 WeakPolarHBondContact O-CB 3.49Å; S370-N374 VanDerWaalsContact O-CG 3.25Å; S370-N374 PolarHBondContact O-N 2.86Å; S370-N374 PolarHBondContact O-OD1 2.95Å
371E87.1Confident83.9Confident89 Ų8983.9 Ų83.942%0.41642%0.417SS..Hα-helixtrans-60.7-45.3176.5-173.2-173.2175.600112.1D367 R368 N374 R375D367-E371 WeakPolarHBondContact O-CB 3.44Å; D367-E371 PolarHBondContact O-N 3.34Å; R368-E371 PolarHBondContact O-N 3.43Å; E371-N374 PolarHBondContact O-N 2.98Å; E371-R375 WeakPolarHBondContact O-CB 3.5Å; E371-R375 WeakPolarHBondContact O-CG 3.34Å; E371-R375 PolarHBondContact O-N 2.94Å; E371-R375 IonicContact OE1-CZ 2.73Å; E371-R375 IonicContact OE1-NE 3.14Å; E371-R375 IonicContact OE1-NH1 2.63Å; E371-R375 IonicContact OE1-NH2 3.17Å; E371-R375 PolarHBondContact OE1-NH2 3.26Å
372L86.5Confident83.1Confident107 Ų10787.6 Ų87.656%0.5643%0.429SS*.Hα-helixtrans-65.8-37.4175.9-74.6173.8000112R368 L369 S370 R375 L376R368-L372 VanDerWaalsContact O-CB 3.32Å; R368-L372 WeakPolarHBondContact O-CB 3.46Å; R368-L372 VanDerWaalsContact O-CG 3.26Å; R368-L372 WeakPolarHBondContact O-CG 3.42Å; R368-L372 PolarHBondContact O-N 3.02Å; L369-L372 PolarHBondContact O-N 2.9Å; S370-L372 PolarHBondContact O-N 3.27Å; L372-R375 PolarHBondContact O-N 3.43Å; L372-L376 VanDerWaalsContact O-CB 3.25Å; L372-L376 WeakPolarHBondContact O-CB 3.49Å; L372-L376 PolarHBondContact O-N 2.99Å
373N80Confident82Confident32 Ų3290.9 Ų90.917%0.17145%0.446CS..Hα-helixtrans-65-43.3173.9-83.4-23.1000111.4L369 S370 L376 E377L369-N373 WeakPolarHBondContact CD2-ND2 3.27Å; L369-N373 WeakPolarHBondContact O-CB 3.44Å; L369-N373 PolarHBondContact O-N 3.08Å; L369-N373 PolarHBondContact O-ND2 2.78Å; S370-N373 WeakPolarHBondContact O-CB 3.45Å; S370-N373 PolarHBondContact O-N 3.45Å; N373-L376 CarbonylContact O-C 3.54Å; N373-L376 WeakPolarHBondContact O-CB 3.38Å; N373-L376 PolarHBondContact O-N 3.46Å; N373-L376 VanDerWaalsContact O-N 3.16Å; N373-E377 WeakPolarHBondContact O-CG 3.43Å; N373-E377 PolarHBondContact O-N 3.48Å
374N82.2Confident80.6Confident48 Ų4892 Ų9226%0.25747%0.466SS..Hα-helixtrans-62.5-45.2176-69.5-11.3000110.4S370 E371 L376 E377 E378S370-N374 WeakPolarHBondContact O-CB 3.49Å; S370-N374 VanDerWaalsContact O-CG 3.25Å; S370-N374 PolarHBondContact O-N 2.86Å; S370-N374 PolarHBondContact O-OD1 2.95Å; E371-N374 PolarHBondContact O-N 2.98Å; N374-L376 VanDerWaalsContact C-N 3.29Å; N374-L376 PolarHBondContact O-N 3.26Å; N374-E377 CarbonylContact O-C 3.6Å; N374-E377 PolarHBondContact O-N 3.13Å; N374-E377 VanDerWaalsContact O-N 3.17Å; N374-E378 WeakPolarHBondContact O-CB 3.36Å; N374-E378 WeakPolarHBondContact O-CG 3.47Å; N374-E378 PolarHBondContact O-N 3.06Å
375R85.6Confident79Confident128 Ų12892.9 Ų92.948%0.48347%0.471SS..Hα-helixtrans-60.8-36.8172.4-75.3-179179.4156.77.3112.8E371 L372 M379E371-R375 WeakPolarHBondContact O-CB 3.5Å; E371-R375 WeakPolarHBondContact O-CG 3.34Å; E371-R375 PolarHBondContact O-N 2.94Å; E371-R375 IonicContact OE1-CZ 2.73Å; E371-R375 IonicContact OE1-NE 3.14Å; E371-R375 IonicContact OE1-NH1 2.63Å; E371-R375 IonicContact OE1-NH2 3.17Å; E371-R375 PolarHBondContact OE1-NH2 3.26Å; L372-R375 PolarHBondContact O-N 3.43Å; R375-M379 VanDerWaalsContact O-CB 3.29Å; R375-M379 WeakPolarHBondContact O-CB 3.47Å; R375-M379 VanDerWaalsContact O-CG 3.27Å; R375-M379 WeakPolarHBondContact O-CG 3.41Å; R375-M379 PolarHBondContact O-N 3.08Å
376L79.6Confident76.8Confident83 Ų8392.3 Ų92.344%0.43548%0.476SS..Hα-helixtrans-68.5-38.9176.8-161.4171.3000110.3L372 N373 N374 K380L372-L376 VanDerWaalsContact O-CB 3.25Å; L372-L376 WeakPolarHBondContact O-CB 3.49Å; L372-L376 PolarHBondContact O-N 2.99Å; N373-L376 CarbonylContact O-C 3.54Å; N373-L376 WeakPolarHBondContact O-CB 3.38Å; N373-L376 PolarHBondContact O-N 3.46Å; N373-L376 VanDerWaalsContact O-N 3.16Å; N374-L376 VanDerWaalsContact C-N 3.29Å; N374-L376 PolarHBondContact O-N 3.26Å; L376-K380 HydrophobicContact CD2-CD 3.46Å; L376-K380 VanDerWaalsContact CD2-CD 3.46Å; L376-K380 HydrophobicContact CD2-CG 3.9Å; L376-K380 VanDerWaalsContact O-CB 3.29Å; L376-K380 WeakPolarHBondContact O-CB 3.5Å; L376-K380 VanDerWaalsContact O-CG 3.25Å; L376-K380 WeakPolarHBondContact O-CG 3.3Å; L376-K380 PolarHBondContact O-N 2.91Å
377E77.4Confident74.8Confident74 Ų7492.1 Ų92.135%0.34649%0.489SS..Hα-helixtrans-67.4-42.2172.9-74.2-174.6169.900112.5K248 N373 N374 K380 S381K248-E377 IonicContact NZ-OE1 3.87Å; K248-E377 PolarHBondContact NZ-OE1 3.25Å; N373-E377 WeakPolarHBondContact O-CG 3.43Å; N373-E377 PolarHBondContact O-N 3.48Å; N374-E377 CarbonylContact O-C 3.6Å; N374-E377 PolarHBondContact O-N 3.13Å; N374-E377 VanDerWaalsContact O-N 3.17Å; E377-K380 WeakPolarHBondContact O-CB 3.37Å; E377-K380 PolarHBondContact O-N 3.5Å; E377-S381 WeakPolarHBondContact O-CB 3.38Å; E377-S381 PolarHBondContact O-N 3.32Å; E377-S381 PolarHBondContact O-OG 3.17Å
378E81.1Confident72.6Confident110 Ų11092.2 Ų92.251%0.51449%0.493SS..Hα-helixtrans-62.5-44.2172.2-73.4172.6-175.200111.5N374 K380 S381 Q382N374-E378 WeakPolarHBondContact O-CB 3.36Å; N374-E378 WeakPolarHBondContact O-CG 3.47Å; N374-E378 PolarHBondContact O-N 3.06Å; E378-K380 VanDerWaalsContact C-N 3.33Å; E378-K380 PolarHBondContact O-N 2.87Å; E378-S381 WeakPolarHBondContact CA-OG 3.26Å; E378-S381 PolarHBondContact O-N 2.82Å; E378-S381 PolarHBondContact O-OG 3.37Å; E378-Q382 VanDerWaalsContact O-CB 3.32Å; E378-Q382 WeakPolarHBondContact O-CB 3.18Å; E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 2.94Å
379M79Confident70.4Confident112 Ų11290.2 Ų90.255%0.55249%0.494SS*.Hα-helixtrans-65.4-38174.6-77.2-17280.100111.2R375 Q382 L383R375-M379 VanDerWaalsContact O-CB 3.29Å; R375-M379 WeakPolarHBondContact O-CB 3.47Å; R375-M379 VanDerWaalsContact O-CG 3.27Å; R375-M379 WeakPolarHBondContact O-CG 3.41Å; R375-M379 PolarHBondContact O-N 3.08Å; M379-Q382 PolarHBondContact O-N 3.43Å; M379-L383 WeakPolarHBondContact O-CB 3.29Å; M379-L383 WeakPolarHBondContact O-CD1 3.48Å; M379-L383 WeakPolarHBondContact O-CG 3.38Å; M379-L383 PolarHBondContact O-N 2.99Å
380K74.3Confident68.1Low95 Ų9593.8 Ų93.841%0.41351%0.513SS..Hα-helixtrans-64.7-41.3174.8-84173.6170.31750112.1L376 E377 E378 G384 V385L376-K380 HydrophobicContact CD2-CD 3.46Å; L376-K380 VanDerWaalsContact CD2-CD 3.46Å; L376-K380 HydrophobicContact CD2-CG 3.9Å; L376-K380 VanDerWaalsContact O-CB 3.29Å; L376-K380 WeakPolarHBondContact O-CB 3.5Å; L376-K380 VanDerWaalsContact O-CG 3.25Å; L376-K380 WeakPolarHBondContact O-CG 3.3Å; L376-K380 PolarHBondContact O-N 2.91Å; E377-K380 WeakPolarHBondContact O-CB 3.37Å; E377-K380 PolarHBondContact O-N 3.5Å; E378-K380 VanDerWaalsContact C-N 3.33Å; E378-K380 PolarHBondContact O-N 2.87Å; K380-G384 PolarHBondContact O-N 3.41Å; K380-V385 PolarHBondContact O-N 3.17Å
381S74.8Confident66Low89 Ų89100.6 Ų100.662%0.62254%0.541SS*.Hα-helixtrans-68.2-40176.168.50000111.2E377 E378 G384E377-S381 WeakPolarHBondContact O-CB 3.38Å; E377-S381 PolarHBondContact O-N 3.32Å; E377-S381 PolarHBondContact O-OG 3.17Å; E378-S381 WeakPolarHBondContact CA-OG 3.26Å; E378-S381 PolarHBondContact O-N 2.82Å; E378-S381 PolarHBondContact O-OG 3.37Å; S381-G384 PolarHBondContact O-N 2.87Å
382Q75.5Confident63.5Low156 Ų156103.7 Ų103.773%0.72956%0.561SS**Hα-helixtrans-65.5-40173.6-74.3173.79.900113.3E378 M379 G384E378-Q382 VanDerWaalsContact O-CB 3.32Å; E378-Q382 WeakPolarHBondContact O-CB 3.18Å; E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 2.94Å; M379-Q382 PolarHBondContact O-N 3.43Å; Q382-G384 PolarHBondContact O-N 2.91Å
383L63.8Low61Low113 Ų113101.9 Ų101.959%0.59257%0.569SS**THydrogen-bonded Turntrans-73.4-2.1176.9-80.5155.5000112.6M379 V385M379-L383 WeakPolarHBondContact O-CB 3.29Å; M379-L383 WeakPolarHBondContact O-CD1 3.48Å; M379-L383 WeakPolarHBondContact O-CG 3.38Å; M379-L383 PolarHBondContact O-N 2.99Å; L383-V385 HydrophobicContact CB-CG2 4.07Å; L383-V385 PolarHBondContact O-N 2.9Å
384G56.4Low58.8Low61 Ų61109.3 Ų109.363%0.62960%0.602SS**THydrogen-bonded Turntrans63.48.9-177.800000113.7K380 S381 Q382 S386K380-G384 PolarHBondContact O-N 3.41Å; S381-G384 PolarHBondContact O-N 2.87Å; Q382-G384 PolarHBondContact O-N 2.91Å; G384-S386 PolarHBondContact O-N 2.89Å
385V55Low56.4Low86 Ų86115 Ų11552%0.52163%0.632SS.*  trans-8369.9177.6-172.30000107.2K380 L383 S387K380-V385 PolarHBondContact O-N 3.17Å; L383-V385 HydrophobicContact CB-CG2 4.07Å; L383-V385 PolarHBondContact O-N 2.9Å; V385-S387 VanDerWaalsContact C-N 3.28Å; V385-S387 PolarHBondContact O-N 3.49Å
386S45.4Very low53.9Low91 Ų91112.5 Ų112.564%0.63665%0.647SS**  trans-62104.4153-167.90000105.2G384 T388G384-S386 PolarHBondContact O-N 2.89Å; S386-T388 PolarHBondContact O-N 3.29Å
387S43.5Very low51.5Low88 Ų88116.3 Ų116.362%0.61567%0.667SS**  trans-69.464.2168.954.30000109V385 I389V385-S387 VanDerWaalsContact C-N 3.28Å; V385-S387 PolarHBondContact O-N 3.49Å; S387-I389 PolarHBondContact O-N 3.46Å
388T39.7Very low49.4Very low107 Ų107116 Ų11666%0.65668%0.684SS**  trans-80.864.5148.553.10000106.3S386S386-T388 PolarHBondContact O-N 3.29Å
389I42.2Very low47.1Very low128 Ų128118.6 Ų118.666%0.65670%0.7SS**  trans-109.186.1153.5-61.4177.7000103.1S387 Q391S387-I389 PolarHBondContact O-N 3.46Å; I389-Q391 HydrophobicContact CG2-CG 4.26Å; I389-Q391 PolarHBondContact O-N 2.68Å
390D38.4Very low45Very low139 Ų139116.8 Ų116.874%0.74370%0.702SS**  trans-46.9107.6156.7-68.5-45.8000107.3N392D390-N392 PolarHBondContact O-N 2.8Å
391Q37.6Very low43Very low176 Ų176115.5 Ų115.582%0.82270%0.703SS**  trans-85.924.1171.7-72.8-169.6-10.900111.5I389I389-Q391 HydrophobicContact CG2-CG 4.26Å; I389-Q391 PolarHBondContact O-N 2.68Å
392N35.1Very low41.2Very low154 Ų154116.5 Ų116.582%0.82470%0.701SS**SBendtrans-131.3112.7179.9-68.5-14.8000109.9D390D390-N392 PolarHBondContact O-N 2.8Å
393G34Very low39.7Very low70 Ų70119.3 Ų119.372%0.72271%0.711SS**  trans92.298.7172.500000112
394E33.7Very low38.3Very low187 Ų187118.4 Ų118.487%0.87472%0.72SS**  37.511877.7-73.1-173.1167.300112.8
395D33.1Very low37.4Very low167 Ų167122.2 Ų122.289%0.89373%0.725SS**  trans77.2112.4169.6-53.5-27.4000118.4
396G32.3Very low36.8Very low76 Ų76124.9 Ų124.978%0.78474%0.736SS**  trans151.280.4158.200000114.8G398G396-G398 PolarHBondContact O-N 3.37Å
397D29.6Very low36.9Very low163 Ų163129.2 Ų129.287%0.87275%0.752SS**  trans-49.5106.7166-160.312.4000110.7
398G33.3Very low37.1Very low67 Ų67129.7 Ų129.769%0.69176%0.755SS**  trans-142.564.6-170.100000111.7G396 A400G396-G398 PolarHBondContact O-N 3.37Å; G398-A400 PolarHBondContact O-N 2.88Å
399I32.7Very low37.6Very low165 Ų165129.9 Ų129.985%0.84676%0.759SS**  trans-63.696.6164.1-61.1170.1000108
400A35.1Very low38.4Very low74 Ų74128.3 Ų128.361%0.61275%0.752SS**  trans-150.5105.5166.300000112.1G398G398-A400 PolarHBondContact O-N 2.88Å
401T32.2Very low39.7Very low68 Ų68128.6 Ų128.642%0.41775%0.746SS.*SBendtrans58.581.9132.962.60000118.6
402N37.1Very low41.5Very low110 Ų110125.2 Ų125.259%0.58874%0.738SS**  trans-159.439.8133.9-94.6-33.3000112A404 H543N402-A404 VanDerWaalsContact C-N 3.33Å; N402-A404 PolarHBondContact O-N 2.91Å; N402-H543 PolarHBondContact OD1-CE1 2.84Å; N402-H543 PolarHBondContact OD1-NE2 3.36Å
403K42.9Very low43.5Very low215 Ų215122.9 Ų122.994%0.93573%0.725SS**THydrogen-bonded Turntrans-89.619.5-168.6-139.1171.2-169.6168.30115.3
404A35.5Very low45.6Very low95 Ų95124.1 Ų124.179%0.78571%0.712SS**THydrogen-bonded Turntrans-116.6-1.6-168.200000115.8N402N402-A404 VanDerWaalsContact C-N 3.33Å; N402-A404 PolarHBondContact O-N 2.91Å
405L37.2Very low47.8Very low140 Ų140120.5 Ų120.573%0.73369%0.694SS**SBendtrans-139.14.5177.5-89.9151.6000115.3L407L405-L407 PolarHBondContact O-N 3.25Å
406D41.6Very low50.1Low142 Ų142118.4 Ų118.476%0.75968%0.679SS**  trans-87.474.4171.9-85.1-16.4000110.8S408D406-S408 VanDerWaalsContact C-N 3.34Å
407L48.4Very low52.6Low183 Ų183123.7 Ų123.796%0.95868%0.675SS**  trans-89.4-2.4172.5-153.572.7000112.5L405L405-L407 PolarHBondContact O-N 3.25Å
408S47.1Very low55.1Low97 Ų97122 Ų12268%0.67866%0.657SS**SBendtrans-106.1107.4-177.4550000111.3D406D406-S408 VanDerWaalsContact C-N 3.34Å
409C50.1Low57.6Low112 Ų112120.5 Ų120.576%0.75764%0.635SS**  trans8667165.1-146.90000116.6K411C409-K411 PolarHBondContact O-N 3.11Å
410L58.4Low60.2Low94 Ų94115.4 Ų115.449%0.49262%0.617SS.*  trans-53.5125.9147.7-75.3160.7000107.6E414 F415L410-E414 HydrophobicContact CB-CB 4.29Å; L410-E414 HydrophobicContact CD2-CB 4.01Å; L410-F415 HydrophobicContact CB-CB 4.14Å; L410-F415 HydrophobicContact CD1-CD2 4.47Å
411K67.6Low62.8Low146 Ų146118.3 Ų118.364%0.63562%0.616SS**  trans-54.6151.2175.3-73.7179.3179.1172.60109.7C409 D413 E414 F415C409-K411 PolarHBondContact O-N 3.11Å; K411-D413 PolarHBondContact O-N 3.24Å; K411-E414 HydrophobicContact CB-CG 4.28Å; K411-E414 PolarHBondContact N-OE2 2.95Å; K411-E414 CarbonylContact O-C 3.56Å; K411-E414 WeakPolarHBondContact O-CA 3.47Å; K411-E414 WeakPolarHBondContact O-CB 3.32Å; K411-E414 PolarHBondContact O-N 3.29Å; K411-F415 PolarHBondContact O-N 2.88Å
412T74.7Confident65.6Low104 Ų104119.7 Ų119.764%0.63862%0.62SS**Hα-helixtrans-48-41.8-175.6-50.10000112.9F415 Q416T412-F415 PolarHBondContact O-N 3.43Å; T412-Q416 WeakPolarHBondContact O-CB 3.32Å; T412-Q416 WeakPolarHBondContact O-CG 3.42Å; T412-Q416 PolarHBondContact O-N 2.9Å
413D77.6Confident68.1Low106 Ų106122.8 Ų122.857%0.56762%0.624SS**Hα-helixtrans-68.1-38.8177.4-68.3-5.7000113K411 Q416 R417K411-D413 PolarHBondContact O-N 3.24Å; D413-Q416 PolarHBondContact O-N 3.5Å; D413-R417 WeakPolarHBondContact O-CB 3.35Å; D413-R417 VanDerWaalsContact O-CG 3.24Å; D413-R417 WeakPolarHBondContact O-CG 3.44Å; D413-R417 PolarHBondContact O-N 3.49Å
414E78.1Confident70.4Confident95 Ų95115.3 Ų115.344%0.44460%0.599SS.*Hα-helixtrans-70-38.9177-63.6179.4158.800111.3L410 K411 R417 Y418L410-E414 HydrophobicContact CB-CB 4.29Å; L410-E414 HydrophobicContact CD2-CB 4.01Å; K411-E414 HydrophobicContact CB-CG 4.28Å; K411-E414 PolarHBondContact N-OE2 2.95Å; K411-E414 CarbonylContact O-C 3.56Å; K411-E414 WeakPolarHBondContact O-CA 3.47Å; K411-E414 WeakPolarHBondContact O-CB 3.32Å; K411-E414 PolarHBondContact O-N 3.29Å; E414-R417 PolarHBondContact O-N 2.92Å; E414-Y418 WeakPolarHBondContact O-CB 3.46Å; E414-Y418 PolarHBondContact O-N 3.4Å
415F78.5Confident73Confident111 Ų111117 Ų11749%0.48759%0.588SS.*Hα-helixtrans-65.9-43173.3-176.7-104.5000111.4L410 K411 T412 R417 Y418 V419L410-F415 HydrophobicContact CB-CB 4.14Å; L410-F415 HydrophobicContact CD1-CD2 4.47Å; K411-F415 PolarHBondContact O-N 2.88Å; T412-F415 PolarHBondContact O-N 3.43Å; F415-R417 PolarHBondContact O-N 3.28Å; F415-Y418 WeakPolarHBondContact O-CB 3.31Å; F415-Y418 PolarHBondContact O-N 2.92Å; F415-Y418 VanDerWaalsContact O-N 3.17Å; F415-V419 HydrophobicContact CD1-CG2 4.06Å; F415-V419 HydrophobicContact CD2-CG2 4.47Å; F415-V419 HydrophobicContact CE1-CG2 3.64Å; F415-V419 HydrophobicContact CE2-CG2 4.08Å; F415-V419 HydrophobicContact CG-CG2 4.47Å; F415-V419 HydrophobicContact CZ-CG2 3.65Å; F415-V419 WeakPolarHBondContact O-CG2 3.3Å; F415-V419 PolarHBondContact O-N 3.01Å
416Q83Confident75.6Confident123 Ų123114.3 Ų114.358%0.57558%0.575SS**Hα-helixtrans-60.9-44.3174.1-78.2-172.91100111.8T412 D413 Y418 V419 A420T412-Q416 WeakPolarHBondContact O-CB 3.32Å; T412-Q416 WeakPolarHBondContact O-CG 3.42Å; T412-Q416 PolarHBondContact O-N 2.9Å; D413-Q416 PolarHBondContact O-N 3.5Å; Q416-Y418 VanDerWaalsContact C-N 3.31Å; Q416-Y418 PolarHBondContact O-N 2.99Å; Q416-V419 PolarHBondContact O-N 3.44Å; Q416-A420 WeakPolarHBondContact O-CB 3.29Å; Q416-A420 PolarHBondContact O-N 3.29Å
417R83.3Confident78Confident187 Ų187112 Ų11271%0.70657%0.566SS**Hα-helixtrans-60.7-40.7173.5-73.7173.2-173.3-174.93.6111.5D413 E414 F415 K421D413-R417 WeakPolarHBondContact O-CB 3.35Å; D413-R417 VanDerWaalsContact O-CG 3.24Å; D413-R417 WeakPolarHBondContact O-CG 3.44Å; D413-R417 PolarHBondContact O-N 3.49Å; E414-R417 PolarHBondContact O-N 2.92Å; F415-R417 PolarHBondContact O-N 3.28Å; R417-K421 VanDerWaalsContact O-CB 3.31Å; R417-K421 WeakPolarHBondContact O-CB 3.36Å; R417-K421 PolarHBondContact O-N 3.19Å
418Y82.8Confident80.1Confident128 Ų128107.8 Ų107.850%0.50254%0.543SS..Hα-helixtrans-63.6-46.9176.3178.6-98.8000112E414 F415 Q416 K421 L422E414-Y418 WeakPolarHBondContact O-CB 3.46Å; E414-Y418 PolarHBondContact O-N 3.4Å; F415-Y418 WeakPolarHBondContact O-CB 3.31Å; F415-Y418 PolarHBondContact O-N 2.92Å; F415-Y418 VanDerWaalsContact O-N 3.17Å; Q416-Y418 VanDerWaalsContact C-N 3.31Å; Q416-Y418 PolarHBondContact O-N 2.99Å; Y418-K421 CarbonylContact O-C 3.45Å; Y418-K421 WeakPolarHBondContact O-CB 3.28Å; Y418-K421 PolarHBondContact O-N 2.96Å; Y418-L422 PolarHBondContact O-N 3.48Å
419V86Confident82.2Confident36 Ų36109.7 Ų109.722%0.21854%0.537CS..Hα-helixtrans-64.2-42.8176.9171.40000111.3F415 Q416 K421 L422 R423F415-V419 HydrophobicContact CD1-CG2 4.06Å; F415-V419 HydrophobicContact CD2-CG2 4.47Å; F415-V419 HydrophobicContact CE1-CG2 3.64Å; F415-V419 HydrophobicContact CE2-CG2 4.08Å; F415-V419 HydrophobicContact CG-CG2 4.47Å; F415-V419 HydrophobicContact CZ-CG2 3.65Å; F415-V419 WeakPolarHBondContact O-CG2 3.3Å; F415-V419 PolarHBondContact O-N 3.01Å; Q416-V419 PolarHBondContact O-N 3.44Å; V419-K421 VanDerWaalsContact C-N 3.3Å; V419-K421 PolarHBondContact O-N 3.49Å; V419-L422 PolarHBondContact O-N 2.82Å; V419-L422 VanDerWaalsContact O-N 3.13Å; V419-R423 HydrophobicContact CG1-CG 4.45Å; V419-R423 WeakPolarHBondContact O-CG 3.44Å; V419-R423 PolarHBondContact O-N 3.11Å
420A88.1Confident84.3Confident58 Ų58110.7 Ų110.748%0.47953%0.528SS..Hα-helixtrans-60-42.4175.200000111.3Q416 L422 R423 S424Q416-A420 WeakPolarHBondContact O-CB 3.29Å; Q416-A420 PolarHBondContact O-N 3.29Å; A420-L422 VanDerWaalsContact C-N 3.33Å; A420-L422 PolarHBondContact O-N 3.49Å; A420-R423 PolarHBondContact O-N 2.94Å; A420-S424 PolarHBondContact O-N 3.39Å; A420-S424 PolarHBondContact O-OG 2.85Å
421K89.5Confident85.9Confident134 Ų134111.5 Ų111.558%0.58353%0.529SS*.Hα-helixtrans-65.9-33.8174.7-167.6173.5-174.8174.50112.6R417 Y418 V419 S424 K425R417-K421 VanDerWaalsContact O-CB 3.31Å; R417-K421 WeakPolarHBondContact O-CB 3.36Å; R417-K421 PolarHBondContact O-N 3.19Å; Y418-K421 CarbonylContact O-C 3.45Å; Y418-K421 WeakPolarHBondContact O-CB 3.28Å; Y418-K421 PolarHBondContact O-N 2.96Å; V419-K421 VanDerWaalsContact C-N 3.3Å; V419-K421 PolarHBondContact O-N 3.49Å; K421-S424 PolarHBondContact O-OG 3.08Å; K421-K425 WeakPolarHBondContact O-CB 3.28Å; K421-K425 VanDerWaalsContact O-CG 3.32Å; K421-K425 WeakPolarHBondContact O-CG 3.24Å; K421-K425 PolarHBondContact O-N 3.08Å; K421-K425 VanDerWaalsContact O-N 3.13Å
422L90.3Very high87.1Confident97 Ų97110.3 Ų110.351%0.50852%0.524SS..Hα-helixtrans-71.6-40.9175.9-165.171.7000111.4Y418 V419 A420 K425 N426Y418-L422 PolarHBondContact O-N 3.48Å; V419-L422 PolarHBondContact O-N 2.82Å; V419-L422 VanDerWaalsContact O-N 3.13Å; A420-L422 VanDerWaalsContact C-N 3.33Å; A420-L422 PolarHBondContact O-N 3.49Å; L422-K425 PolarHBondContact O-N 2.84Å; L422-N426 WeakPolarHBondContact O-CB 3.43Å; L422-N426 PolarHBondContact O-N 3.27Å
423R89.8Confident88Confident176 Ų176113.5 Ų113.566%0.66452%0.524SS*.Hα-helixtrans-62.7-47.4175-71.9-179.5-168.9174.34.1111.4V419 A420 K425 N426 T427V419-R423 HydrophobicContact CG1-CG 4.45Å; V419-R423 WeakPolarHBondContact O-CG 3.44Å; V419-R423 PolarHBondContact O-N 3.11Å; A420-R423 PolarHBondContact O-N 2.94Å; R423-K425 VanDerWaalsContact C-N 3.32Å; R423-K425 PolarHBondContact O-N 3Å; R423-N426 PolarHBondContact O-N 3.28Å; R423-N426 VanDerWaalsContact O-N 3.14Å; R423-T427 PolarHBondContact O-N 2.96Å; R423-T427 PolarHBondContact O-OG1 3.36Å; R423-T427 VanDerWaalsContact O-OG1 3.11Å
424S90.1Very high88.7Confident58 Ų58110.8 Ų110.841%0.40652%0.517SS..Hα-helixtrans-61.1-42177.365.40000111.8A420 K421 N426 T427 I428A420-S424 PolarHBondContact O-N 3.39Å; A420-S424 PolarHBondContact O-OG 2.85Å; K421-S424 PolarHBondContact O-OG 3.08Å; S424-N426 PolarHBondContact O-N 3.19Å; S424-T427 PolarHBondContact O-N 2.96Å; S424-I428 VanDerWaalsContact O-CG1 3.26Å; S424-I428 WeakPolarHBondContact O-CG1 3.4Å; S424-I428 PolarHBondContact O-N 3.33Å
425K91.5Very high89.4Confident130 Ų130109.7 Ų109.757%0.56551%0.512SS*.Hα-helixtrans-60.2-41.1172.7-79.1-176.9174.6-168.20113.1K421 L422 R423 I428 Y429K421-K425 WeakPolarHBondContact O-CB 3.28Å; K421-K425 VanDerWaalsContact O-CG 3.32Å; K421-K425 WeakPolarHBondContact O-CG 3.24Å; K421-K425 PolarHBondContact O-N 3.08Å; K421-K425 VanDerWaalsContact O-N 3.13Å; L422-K425 PolarHBondContact O-N 2.84Å; R423-K425 VanDerWaalsContact C-N 3.32Å; R423-K425 PolarHBondContact O-N 3Å; K425-I428 PolarHBondContact O-N 2.93Å; K425-Y429 WeakPolarHBondContact O-CB 3.41Å; K425-Y429 PolarHBondContact O-N 2.89Å
426N91.2Very high90Very high84 Ų84108.7 Ų108.745%0.44951%0.511SS..Hα-helixtrans-67.4-41.1177.7-168-1.4000111.9L422 R423 S424 I428 Y429 K430L422-N426 WeakPolarHBondContact O-CB 3.43Å; L422-N426 PolarHBondContact O-N 3.27Å; R423-N426 PolarHBondContact O-N 3.28Å; R423-N426 VanDerWaalsContact O-N 3.14Å; S424-N426 PolarHBondContact O-N 3.19Å; N426-I428 PolarHBondContact O-N 3.38Å; N426-Y429 WeakPolarHBondContact O-CB 3.45Å; N426-Y429 PolarHBondContact O-N 3.47Å; N426-K430 WeakPolarHBondContact O-CG 3.24Å; N426-K430 PolarHBondContact O-N 3.39Å
427T92.1Very high90.5Very high93 Ų93106.6 Ų106.657%0.57151%0.51SS*.Hα-helixtrans-60.3-46.6174.2-55.60000111.2R423 S424 Y429 K430 Q431R423-T427 PolarHBondContact O-N 2.96Å; R423-T427 PolarHBondContact O-OG1 3.36Å; R423-T427 VanDerWaalsContact O-OG1 3.11Å; S424-T427 PolarHBondContact O-N 2.96Å; T427-Y429 VanDerWaalsContact C-N 3.31Å; T427-Y429 PolarHBondContact O-N 2.93Å; T427-K430 PolarHBondContact O-N 3.27Å; T427-Q431 PolarHBondContact O-N 2.97Å
428I91.8Very high91Very high95 Ų95103.7 Ų103.749%0.48751%0.505SS..Hα-helixtrans-59.6-43.7176-67.5164.9000110.6S424 K425 N426 Q431 K432S424-I428 VanDerWaalsContact O-CG1 3.26Å; S424-I428 WeakPolarHBondContact O-CG1 3.4Å; S424-I428 PolarHBondContact O-N 3.33Å; K425-I428 PolarHBondContact O-N 2.93Å; N426-I428 PolarHBondContact O-N 3.38Å; I428-Q431 PolarHBondContact O-N 3.07Å; I428-K432 HydrophobicContact CG2-CG 4.41Å; I428-K432 WeakPolarHBondContact O-CB 3.27Å; I428-K432 VanDerWaalsContact O-CG 3.3Å; I428-K432 WeakPolarHBondContact O-CG 3.49Å; I428-K432 PolarHBondContact O-N 3.27Å
429Y92.3Very high91.4Very high137 Ų137103.1 Ų103.154%0.53751%0.509SS..Hα-helixtrans-60.3-46.7177170.7-96.3000112.4K425 N426 T427 K432 R433K425-Y429 WeakPolarHBondContact O-CB 3.41Å; K425-Y429 PolarHBondContact O-N 2.89Å; N426-Y429 WeakPolarHBondContact O-CB 3.45Å; N426-Y429 PolarHBondContact O-N 3.47Å; T427-Y429 VanDerWaalsContact C-N 3.31Å; T427-Y429 PolarHBondContact O-N 2.93Å; Y429-K432 PolarHBondContact O-N 2.85Å; Y429-R433 WeakPolarHBondContact O-CB 3.43Å; Y429-R433 PolarHBondContact O-N 2.96Å
430K93.7Very high91.7Very high133 Ų133110 Ų11058%0.57853%0.531SS*.Hα-helixtrans-62.9-42.8177.9-73.1-177-179.5-175.70112.2N426 T427 R433 A434N426-K430 WeakPolarHBondContact O-CG 3.24Å; N426-K430 PolarHBondContact O-N 3.39Å; T427-K430 PolarHBondContact O-N 3.27Å; K430-R433 PolarHBondContact O-N 3.36Å; K430-A434 PolarHBondContact O-N 3.25Å
431Q92.6Very high91.9Very high110 Ų110110 Ų11051%0.51453%0.531SS..Hα-helixtrans-61.1-45.6176.2-172-178.112.100111.1T427 I428 R433 A434 Q435T427-Q431 PolarHBondContact O-N 2.97Å; I428-Q431 PolarHBondContact O-N 3.07Å; Q431-R433 VanDerWaalsContact C-N 3.31Å; Q431-R433 PolarHBondContact O-N 3.46Å; Q431-A434 PolarHBondContact O-N 2.79Å; Q431-Q435 WeakPolarHBondContact O-CG 3.45Å; Q431-Q435 PolarHBondContact O-N 3.46Å
432K91.7Very high92.1Very high122 Ų122108.9 Ų108.953%0.5353%0.528SS..Hα-helixtrans-64.2-35.9176.9-69.8-69.1169-161.20112.4I428 Y429 L436I428-K432 HydrophobicContact CG2-CG 4.41Å; I428-K432 WeakPolarHBondContact O-CB 3.27Å; I428-K432 VanDerWaalsContact O-CG 3.3Å; I428-K432 WeakPolarHBondContact O-CG 3.49Å; I428-K432 PolarHBondContact O-N 3.27Å; Y429-K432 PolarHBondContact O-N 2.85Å; K432-L436 WeakPolarHBondContact O-CB 3.41Å; K432-L436 PolarHBondContact O-N 3.42Å; K432-L436 VanDerWaalsContact O-N 3.07Å
433R93.1Very high92.1Very high170 Ų170112 Ų11264%0.64254%0.538SS*.Hα-helixtrans-67.2-39.2174.8-168.2177.6123.4169.30.8112.4Y429 K430 Q431 L436 S437Y429-R433 WeakPolarHBondContact O-CB 3.43Å; Y429-R433 PolarHBondContact O-N 2.96Å; K430-R433 PolarHBondContact O-N 3.36Å; Q431-R433 VanDerWaalsContact C-N 3.31Å; Q431-R433 PolarHBondContact O-N 3.46Å; R433-L436 PolarHBondContact O-N 3.47Å; R433-S437 PolarHBondContact O-N 3.16Å; R433-S437 VanDerWaalsContact O-N 3.11Å
434A93.7Very high92.2Very high50 Ų50105.6 Ų105.641%0.41353%0.527SS..Hα-helixtrans-65.6-48.2175.400000111.7K430 Q431 L436 S437 E438K430-A434 PolarHBondContact O-N 3.25Å; Q431-A434 PolarHBondContact O-N 2.79Å; A434-L436 PolarHBondContact O-N 2.93Å; A434-S437 WeakPolarHBondContact O-CA 3.43Å; A434-S437 VanDerWaalsContact O-CB 3.32Å; A434-S437 WeakPolarHBondContact O-CB 3.44Å; A434-S437 PolarHBondContact O-N 3.29Å; A434-E438 PolarHBondContact O-N 3.22Å
435Q92.3Very high92.3Very high71 Ų71108.1 Ų108.133%0.33254%0.535SS..Hα-helixtrans-54.6-41.1174.1-73.2178.2-12.600111.8Q431 S437 E438 L439Q431-Q435 WeakPolarHBondContact O-CG 3.45Å; Q431-Q435 PolarHBondContact O-N 3.46Å; Q435-S437 VanDerWaalsContact C-N 3.31Å; Q435-S437 PolarHBondContact O-N 2.82Å; Q435-E438 PolarHBondContact O-N 2.88Å; Q435-L439 WeakPolarHBondContact O-CB 3.48Å; Q435-L439 VanDerWaalsContact O-CG 3.29Å; Q435-L439 WeakPolarHBondContact O-CG 3.05Å; Q435-L439 PolarHBondContact O-N 3.5Å
436L92Very high92.2Very high90 Ų90107 Ų10747%0.47153%0.534SS..Hα-helixtrans-68.4-31.3178-148.2156.3000112K432 R433 A434 R440K432-L436 WeakPolarHBondContact O-CB 3.41Å; K432-L436 PolarHBondContact O-N 3.42Å; K432-L436 VanDerWaalsContact O-N 3.07Å; R433-L436 PolarHBondContact O-N 3.47Å; A434-L436 PolarHBondContact O-N 2.93Å; L436-R440 HydrophobicContact CD2-CG 4.38Å; L436-R440 VanDerWaalsContact CD2-CZ 3.43Å; L436-R440 VanDerWaalsContact CD2-NE 3.27Å; L436-R440 VanDerWaalsContact O-CG 3.28Å; L436-R440 WeakPolarHBondContact O-CG 3.37Å; L436-R440 PolarHBondContact O-N 3.16Å
437S93.3Very high92.2Very high79 Ų79105.9 Ų105.955%0.55253%0.533SS*.Hα-helixtrans-72-42.6174.7-164.30000112.3R433 A434 Q435 R440 A441R433-S437 PolarHBondContact O-N 3.16Å; R433-S437 VanDerWaalsContact O-N 3.11Å; A434-S437 WeakPolarHBondContact O-CA 3.43Å; A434-S437 VanDerWaalsContact O-CB 3.32Å; A434-S437 WeakPolarHBondContact O-CB 3.44Å; A434-S437 PolarHBondContact O-N 3.29Å; Q435-S437 VanDerWaalsContact C-N 3.31Å; Q435-S437 PolarHBondContact O-N 2.82Å; S437-R440 PolarHBondContact O-N 3.37Å; S437-A441 PolarHBondContact O-N 2.77Å
438E92.7Very high92.1Very high127 Ų127110 Ų11059%0.59354%0.539SS*.Hα-helixtrans-61.3-48.9175.8-74.5169.9-178.300111A434 Q435 R440 A441 E442A434-E438 PolarHBondContact O-N 3.22Å; Q435-E438 PolarHBondContact O-N 2.88Å; E438-R440 PolarHBondContact O-N 3.37Å; E438-A441 WeakPolarHBondContact O-CB 3.36Å; E438-A441 PolarHBondContact O-N 3.32Å; E438-E442 PolarHBondContact O-N 3.36Å
439L91.9Very high92.2Very high115 Ų115108.6 Ų108.660%0.60253%0.534SS*.Hα-helixtrans-59.9-33177-71.3172.3000112.7Q435 K443Q435-L439 WeakPolarHBondContact O-CB 3.48Å; Q435-L439 VanDerWaalsContact O-CG 3.29Å; Q435-L439 WeakPolarHBondContact O-CG 3.05Å; Q435-L439 PolarHBondContact O-N 3.5Å; L439-K443 WeakPolarHBondContact O-CB 3.35Å; L439-K443 PolarHBondContact O-N 3.2Å; L439-K443 VanDerWaalsContact O-N 3.07Å
440R92.1Very high92Very high181 Ų181105.8 Ų105.868%0.68353%0.528SS*.Hα-helixtrans-71.6-38.3174.1-77.9175.8178.91771.6112.2L436 S437 E438 G444L436-R440 HydrophobicContact CD2-CG 4.38Å; L436-R440 VanDerWaalsContact CD2-CZ 3.43Å; L436-R440 VanDerWaalsContact CD2-NE 3.27Å; L436-R440 VanDerWaalsContact O-CG 3.28Å; L436-R440 WeakPolarHBondContact O-CG 3.37Å; L436-R440 PolarHBondContact O-N 3.16Å; S437-R440 PolarHBondContact O-N 3.37Å; E438-R440 PolarHBondContact O-N 3.37Å; R440-G444 PolarHBondContact O-N 3.49Å; R440-G444 VanDerWaalsContact O-N 3.1Å
441A92.4Very high91.8Very high58 Ų58105.1 Ų105.148%0.47953%0.526SS..Hα-helixtrans-67-45.5176.300000111.1S437 E438 K443 G444 I445S437-A441 PolarHBondContact O-N 2.77Å; E438-A441 WeakPolarHBondContact O-CB 3.36Å; E438-A441 PolarHBondContact O-N 3.32Å; A441-K443 VanDerWaalsContact C-N 3.33Å; A441-K443 PolarHBondContact O-N 3.35Å; A441-G444 WeakPolarHBondContact O-CA 3.49Å; A441-G444 PolarHBondContact O-N 3.05Å; A441-I445 WeakPolarHBondContact O-CG1 3.38Å; A441-I445 PolarHBondContact O-N 2.87Å
442E92.9Very high91.7Very high111 Ų111103.8 Ų103.852%0.51952%0.522SS..Hα-helixtrans-58.5-44.9174.5-75-170.9166.800111.4E438 G444 I445 L446E438-E442 PolarHBondContact O-N 3.36Å; E442-G444 PolarHBondContact O-N 3.49Å; E442-I445 PolarHBondContact O-N 2.95Å; E442-L446 WeakPolarHBondContact O-CB 3.35Å; E442-L446 WeakPolarHBondContact O-CD1 3.38Å; E442-L446 PolarHBondContact O-N 2.73Å
443K91.2Very high91.7Very high161 Ų161102.6 Ų102.670%0.752%0.521SS*.Hα-helixtrans-56.9-39.9173.9-176.5-178.7175.9-177.70112L439 A441 S447L439-K443 WeakPolarHBondContact O-CB 3.35Å; L439-K443 PolarHBondContact O-N 3.2Å; L439-K443 VanDerWaalsContact O-N 3.07Å; A441-K443 VanDerWaalsContact C-N 3.33Å; A441-K443 PolarHBondContact O-N 3.35Å; K443-S447 WeakPolarHBondContact O-CB 3.46Å; K443-S447 PolarHBondContact O-N 2.91Å
444G91.5Very high91.5Very high43 Ų43102 Ų10244%0.44352%0.519SS..Hα-helixtrans-66.1-43.5176.500000112.9R440 A441 E442 S447 R448R440-G444 PolarHBondContact O-N 3.49Å; R440-G444 VanDerWaalsContact O-N 3.1Å; A441-G444 WeakPolarHBondContact O-CA 3.49Å; A441-G444 PolarHBondContact O-N 3.05Å; E442-G444 PolarHBondContact O-N 3.49Å; G444-S447 PolarHBondContact O-N 3.16Å; G444-R448 PolarHBondContact O-N 2.82Å; G444-R448 VanDerWaalsContact O-N 3.11Å
445I91.6Very high91.3Very high110 Ų110104.3 Ų104.356%0.56452%0.524SS*.Hα-helixtrans-61.8-51.4175.7-64.3164.4000109.6A441 E442 S447 R448 T449A441-I445 WeakPolarHBondContact O-CG1 3.38Å; A441-I445 PolarHBondContact O-N 2.87Å; E442-I445 PolarHBondContact O-N 2.95Å; I445-S447 VanDerWaalsContact C-N 3.29Å; I445-S447 PolarHBondContact O-N 3.42Å; I445-R448 CarbonylContact O-C 3.57Å; I445-R448 WeakPolarHBondContact O-CA 3.06Å; I445-R448 WeakPolarHBondContact O-CB 3.33Å; I445-R448 PolarHBondContact O-N 3.32Å; I445-T449 PolarHBondContact O-N 3.4Å; I445-T449 PolarHBondContact O-OG1 2.86Å
446L90.7Very high91Very high106 Ų106105.8 Ų105.856%0.55553%0.531SS*.Hα-helixtrans-55.2-42.4177-93.3135.9000112.4E442 R448 T449 I450E442-L446 WeakPolarHBondContact O-CB 3.35Å; E442-L446 WeakPolarHBondContact O-CD1 3.38Å; E442-L446 PolarHBondContact O-N 2.73Å; L446-R448 VanDerWaalsContact C-N 3.33Å; L446-R448 PolarHBondContact O-N 3.42Å; L446-T449 PolarHBondContact O-N 2.85Å; L446-I450 WeakPolarHBondContact O-CB 3.46Å; L446-I450 WeakPolarHBondContact O-CD1 3.41Å; L446-I450 VanDerWaalsContact O-CG1 3.23Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 3.36Å
447S90.9Very high90.6Very high62 Ų62106 Ų10643%0.43453%0.53SS..Hα-helixtrans-60.3-43.9175.7-1640000111.7K443 G444 I445 I450 E451K443-S447 WeakPolarHBondContact O-CB 3.46Å; K443-S447 PolarHBondContact O-N 2.91Å; G444-S447 PolarHBondContact O-N 3.16Å; I445-S447 VanDerWaalsContact C-N 3.29Å; I445-S447 PolarHBondContact O-N 3.42Å; S447-I450 PolarHBondContact O-N 3.42Å; S447-E451 PolarHBondContact O-N 2.75Å; S447-E451 VanDerWaalsContact O-N 3.09Å
448R90.6Very high90.1Very high180 Ų180106.5 Ų106.568%0.67953%0.526SS*.Hα-helixtrans-67.6-39.9176.7-176173-179.5160.50.8112G444 I445 L446 I450 E451 I452G444-R448 PolarHBondContact O-N 2.82Å; G444-R448 VanDerWaalsContact O-N 3.11Å; I445-R448 CarbonylContact O-C 3.57Å; I445-R448 WeakPolarHBondContact O-CA 3.06Å; I445-R448 WeakPolarHBondContact O-CB 3.33Å; I445-R448 PolarHBondContact O-N 3.32Å; L446-R448 VanDerWaalsContact C-N 3.33Å; L446-R448 PolarHBondContact O-N 3.42Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 PolarHBondContact O-N 2.83Å; R448-E451 PolarHBondContact O-N 2.87Å; R448-I452 HydrophobicContact CG-CD1 4.16Å; R448-I452 WeakPolarHBondContact O-CG1 3.32Å; R448-I452 PolarHBondContact O-N 3.49Å
449T92.2Very high89.8Confident64 Ų64106.6 Ų106.639%0.39353%0.526SS..Hα-helixtrans-63.2-41176.4-42.50000110.7I445 L446 E451 I452 L453I445-T449 PolarHBondContact O-N 3.4Å; I445-T449 PolarHBondContact O-OG1 2.86Å; L446-T449 PolarHBondContact O-N 2.85Å; T449-E451 VanDerWaalsContact C-N 3.34Å; T449-E451 PolarHBondContact O-N 3.37Å; T449-I452 PolarHBondContact O-N 2.92Å; T449-L453 HydrophobicContact CG2-CD1 4.21Å; T449-L453 WeakPolarHBondContact O-CB 3.28Å; T449-L453 VanDerWaalsContact O-CG 3.27Å; T449-L453 WeakPolarHBondContact O-CG 3.2Å; T449-L453 PolarHBondContact O-N 3.19Å
450I89.5Confident89.3Confident79 Ų79107.1 Ų107.141%0.40553%0.527SS..Hα-helixtrans-62.4-41.2175.1-71.3165.1000111.2L446 S447 R448 R454L446-I450 WeakPolarHBondContact O-CB 3.46Å; L446-I450 WeakPolarHBondContact O-CD1 3.41Å; L446-I450 VanDerWaalsContact O-CG1 3.23Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 3.36Å; S447-I450 PolarHBondContact O-N 3.42Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 PolarHBondContact O-N 2.83Å; I450-R454 HydrophobicContact CG2-CG 4.47Å; I450-R454 WeakPolarHBondContact O-CB 3.37Å; I450-R454 VanDerWaalsContact O-CG 3.3Å; I450-R454 WeakPolarHBondContact O-CG 3.4Å; I450-R454 PolarHBondContact O-N 3.33Å
451E89.9Confident88.6Confident118 Ų118103.2 Ų103.255%0.55152%0.515SS*.Hα-helixtrans-63.4-43.8175.9-76.6173.4-175.300112.3S447 R448 T449 R454 N455S447-E451 PolarHBondContact O-N 2.75Å; S447-E451 VanDerWaalsContact O-N 3.09Å; R448-E451 PolarHBondContact O-N 2.87Å; T449-E451 VanDerWaalsContact C-N 3.34Å; T449-E451 PolarHBondContact O-N 3.37Å; E451-R454 PolarHBondContact O-N 2.86Å; E451-N455 PolarHBondContact O-N 2.85Å
452I90.4Very high88Confident82 Ų82104.1 Ų104.142%0.42152%0.515SS..Hα-helixtrans-61.5-49.3176.6-66.4165.4000110.4R448 T449 R454 N455 E456R448-I452 HydrophobicContact CG-CD1 4.16Å; R448-I452 WeakPolarHBondContact O-CG1 3.32Å; R448-I452 PolarHBondContact O-N 3.49Å; T449-I452 PolarHBondContact O-N 2.92Å; I452-R454 VanDerWaalsContact C-N 3.31Å; I452-R454 PolarHBondContact O-N 3.49Å; I452-N455 WeakPolarHBondContact O-CB 3.41Å; I452-N455 PolarHBondContact O-N 2.88Å; I452-N455 VanDerWaalsContact O-N 3.09Å; I452-E456 PolarHBondContact O-N 3.36Å
453L89.8Confident87.4Confident97 Ų97102.2 Ų102.251%0.50851%0.514SS..Hα-helixtrans-62.9-36.6-179.8-70.9172.6000112.3T449 N455 E456 E457T449-L453 HydrophobicContact CG2-CD1 4.21Å; T449-L453 WeakPolarHBondContact O-CB 3.28Å; T449-L453 VanDerWaalsContact O-CG 3.27Å; T449-L453 WeakPolarHBondContact O-CG 3.2Å; T449-L453 PolarHBondContact O-N 3.19Å; L453-N455 VanDerWaalsContact C-N 3.34Å; L453-E456 PolarHBondContact O-N 3.28Å; L453-E457 VanDerWaalsContact O-CB 3.29Å; L453-E457 WeakPolarHBondContact O-CB 3.47Å; L453-E457 PolarHBondContact O-N 3.3Å
454R89.6Confident86.3Confident158 Ų15896.3 Ų96.360%0.59649%0.49SS*.Hα-helixtrans-66.8-35.6174.2-78.4177.7175.6-178.6-1.4112.4I450 E451 I452 N458I450-R454 HydrophobicContact CG2-CG 4.47Å; I450-R454 WeakPolarHBondContact O-CB 3.37Å; I450-R454 VanDerWaalsContact O-CG 3.3Å; I450-R454 WeakPolarHBondContact O-CG 3.4Å; I450-R454 PolarHBondContact O-N 3.33Å; E451-R454 PolarHBondContact O-N 2.86Å; I452-R454 VanDerWaalsContact C-N 3.31Å; I452-R454 PolarHBondContact O-N 3.49Å; R454-N458 WeakPolarHBondContact O-CB 3.37Å; R454-N458 PolarHBondContact O-N 3.41Å; R454-N458 PolarHBondContact O-ND2 2.88Å
455N88.9Confident85.2Confident99 Ų9998.9 Ų98.953%0.52949%0.493SS..Hα-helixtrans-67.1-46.2174.9-72.1-10.9000110.9E451 I452 L453 E457 N458 E459E451-N455 PolarHBondContact O-N 2.85Å; I452-N455 WeakPolarHBondContact O-CB 3.41Å; I452-N455 PolarHBondContact O-N 2.88Å; I452-N455 VanDerWaalsContact O-N 3.09Å; L453-N455 VanDerWaalsContact C-N 3.34Å; N455-E457 VanDerWaalsContact C-N 3.33Å; N455-E457 PolarHBondContact O-N 2.8Å; N455-N458 PolarHBondContact O-N 2.89Å; N455-E459 WeakPolarHBondContact O-CG 3.33Å; N455-E459 PolarHBondContact O-N 2.91Å
456E87.3Confident84.4Confident102 Ų10298.6 Ų98.648%0.47749%0.493SS..Hα-helixtrans-61.3-41.1174.8-69.8178.7171.800111.7I452 L453 N458 E459 M460I452-E456 PolarHBondContact O-N 3.36Å; L453-E456 PolarHBondContact O-N 3.28Å; E456-N458 VanDerWaalsContact C-N 3.32Å; E456-N458 PolarHBondContact O-N 3.28Å; E456-E459 PolarHBondContact O-N 3.47Å; E456-M460 WeakPolarHBondContact O-CB 3.44Å; E456-M460 VanDerWaalsContact O-CG 3.31Å; E456-M460 WeakPolarHBondContact O-CG 3.41Å; E456-M460 PolarHBondContact O-N 2.87Å
457E83.7Confident83.4Confident95 Ų9596 Ų9644%0.44449%0.487SS..Hα-helixtrans-60.9-41.1175.5-170.4-171169.900111.5L453 N455 M460 K461L453-E457 VanDerWaalsContact O-CB 3.29Å; L453-E457 WeakPolarHBondContact O-CB 3.47Å; L453-E457 PolarHBondContact O-N 3.3Å; N455-E457 VanDerWaalsContact C-N 3.33Å; N455-E457 PolarHBondContact O-N 2.8Å; E457-M460 PolarHBondContact O-N 2.93Å; E457-K461 HydrophobicContact CG-CD 4.25Å; E457-K461 VanDerWaalsContact O-CB 3.31Å; E457-K461 WeakPolarHBondContact O-CB 3.49Å; E457-K461 VanDerWaalsContact O-CG 3.31Å; E457-K461 WeakPolarHBondContact O-CG 3.42Å; E457-K461 PolarHBondContact O-N 3.18Å; E457-K461 WeakPolarHBondContact OE1-CE 3.48Å; E457-K461 IonicContact OE1-NZ 2.61Å; E457-K461 PolarHBondContact OE1-NZ 3.1Å
458N83.2Confident82.2Confident88 Ų8894.2 Ų94.247%0.47147%0.472SS..Hα-helixtrans-69.5-38177.3-70.9-23.2000112.3R454 N455 E456 K461 T462R454-N458 WeakPolarHBondContact O-CB 3.37Å; R454-N458 PolarHBondContact O-N 3.41Å; R454-N458 PolarHBondContact O-ND2 2.88Å; N455-N458 PolarHBondContact O-N 2.89Å; E456-N458 VanDerWaalsContact C-N 3.32Å; E456-N458 PolarHBondContact O-N 3.28Å; N458-K461 PolarHBondContact O-N 2.79Å; N458-T462 WeakPolarHBondContact O-CB 3.35Å; N458-T462 WeakPolarHBondContact O-CG2 3.39Å; N458-T462 PolarHBondContact O-N 2.82Å; N458-T462 PolarHBondContact O-OG1 3.33Å
459E85.8Confident80.9Confident129 Ų12989.8 Ų89.860%0.60347%0.468SS*.Hα-helixtrans-64.9-41.6174.3-73.7177.8179.700111.6N455 E456 T462 S463N455-E459 WeakPolarHBondContact O-CG 3.33Å; N455-E459 PolarHBondContact O-N 2.91Å; E456-E459 PolarHBondContact O-N 3.47Å; E459-T462 WeakPolarHBondContact CA-OG1 3.3Å; E459-T462 PolarHBondContact O-OG1 3.19Å; E459-S463 WeakPolarHBondContact O-CB 3.31Å; E459-S463 PolarHBondContact O-N 3.27Å; E459-S463 PolarHBondContact O-OG 3.44Å
460M81Confident79.6Confident126 Ų12694.2 Ų94.262%0.62148%0.484SS*.Hα-helixtrans-67.3-43.9175.1-70.7-62-63.500111.3E456 E457 S463 L464E456-M460 WeakPolarHBondContact O-CB 3.44Å; E456-M460 VanDerWaalsContact O-CG 3.31Å; E456-M460 WeakPolarHBondContact O-CG 3.41Å; E456-M460 PolarHBondContact O-N 2.87Å; E457-M460 PolarHBondContact O-N 2.93Å; M460-S463 PolarHBondContact O-N 3.38Å; M460-L464 VanDerWaalsContact O-CB 3.27Å; M460-L464 WeakPolarHBondContact O-CB 3.28Å; M460-L464 PolarHBondContact O-N 3.16Å
461K78Confident77.9Confident99 Ų9997.5 Ų97.543%0.4350%0.498SS..Hα-helixtrans-59-47175.7-83.3173.9168.2166.20112.2E457 N458 S463 L464 D465E457-K461 HydrophobicContact CG-CD 4.25Å; E457-K461 VanDerWaalsContact O-CB 3.31Å; E457-K461 WeakPolarHBondContact O-CB 3.49Å; E457-K461 VanDerWaalsContact O-CG 3.31Å; E457-K461 WeakPolarHBondContact O-CG 3.42Å; E457-K461 PolarHBondContact O-N 3.18Å; E457-K461 WeakPolarHBondContact OE1-CE 3.48Å; E457-K461 IonicContact OE1-NZ 2.61Å; E457-K461 PolarHBondContact OE1-NZ 3.1Å; N458-K461 PolarHBondContact O-N 2.79Å; K461-S463 VanDerWaalsContact C-N 3.35Å; K461-S463 PolarHBondContact O-N 2.84Å; K461-L464 PolarHBondContact O-N 3.25Å; K461-L464 VanDerWaalsContact O-N 3.11Å; K461-D465 VanDerWaalsContact O-CG 3.31Å; K461-D465 PolarHBondContact O-N 2.72Å
462T79Confident76.4Confident77 Ų7795.3 Ų95.347%0.47251%0.507SS..Hα-helixtrans-64.7-37.9177.350.30000112.5N458 E459 L464 N466N458-T462 WeakPolarHBondContact O-CB 3.35Å; N458-T462 WeakPolarHBondContact O-CG2 3.39Å; N458-T462 PolarHBondContact O-N 2.82Å; N458-T462 PolarHBondContact O-OG1 3.33Å; E459-T462 WeakPolarHBondContact CA-OG1 3.3Å; E459-T462 PolarHBondContact O-OG1 3.19Å; T462-L464 VanDerWaalsContact C-N 3.26Å; T462-L464 PolarHBondContact O-N 2.88Å; T462-N466 WeakPolarHBondContact O-CB 3.48Å; T462-N466 PolarHBondContact O-N 3.39Å; T462-N466 VanDerWaalsContact O-N 3.13Å; T462-N466 PolarHBondContact O-ND2 2.98Å; T462-N466 VanDerWaalsContact O-ND2 3.09Å
463S80.7Confident74.5Confident71 Ų7196.2 Ų96.250%0.49751%0.512SS..Hα-helixtrans-63.5-35.1173-60.10000112.1E459 M460 K461 A467E459-S463 WeakPolarHBondContact O-CB 3.31Å; E459-S463 PolarHBondContact O-N 3.27Å; E459-S463 PolarHBondContact O-OG 3.44Å; M460-S463 PolarHBondContact O-N 3.38Å; K461-S463 VanDerWaalsContact C-N 3.35Å; K461-S463 PolarHBondContact O-N 2.84Å; S463-A467 PolarHBondContact O-N 2.9Å
464L68.3Low72.8Confident38 Ų3896.3 Ų96.320%0.19952%0.521CS..Hα-helixtrans-79-40.3-177.5-147.8137.4000112.1M460 K461 T462 N466 A467 E468 W477M460-L464 VanDerWaalsContact O-CB 3.27Å; M460-L464 WeakPolarHBondContact O-CB 3.28Å; M460-L464 PolarHBondContact O-N 3.16Å; K461-L464 PolarHBondContact O-N 3.25Å; K461-L464 VanDerWaalsContact O-N 3.11Å; T462-L464 VanDerWaalsContact C-N 3.26Å; T462-L464 PolarHBondContact O-N 2.88Å; L464-N466 VanDerWaalsContact C-N 3.27Å; L464-N466 PolarHBondContact O-N 3.39Å; L464-A467 PolarHBondContact O-N 2.78Å; L464-E468 HydrophobicContact CD2-CG 4.16Å; L464-E468 WeakPolarHBondContact O-CG 3.46Å; L464-E468 PolarHBondContact O-N 3.4Å; L464-W477 HydrophobicContact CD1-CD2 3.59Å; L464-W477 VanDerWaalsContact CD1-CE2 3.45Å; L464-W477 HydrophobicContact CD1-CE3 3.99Å; L464-W477 HydrophobicContact CD1-CG 4.01Å; L464-W477 HydrophobicContact CD1-CH2 4.13Å; L464-W477 HydrophobicContact CD1-CZ2 3.76Å; L464-W477 HydrophobicContact CD1-CZ3 4.21Å; L464-W477 HydrophobicContact CD2-CB 3.34Å; L464-W477 VanDerWaalsContact CD2-CD1 3.48Å; L464-W477 HydrophobicContact CD2-CD2 3.7Å; L464-W477 HydrophobicContact CD2-CE3 4.33Å; L464-W477 HydrophobicContact CD2-CG 3.22Å; L464-W477 HydrophobicContact CG-CD2 4.25Å; L464-W477 HydrophobicContact CG-CG 4.16Å
465D69.1Low71.3Confident96 Ų9691.8 Ų91.851%0.51351%0.513SS..Hα-helixtrans-58.9-40.1171.2-71.4-19000111.2K461 E468 S469K461-D465 VanDerWaalsContact O-CG 3.31Å; K461-D465 PolarHBondContact O-N 2.72Å; D465-E468 PolarHBondContact O-N 3.32Å; D465-S469 WeakPolarHBondContact O-CB 3.35Å; D465-S469 PolarHBondContact O-N 3.11Å
466N74.2Confident69.7Low105 Ų10593.8 Ų93.856%0.56151%0.514SS*.Hα-helixtrans-63.3-45.2175.2-70.7-25.6000111.5T462 L464 S469 E470T462-N466 WeakPolarHBondContact O-CB 3.48Å; T462-N466 PolarHBondContact O-N 3.39Å; T462-N466 VanDerWaalsContact O-N 3.13Å; T462-N466 PolarHBondContact O-ND2 2.98Å; T462-N466 VanDerWaalsContact O-ND2 3.09Å; L464-N466 VanDerWaalsContact C-N 3.27Å; L464-N466 PolarHBondContact O-N 3.39Å; N466-S469 PolarHBondContact O-N 2.91Å; N466-S469 PolarHBondContact O-OG 3.44Å; N466-E470 PolarHBondContact O-N 2.86Å; N466-E470 VanDerWaalsContact O-N 3.09Å
467A69.2Low68.4Low50 Ų5095.3 Ų95.341%0.41352%0.516SS..Hα-helixtrans-67.2-3817800000112.9S463 L464 S469 E470 H471S463-A467 PolarHBondContact O-N 2.9Å; L464-A467 PolarHBondContact O-N 2.78Å; A467-S469 VanDerWaalsContact C-N 3.32Å; A467-E470 PolarHBondContact O-N 3.17Å; A467-H471 PolarHBondContact O-N 2.88Å
468E65.1Low67.2Low26 Ų2697 Ų9712%0.12152%0.523CS..Hα-helixtrans-64.6-36.7173.2-76.6-158.5155.700111.8L464 D465 H471 G472 I473 S475 Y476 W477L464-E468 HydrophobicContact CD2-CG 4.16Å; L464-E468 WeakPolarHBondContact O-CG 3.46Å; L464-E468 PolarHBondContact O-N 3.4Å; D465-E468 PolarHBondContact O-N 3.32Å; E468-H471 PolarHBondContact O-N 2.92Å; E468-G472 PolarHBondContact O-N 2.92Å; E468-I473 WeakPolarHBondContact CB-O 3.48Å; E468-I473 PolarHBondContact O-N 3.47Å; E468-S475 PolarHBondContact OE2-N 3.05Å; E468-Y476 PolarHBondContact OE1-N 3.33Å; E468-W477 VanDerWaalsContact OE1-CB 3.27Å; E468-W477 WeakPolarHBondContact OE1-CB 3.5Å; E468-W477 PolarHBondContact OE1-N 2.84Å
469S64.2Low65.9Low87 Ų8796.9 Ų96.961%0.60853%0.526SS*.Hα-helixtrans-66.9-35.4175.585.70000112.8D465 N466 A467 H471D465-S469 WeakPolarHBondContact O-CB 3.35Å; D465-S469 PolarHBondContact O-N 3.11Å; N466-S469 PolarHBondContact O-N 2.91Å; N466-S469 PolarHBondContact O-OG 3.44Å; A467-S469 VanDerWaalsContact C-N 3.32Å; S469-H471 VanDerWaalsContact C-N 3.27Å; S469-H471 PolarHBondContact O-N 3.17Å
470E64.9Low64.8Low156 Ų15696.2 Ų96.273%0.72952%0.523SS*.Hα-helixtrans-70.7-22.5177-76.8-173166.300112.9N466 A467N466-E470 PolarHBondContact O-N 2.86Å; N466-E470 VanDerWaalsContact O-N 3.09Å; A467-E470 PolarHBondContact O-N 3.17Å
471H54.4Low63.9Low148 Ų14891.7 Ų91.769%0.68550%0.502SS*.THydrogen-bonded Turntrans-107.27.6-177.8-73.212.8000113.6A467 E468 S469 I473A467-H471 PolarHBondContact O-N 2.88Å; E468-H471 PolarHBondContact O-N 2.92Å; S469-H471 VanDerWaalsContact C-N 3.27Å; S469-H471 PolarHBondContact O-N 3.17Å; H471-I473 WeakPolarHBondContact O-CG1 3.47Å; H471-I473 PolarHBondContact O-N 3.4Å
472G58.6Low63Low73 Ų7391.4 Ų91.475%0.75351%0.506SS*.THydrogen-bonded Turntrans65.417.8173.100000114.2E468E468-G472 PolarHBondContact O-N 2.92Å
473I50.7Low62Low100 Ų10094.1 Ų94.151%0.51352%0.517SS..  trans-128.293.1-176.3-59.4159.5000106.5E468 H471 Y476E468-I473 WeakPolarHBondContact CB-O 3.48Å; E468-I473 PolarHBondContact O-N 3.47Å; H471-I473 WeakPolarHBondContact O-CG1 3.47Å; H471-I473 PolarHBondContact O-N 3.4Å; I473-Y476 HydrophobicContact CG2-CG 4.37Å
474S52.5Low61.2Low100 Ų10092.5 Ų92.570%0.69951%0.511SS*.  trans-85.5138.2174.5174.70000110
475S58Low61Low62 Ų6295.9 Ų95.943%0.43452%0.524SS..SBendtrans79.619.3170.4-41.40000116.7E468 T479E468-S475 PolarHBondContact OE2-N 3.05Å; S475-T479 PolarHBondContact O-OG1 3.48Å
476Y56.7Low60.5Low142 Ų14296.5 Ų96.556%0.55753%0.526SS*.Hα-helixtrans-83.2-33.2177.4-168.1-99.1000112E468 I473 Q480E468-Y476 PolarHBondContact OE1-N 3.33Å; I473-Y476 HydrophobicContact CG2-CG 4.37Å; Y476-Q480 VanDerWaalsContact O-CB 3.26Å; Y476-Q480 WeakPolarHBondContact O-CB 3.22Å; Y476-Q480 PolarHBondContact O-N 3.38Å
477W59Low59.8Low134 Ų13495.4 Ų95.451%0.50853%0.527SS..Hα-helixtrans-69-40179.1-129.387.3000112.8L464 E468 Q480 T481L464-W477 HydrophobicContact CD1-CD2 3.59Å; L464-W477 VanDerWaalsContact CD1-CE2 3.45Å; L464-W477 HydrophobicContact CD1-CE3 3.99Å; L464-W477 HydrophobicContact CD1-CG 4.01Å; L464-W477 HydrophobicContact CD1-CH2 4.13Å; L464-W477 HydrophobicContact CD1-CZ2 3.76Å; L464-W477 HydrophobicContact CD1-CZ3 4.21Å; L464-W477 HydrophobicContact CD2-CB 3.34Å; L464-W477 VanDerWaalsContact CD2-CD1 3.48Å; L464-W477 HydrophobicContact CD2-CD2 3.7Å; L464-W477 HydrophobicContact CD2-CE3 4.33Å; L464-W477 HydrophobicContact CD2-CG 3.22Å; L464-W477 HydrophobicContact CG-CD2 4.25Å; L464-W477 HydrophobicContact CG-CG 4.16Å; E468-W477 VanDerWaalsContact OE1-CB 3.27Å; E468-W477 WeakPolarHBondContact OE1-CB 3.5Å; E468-W477 PolarHBondContact OE1-N 2.84Å; W477-Q480 PolarHBondContact O-N 3.41Å; W477-T481 HydrophobicContact CD2-CG2 4.11Å; W477-T481 HydrophobicContact CE3-CG2 3.46Å; W477-T481 VanDerWaalsContact CE3-CG2 3.46Å; W477-T481 HydrophobicContact CH2-CG2 3.76Å; W477-T481 HydrophobicContact CZ2-CG2 4.36Å; W477-T481 HydrophobicContact CZ3-CG2 3.28Å; W477-T481 WeakPolarHBondContact O-CB 3.44Å; W477-T481 PolarHBondContact O-N 2.99Å; W477-T481 PolarHBondContact O-OG1 3.28Å
478E58Low59.6Low129 Ų12999.9 Ų99.960%0.60354%0.54SS*.Hα-helixtrans-61.8-45.6177.3-76.9-171.8151.200111.4D482E478-D482 VanDerWaalsContact O-CB 3.25Å; E478-D482 WeakPolarHBondContact O-CB 3.31Å; E478-D482 VanDerWaalsContact O-CG 3.23Å; E478-D482 PolarHBondContact O-N 3.12Å
479T57.6Low59.4Low87 Ų87104.9 Ų104.953%0.53456%0.563SS.*Hα-helixtrans-72.8-34.1-179.627.20000113.3S475 L483S475-T479 PolarHBondContact O-OG1 3.48Å; T479-L483 PolarHBondContact O-N 3.48Å
480Q60.9Low59.4Low115 Ų115105.2 Ų105.254%0.53756%0.556SS.*Hα-helixtrans-78-37.7178.9-167.276.66.100112.5Y476 W477 G484Y476-Q480 VanDerWaalsContact O-CB 3.26Å; Y476-Q480 WeakPolarHBondContact O-CB 3.22Å; Y476-Q480 PolarHBondContact O-N 3.38Å; W477-Q480 PolarHBondContact O-N 3.41Å; Q480-G484 PolarHBondContact O-N 3.45Å
481T62.2Low59.5Low30 Ų30101.4 Ų101.418%0.18455%0.547CS..Hα-helixtrans-75.3-30.5175.440.90000113.2W477 K485W477-T481 HydrophobicContact CD2-CG2 4.11Å; W477-T481 HydrophobicContact CE3-CG2 3.46Å; W477-T481 VanDerWaalsContact CE3-CG2 3.46Å; W477-T481 HydrophobicContact CH2-CG2 3.76Å; W477-T481 HydrophobicContact CZ2-CG2 4.36Å; W477-T481 HydrophobicContact CZ3-CG2 3.28Å; W477-T481 WeakPolarHBondContact O-CB 3.44Å; W477-T481 PolarHBondContact O-N 2.99Å; W477-T481 PolarHBondContact O-OG1 3.28Å; T481-K485 WeakPolarHBondContact O-CB 3.4Å; T481-K485 VanDerWaalsContact O-CG 3.24Å; T481-K485 WeakPolarHBondContact O-CG 3.49Å; T481-K485 PolarHBondContact O-N 3.18Å
482D59.6Low60Low94 Ų94100.9 Ų100.950%0.50355%0.546SS..Hα-helixtrans-68.7-43.5173.2-75.5-13.7000111.2E478 I486E478-D482 VanDerWaalsContact O-CB 3.25Å; E478-D482 WeakPolarHBondContact O-CB 3.31Å; E478-D482 VanDerWaalsContact O-CG 3.23Å; E478-D482 PolarHBondContact O-N 3.12Å; D482-I486 HydrophobicContact CB-CD1 4.41Å; D482-I486 WeakPolarHBondContact O-CB 3.45Å; D482-I486 WeakPolarHBondContact O-CD1 3.49Å; D482-I486 WeakPolarHBondContact O-CG1 3.39Å; D482-I486 PolarHBondContact O-N 3.42Å; D482-I486 VanDerWaalsContact O-N 3.09Å
483L58.3Low60.2Low133 Ų133101.2 Ų101.270%0.69653%0.53SS*.Hα-helixtrans-69.1-36.8176.5-104.690.4000113.5T479 S487T479-L483 PolarHBondContact O-N 3.48Å; L483-S487 WeakPolarHBondContact O-CB 3.33Å; L483-S487 PolarHBondContact O-N 2.87Å
484G64.7Low61Low37 Ų37101 Ų10138%0.38153%0.53SS..Hα-helixtrans-73.5-47.8179.500000113.3Q480 S487 E488Q480-G484 PolarHBondContact O-N 3.45Å; G484-S487 PolarHBondContact O-N 2.8Å; G484-E488 WeakPolarHBondContact O-CB 3.33Å; G484-E488 PolarHBondContact O-N 2.95Å; G484-E488 VanDerWaalsContact O-N 3.11Å
485K63.6Low61.8Low109 Ų109103.2 Ų103.247%0.47453%0.529SS..Hα-helixtrans-67.6-37.9178.6-69.8172.8-179168.30111.3T481 Q489T481-K485 WeakPolarHBondContact O-CB 3.4Å; T481-K485 VanDerWaalsContact O-CG 3.24Å; T481-K485 WeakPolarHBondContact O-CG 3.49Å; T481-K485 PolarHBondContact O-N 3.18Å; K485-Q489 WeakPolarHBondContact O-CA 3.38Å; K485-Q489 WeakPolarHBondContact O-CB 3.27Å; K485-Q489 WeakPolarHBondContact O-CG 3.42Å; K485-Q489 PolarHBondContact O-N 3.39Å
486I57.1Low62.1Low109 Ų109106.9 Ų106.956%0.55954%0.539SS*.Hα-helixtrans-68.6-38.3179.9-66.2169.4000111D482 M490D482-I486 HydrophobicContact CB-CD1 4.41Å; D482-I486 WeakPolarHBondContact O-CB 3.45Å; D482-I486 WeakPolarHBondContact O-CD1 3.49Å; D482-I486 WeakPolarHBondContact O-CG1 3.39Å; D482-I486 PolarHBondContact O-N 3.42Å; D482-I486 VanDerWaalsContact O-N 3.09Å; I486-M490 WeakPolarHBondContact O-CB 3.47Å; I486-M490 VanDerWaalsContact O-CG 3.3Å; I486-M490 WeakPolarHBondContact O-CG 3.05Å; I486-M490 PolarHBondContact O-N 2.88Å
487S61.1Low62.3Low83 Ų83104.8 Ų104.858%0.5853%0.533SS*.Hα-helixtrans-77.4-42.8-177.2-1580000113.2L483 G484 S491L483-S487 WeakPolarHBondContact O-CB 3.33Å; L483-S487 PolarHBondContact O-N 2.87Å; G484-S487 PolarHBondContact O-N 2.8Å; S487-S491 WeakPolarHBondContact O-CB 3.33Å; S487-S491 PolarHBondContact O-N 3.4Å
488E64.7Low62.8Low144 Ų144100 Ų10067%0.67353%0.525SS*.Hα-helixtrans-80.9-36.4-176.9-144.9168.2-149.100111.9G484 M492G484-E488 WeakPolarHBondContact O-CB 3.33Å; G484-E488 PolarHBondContact O-N 2.95Å; G484-E488 VanDerWaalsContact O-N 3.11Å; E488-M492 PolarHBondContact O-N 3.46Å
489Q61.5Low63.3Low130 Ų13097.2 Ų97.261%0.60752%0.517SS*.Hα-helixtrans-69.4-38.5168-61.1-178.3-2100110.7K485 S491 L493K485-Q489 WeakPolarHBondContact O-CA 3.38Å; K485-Q489 WeakPolarHBondContact O-CB 3.27Å; K485-Q489 WeakPolarHBondContact O-CG 3.42Å; K485-Q489 PolarHBondContact O-N 3.39Å; Q489-S491 PolarHBondContact O-N 2.9Å; Q489-L493 WeakPolarHBondContact O-CA 3.24Å; Q489-L493 WeakPolarHBondContact O-CB 3.48Å; Q489-L493 PolarHBondContact O-N 2.95Å
490M63.2Low63.8Low94 Ų9495.4 Ų95.446%0.46351%0.506SS..Hα-helixtrans-67-36.2175.5-88.4-65.6-174.700113.5I486 N494I486-M490 WeakPolarHBondContact O-CB 3.47Å; I486-M490 VanDerWaalsContact O-CG 3.3Å; I486-M490 WeakPolarHBondContact O-CG 3.05Å; I486-M490 PolarHBondContact O-N 2.88Å; M490-N494 WeakPolarHBondContact O-CA 3.5Å; M490-N494 WeakPolarHBondContact O-CB 3.36Å; M490-N494 PolarHBondContact O-N 2.99Å; M490-N494 PolarHBondContact O-ND2 2.94Å
491S67.1Low64.4Low77 Ų7795 Ų9554%0.53851%0.507SS..Hα-helixtrans-69.1-51-179.5-174.80000111.8S487 Q489 N494 E495S487-S491 WeakPolarHBondContact O-CB 3.33Å; S487-S491 PolarHBondContact O-N 3.4Å; Q489-S491 PolarHBondContact O-N 2.9Å; S491-N494 PolarHBondContact O-N 2.9Å; S491-E495 PolarHBondContact O-N 3.49Å
492M65.4Low65Low136 Ų136100.3 Ų100.367%0.6753%0.53SS*.Hα-helixtrans-71-35.2177.8-70.4-138.5-112.600112.8E488 H496E488-M492 PolarHBondContact O-N 3.46Å; M492-H496 VanDerWaalsContact O-CB 3.31Å; M492-H496 WeakPolarHBondContact O-CB 3.5Å; M492-H496 PolarHBondContact O-N 3.32Å
493L62.6Low65.7Low80 Ų80102.1 Ų102.142%0.41954%0.535SS..Hα-helixtrans-71.1-30.8174.7-162.394.4000111.2Q489 K497Q489-L493 WeakPolarHBondContact O-CA 3.24Å; Q489-L493 WeakPolarHBondContact O-CB 3.48Å; Q489-L493 PolarHBondContact O-N 2.95Å; L493-K497 HydrophobicContact CD2-CD 3.94Å; L493-K497 VanDerWaalsContact CD2-CE 3.42Å; L493-K497 HydrophobicContact CG-CD 3.8Å; L493-K497 HydrophobicContact CG-CG 4.22Å; L493-K497 WeakPolarHBondContact O-CA 3.13Å; L493-K497 WeakPolarHBondContact O-CB 3.24Å; L493-K497 WeakPolarHBondContact O-CD 3.2Å; L493-K497 WeakPolarHBondContact O-CG 3.44Å; L493-K497 PolarHBondContact O-N 2.86Å
494N67Low66.4Low97 Ų97101 Ų10152%0.51953%0.528SS..Hα-helixtrans-76.6-33.9175.7-79.7-22.5000112.9M490 S491 G498M490-N494 WeakPolarHBondContact O-CA 3.5Å; M490-N494 WeakPolarHBondContact O-CB 3.36Å; M490-N494 PolarHBondContact O-N 2.99Å; M490-N494 PolarHBondContact O-ND2 2.94Å; S491-N494 PolarHBondContact O-N 2.9Å; N494-G498 WeakPolarHBondContact O-CA 3.45Å; N494-G498 PolarHBondContact O-N 3.35Å
495E70Confident67Low145 Ų145102 Ų10268%0.67853%0.529SS*.Hα-helixtrans-74.9-41.5176.9-163.7172.6-16700111.4S491 G498 T499S491-E495 PolarHBondContact O-N 3.49Å; E495-G498 PolarHBondContact O-N 3.17Å; E495-T499 PolarHBondContact O-N 3.49Å; E495-T499 VanDerWaalsContact O-N 3.08Å; E495-T499 PolarHBondContact O-OG1 3.26Å
496H63.7Low67.8Low139 Ų139103.7 Ų103.764%0.64454%0.536SS*.Hα-helixtrans-73.8-36.6175-138.467.8000112.2M492 T499 T500M492-H496 VanDerWaalsContact O-CB 3.31Å; M492-H496 WeakPolarHBondContact O-CB 3.5Å; M492-H496 PolarHBondContact O-N 3.32Å; H496-T499 PolarHBondContact O-OG1 3.32Å; H496-T500 WeakPolarHBondContact O-CB 3.36Å; H496-T500 WeakPolarHBondContact O-CG2 3.35Å; H496-T500 PolarHBondContact O-N 3.06Å; H496-T500 PolarHBondContact O-OG1 3.47Å
497K61.7Low68.9Low98 Ų98103.1 Ų103.143%0.42653%0.533SS..Hα-helixtrans-67.6-34.4168.4-75.6174.2173.1177.70111.4L493 T500 L501L493-K497 HydrophobicContact CD2-CD 3.94Å; L493-K497 VanDerWaalsContact CD2-CE 3.42Å; L493-K497 HydrophobicContact CG-CD 3.8Å; L493-K497 HydrophobicContact CG-CG 4.22Å; L493-K497 WeakPolarHBondContact O-CA 3.13Å; L493-K497 WeakPolarHBondContact O-CB 3.24Å; L493-K497 WeakPolarHBondContact O-CD 3.2Å; L493-K497 WeakPolarHBondContact O-CG 3.44Å; L493-K497 PolarHBondContact O-N 2.86Å; K497-T500 WeakPolarHBondContact CA-OG1 3.43Å; K497-L501 HydrophobicContact CB-CD1 3.99Å; K497-L501 WeakPolarHBondContact O-CA 3.49Å; K497-L501 WeakPolarHBondContact O-CB 3.44Å; K497-L501 VanDerWaalsContact O-CD1 3.28Å; K497-L501 WeakPolarHBondContact O-CD1 3.42Å; K497-L501 WeakPolarHBondContact O-CG 3.23Å; K497-L501 PolarHBondContact O-N 3.28Å
498G69.6Low69.8Low33 Ų33103.6 Ų103.634%0.3453%0.528SS..Hα-helixtrans-63.7-51.5179.400000111.9N494 E495 L501 E502N494-G498 WeakPolarHBondContact O-CA 3.45Å; N494-G498 PolarHBondContact O-N 3.35Å; E495-G498 PolarHBondContact O-N 3.17Å; G498-L501 PolarHBondContact O-N 3.46Å; G498-E502 WeakPolarHBondContact O-CB 3.42Å; G498-E502 PolarHBondContact O-N 3.33Å
499T68.5Low70.6Confident72 Ų72102.3 Ų102.344%0.44252%0.522SS..Hα-helixtrans-66.5-44.9178.249.30000112.3E495 H496 E502 E503E495-T499 PolarHBondContact O-N 3.49Å; E495-T499 VanDerWaalsContact O-N 3.08Å; E495-T499 PolarHBondContact O-OG1 3.26Å; H496-T499 PolarHBondContact O-OG1 3.32Å; T499-E502 PolarHBondContact O-N 3.33Å; T499-E503 PolarHBondContact O-N 2.72Å
500T66.8Low71.6Confident48 Ų48101.5 Ų101.529%0.29452%0.519SS..Hα-helixtrans-71.8-31.8176.2580000113.3H496 K497 M504H496-T500 WeakPolarHBondContact O-CB 3.36Å; H496-T500 WeakPolarHBondContact O-CG2 3.35Å; H496-T500 PolarHBondContact O-N 3.06Å; H496-T500 PolarHBondContact O-OG1 3.47Å; K497-T500 WeakPolarHBondContact CA-OG1 3.43Å; T500-M504 WeakPolarHBondContact O-CA 3.45Å; T500-M504 WeakPolarHBondContact O-CB 3.45Å; T500-M504 WeakPolarHBondContact O-CG 3.35Å; T500-M504 PolarHBondContact O-N 3Å
501L73.5Confident72.4Confident107 Ų107101.6 Ų101.656%0.5652%0.52SS*.Hα-helixtrans-71.8-31.1172.1-75.7164000111.3K497 G498 S505K497-L501 HydrophobicContact CB-CD1 3.99Å; K497-L501 WeakPolarHBondContact O-CA 3.49Å; K497-L501 WeakPolarHBondContact O-CB 3.44Å; K497-L501 VanDerWaalsContact O-CD1 3.28Å; K497-L501 WeakPolarHBondContact O-CD1 3.42Å; K497-L501 WeakPolarHBondContact O-CG 3.23Å; K497-L501 PolarHBondContact O-N 3.28Å; G498-L501 PolarHBondContact O-N 3.46Å; L501-S505 VanDerWaalsContact O-CA 3.3Å; L501-S505 WeakPolarHBondContact O-CA 3.35Å; L501-S505 WeakPolarHBondContact O-CB 3.46Å; L501-S505 PolarHBondContact O-N 2.63Å
502E75Confident73.3Confident141 Ų141101.7 Ų101.766%0.65952%0.515SS*.Hα-helixtrans-71.2-41.2173.4-95-178.3147.200112.2G498 T499 S505 K506G498-E502 WeakPolarHBondContact O-CB 3.42Å; G498-E502 PolarHBondContact O-N 3.33Å; T499-E502 PolarHBondContact O-N 3.33Å; E502-S505 PolarHBondContact O-N 3.34Å; E502-K506 WeakPolarHBondContact O-CB 3.4Å; E502-K506 PolarHBondContact O-N 2.86Å
503E73.9Confident74.2Confident133 Ų133100.3 Ų100.362%0.62151%0.51SS*.Hα-helixtrans-68.7-45.8173.7-70.6-174.2170.800111.8T499 S505 K506 I507T499-E503 PolarHBondContact O-N 2.72Å; E503-S505 VanDerWaalsContact C-N 3.34Å; E503-S505 PolarHBondContact O-N 3.34Å; E503-K506 PolarHBondContact O-N 3.5Å; E503-I507 WeakPolarHBondContact O-CB 3.43Å; E503-I507 VanDerWaalsContact O-CG1 3.28Å; E503-I507 WeakPolarHBondContact O-CG1 3.45Å; E503-I507 PolarHBondContact O-N 3.49Å
504M73.5Confident75.3Confident109 Ų109105.3 Ų105.354%0.53752%0.524SS..Hα-helixtrans-65.4-35.9173.5-72.5-172-155.100111.3T500 I507 I508T500-M504 WeakPolarHBondContact O-CA 3.45Å; T500-M504 WeakPolarHBondContact O-CB 3.45Å; T500-M504 WeakPolarHBondContact O-CG 3.35Å; T500-M504 PolarHBondContact O-N 3Å; M504-I507 PolarHBondContact O-N 3.24Å; M504-I508 HydrophobicContact CB-CD1 4.26Å; M504-I508 WeakPolarHBondContact O-CA 3.47Å; M504-I508 WeakPolarHBondContact O-CB 3.35Å; M504-I508 WeakPolarHBondContact O-CD1 3.43Å; M504-I508 WeakPolarHBondContact O-CG1 3.29Å; M504-I508 PolarHBondContact O-N 2.78Å
505S77.9Confident76Confident57 Ų57104.7 Ų104.740%0.39952%0.519SS..Hα-helixtrans-69.4-39.5176.1-174.50000110.7L501 E502 E503 Q509L501-S505 VanDerWaalsContact O-CA 3.3Å; L501-S505 WeakPolarHBondContact O-CA 3.35Å; L501-S505 WeakPolarHBondContact O-CB 3.46Å; L501-S505 PolarHBondContact O-N 2.63Å; E502-S505 PolarHBondContact O-N 3.34Å; E503-S505 VanDerWaalsContact C-N 3.34Å; E503-S505 PolarHBondContact O-N 3.34Å; S505-Q509 WeakPolarHBondContact O-CB 3.41Å; S505-Q509 VanDerWaalsContact O-CG 3.24Å; S505-Q509 WeakPolarHBondContact O-CG 3.19Å; S505-Q509 PolarHBondContact O-N 3.33Å
506K80.7Confident76.7Confident145 Ų145101.7 Ų101.763%0.6351%0.508SS*.Hα-helixtrans-62.4-45.9170.3-89.2177.3178.5167.10111.9E502 E503 Q509 Q510E502-K506 WeakPolarHBondContact O-CB 3.4Å; E502-K506 PolarHBondContact O-N 2.86Å; E503-K506 PolarHBondContact O-N 3.5Å; K506-Q509 PolarHBondContact O-N 3.49Å; K506-Q510 WeakPolarHBondContact O-CB 3.37Å; K506-Q510 VanDerWaalsContact O-CG 3.29Å; K506-Q510 WeakPolarHBondContact O-CG 3.44Å; K506-Q510 PolarHBondContact O-N 3.46Å
507I79.1Confident77.6Confident97 Ų9797.2 Ų97.250%0.49750%0.495SS..Hα-helixtrans-65.5-46.2178-68.2168000110.2E503 M504 Q509 Q510 L511E503-I507 WeakPolarHBondContact O-CB 3.43Å; E503-I507 VanDerWaalsContact O-CG1 3.28Å; E503-I507 WeakPolarHBondContact O-CG1 3.45Å; E503-I507 PolarHBondContact O-N 3.49Å; M504-I507 PolarHBondContact O-N 3.24Å; I507-Q509 PolarHBondContact O-N 2.88Å; I507-Q510 CarbonylContact O-C 3.59Å; I507-Q510 PolarHBondContact O-N 2.93Å; I507-L511 HydrophobicContact CG2-CD1 4.27Å; I507-L511 VanDerWaalsContact O-CB 3.3Å; I507-L511 WeakPolarHBondContact O-CB 3.3Å; I507-L511 PolarHBondContact O-N 3.38Å
508I79.8Confident78.6Confident93 Ų9398.4 Ų98.448%0.47750%0.5SS..Hα-helixtrans-64.4-38.6177.7-70.7164.4000110.5M504 L511 N512M504-I508 HydrophobicContact CB-CD1 4.26Å; M504-I508 WeakPolarHBondContact O-CA 3.47Å; M504-I508 WeakPolarHBondContact O-CB 3.35Å; M504-I508 WeakPolarHBondContact O-CD1 3.43Å; M504-I508 WeakPolarHBondContact O-CG1 3.29Å; M504-I508 PolarHBondContact O-N 2.78Å; I508-L511 PolarHBondContact O-N 3.45Å; I508-N512 WeakPolarHBondContact O-CB 3.44Å; I508-N512 PolarHBondContact O-N 3.37Å
509Q82.2Confident79.3Confident117 Ų117105.4 Ų105.455%0.54752%0.517SS..Hα-helixtrans-64.9-44.4172.2-81.5-178.2-8.200111S505 K506 I507 L511 N512 N513S505-Q509 WeakPolarHBondContact O-CB 3.41Å; S505-Q509 VanDerWaalsContact O-CG 3.24Å; S505-Q509 WeakPolarHBondContact O-CG 3.19Å; S505-Q509 PolarHBondContact O-N 3.33Å; K506-Q509 PolarHBondContact O-N 3.49Å; I507-Q509 PolarHBondContact O-N 2.88Å; Q509-L511 PolarHBondContact O-N 3.15Å; Q509-N512 PolarHBondContact O-N 3.45Å; Q509-N513 WeakPolarHBondContact O-CB 3.26Å; Q509-N513 PolarHBondContact O-N 3.43Å; Q509-N513 PolarHBondContact O-ND2 2.94Å; Q509-N513 PolarHBondContact O-OD1 3.11Å
510Q81.9Confident79.9Confident114 Ų114106.9 Ų106.953%0.53353%0.525SS..Hα-helixtrans-63.4-39.5174.7-73.9179.61.800112.2K506 I507 R514K506-Q510 WeakPolarHBondContact O-CB 3.37Å; K506-Q510 VanDerWaalsContact O-CG 3.29Å; K506-Q510 WeakPolarHBondContact O-CG 3.44Å; K506-Q510 PolarHBondContact O-N 3.46Å; I507-Q510 CarbonylContact O-C 3.59Å; I507-Q510 PolarHBondContact O-N 2.93Å; Q510-R514 WeakPolarHBondContact O-CB 3.43Å; Q510-R514 WeakPolarHBondContact O-CG 3.37Å; Q510-R514 PolarHBondContact O-N 3.29Å
511L81.2Confident80.6Confident95 Ų95110.1 Ų110.150%0.49754%0.537SS..Hα-helixtrans-71.3-43.3178.4-127.2146.7000111I507 I508 Q509 R514 I515I507-L511 HydrophobicContact CG2-CD1 4.27Å; I507-L511 VanDerWaalsContact O-CB 3.3Å; I507-L511 WeakPolarHBondContact O-CB 3.3Å; I507-L511 PolarHBondContact O-N 3.38Å; I508-L511 PolarHBondContact O-N 3.45Å; Q509-L511 PolarHBondContact O-N 3.15Å; L511-R514 PolarHBondContact O-N 2.85Å; L511-I515 HydrophobicContact CD2-CD1 3.56Å; L511-I515 HydrophobicContact CD2-CG1 4.12Å; L511-I515 VanDerWaalsContact O-CB 3.29Å; L511-I515 WeakPolarHBondContact O-CB 3.48Å; L511-I515 WeakPolarHBondContact O-CG1 3.21Å; L511-I515 PolarHBondContact O-N 2.76Å
512N85.7Confident81Confident80 Ų80109 Ų10943%0.42853%0.531SS..Hα-helixtrans-64.1-39.6172.9-90.2-31.3000111.4I508 Q509 I515 N516I508-N512 WeakPolarHBondContact O-CB 3.44Å; I508-N512 PolarHBondContact O-N 3.37Å; Q509-N512 PolarHBondContact O-N 3.45Å; N512-I515 PolarHBondContact O-N 3.39Å; N512-N516 WeakPolarHBondContact O-CB 3.39Å; N512-N516 VanDerWaalsContact O-CG 3.26Å; N512-N516 PolarHBondContact O-N 3.15Å; N512-N516 PolarHBondContact O-ND2 2.91Å
513N84.8Confident81.3Confident107 Ų107104 Ų10457%0.57252%0.515SS*.Hα-helixtrans-65.4-42.4175-71.8-14.9000111.1Q509 A517Q509-N513 WeakPolarHBondContact O-CB 3.26Å; Q509-N513 PolarHBondContact O-N 3.43Å; Q509-N513 PolarHBondContact O-ND2 2.94Å; Q509-N513 PolarHBondContact O-OD1 3.11Å; N513-A517 VanDerWaalsContact O-CB 3.25Å; N513-A517 WeakPolarHBondContact O-CB 3.31Å; N513-A517 PolarHBondContact O-N 2.98Å
514R84.5Confident81.7Confident184 Ų184100.8 Ų100.869%0.69451%0.505SS*.Hα-helixtrans-66.6-41.2174-78.8-179.8179.7161.71.8112.7Q510 L511 A517 K518Q510-R514 WeakPolarHBondContact O-CB 3.43Å; Q510-R514 WeakPolarHBondContact O-CG 3.37Å; Q510-R514 PolarHBondContact O-N 3.29Å; L511-R514 PolarHBondContact O-N 2.85Å; R514-A517 PolarHBondContact O-N 3.42Å; R514-K518 WeakPolarHBondContact O-CB 3.24Å; R514-K518 WeakPolarHBondContact O-CG 3.43Å; R514-K518 PolarHBondContact O-N 2.95Å
515I81.3Confident82Confident84 Ų84100 Ų10043%0.43150%0.502SS..Hα-helixtrans-64.3-46.2176.1-73.8168.1000109.6L511 N512 K518 R519L511-I515 HydrophobicContact CD2-CD1 3.56Å; L511-I515 HydrophobicContact CD2-CG1 4.12Å; L511-I515 VanDerWaalsContact O-CB 3.29Å; L511-I515 WeakPolarHBondContact O-CB 3.48Å; L511-I515 WeakPolarHBondContact O-CG1 3.21Å; L511-I515 PolarHBondContact O-N 2.76Å; N512-I515 PolarHBondContact O-N 3.39Å; I515-K518 PolarHBondContact O-N 2.81Å; I515-R519 WeakPolarHBondContact O-CB 3.1Å; I515-R519 PolarHBondContact O-N 3.49Å
516N84.5Confident82.1Confident82 Ų82101.9 Ų101.944%0.43951%0.507SS..Hα-helixtrans-64.8-42.3178-77.4-23.3000111.5N512 R519 T520N512-N516 WeakPolarHBondContact O-CB 3.39Å; N512-N516 VanDerWaalsContact O-CG 3.26Å; N512-N516 PolarHBondContact O-N 3.15Å; N512-N516 PolarHBondContact O-ND2 2.91Å; N516-R519 PolarHBondContact O-N 2.83Å; N516-T520 PolarHBondContact O-N 3.24Å; N516-T520 PolarHBondContact O-OG1 3.31Å
517A84.2Confident82.2Confident45 Ų45103.6 Ų103.637%0.37251%0.509SS..Hα-helixtrans-62.7-40.7174.300000112.6N513 R514 T520 Q521N513-A517 VanDerWaalsContact O-CB 3.25Å; N513-A517 WeakPolarHBondContact O-CB 3.31Å; N513-A517 PolarHBondContact O-N 2.98Å; R514-A517 PolarHBondContact O-N 3.42Å; A517-T520 WeakPolarHBondContact CA-OG1 3.46Å; A517-T520 PolarHBondContact O-OG1 3.39Å; A517-Q521 WeakPolarHBondContact O-CB 3.34Å; A517-Q521 WeakPolarHBondContact O-CG 3.37Å; A517-Q521 PolarHBondContact O-N 2.83Å
518K82.9Confident82.4Confident124 Ų124105 Ų10554%0.53951%0.514SS..Hα-helixtrans-71.4-33.9174.3-74.9-68.2175.7-163.60112.3R514 I515 Q521 L522R514-K518 WeakPolarHBondContact O-CB 3.24Å; R514-K518 WeakPolarHBondContact O-CG 3.43Å; R514-K518 PolarHBondContact O-N 2.95Å; I515-K518 PolarHBondContact O-N 2.81Å; K518-Q521 VanDerWaalsContact NZ-OE1 3.14Å; K518-Q521 PolarHBondContact O-N 3.34Å; K518-L522 VanDerWaalsContact O-CB 3.23Å; K518-L522 WeakPolarHBondContact O-CB 3.25Å; K518-L522 WeakPolarHBondContact O-CD1 3.36Å; K518-L522 VanDerWaalsContact O-CG 3.24Å; K518-L522 WeakPolarHBondContact O-CG 3.3Å; K518-L522 PolarHBondContact O-N 3.49Å
519R82.9Confident82.6Confident180 Ų180104.2 Ų104.268%0.67951%0.51SS*.Hα-helixtrans-68.1-39.5175.9-168.6176.7-179.8180-0.3111.4I515 N516 A523I515-R519 WeakPolarHBondContact O-CB 3.1Å; I515-R519 PolarHBondContact O-N 3.49Å; N516-R519 PolarHBondContact O-N 2.83Å; R519-A523 VanDerWaalsContact O-CB 3.31Å; R519-A523 WeakPolarHBondContact O-CB 3.28Å; R519-A523 PolarHBondContact O-N 3.41Å
520T82.5Confident82.7Confident102 Ų102107.8 Ų107.863%0.62652%0.518SS*.Hα-helixtrans-69.3-3917345.70000112.2N516 A517 P524N516-T520 PolarHBondContact O-N 3.24Å; N516-T520 PolarHBondContact O-OG1 3.31Å; A517-T520 WeakPolarHBondContact CA-OG1 3.46Å; A517-T520 PolarHBondContact O-OG1 3.39Å; T520-P524 VanDerWaalsContact O-CD 3.23Å; T520-P524 WeakPolarHBondContact O-CD 3.5Å
521Q81.6Confident82.9Confident116 Ų116108.3 Ų108.354%0.54252%0.521SS..Hα-helixtrans-65.6-38.2172.9-75.6178.3-2.600113.1A517 K518 P524A517-Q521 WeakPolarHBondContact O-CB 3.34Å; A517-Q521 WeakPolarHBondContact O-CG 3.37Å; A517-Q521 PolarHBondContact O-N 2.83Å; K518-Q521 VanDerWaalsContact NZ-OE1 3.14Å; K518-Q521 PolarHBondContact O-N 3.34Å; Q521-P524 WeakPolarHBondContact O-CD 3.1Å
522L81.4Confident83Confident83 Ų83109.3 Ų109.344%0.43553%0.526SS..Hα-helixtrans-83-23.5-178.1-73.9166.8000113.5K518 I525 I526K518-L522 VanDerWaalsContact O-CB 3.23Å; K518-L522 WeakPolarHBondContact O-CB 3.25Å; K518-L522 WeakPolarHBondContact O-CD1 3.36Å; K518-L522 VanDerWaalsContact O-CG 3.24Å; K518-L522 WeakPolarHBondContact O-CG 3.3Å; K518-L522 PolarHBondContact O-N 3.49Å; L522-I525 PolarHBondContact O-N 2.9Å; L522-I526 HydrophobicContact CB-CD1 3.9Å; L522-I526 HydrophobicContact CB-CG1 4.42Å; L522-I526 WeakPolarHBondContact O-CB 3.47Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 2.81Å
523A80.1Confident83.1Confident38 Ų38113.9 Ų113.931%0.31454%0.537SS..Hα-helixtrans-53.6-47.2-179.200000114.8R519 R527R519-A523 VanDerWaalsContact O-CB 3.31Å; R519-A523 WeakPolarHBondContact O-CB 3.28Å; R519-A523 PolarHBondContact O-N 3.41Å; A523-R527 WeakPolarHBondContact O-CG 3.32Å; A523-R527 PolarHBondContact O-N 3.27Å; A523-R527 VanDerWaalsContact O-N 3.11Å
524P83.5Confident83.4Confident65 Ų65113.9 Ų113.942%0.42253%0.534SS..Hα-helixtrans-66.4-44.4176.823.4-31.5000112T520 Q521 I526 R527 E528T520-P524 VanDerWaalsContact O-CD 3.23Å; T520-P524 WeakPolarHBondContact O-CD 3.5Å; Q521-P524 WeakPolarHBondContact O-CD 3.1Å; P524-I526 VanDerWaalsContact C-N 3.32Å; P524-I526 PolarHBondContact O-N 3.3Å; P524-R527 WeakPolarHBondContact O-CB 3.35Å; P524-R527 PolarHBondContact O-N 2.99Å; P524-R527 VanDerWaalsContact O-N 3.09Å; P524-E528 PolarHBondContact O-N 3.26Å
525I79.2Confident83.5Confident93 Ų93113.3 Ų113.348%0.47753%0.532SS..Hα-helixtrans-61.9-41.3178.9-57.6174.5000110.6L522 R527 E528 L529L522-I525 PolarHBondContact O-N 2.9Å; I525-R527 VanDerWaalsContact C-N 3.33Å; I525-R527 PolarHBondContact O-N 3.45Å; I525-E528 PolarHBondContact O-N 3.45Å; I525-L529 WeakPolarHBondContact O-CB 3.3Å; I525-L529 PolarHBondContact O-N 3.19Å
526I80.4Confident83.9Confident96 Ų96112 Ų11249%0.49253%0.533SS..Hα-helixtrans-66.1-34.6177.1-69.1168.3000111.3L522 P524 R530L522-I526 HydrophobicContact CB-CD1 3.9Å; L522-I526 HydrophobicContact CB-CG1 4.42Å; L522-I526 WeakPolarHBondContact O-CB 3.47Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 2.81Å; P524-I526 VanDerWaalsContact C-N 3.32Å; P524-I526 PolarHBondContact O-N 3.3Å; I526-R530 WeakPolarHBondContact O-CB 3.36Å; I526-R530 PolarHBondContact O-N 2.91Å
527R82.7Confident84.2Confident180 Ų180115 Ų11568%0.67955%0.545SS*.Hα-helixtrans-67.1-47.6174.6-77-177.6-166154.52.9111.5A523 P524 I525 L529 R530 H531A523-R527 WeakPolarHBondContact O-CG 3.32Å; A523-R527 PolarHBondContact O-N 3.27Å; A523-R527 VanDerWaalsContact O-N 3.11Å; P524-R527 WeakPolarHBondContact O-CB 3.35Å; P524-R527 PolarHBondContact O-N 2.99Å; P524-R527 VanDerWaalsContact O-N 3.09Å; I525-R527 VanDerWaalsContact C-N 3.33Å; I525-R527 PolarHBondContact O-N 3.45Å; R527-L529 VanDerWaalsContact C-N 3.32Å; R527-L529 PolarHBondContact O-N 3.04Å; R527-R530 WeakPolarHBondContact O-CB 3.28Å; R527-R530 PolarHBondContact O-N 2.84Å; R527-H531 PolarHBondContact O-CD2 3.33Å; R527-H531 PolarHBondContact O-N 3.16Å
528E83.1Confident84.5Confident128 Ų128117.6 Ų117.660%0.59855%0.549SS*.Hα-helixtrans-60.5-43.2175.8-71.1176.2-179.500111.4P524 I525 R530 H531 L532P524-E528 PolarHBondContact O-N 3.26Å; I525-E528 PolarHBondContact O-N 3.45Å; E528-R530 VanDerWaalsContact C-N 3.33Å; E528-R530 PolarHBondContact O-N 2.84Å; E528-H531 PolarHBondContact O-N 3.11Å; E528-L532 WeakPolarHBondContact O-CB 3.47Å; E528-L532 WeakPolarHBondContact O-CG 3.29Å; E528-L532 PolarHBondContact O-N 3.13Å
529L83.6Confident84.8Confident75 Ų75117 Ų11739%0.39355%0.551SS.*Hα-helixtrans-69.4-30.4179.6-150.7150.7000111.8I525 R527 R533I525-L529 WeakPolarHBondContact O-CB 3.3Å; I525-L529 PolarHBondContact O-N 3.19Å; R527-L529 VanDerWaalsContact C-N 3.32Å; R527-L529 PolarHBondContact O-N 3.04Å; L529-R533 HydrophobicContact CD2-CG 4.08Å; L529-R533 VanDerWaalsContact CD2-CZ 3.43Å; L529-R533 VanDerWaalsContact O-CB 3.26Å; L529-R533 WeakPolarHBondContact O-CB 3.49Å; L529-R533 VanDerWaalsContact O-CG 3.24Å; L529-R533 WeakPolarHBondContact O-CG 3.5Å; L529-R533 PolarHBondContact O-N 3.36Å
530R84.6Confident85.1Confident192 Ų192110.7 Ų110.773%0.72554%0.535SS*.Hα-helixtrans-65.2-46.8168.8-99.9-174.7173-166.8-2111.6I526 R527 E528 R533 Q534I526-R530 WeakPolarHBondContact O-CB 3.36Å; I526-R530 PolarHBondContact O-N 2.91Å; R527-R530 WeakPolarHBondContact O-CB 3.28Å; R527-R530 PolarHBondContact O-N 2.84Å; E528-R530 VanDerWaalsContact C-N 3.33Å; E528-R530 PolarHBondContact O-N 2.84Å; R530-R533 PolarHBondContact O-N 2.97Å; R530-Q534 WeakPolarHBondContact O-CB 3.27Å; R530-Q534 PolarHBondContact O-N 3.44Å
531H85.7Confident85.6Confident125 Ų125110.8 Ų110.858%0.57953%0.528SS*.Hα-helixtrans-64-42.1177.5-76.3-63.9000112.4R527 E528 Q534 R535R527-H531 PolarHBondContact O-CD2 3.33Å; R527-H531 PolarHBondContact O-N 3.16Å; E528-H531 PolarHBondContact O-N 3.11Å; H531-Q534 PolarHBondContact O-N 2.84Å; H531-R535 PolarHBondContact O-N 3.03Å
532L84.8Confident86Confident116 Ų116109.6 Ų109.661%0.60752%0.524SS*.Hα-helixtrans-66.5-39.9175.9-73.2173.2000112.1E528 Q534 R535 A536E528-L532 WeakPolarHBondContact O-CB 3.47Å; E528-L532 WeakPolarHBondContact O-CG 3.29Å; E528-L532 PolarHBondContact O-N 3.13Å; L532-Q534 VanDerWaalsContact C-N 3.32Å; L532-Q534 PolarHBondContact O-N 3.25Å; L532-R535 PolarHBondContact O-N 2.86Å; L532-A536 VanDerWaalsContact O-CB 3.28Å; L532-A536 WeakPolarHBondContact O-CB 3.45Å; L532-A536 PolarHBondContact O-N 3.35Å
533R87.8Confident86.5Confident176 Ų176108.6 Ų108.666%0.66452%0.517SS*.Hα-helixtrans-63-39.2173.3-80.8-179.6-177.6176.47.3112.1L529 R530 A536 Q537L529-R533 HydrophobicContact CD2-CG 4.08Å; L529-R533 VanDerWaalsContact CD2-CZ 3.43Å; L529-R533 VanDerWaalsContact O-CB 3.26Å; L529-R533 WeakPolarHBondContact O-CB 3.49Å; L529-R533 VanDerWaalsContact O-CG 3.24Å; L529-R533 WeakPolarHBondContact O-CG 3.5Å; L529-R533 PolarHBondContact O-N 3.36Å; R530-R533 PolarHBondContact O-N 2.97Å; R533-A536 PolarHBondContact O-N 3.2Å; R533-Q537 VanDerWaalsContact O-CB 3.31Å; R533-Q537 WeakPolarHBondContact O-CB 3.49Å; R533-Q537 PolarHBondContact O-N 2.88Å
534Q89.6Confident87Confident108 Ų108111.1 Ų111.151%0.50553%0.525SS..Hα-helixtrans-65.3-47.3176.8-171.3172.3-6.400111.2R530 H531 L532 A536 Q537 E538R530-Q534 WeakPolarHBondContact O-CB 3.27Å; R530-Q534 PolarHBondContact O-N 3.44Å; H531-Q534 PolarHBondContact O-N 2.84Å; L532-Q534 VanDerWaalsContact C-N 3.32Å; L532-Q534 PolarHBondContact O-N 3.25Å; Q534-A536 PolarHBondContact O-N 3.01Å; Q534-Q537 PolarHBondContact O-N 3.16Å; Q534-E538 WeakPolarHBondContact O-CG 3.29Å; Q534-E538 PolarHBondContact O-N 3.31Å
535R87.9Confident87.4Confident172 Ų172113 Ų11365%0.64953%0.528SS*.Hα-helixtrans-61.1-40.8173.5-89.6-174.7177.9143.1-0.5113.2H531 L532 Q537 E538 L539H531-R535 PolarHBondContact O-N 3.03Å; L532-R535 PolarHBondContact O-N 2.86Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; R535-Q537 PolarHBondContact O-N 3.08Å; R535-E538 PolarHBondContact O-N 3.31Å; R535-L539 WeakPolarHBondContact O-CB 3.48Å; R535-L539 PolarHBondContact O-N 3.27Å
536A88.6Confident88Confident56 Ų56115.9 Ų115.946%0.46354%0.537SS..Hα-helixtrans-65.6-35.7176.700000111.6L532 R533 Q534 S540L532-A536 VanDerWaalsContact O-CB 3.28Å; L532-A536 WeakPolarHBondContact O-CB 3.45Å; L532-A536 PolarHBondContact O-N 3.35Å; R533-A536 PolarHBondContact O-N 3.2Å; Q534-A536 PolarHBondContact O-N 3.01Å; A536-S540 WeakPolarHBondContact O-CB 3.38Å; A536-S540 PolarHBondContact O-N 2.74Å
537Q90.4Very high88.6Confident145 Ų145115 Ų11568%0.67853%0.529SS*.Hα-helixtrans-68.8-43.1174.6-170.7173.6-6.800111.4R533 Q534 R535 S540 Q541R533-Q537 VanDerWaalsContact O-CB 3.31Å; R533-Q537 WeakPolarHBondContact O-CB 3.49Å; R533-Q537 PolarHBondContact O-N 2.88Å; Q534-Q537 PolarHBondContact O-N 3.16Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; R535-Q537 PolarHBondContact O-N 3.08Å; Q537-S540 PolarHBondContact O-N 3.15Å; Q537-Q541 WeakPolarHBondContact O-CB 3.27Å; Q537-Q541 PolarHBondContact O-N 2.79Å
538E91.3Very high89Confident100 Ų100109.7 Ų109.747%0.46752%0.52SS..Hα-helixtrans-61.7-47.7174-72.1167.2-170.200111.7Q534 R535 S540 Q541 I542Q534-E538 WeakPolarHBondContact O-CG 3.29Å; Q534-E538 PolarHBondContact O-N 3.31Å; R535-E538 PolarHBondContact O-N 3.31Å; E538-S540 PolarHBondContact O-N 3.15Å; E538-Q541 WeakPolarHBondContact O-CB 3.38Å; E538-Q541 PolarHBondContact O-N 2.92Å; E538-I542 WeakPolarHBondContact O-CG1 3.29Å; E538-I542 PolarHBondContact O-N 3.38Å
539L89.2Confident89.4Confident110 Ų110106.4 Ų106.458%0.57652%0.515SS*.Hα-helixtrans-63.5-39.3176-83.4163.6000112.4R535 Q541 I542 H543R535-L539 WeakPolarHBondContact O-CB 3.48Å; R535-L539 PolarHBondContact O-N 3.27Å; L539-Q541 VanDerWaalsContact C-N 3.33Å; L539-I542 PolarHBondContact O-N 3.29Å; L539-H543 VanDerWaalsContact O-CB 3.3Å; L539-H543 WeakPolarHBondContact O-CB 3.5Å; L539-H543 PolarHBondContact O-N 3.32Å
540S90Very high89.8Confident48 Ų48110.2 Ų110.234%0.33653%0.525SS..Hα-helixtrans-65.5-37.9175.5-173.50000111.6A536 Q537 E538 H543 I544A536-S540 WeakPolarHBondContact O-CB 3.38Å; A536-S540 PolarHBondContact O-N 2.74Å; Q537-S540 PolarHBondContact O-N 3.15Å; E538-S540 PolarHBondContact O-N 3.15Å; S540-H543 PolarHBondContact O-N 3.48Å; S540-I544 WeakPolarHBondContact O-CD1 3.44Å; S540-I544 VanDerWaalsContact O-CG1 3.23Å; S540-I544 WeakPolarHBondContact O-CG1 3.38Å; S540-I544 PolarHBondContact O-N 3.23Å
541Q91.3Very high90.1Very high104 Ų104104.8 Ų104.849%0.48651%0.511SS..Hα-helixtrans-65.6-47.4176.3-170.865.528.200110.7Q537 E538 L539 H543 I544 E545Q537-Q541 WeakPolarHBondContact O-CB 3.27Å; Q537-Q541 PolarHBondContact O-N 2.79Å; E538-Q541 WeakPolarHBondContact O-CB 3.38Å; E538-Q541 PolarHBondContact O-N 2.92Å; L539-Q541 VanDerWaalsContact C-N 3.33Å; Q541-H543 VanDerWaalsContact C-N 3.31Å; Q541-H543 PolarHBondContact O-N 3.05Å; Q541-I544 PolarHBondContact O-N 3.27Å; Q541-E545 PolarHBondContact NE2-OE1 2.87Å; Q541-E545 WeakPolarHBondContact O-CG 3.4Å; Q541-E545 PolarHBondContact O-N 2.99Å
542I91.2Very high90.3Very high91 Ų91102 Ų10247%0.46751%0.509SS..Hα-helixtrans-60.4-41.7175.4-66.2165.8000110.9E538 L539 E545 K546E538-I542 WeakPolarHBondContact O-CG1 3.29Å; E538-I542 PolarHBondContact O-N 3.38Å; L539-I542 PolarHBondContact O-N 3.29Å; I542-E545 PolarHBondContact O-N 3.36Å; I542-K546 HydrophobicContact CG2-CG 4.19Å; I542-K546 WeakPolarHBondContact O-CB 3.39Å; I542-K546 WeakPolarHBondContact O-CG 3.28Å; I542-K546 PolarHBondContact O-N 3.35Å
543H90.8Very high90.6Very high62 Ų62101.3 Ų101.329%0.28751%0.505SS..Hα-helixtrans-63-43.5177.1178.6-91000111.7N402 L539 S540 Q541 E545 K546 K547N402-H543 PolarHBondContact OD1-CE1 2.84Å; N402-H543 PolarHBondContact OD1-NE2 3.36Å; L539-H543 VanDerWaalsContact O-CB 3.3Å; L539-H543 WeakPolarHBondContact O-CB 3.5Å; L539-H543 PolarHBondContact O-N 3.32Å; S540-H543 PolarHBondContact O-N 3.48Å; Q541-H543 VanDerWaalsContact C-N 3.31Å; Q541-H543 PolarHBondContact O-N 3.05Å; H543-E545 VanDerWaalsContact C-N 3.34Å; H543-E545 PolarHBondContact O-N 3.32Å; H543-K546 PolarHBondContact O-N 3.34Å; H543-K547 WeakPolarHBondContact O-CB 3.47Å; H543-K547 PolarHBondContact O-N 3.31Å
544I91.1Very high90.6Very high92 Ų9294.6 Ų94.647%0.47248%0.484SS..Hα-helixtrans-62.7-42.1176.6-69.9164.2000110.7S540 Q541 S548S540-I544 WeakPolarHBondContact O-CD1 3.44Å; S540-I544 VanDerWaalsContact O-CG1 3.23Å; S540-I544 WeakPolarHBondContact O-CG1 3.38Å; S540-I544 PolarHBondContact O-N 3.23Å; Q541-I544 PolarHBondContact O-N 3.27Å; I544-S548 WeakPolarHBondContact O-CB 3.33Å; I544-S548 PolarHBondContact O-N 2.83Å; I544-S548 PolarHBondContact O-OG 3.13Å
545E91.8Very high90.5Very high104 Ų10492 Ų9249%0.48648%0.482SS..Hα-helixtrans-67.7-42.3177.9-72.5171.2-166.700112.8Q541 I542 H543 S548 A549Q541-E545 PolarHBondContact NE2-OE1 2.87Å; Q541-E545 WeakPolarHBondContact O-CG 3.4Å; Q541-E545 PolarHBondContact O-N 2.99Å; I542-E545 PolarHBondContact O-N 3.36Å; H543-E545 VanDerWaalsContact C-N 3.34Å; H543-E545 PolarHBondContact O-N 3.32Å; E545-S548 PolarHBondContact O-OG 2.89Å; E545-A549 WeakPolarHBondContact O-CB 3.43Å; E545-A549 PolarHBondContact O-N 3.36Å
546K91.5Very high90.6Very high153 Ų15385.2 Ų85.267%0.66547%0.465SS*.Hα-helixtrans-70-37.2176.4-70.4-64.7-177.8-174.90111.9I542 H543 A549 Y550I542-K546 HydrophobicContact CG2-CG 4.19Å; I542-K546 WeakPolarHBondContact O-CB 3.39Å; I542-K546 WeakPolarHBondContact O-CG 3.28Å; I542-K546 PolarHBondContact O-N 3.35Å; H543-K546 PolarHBondContact O-N 3.34Å; K546-A549 PolarHBondContact O-N 3.32Å; K546-Y550 WeakPolarHBondContact O-CB 3.25Å; K546-Y550 PolarHBondContact O-N 3.4Å
547K92.8Very high90.6Very high77 Ų7788.4 Ų88.434%0.33547%0.47SS..Hα-helixtrans-65.9-45.5174.6-175.5172.2-179.2176.30111.1H543 A549 Y550 D551H543-K547 WeakPolarHBondContact O-CB 3.47Å; H543-K547 PolarHBondContact O-N 3.31Å; K547-A549 VanDerWaalsContact C-N 3.32Å; K547-A549 PolarHBondContact O-N 2.99Å; K547-Y550 PolarHBondContact O-N 3Å; K547-D551 WeakPolarHBondContact O-CB 3.21Å; K547-D551 PolarHBondContact O-N 3.39Å
548S91.8Very high90.6Very high70 Ų7087.2 Ų87.249%0.4946%0.464SS..Hα-helixtrans-63.4-37.917771.20000112.3I544 E545 A552I544-S548 WeakPolarHBondContact O-CB 3.33Å; I544-S548 PolarHBondContact O-N 2.83Å; I544-S548 PolarHBondContact O-OG 3.13Å; E545-S548 PolarHBondContact O-OG 2.89Å; S548-A552 VanDerWaalsContact O-CB 3.24Å; S548-A552 WeakPolarHBondContact O-CB 3.1Å; S548-A552 PolarHBondContact O-N 3.1Å
549A91.3Very high90.5Very high59 Ų5985.8 Ų85.849%0.48847%0.465SS..Hα-helixtrans-65.6-40.5173.600000112.6E545 K546 K547 L553E545-A549 WeakPolarHBondContact O-CB 3.43Å; E545-A549 PolarHBondContact O-N 3.36Å; K546-A549 PolarHBondContact O-N 3.32Å; K547-A549 VanDerWaalsContact C-N 3.32Å; K547-A549 PolarHBondContact O-N 2.99Å; A549-L553 WeakPolarHBondContact O-CB 3.24Å; A549-L553 PolarHBondContact O-N 3.17Å
550Y92.3Very high90.6Very high154 Ų15485.6 Ų85.660%0.60446%0.462SS*.Hα-helixtrans-66.9-46175.9177.3-95.3000111.9K546 K547 A552 L553 T554K546-Y550 WeakPolarHBondContact O-CB 3.25Å; K546-Y550 PolarHBondContact O-N 3.4Å; K547-Y550 PolarHBondContact O-N 3Å; Y550-A552 VanDerWaalsContact C-N 3.31Å; Y550-A552 PolarHBondContact O-N 3.32Å; Y550-L553 PolarHBondContact O-N 3.05Å; Y550-T554 WeakPolarHBondContact CE1-OG1 3.35Å; Y550-T554 WeakPolarHBondContact O-CB 3.4Å; Y550-T554 PolarHBondContact O-N 2.91Å; Y550-T554 PolarHBondContact O-OG1 2.78Å
551D91.4Very high90.6Very high79 Ų7986 Ų8642%0.42247%0.465SS..Hα-helixtrans-63-39.6178.7-67.4-15.1000110.4K547 T554 A555K547-D551 WeakPolarHBondContact O-CB 3.21Å; K547-D551 PolarHBondContact O-N 3.39Å; D551-T554 PolarHBondContact O-N 3.16Å; D551-A555 VanDerWaalsContact O-CB 3.29Å; D551-A555 WeakPolarHBondContact O-CB 3.41Å; D551-A555 PolarHBondContact O-N 3.42Å
552A89.9Confident90.6Very high67 Ų6785.5 Ų85.555%0.55446%0.464SS*.Hα-helixtrans-65.4-41.6174.600000112.9S548 Y550 G556S548-A552 VanDerWaalsContact O-CB 3.24Å; S548-A552 WeakPolarHBondContact O-CB 3.1Å; S548-A552 PolarHBondContact O-N 3.1Å; Y550-A552 VanDerWaalsContact C-N 3.31Å; Y550-A552 PolarHBondContact O-N 3.32Å; A552-G556 PolarHBondContact O-N 3.41Å
553L90Very high90.6Very high100 Ų10087.7 Ų87.752%0.52447%0.467SS..Hα-helixtrans-68.9-40.3177.5-170.6145000111.5A549 Y550 G556 Q557A549-L553 WeakPolarHBondContact O-CB 3.24Å; A549-L553 PolarHBondContact O-N 3.17Å; Y550-L553 PolarHBondContact O-N 3.05Å; L553-G556 PolarHBondContact O-N 3.46Å; L553-Q557 HydrophobicContact CD2-CG 4.2Å; L553-Q557 WeakPolarHBondContact O-CG 3.41Å; L553-Q557 PolarHBondContact O-N 3.29Å
554T88.6Confident90.7Very high35 Ų3589.2 Ų89.222%0.21548%0.476CS..Hα-helixtrans-64.6-48.8177.7-53.90000110.5Y550 D551 G556 Q557 E558Y550-T554 WeakPolarHBondContact CE1-OG1 3.35Å; Y550-T554 WeakPolarHBondContact O-CB 3.4Å; Y550-T554 PolarHBondContact O-N 2.91Å; Y550-T554 PolarHBondContact O-OG1 2.78Å; D551-T554 PolarHBondContact O-N 3.16Å; T554-G556 VanDerWaalsContact C-N 3.28Å; T554-G556 PolarHBondContact O-N 3.19Å; T554-Q557 PolarHBondContact O-N 2.7Å; T554-Q557 VanDerWaalsContact O-N 3.14Å; T554-E558 WeakPolarHBondContact O-CB 3.24Å; T554-E558 WeakPolarHBondContact O-CG 3.47Å; T554-E558 PolarHBondContact O-N 2.99Å
555A88.1Confident90.7Very high55 Ų5589.6 Ų89.646%0.45548%0.476SS..Hα-helixtrans-60.3-38174.600000112.2D551 S559D551-A555 VanDerWaalsContact O-CB 3.29Å; D551-A555 WeakPolarHBondContact O-CB 3.41Å; D551-A555 PolarHBondContact O-N 3.42Å; A555-S559 WeakPolarHBondContact O-CB 3.42Å; A555-S559 PolarHBondContact O-N 3.38Å; A555-S559 PolarHBondContact O-OG 2.93Å
556G90.1Very high90.7Very high28 Ų2890.3 Ų90.329%0.28948%0.48SS..Hα-helixtrans-61.2-46.6173.300000112.6A552 L553 T554 S559 Q560A552-G556 PolarHBondContact O-N 3.41Å; L553-G556 PolarHBondContact O-N 3.46Å; T554-G556 VanDerWaalsContact C-N 3.28Å; T554-G556 PolarHBondContact O-N 3.19Å; G556-S559 PolarHBondContact O-N 3.27Å; G556-S559 PolarHBondContact O-OG 2.94Å; G556-Q560 WeakPolarHBondContact O-CG 3.2Å; G556-Q560 PolarHBondContact O-N 2.99Å; G556-Q560 VanDerWaalsContact O-N 3.11Å
557Q88.5Confident90.7Very high124 Ų12487.3 Ų87.358%0.57947%0.468SS*.Hα-helixtrans-68.8-40.5177.9-73.8-169.9-11.800112.7L553 T554 S559 Q560 S561L553-Q557 HydrophobicContact CD2-CG 4.2Å; L553-Q557 WeakPolarHBondContact O-CG 3.41Å; L553-Q557 PolarHBondContact O-N 3.29Å; T554-Q557 PolarHBondContact O-N 2.7Å; T554-Q557 VanDerWaalsContact O-N 3.14Å; Q557-S559 VanDerWaalsContact C-N 3.33Å; Q557-S559 PolarHBondContact O-N 3.5Å; Q557-Q560 PolarHBondContact O-N 2.79Å; Q557-S561 WeakPolarHBondContact O-CB 3.49Å; Q557-S561 PolarHBondContact O-N 2.91Å
558E89.4Confident90.7Very high119 Ų11987 Ų8756%0.55647%0.472SS*.Hα-helixtrans-60.1-43.6174.1-74.9179173.300111T554 Q560 S561 I562T554-E558 WeakPolarHBondContact O-CB 3.24Å; T554-E558 WeakPolarHBondContact O-CG 3.47Å; T554-E558 PolarHBondContact O-N 2.99Å; E558-Q560 VanDerWaalsContact C-N 3.35Å; E558-Q560 PolarHBondContact O-N 3.42Å; E558-S561 PolarHBondContact O-N 3.44Å; E558-I562 VanDerWaalsContact O-CG1 3.29Å; E558-I562 WeakPolarHBondContact O-CG1 3.49Å; E558-I562 PolarHBondContact O-N 3.3Å
559S89.6Confident90.8Very high70 Ų7091.2 Ų91.249%0.4948%0.477SS..Hα-helixtrans-62.6-39.7176.778.10000112.8A555 G556 Q557 R563A555-S559 WeakPolarHBondContact O-CB 3.42Å; A555-S559 PolarHBondContact O-N 3.38Å; A555-S559 PolarHBondContact O-OG 2.93Å; G556-S559 PolarHBondContact O-N 3.27Å; G556-S559 PolarHBondContact O-OG 2.94Å; Q557-S559 VanDerWaalsContact C-N 3.33Å; Q557-S559 PolarHBondContact O-N 3.5Å; S559-R563 WeakPolarHBondContact O-CB 3.47Å; S559-R563 PolarHBondContact O-N 3.4Å
560Q91.5Very high90.8Very high106 Ų10692.3 Ų92.350%0.49548%0.478SS..Hα-helixtrans-69.4-39.7176.3-71.9-178.48.700111.6G556 Q557 E558 R563 L564G556-Q560 WeakPolarHBondContact O-CG 3.2Å; G556-Q560 PolarHBondContact O-N 2.99Å; G556-Q560 VanDerWaalsContact O-N 3.11Å; Q557-Q560 PolarHBondContact O-N 2.79Å; E558-Q560 VanDerWaalsContact C-N 3.35Å; E558-Q560 PolarHBondContact O-N 3.42Å; Q560-R563 PolarHBondContact O-N 2.83Å; Q560-L564 WeakPolarHBondContact O-CB 3.44Å; Q560-L564 WeakPolarHBondContact O-CG 3.16Å; Q560-L564 PolarHBondContact O-N 3.4Å
561S88.6Confident90.8Very high57 Ų5790.4 Ų90.440%0.39948%0.477SS..Hα-helixtrans-61.2-47.5175.6-166.30000110.8Q557 E558 R563 L564 E565Q557-S561 WeakPolarHBondContact O-CB 3.49Å; Q557-S561 PolarHBondContact O-N 2.91Å; E558-S561 PolarHBondContact O-N 3.44Å; S561-R563 PolarHBondContact O-N 2.66Å; S561-L564 PolarHBondContact O-N 2.96Å; S561-E565 WeakPolarHBondContact O-CB 3.12Å; S561-E565 WeakPolarHBondContact O-CG 3.29Å; S561-E565 PolarHBondContact O-N 3.12Å
562I91.5Very high90.9Very high93 Ų9394.5 Ų94.548%0.47749%0.487SS..Hα-helixtrans-62.7-41.9177.9-66.8165.7000111E558 E565 Q566E558-I562 VanDerWaalsContact O-CG1 3.29Å; E558-I562 WeakPolarHBondContact O-CG1 3.49Å; E558-I562 PolarHBondContact O-N 3.3Å; I562-E565 PolarHBondContact O-N 3.16Å; I562-Q566 WeakPolarHBondContact O-CG 3.35Å; I562-Q566 PolarHBondContact O-N 2.94Å
563R92.8Very high91Very high138 Ų13897.2 Ų97.252%0.52149%0.488SS..Hα-helixtrans-62.6-46176.7-170.6-179.269.5-152.8-3111.7S559 Q560 S561 E565 Q566 E567S559-R563 WeakPolarHBondContact O-CB 3.47Å; S559-R563 PolarHBondContact O-N 3.4Å; Q560-R563 PolarHBondContact O-N 2.83Å; S561-R563 PolarHBondContact O-N 2.66Å; R563-E565 VanDerWaalsContact C-N 3.34Å; R563-E565 PolarHBondContact O-N 3.03Å; R563-Q566 PolarHBondContact O-N 2.95Å; R563-E567 IonicContact NE-OE1 2.55Å; R563-E567 WeakPolarHBondContact O-CG 3.5Å; R563-E567 PolarHBondContact O-N 2.91Å
564L91.7Very high91.1Very high94 Ų9495 Ų9549%0.49248%0.484SS..Hα-helixtrans-64.8-38.1176.9-74172000111.9Q560 S561 Q566 E567 V568Q560-L564 WeakPolarHBondContact O-CB 3.44Å; Q560-L564 WeakPolarHBondContact O-CG 3.16Å; Q560-L564 PolarHBondContact O-N 3.4Å; S561-L564 PolarHBondContact O-N 2.96Å; L564-Q566 VanDerWaalsContact C-N 3.35Å; L564-E567 PolarHBondContact O-N 3.47Å; L564-V568 WeakPolarHBondContact O-CB 3.26Å; L564-V568 VanDerWaalsContact O-CG2 3.24Å; L564-V568 WeakPolarHBondContact O-CG2 3.37Å; L564-V568 PolarHBondContact O-N 3.33Å
565E92Very high91.2Very high99 Ų9997.8 Ų97.846%0.46350%0.495SS..Hα-helixtrans-63.8-39.8173.8-78.1-176.7-161.900112.2S561 I562 R563 V568 R569S561-E565 WeakPolarHBondContact O-CB 3.12Å; S561-E565 WeakPolarHBondContact O-CG 3.29Å; S561-E565 PolarHBondContact O-N 3.12Å; I562-E565 PolarHBondContact O-N 3.16Å; R563-E565 VanDerWaalsContact C-N 3.34Å; R563-E565 PolarHBondContact O-N 3.03Å; E565-V568 PolarHBondContact O-N 3.35Å; E565-R569 WeakPolarHBondContact O-CB 3.37Å; E565-R569 VanDerWaalsContact O-CG 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.44Å; E565-R569 PolarHBondContact O-N 3.03Å
566Q91.9Very high91.4Very high120 Ų120101.9 Ų101.956%0.56150%0.502SS*.Hα-helixtrans-65.5-45174.6-74176-500111.5I562 R563 L564 V568 R569 T570I562-Q566 WeakPolarHBondContact O-CG 3.35Å; I562-Q566 PolarHBondContact O-N 2.94Å; R563-Q566 PolarHBondContact O-N 2.95Å; L564-Q566 VanDerWaalsContact C-N 3.35Å; Q566-V568 VanDerWaalsContact C-N 3.34Å; Q566-V568 PolarHBondContact O-N 3.28Å; Q566-R569 PolarHBondContact O-N 3.17Å; Q566-T570 WeakPolarHBondContact O-CG2 3.39Å; Q566-T570 PolarHBondContact O-N 3.43Å; Q566-T570 PolarHBondContact O-OG1 3.32Å
567E91.5Very high91.5Very high90 Ų90105.1 Ų105.142%0.42151%0.513SS..Hα-helixtrans-60.4-41.2174.8-73.5173.2-162.600112R563 L564 R569 T570 I571R563-E567 IonicContact NE-OE1 2.55Å; R563-E567 WeakPolarHBondContact O-CG 3.5Å; R563-E567 PolarHBondContact O-N 2.91Å; L564-E567 PolarHBondContact O-N 3.47Å; E567-R569 VanDerWaalsContact C-N 3.34Å; E567-R569 PolarHBondContact O-N 3.4Å; E567-T570 PolarHBondContact O-N 3.26Å; E567-T570 PolarHBondContact O-OG1 2.85Å; E567-I571 WeakPolarHBondContact O-CB 3.47Å; E567-I571 VanDerWaalsContact O-CG1 3.24Å; E567-I571 WeakPolarHBondContact O-CG1 3.37Å; E567-I571 PolarHBondContact O-N 3.31Å
568V92.1Very high91.5Very high69 Ų69104.4 Ų104.442%0.41851%0.509SS..Hα-helixtrans-66.3-37.8175.61700000111.3L564 E565 Q566 R572L564-V568 WeakPolarHBondContact O-CB 3.26Å; L564-V568 VanDerWaalsContact O-CG2 3.24Å; L564-V568 WeakPolarHBondContact O-CG2 3.37Å; L564-V568 PolarHBondContact O-N 3.33Å; E565-V568 PolarHBondContact O-N 3.35Å; Q566-V568 VanDerWaalsContact C-N 3.34Å; Q566-V568 PolarHBondContact O-N 3.28Å; V568-R572 WeakPolarHBondContact O-CB 3.45Å; V568-R572 VanDerWaalsContact O-CG 3.28Å; V568-R572 WeakPolarHBondContact O-CG 3.39Å; V568-R572 PolarHBondContact O-N 3.42Å
569R92.9Very high91.6Very high159 Ų159103.5 Ų103.560%0.651%0.505SS*.Hα-helixtrans-64.9-46.1175.5-75.4176.6-167.8-158.66.5111.6E565 Q566 E567 I571 R572 E573E565-R569 WeakPolarHBondContact O-CB 3.37Å; E565-R569 VanDerWaalsContact O-CG 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.44Å; E565-R569 PolarHBondContact O-N 3.03Å; Q566-R569 PolarHBondContact O-N 3.17Å; E567-R569 VanDerWaalsContact C-N 3.34Å; E567-R569 PolarHBondContact O-N 3.4Å; R569-I571 PolarHBondContact O-N 3.18Å; R569-R572 PolarHBondContact O-N 3.44Å; R569-E573 WeakPolarHBondContact O-CG 3.49Å; R569-E573 PolarHBondContact O-N 2.83Å
570T92.6Very high91.6Very high83 Ų83103.2 Ų103.251%0.50950%0.503SS..Hα-helixtrans-65.1-39.7179.1570000112Q566 E567 E573 A574Q566-T570 WeakPolarHBondContact O-CG2 3.39Å; Q566-T570 PolarHBondContact O-N 3.43Å; Q566-T570 PolarHBondContact O-OG1 3.32Å; E567-T570 PolarHBondContact O-N 3.26Å; E567-T570 PolarHBondContact O-OG1 2.85Å; T570-E573 PolarHBondContact O-N 2.83Å; T570-A574 WeakPolarHBondContact O-CB 3.19Å; T570-A574 PolarHBondContact O-N 2.81Å
571I92.7Very high91.7Very high113 Ų113103.5 Ų103.558%0.57950%0.503SS*.Hα-helixtrans-64.3-42.6175.2-68.7168.5000111.1E567 R569 A574 E575E567-I571 WeakPolarHBondContact O-CB 3.47Å; E567-I571 VanDerWaalsContact O-CG1 3.24Å; E567-I571 WeakPolarHBondContact O-CG1 3.37Å; E567-I571 PolarHBondContact O-N 3.31Å; R569-I571 PolarHBondContact O-N 3.18Å; I571-A574 PolarHBondContact O-N 3.45Å; I571-E575 WeakPolarHBondContact O-CB 3.42Å; I571-E575 PolarHBondContact O-N 2.84Å
572R93Very high91.9Very high165 Ų165106.8 Ų106.862%0.62351%0.51SS*.Hα-helixtrans-65.3-37.7176.6-77.5179.5179.6171.75.2113V568 R569 E575 K576V568-R572 WeakPolarHBondContact O-CB 3.45Å; V568-R572 VanDerWaalsContact O-CG 3.28Å; V568-R572 WeakPolarHBondContact O-CG 3.39Å; V568-R572 PolarHBondContact O-N 3.42Å; R569-R572 PolarHBondContact O-N 3.44Å; R572-E575 PolarHBondContact O-N 3.26Å; R572-K576 WeakPolarHBondContact O-CB 3.35Å; R572-K576 PolarHBondContact O-N 3.29Å
573E92.2Very high91.8Very high125 Ų125108 Ų10858%0.58451%0.514SS*.Hα-helixtrans-66.3-40.4174-75.3176.5-175.800111.4R569 T570 K576 N577R569-E573 WeakPolarHBondContact O-CG 3.49Å; R569-E573 PolarHBondContact O-N 2.83Å; T570-E573 PolarHBondContact O-N 2.83Å; E573-K576 PolarHBondContact O-N 2.84Å; E573-N577 WeakPolarHBondContact O-CB 3.42Å; E573-N577 PolarHBondContact O-N 3.27Å; E573-N577 PolarHBondContact O-ND2 2.88Å
574A91.7Very high91.8Very high53 Ų53108.9 Ų108.944%0.43852%0.518SS..Hα-helixtrans-63.6-43.6173.700000112.1T570 I571 N577 E578T570-A574 WeakPolarHBondContact O-CB 3.19Å; T570-A574 PolarHBondContact O-N 2.81Å; I571-A574 PolarHBondContact O-N 3.45Å; A574-N577 PolarHBondContact O-N 3.35Å; A574-E578 PolarHBondContact O-N 2.87Å
575E90.7Very high91.8Very high94 Ų94109.3 Ų109.344%0.43952%0.52SS..Hα-helixtrans-58.4-51.2174.9-176.8-176.5-172.300111.1I571 R572 N577 E578 E579I571-E575 WeakPolarHBondContact O-CB 3.42Å; I571-E575 PolarHBondContact O-N 2.84Å; R572-E575 PolarHBondContact O-N 3.26Å; E575-N577 VanDerWaalsContact C-N 3.27Å; E575-N577 PolarHBondContact O-N 3.45Å; E575-E578 PolarHBondContact O-N 2.83Å; E575-E578 VanDerWaalsContact O-N 3.11Å; E575-E579 WeakPolarHBondContact O-CG 3.42Å; E575-E579 PolarHBondContact O-N 2.83Å
576K92.7Very high91.8Very high140 Ų140106.7 Ų106.761%0.60951%0.511SS*.Hα-helixtrans-58.7-38.6177.2-176.3-177.9176.7-175.40112.5R572 E573 S580R572-K576 WeakPolarHBondContact O-CB 3.35Å; R572-K576 PolarHBondContact O-N 3.29Å; E573-K576 PolarHBondContact O-N 2.84Å; K576-S580 WeakPolarHBondContact O-CB 3.41Å; K576-S580 PolarHBondContact O-N 2.86Å; K576-S580 PolarHBondContact O-OG 3.43Å
577N91.7Very high91.7Very high96 Ų96103.5 Ų103.551%0.51351%0.505SS..Hα-helixtrans-67.4-41.7176.7-74.8-22.9000111.6E573 A574 E575 S580 K581E573-N577 WeakPolarHBondContact O-CB 3.42Å; E573-N577 PolarHBondContact O-N 3.27Å; E573-N577 PolarHBondContact O-ND2 2.88Å; A574-N577 PolarHBondContact O-N 3.35Å; E575-N577 VanDerWaalsContact C-N 3.27Å; E575-N577 PolarHBondContact O-N 3.45Å; N577-S580 PolarHBondContact O-N 3.49Å; N577-K581 WeakPolarHBondContact O-CG 3.47Å; N577-K581 PolarHBondContact O-N 3.48Å
578E88.3Confident91.7Very high109 Ų109101.6 Ų101.651%0.50950%0.498SS..Hα-helixtrans-69.1-37.7175.8-71.9-54.4139.400112.6A574 E575 S580 K581 F582A574-E578 PolarHBondContact O-N 2.87Å; E575-E578 PolarHBondContact O-N 2.83Å; E575-E578 VanDerWaalsContact O-N 3.11Å; E578-S580 VanDerWaalsContact C-N 3.35Å; E578-K581 PolarHBondContact O-N 3.34Å; E578-K581 IonicContact OE1-NZ 2.73Å; E578-K581 PolarHBondContact OE1-NZ 2.8Å; E578-F582 WeakPolarHBondContact O-CB 3.4Å; E578-F582 PolarHBondContact O-N 3.38Å
579E91.2Very high91.6Very high100 Ų100103.9 Ų103.947%0.46751%0.507SS..Hα-helixtrans-61.2-43.5170.8-73.2-174.415100111.6E575 K581 F582 H583E575-E579 WeakPolarHBondContact O-CG 3.42Å; E575-E579 PolarHBondContact O-N 2.83Å; E579-K581 VanDerWaalsContact C-N 3.35Å; E579-K581 PolarHBondContact O-N 2.83Å; E579-F582 WeakPolarHBondContact O-CB 3.23Å; E579-F582 PolarHBondContact O-N 3Å; E579-H583 PolarHBondContact O-CD2 2.89Å; E579-H583 PolarHBondContact O-N 2.76Å
580S90.4Very high91.4Very high65 Ų65102.3 Ų102.346%0.45551%0.507SS..Hα-helixtrans-62.1-42.6176.5-59.30000111.5K576 N577 E578 H583 Y584K576-S580 WeakPolarHBondContact O-CB 3.41Å; K576-S580 PolarHBondContact O-N 2.86Å; K576-S580 PolarHBondContact O-OG 3.43Å; N577-S580 PolarHBondContact O-N 3.49Å; E578-S580 VanDerWaalsContact C-N 3.35Å; S580-H583 PolarHBondContact O-N 3.34Å; S580-Y584 WeakPolarHBondContact O-CB 3.31Å; S580-Y584 PolarHBondContact O-N 3.31Å
581K93Very high91.2Very high112 Ų112102.7 Ų102.749%0.48751%0.505SS..Hα-helixtrans-63.1-42.2173-72.4175-169.5169.90111.7N577 E578 E579 Y584 L585N577-K581 WeakPolarHBondContact O-CG 3.47Å; N577-K581 PolarHBondContact O-N 3.48Å; E578-K581 PolarHBondContact O-N 3.34Å; E578-K581 IonicContact OE1-NZ 2.73Å; E578-K581 PolarHBondContact OE1-NZ 2.8Å; E579-K581 VanDerWaalsContact C-N 3.35Å; E579-K581 PolarHBondContact O-N 2.83Å; K581-Y584 PolarHBondContact O-N 3.23Å; K581-L585 WeakPolarHBondContact O-CB 3.25Å; K581-L585 VanDerWaalsContact O-CG 3.3Å; K581-L585 WeakPolarHBondContact O-CG 3.41Å; K581-L585 PolarHBondContact O-N 3.17Å
582F92.5Very high91.1Very high126 Ų126102 Ų10255%0.55350%0.502SS*.Hα-helixtrans-60.9-46.9177.7174.2-95.7000111.6E578 E579 L585 T586E578-F582 WeakPolarHBondContact O-CB 3.4Å; E578-F582 PolarHBondContact O-N 3.38Å; E579-F582 WeakPolarHBondContact O-CB 3.23Å; E579-F582 PolarHBondContact O-N 3Å; F582-L585 PolarHBondContact O-N 3.34Å; F582-T586 WeakPolarHBondContact O-CB 3.36Å; F582-T586 PolarHBondContact O-N 2.87Å; F582-T586 PolarHBondContact O-OG1 2.86Å
583H90.8Very high90.9Very high118 Ų11898.5 Ų98.555%0.54649%0.493SS..Hα-helixtrans-64.9-41.4176.9-71.7-55.5000112.1E579 S580 T586 A587E579-H583 PolarHBondContact O-CD2 2.89Å; E579-H583 PolarHBondContact O-N 2.76Å; S580-H583 PolarHBondContact O-N 3.34Å; H583-T586 PolarHBondContact O-N 2.9Å; H583-A587 WeakPolarHBondContact O-CB 3.44Å; H583-A587 PolarHBondContact O-N 3.01Å
584Y92.6Very high90.6Very high156 Ų15697.1 Ų97.161%0.61249%0.488SS*.Hα-helixtrans-60.8-46.5174.2176.1-104.6000112.3S580 K581 T586 A587 N588S580-Y584 WeakPolarHBondContact O-CB 3.31Å; S580-Y584 PolarHBondContact O-N 3.31Å; K581-Y584 PolarHBondContact O-N 3.23Å; Y584-T586 VanDerWaalsContact C-N 3.34Å; Y584-T586 PolarHBondContact O-N 3.31Å; Y584-A587 PolarHBondContact O-N 2.97Å; Y584-N588 WeakPolarHBondContact CE1-ND2 3.35Å; Y584-N588 WeakPolarHBondContact O-CB 3.41Å; Y584-N588 PolarHBondContact O-N 2.96Å; Y584-N588 PolarHBondContact O-ND2 3.11Å
585L91Very high90.4Very high103 Ų10399.3 Ų99.354%0.53949%0.489SS..Hα-helixtrans-65.9-36.5177.1-72.6174000112.2K581 F582 N588 L589K581-L585 WeakPolarHBondContact O-CB 3.25Å; K581-L585 VanDerWaalsContact O-CG 3.3Å; K581-L585 WeakPolarHBondContact O-CG 3.41Å; K581-L585 PolarHBondContact O-N 3.17Å; F582-L585 PolarHBondContact O-N 3.34Å; L585-N588 PolarHBondContact O-N 2.82Å; L585-L589 WeakPolarHBondContact O-CB 3.38Å; L585-L589 WeakPolarHBondContact O-CG 3.25Å; L585-L589 PolarHBondContact O-N 3.42Å
586T92.9Very high90.2Very high45 Ų4599.6 Ų99.628%0.27649%0.491SS..Hα-helixtrans-65.8-45.7176.4-57.70000110.9F582 H583 Y584 N588 L589 E590F582-T586 WeakPolarHBondContact O-CB 3.36Å; F582-T586 PolarHBondContact O-N 2.87Å; F582-T586 PolarHBondContact O-OG1 2.86Å; H583-T586 PolarHBondContact O-N 2.9Å; Y584-T586 VanDerWaalsContact C-N 3.34Å; Y584-T586 PolarHBondContact O-N 3.31Å; T586-N588 VanDerWaalsContact C-N 3.31Å; T586-N588 PolarHBondContact O-N 3.48Å; T586-L589 WeakPolarHBondContact O-CB 3.39Å; T586-L589 PolarHBondContact O-N 3.29Å; T586-L589 VanDerWaalsContact O-N 3.16Å; T586-E590 WeakPolarHBondContact O-CG 3.21Å; T586-E590 PolarHBondContact O-N 2.82Å
587A89.2Confident89.8Confident52 Ų5298.1 Ų98.143%0.4348%0.484SS..Hα-helixtrans-61.3-39.3174.100000112.1H583 Y584 E590 L591H583-A587 WeakPolarHBondContact O-CB 3.44Å; H583-A587 PolarHBondContact O-N 3.01Å; Y584-A587 PolarHBondContact O-N 2.97Å; A587-E590 PolarHBondContact O-N 3.15Å; A587-L591 WeakPolarHBondContact O-CB 3.39Å; A587-L591 PolarHBondContact O-N 3.13Å
588N91.4Very high89.2Confident51 Ų5198.5 Ų98.527%0.27348%0.479SS..Hα-helixtrans-65.5-38.5173.8-76-25000112.7Y584 L585 T586 L591 L592Y584-N588 WeakPolarHBondContact CE1-ND2 3.35Å; Y584-N588 WeakPolarHBondContact O-CB 3.41Å; Y584-N588 PolarHBondContact O-N 2.96Å; Y584-N588 PolarHBondContact O-ND2 3.11Å; L585-N588 PolarHBondContact O-N 2.82Å; T586-N588 VanDerWaalsContact C-N 3.31Å; T586-N588 PolarHBondContact O-N 3.48Å; N588-L591 PolarHBondContact O-N 2.84Å; N588-L592 WeakPolarHBondContact O-CB 3.49Å; N588-L592 WeakPolarHBondContact O-CG 3.5Å; N588-L592 PolarHBondContact O-N 3.07Å
589L89.7Confident88.9Confident117 Ų11798.1 Ų98.161%0.61348%0.479SS*.Hα-helixtrans-65.2-39.7174.1-80.8173.8000111.8L585 T586 L592 H593L585-L589 WeakPolarHBondContact O-CB 3.38Å; L585-L589 WeakPolarHBondContact O-CG 3.25Å; L585-L589 PolarHBondContact O-N 3.42Å; T586-L589 WeakPolarHBondContact O-CB 3.39Å; T586-L589 PolarHBondContact O-N 3.29Å; T586-L589 VanDerWaalsContact O-N 3.16Å; L589-L592 PolarHBondContact O-N 3.48Å; L589-H593 WeakPolarHBondContact O-CB 3.42Å; L589-H593 PolarHBondContact O-N 2.9Å
590E89.4Confident88.4Confident125 Ų12597.6 Ų97.658%0.58448%0.477SS*.Hα-helixtrans-63.6-43.4173.4-72.4178.3179.800111.4T586 A587 H593 I594T586-E590 WeakPolarHBondContact O-CG 3.21Å; T586-E590 PolarHBondContact O-N 2.82Å; A587-E590 PolarHBondContact O-N 3.15Å; E590-H593 PolarHBondContact O-N 2.82Å; E590-I594 VanDerWaalsContact O-CG1 3.31Å; E590-I594 WeakPolarHBondContact O-CG1 3.17Å; E590-I594 PolarHBondContact O-N 3.33Å
591L89Confident87.6Confident91 Ų9197.8 Ų97.848%0.47647%0.473SS..Hα-helixtrans-61-45.3174.9-175.867.8000111.6A587 N588 H593 I594 Q595A587-L591 WeakPolarHBondContact O-CB 3.39Å; A587-L591 PolarHBondContact O-N 3.13Å; N588-L591 PolarHBondContact O-N 2.84Å; L591-H593 VanDerWaalsContact C-N 3.32Å; L591-H593 PolarHBondContact O-N 2.99Å; L591-I594 PolarHBondContact O-N 3.1Å; L591-Q595 WeakPolarHBondContact O-CG 3.4Å; L591-Q595 PolarHBondContact O-N 3.27Å
592L89.6Confident86.7Confident98 Ų9895.3 Ų95.351%0.51346%0.463SS..Hα-helixtrans-62-38.9174.3-82.2163.6000111.6N588 L589 Q595 Q596N588-L592 WeakPolarHBondContact O-CB 3.49Å; N588-L592 WeakPolarHBondContact O-CG 3.5Å; N588-L592 PolarHBondContact O-N 3.07Å; L589-L592 PolarHBondContact O-N 3.48Å; L592-Q595 PolarHBondContact O-N 3.25Å; L592-Q596 WeakPolarHBondContact O-CB 3.34Å; L592-Q596 PolarHBondContact O-N 3.41Å
593H89.1Confident85.8Confident93 Ų9393.7 Ų93.743%0.43146%0.459SS..Hα-helixtrans-67.4-37.9176.5-169.763.3000112L589 E590 L591 Q596 K597L589-H593 WeakPolarHBondContact O-CB 3.42Å; L589-H593 PolarHBondContact O-N 2.9Å; E590-H593 PolarHBondContact O-N 2.82Å; L591-H593 VanDerWaalsContact C-N 3.32Å; L591-H593 PolarHBondContact O-N 2.99Å; H593-Q596 PolarHBondContact O-N 3.38Å; H593-K597 WeakPolarHBondContact NE2-CE 3.12Å; H593-K597 WeakPolarHBondContact O-CB 3.46Å; H593-K597 WeakPolarHBondContact O-CG 3.29Å; H593-K597 PolarHBondContact O-N 3.31Å
594I86.4Confident84.8Confident96 Ų9695.1 Ų95.149%0.49246%0.46SS..Hα-helixtrans-63.5-44.5171.3-67.7164.9000110.1E590 L591 Q596 K597 R598E590-I594 VanDerWaalsContact O-CG1 3.31Å; E590-I594 WeakPolarHBondContact O-CG1 3.17Å; E590-I594 PolarHBondContact O-N 3.33Å; L591-I594 PolarHBondContact O-N 3.1Å; I594-Q596 VanDerWaalsContact C-N 3.35Å; I594-Q596 PolarHBondContact O-N 3.4Å; I594-K597 PolarHBondContact O-N 2.84Å; I594-R598 HydrophobicContact CG2-CG 4.47Å; I594-R598 WeakPolarHBondContact O-CB 3.35Å; I594-R598 VanDerWaalsContact O-CG 3.28Å; I594-R598 WeakPolarHBondContact O-CG 3.36Å; I594-R598 PolarHBondContact O-N 2.96Å
595Q85.9Confident83.6Confident98 Ų9887.9 Ų87.946%0.45843%0.433SS..Hα-helixtrans-61.7-41.7175.1-72175.5-1.300111.9L591 L592 R598 L599L591-Q595 WeakPolarHBondContact O-CG 3.4Å; L591-Q595 PolarHBondContact O-N 3.27Å; L592-Q595 PolarHBondContact O-N 3.25Å; Q595-R598 WeakPolarHBondContact O-CB 3.35Å; Q595-R598 PolarHBondContact O-N 2.97Å; Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 PolarHBondContact O-N 3.15Å
596Q87Confident82.4Confident101 Ų10187.3 Ų87.347%0.47242%0.424SS..Hα-helixtrans-63.2-44.2175.7-172.8-174.416.900111.5L592 H593 I594 L599 Q600L592-Q596 WeakPolarHBondContact O-CB 3.34Å; L592-Q596 PolarHBondContact O-N 3.41Å; H593-Q596 PolarHBondContact O-N 3.38Å; I594-Q596 VanDerWaalsContact C-N 3.35Å; I594-Q596 PolarHBondContact O-N 3.4Å; Q596-L599 PolarHBondContact O-N 2.88Å; Q596-Q600 WeakPolarHBondContact O-CG 3.39Å; Q596-Q600 PolarHBondContact O-N 2.78Å
597K85.5Confident80.9Confident109 Ų10989 Ų8947%0.47443%0.434SS..Hα-helixtrans-61.1-45173.3-80.3-178.2174.51700111.6H593 I594 L599 Q600 D601H593-K597 WeakPolarHBondContact NE2-CE 3.12Å; H593-K597 WeakPolarHBondContact O-CB 3.46Å; H593-K597 WeakPolarHBondContact O-CG 3.29Å; H593-K597 PolarHBondContact O-N 3.31Å; I594-K597 PolarHBondContact O-N 2.84Å; K597-L599 VanDerWaalsContact C-N 3.31Å; K597-L599 PolarHBondContact O-N 2.61Å; K597-Q600 PolarHBondContact O-N 3.03Å; K597-Q600 VanDerWaalsContact O-N 3.17Å; K597-D601 WeakPolarHBondContact O-CB 3.42Å; K597-D601 PolarHBondContact O-N 2.88Å
598R79.3Confident79.3Confident104 Ų10491.2 Ų91.239%0.39244%0.442SS..Hα-helixtrans-57.4-44.3175-74.2175.367.1-174.20.4111.6I594 Q595 D601 E602 Y633 Y637I594-R598 HydrophobicContact CG2-CG 4.47Å; I594-R598 WeakPolarHBondContact O-CB 3.35Å; I594-R598 VanDerWaalsContact O-CG 3.28Å; I594-R598 WeakPolarHBondContact O-CG 3.36Å; I594-R598 PolarHBondContact O-N 2.96Å; Q595-R598 WeakPolarHBondContact O-CB 3.35Å; Q595-R598 PolarHBondContact O-N 2.97Å; R598-D601 PolarHBondContact O-N 2.88Å; R598-E602 WeakPolarHBondContact O-CB 3.44Å; R598-E602 PolarHBondContact O-N 3.37Å; R598-Y633 HydrophobicContact CB-CE2 4.17Å; R598-Y633 HydrophobicContact CG-CE2 4.31Å; R598-Y637 PolarHBondContact NH2-OH 2.88Å
599L80.5Confident77.4Confident100 Ų10094.6 Ų94.652%0.52446%0.46SS..Hα-helixtrans-63.7-43.1175.8-166.698.4000111.6Q595 Q596 K597 E602 I603Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 PolarHBondContact O-N 3.15Å; Q596-L599 PolarHBondContact O-N 2.88Å; K597-L599 VanDerWaalsContact C-N 3.31Å; K597-L599 PolarHBondContact O-N 2.61Å; L599-E602 PolarHBondContact O-N 2.89Å; L599-I603 HydrophobicContact CD2-CD1 3.97Å; L599-I603 HydrophobicContact CG-CD1 4.14Å; L599-I603 WeakPolarHBondContact O-CB 3.45Å; L599-I603 VanDerWaalsContact O-CG1 3.24Å; L599-I603 WeakPolarHBondContact O-CG1 3.5Å; L599-I603 PolarHBondContact O-N 3.32Å
600Q81.5Confident75.4Confident90 Ų9094 Ų9442%0.42147%0.466SS..Hα-helixtrans-64.3-40.4177.3-75.9178.2-8.600112.5Q596 K597 I603 R604Q596-Q600 WeakPolarHBondContact O-CG 3.39Å; Q596-Q600 PolarHBondContact O-N 2.78Å; K597-Q600 PolarHBondContact O-N 3.03Å; K597-Q600 VanDerWaalsContact O-N 3.17Å; Q600-I603 PolarHBondContact O-N 2.72Å; Q600-R604 WeakPolarHBondContact O-CB 3.48Å; Q600-R604 VanDerWaalsContact O-CG 3.29Å; Q600-R604 WeakPolarHBondContact O-CG 3.37Å; Q600-R604 PolarHBondContact O-N 3.09Å
601D74.1Confident73.1Confident69 Ų6991.4 Ų91.437%0.36946%0.462SS..Hα-helixtrans-69-36.2175.9-71.4-25.5000111.5K597 R598 R604 G605 Y633K597-D601 WeakPolarHBondContact O-CB 3.42Å; K597-D601 PolarHBondContact O-N 2.88Å; R598-D601 PolarHBondContact O-N 2.88Å; D601-R604 PolarHBondContact O-N 3.5Å; D601-R604 IonicContact OD1-NH1 3.94Å; D601-G605 PolarHBondContact O-N 2.91Å; D601-Y633 HydrophobicContact CB-CE2 4.12Å
602E73.3Confident70.8Confident60 Ų6096 Ų9628%0.2848%0.48SS..Hα-helixtrans-64.8-46.8172.2-177.7165.5-159.400111.9R598 L599 R604 G605 Y606 Y633R598-E602 WeakPolarHBondContact O-CB 3.44Å; R598-E602 PolarHBondContact O-N 3.37Å; L599-E602 PolarHBondContact O-N 2.89Å; E602-R604 VanDerWaalsContact C-N 3.29Å; E602-R604 PolarHBondContact O-N 2.84Å; E602-G605 PolarHBondContact O-N 3.35Å; E602-G605 VanDerWaalsContact O-N 3.17Å; E602-Y606 HydrophobicContact CG-CD2 3.82Å; E602-Y606 HydrophobicContact CG-CE2 3.34Å; E602-Y606 WeakPolarHBondContact O-CD2 3.39Å; E602-Y606 PolarHBondContact O-N 2.88Å; E602-Y606 WeakPolarHBondContact OE1-CE2 3.46Å; E602-Y606 PolarHBondContact OE1-OH 2.95Å; E602-Y633 HydrophobicContact CB-CD2 4.22Å
603I74.3Confident68.4Low92 Ų9297 Ų9747%0.47249%0.491SS..Hα-helixtrans-57.8-44173.3-69.4164.6000110.1L599 Q600 G605 Y606 V607L599-I603 HydrophobicContact CD2-CD1 3.97Å; L599-I603 HydrophobicContact CG-CD1 4.14Å; L599-I603 WeakPolarHBondContact O-CB 3.45Å; L599-I603 VanDerWaalsContact O-CG1 3.24Å; L599-I603 WeakPolarHBondContact O-CG1 3.5Å; L599-I603 PolarHBondContact O-N 3.32Å; Q600-I603 PolarHBondContact O-N 2.72Å; I603-G605 PolarHBondContact O-N 3Å; I603-Y606 PolarHBondContact O-N 3.47Å; I603-V607 HydrophobicContact CG2-CG2 4.01Å; I603-V607 WeakPolarHBondContact O-CB 3.09Å; I603-V607 WeakPolarHBondContact O-CG2 3.25Å; I603-V607 PolarHBondContact O-N 3.19Å
604R70Confident65.8Low148 Ų14896.5 Ų96.556%0.55850%0.502SS*.Hα-helixtrans-60.7-43.2176.3-78.9171.2173.1177.8-3.3112.2Q600 D601 E602 Y606 V607 T608Q600-R604 WeakPolarHBondContact O-CB 3.48Å; Q600-R604 VanDerWaalsContact O-CG 3.29Å; Q600-R604 WeakPolarHBondContact O-CG 3.37Å; Q600-R604 PolarHBondContact O-N 3.09Å; D601-R604 PolarHBondContact O-N 3.5Å; D601-R604 IonicContact OD1-NH1 3.94Å; E602-R604 VanDerWaalsContact C-N 3.29Å; E602-R604 PolarHBondContact O-N 2.84Å; R604-Y606 VanDerWaalsContact C-N 3.34Å; R604-Y606 PolarHBondContact O-N 2.85Å; R604-V607 PolarHBondContact O-N 3.22Å; R604-T608 WeakPolarHBondContact O-CG2 3.2Å; R604-T608 PolarHBondContact O-N 3.27Å; R604-T608 PolarHBondContact O-OG1 2.9Å
605G66.1Low63.6Low4 Ų499.8 Ų99.84%0.04152%0.52CS..Hα-helixtrans-58.4-43.8175.600000112.5D601 E602 I603 T608 D609D601-G605 PolarHBondContact O-N 2.91Å; E602-G605 PolarHBondContact O-N 3.35Å; E602-G605 VanDerWaalsContact O-N 3.17Å; I603-G605 PolarHBondContact O-N 3Å; G605-T608 PolarHBondContact O-OG1 2.86Å; G605-D609 PolarHBondContact O-N 3.43Å
606Y66.4Low61.2Low91 Ų9199.9 Ų99.936%0.35753%0.531SS..Hα-helixtrans-71.5-36.7176.4-68.9-61.6000113.6E602 I603 R604 D609 S610 R634E602-Y606 HydrophobicContact CG-CD2 3.82Å; E602-Y606 HydrophobicContact CG-CE2 3.34Å; E602-Y606 WeakPolarHBondContact O-CD2 3.39Å; E602-Y606 PolarHBondContact O-N 2.88Å; E602-Y606 WeakPolarHBondContact OE1-CE2 3.46Å; E602-Y606 PolarHBondContact OE1-OH 2.95Å; I603-Y606 PolarHBondContact O-N 3.47Å; R604-Y606 VanDerWaalsContact C-N 3.34Å; R604-Y606 PolarHBondContact O-N 2.85Å; Y606-D609 PolarHBondContact O-N 3.17Å; Y606-S610 PolarHBondContact O-N 2.97Å; Y606-S610 VanDerWaalsContact O-N 3.17Å; Y606-S610 PolarHBondContact O-OG 3.49Å; Y606-R634 WeakPolarHBondContact OH-CD 3.04Å
607V61.7Low58.7Low81 Ų8199.8 Ų99.849%0.49154%0.542SS..Hα-helixtrans-69.3-34.4178.61720000111.2I603 R604 D609 S610 S611I603-V607 HydrophobicContact CG2-CG2 4.01Å; I603-V607 WeakPolarHBondContact O-CB 3.09Å; I603-V607 WeakPolarHBondContact O-CG2 3.25Å; I603-V607 PolarHBondContact O-N 3.19Å; R604-V607 PolarHBondContact O-N 3.22Å; V607-D609 VanDerWaalsContact C-N 3.32Å; V607-D609 PolarHBondContact O-N 3.05Å; V607-S610 PolarHBondContact O-N 3.41Å; V607-S611 PolarHBondContact O-N 3.38Å; V607-S611 PolarHBondContact O-OG 2.85Å
608T56.1Low56.5Low98 Ų98102.3 Ų102.360%0.60156%0.561SS**Hα-helixtrans-70.6-25.7174.949.30000113.5R604 G605R604-T608 WeakPolarHBondContact O-CG2 3.2Å; R604-T608 PolarHBondContact O-N 3.27Å; R604-T608 PolarHBondContact O-OG1 2.9Å; G605-T608 PolarHBondContact O-OG1 2.86Å
609D50.1Low54.4Low121 Ų121106.3 Ų106.365%0.64758%0.581SS**Hα-helixtrans-84.9-17174.2-80.1-18.3000113.3G605 Y606 V607G605-D609 PolarHBondContact O-N 3.43Å; Y606-D609 PolarHBondContact O-N 3.17Å; V607-D609 VanDerWaalsContact C-N 3.32Å; V607-D609 PolarHBondContact O-N 3.05Å
610S48.1Very low52.2Low104 Ų104108.2 Ų108.273%0.72759%0.591SS**Hα-helixtrans-111.53.1-174.8-63.90000115.6Y606 V607Y606-S610 PolarHBondContact O-N 2.97Å; Y606-S610 VanDerWaalsContact O-N 3.17Å; Y606-S610 PolarHBondContact O-OG 3.49Å; V607-S610 PolarHBondContact O-N 3.41Å
611S41.2Very low50.1Low71 Ų71112.1 Ų112.150%0.49761%0.61SS.*  trans-126.664.3-177.859.50000113.6V607 V613V607-S611 PolarHBondContact O-N 3.38Å; V607-S611 PolarHBondContact O-OG 2.85Å; S611-V613 PolarHBondContact O-N 3.44Å
612H40.7Very low48.2Very low188 Ų188113.3 Ų113.387%0.8762%0.623SS**  trans-69.7116.4142.8-157-84.1000105.6
613V38.2Very low46.4Very low120 Ų120119.3 Ų119.373%0.72765%0.648SS**SBendtrans116.998.7176.1-176.50000113.9S611S611-V613 PolarHBondContact O-N 3.44Å
614A35.7Very low44.2Very low81 Ų81121.1 Ų121.167%0.66966%0.664SS**  trans61.9106.8140.900000119.6
615L40.4Very low42.5Very low166 Ų166123 Ų12387%0.86968%0.679SS**  -168.8126.495.8-11889.9000111.2
616S35.6Very low41.2Very low100 Ų100128.8 Ų128.870%0.69971%0.714SS**  trans-52148163.461.70000111.5
617S35.1Very low39.8Very low99 Ų99131.1 Ų131.169%0.69274%0.737SS**  169.3124.562.341.50000107.7
618N37.8Very low39Very low162 Ų162134.9 Ų134.987%0.86675%0.749SS**  163.9103.2128.2-99.4-20.5000112
619K35Very low38.7Very low188 Ų188138.8 Ų138.882%0.81776%0.758SS**  trans-10.9150.3150.1-75.2176.7173.4178.20119.4
620N35.1Very low38.8Very low139 Ų139142.9 Ų142.974%0.74376%0.764SS**  trans89.6116.6160.9-57.3-11.7000113
621E36.4Very low39.4Very low173 Ų173142.5 Ų142.581%0.80875%0.749SS**  cis-161.9147.736.6-108.1153.1-162.300111.1
622S34.8Very low40.7Very low93 Ų93139.3 Ų139.365%0.6573%0.727SS**  trans0.3142148.9430000118.3
623K35Very low42.1Very low187 Ų187133.7 Ų133.781%0.81370%0.699SS**  cis-172.9146.925-112.3160.9-174.8179.30106.1
624T29.8Very low43.9Very low129 Ų129136.1 Ų136.179%0.79170%0.695SS**  trans52.687.2152.157.60000117.6
625E33.1Very low45.7Very low187 Ų187136.5 Ų136.587%0.87468%0.683SS**  trans-153.6119.8138.5-110.8163.9-148.400107.6V627E625-V627 PolarHBondContact O-N 3.29Å
626T38.9Very low47.5Very low126 Ų126131.9 Ų131.977%0.77366%0.658SS**  trans-41.5121.3-178.839.20000111E628T626-E628 PolarHBondContact O-N 3.46Å
627V37.8Very low49.7Very low140 Ų140132.4 Ų132.485%0.84865%0.646SS**  trans-66.971.2173.6-175.90000108.4E625 K629E625-V627 PolarHBondContact O-N 3.29Å; V627-K629 PolarHBondContact O-N 2.9Å; V627-K629 VanDerWaalsContact O-N 3.11Å
628E44Very low52Low161 Ų161131.5 Ų131.575%0.75264%0.636SS**  trans-64.7106.7154.4-73.1-167.7162.700105.3T626 R630T626-E628 PolarHBondContact O-N 3.46Å; E628-R630 PolarHBondContact O-N 3.46Å
629K49.4Very low54.2Low180 Ų180130.5 Ų130.578%0.78362%0.62SS**  trans-28.8108169.3-64.6176.7176.5-176.10109V627 K631V627-K629 PolarHBondContact O-N 2.9Å; V627-K629 VanDerWaalsContact O-N 3.11Å; K629-K631 WeakPolarHBondContact O-CG 3.36Å; K629-K631 PolarHBondContact O-N 3.37Å
630R52.6Low56.5Low207 Ų207127.2 Ų127.278%0.78161%0.606SS**  trans-69.588.3-179.2-76.6-175.1-175.7173.32.3108.1E628E628-R630 PolarHBondContact O-N 3.46Å
631K61.3Low58.9Low95 Ų95125 Ų12541%0.41359%0.593SS.*  trans-61.9135.6178.9-69.6175.5-178.9171.90110K629 E635 I636 R639K629-K631 WeakPolarHBondContact O-CG 3.36Å; K629-K631 PolarHBondContact O-N 3.37Å; K631-E635 WeakPolarHBondContact CA-OE2 3.16Å; K631-E635 HydrophobicContact CB-CB 4.26Å; K631-E635 WeakPolarHBondContact CB-OE2 3.32Å; K631-E635 VanDerWaalsContact CG-OE2 3.31Å; K631-E635 WeakPolarHBondContact CG-OE2 3.16Å; K631-I636 HydrophobicContact CB-CG1 4.29Å; K631-R639 VanDerWaalsContact NZ-NH1 3.17Å
632S67.6Low61.3Low5 Ų5119.4 Ų119.44%0.03558%0.576CS.*  trans-56.8147.6176.31710000110.9R634 E635 I636S632-R634 PolarHBondContact O-N 2.78Å; S632-R634 VanDerWaalsContact O-N 3.1Å; S632-R634 PolarHBondContact OG-N 3.19Å; S632-E635 WeakPolarHBondContact O-CA 3.28Å; S632-E635 WeakPolarHBondContact O-CB 3.02Å; S632-E635 PolarHBondContact O-N 3.49Å; S632-I636 PolarHBondContact O-N 2.87Å
633Y69.8Low63.8Low70 Ų70120.1 Ų120.128%0.27557%0.57SS.*Hα-helixtrans-53-33.8175.2-77.8-73.4000111.9R598 D601 E602 E635 I636 Y637R598-Y633 HydrophobicContact CB-CE2 4.17Å; R598-Y633 HydrophobicContact CG-CE2 4.31Å; D601-Y633 HydrophobicContact CB-CE2 4.12Å; E602-Y633 HydrophobicContact CB-CD2 4.22Å; Y633-E635 VanDerWaalsContact C-N 3.34Å; Y633-E635 PolarHBondContact O-N 3.31Å; Y633-I636 PolarHBondContact O-N 3.35Å; Y633-Y637 HydrophobicContact CD1-CE2 4.16Å; Y633-Y637 WeakPolarHBondContact O-CB 3.44Å; Y633-Y637 WeakPolarHBondContact O-CD2 3.49Å; Y633-Y637 PolarHBondContact O-N 3.1Å
634R75.9Confident66.2Low171 Ų171116.8 Ų116.865%0.64556%0.557SS**Hα-helixtrans-56.4-47.8173.4-175.3177.6177.7-176.9-0.9111.7Y606 S632 Y637 T638Y606-R634 WeakPolarHBondContact OH-CD 3.04Å; S632-R634 PolarHBondContact O-N 2.78Å; S632-R634 VanDerWaalsContact O-N 3.1Å; S632-R634 PolarHBondContact OG-N 3.19Å; R634-Y637 PolarHBondContact O-N 2.73Å; R634-T638 PolarHBondContact O-N 3.47Å; R634-T638 PolarHBondContact O-OG1 3.07Å
635E73.6Confident69Low89 Ų89116 Ų11642%0.41654%0.544SS..Hα-helixtrans-66.7-38178.1-63.3-171.8145.400112.6K631 S632 Y633 T638 R639K631-E635 WeakPolarHBondContact CA-OE2 3.16Å; K631-E635 HydrophobicContact CB-CB 4.26Å; K631-E635 WeakPolarHBondContact CB-OE2 3.32Å; K631-E635 VanDerWaalsContact CG-OE2 3.31Å; K631-E635 WeakPolarHBondContact CG-OE2 3.16Å; S632-E635 WeakPolarHBondContact O-CA 3.28Å; S632-E635 WeakPolarHBondContact O-CB 3.02Å; S632-E635 PolarHBondContact O-N 3.49Å; Y633-E635 VanDerWaalsContact C-N 3.34Å; Y633-E635 PolarHBondContact O-N 3.31Å; E635-T638 WeakPolarHBondContact CA-OG1 3.17Å; E635-T638 PolarHBondContact O-OG1 3.47Å; E635-R639 VanDerWaalsContact O-CB 3.26Å; E635-R639 WeakPolarHBondContact O-CB 3.16Å; E635-R639 PolarHBondContact O-N 3.32Å
636I79.2Confident71.6Confident68 Ų68109.6 Ų109.635%0.34952%0.523SS..Hα-helixtrans-64-45.9176.3-62.7171.8000110K631 S632 Y633 K640K631-I636 HydrophobicContact CB-CG1 4.29Å; S632-I636 PolarHBondContact O-N 2.87Å; Y633-I636 PolarHBondContact O-N 3.35Å; I636-K640 WeakPolarHBondContact O-CB 3.45Å; I636-K640 WeakPolarHBondContact O-CG 3.38Å; I636-K640 PolarHBondContact O-N 3.1Å
637Y81.2Confident74Confident112 Ų112107.7 Ų107.744%0.43951%0.508SS..Hα-helixtrans-72.4-40.2180-73.8-60.8000112.5R598 Y633 R634 R639 K640 I641R598-Y637 PolarHBondContact NH2-OH 2.88Å; Y633-Y637 HydrophobicContact CD1-CE2 4.16Å; Y633-Y637 WeakPolarHBondContact O-CB 3.44Å; Y633-Y637 WeakPolarHBondContact O-CD2 3.49Å; Y633-Y637 PolarHBondContact O-N 3.1Å; R634-Y637 PolarHBondContact O-N 2.73Å; Y637-R639 VanDerWaalsContact C-N 3.31Å; Y637-R639 PolarHBondContact O-N 2.94Å; Y637-K640 PolarHBondContact O-N 3.29Å; Y637-I641 WeakPolarHBondContact O-CB 3.41Å; Y637-I641 WeakPolarHBondContact O-CD1 3.12Å; Y637-I641 WeakPolarHBondContact O-CG1 3.38Å; Y637-I641 PolarHBondContact O-N 3.26Å
638T84Confident76.2Confident79 Ų79104 Ų10449%0.48549%0.486SS..Hα-helixtrans-63.2-38.3173.537.10000112R634 E635 I641 A642R634-T638 PolarHBondContact O-N 3.47Å; R634-T638 PolarHBondContact O-OG1 3.07Å; E635-T638 WeakPolarHBondContact CA-OG1 3.17Å; E635-T638 PolarHBondContact O-OG1 3.47Å; T638-I641 PolarHBondContact O-N 3.27Å; T638-A642 WeakPolarHBondContact O-CB 3.44Å; T638-A642 PolarHBondContact O-N 2.74Å
639R83.8Confident78.3Confident141 Ų141103.2 Ų103.253%0.53248%0.48SS..Hα-helixtrans-62.6-48.4172.2177.2178.7-92.7-177.3-17.4111.6K631 E635 Y637 I641 A642 E643K631-R639 VanDerWaalsContact NZ-NH1 3.17Å; E635-R639 VanDerWaalsContact O-CB 3.26Å; E635-R639 WeakPolarHBondContact O-CB 3.16Å; E635-R639 PolarHBondContact O-N 3.32Å; Y637-R639 VanDerWaalsContact C-N 3.31Å; Y637-R639 PolarHBondContact O-N 2.94Å; R639-I641 VanDerWaalsContact C-N 3.33Å; R639-I641 PolarHBondContact O-N 3.42Å; R639-A642 PolarHBondContact O-N 3.39Å; R639-E643 WeakPolarHBondContact CG-OE1 3.36Å; R639-E643 WeakPolarHBondContact O-CG 3.44Å; R639-E643 PolarHBondContact O-N 2.9Å
640K84Confident80.2Confident120 Ų12097.8 Ų97.852%0.52246%0.462SS..Hα-helixtrans-62.7-37.4177.1-79.4-171.2176.6-173.10112.8I636 Y637 E643 Q644I636-K640 WeakPolarHBondContact O-CB 3.45Å; I636-K640 WeakPolarHBondContact O-CG 3.38Å; I636-K640 PolarHBondContact O-N 3.1Å; Y637-K640 PolarHBondContact O-N 3.29Å; K640-E643 PolarHBondContact O-N 2.8Å; K640-Q644 WeakPolarHBondContact O-CB 3.38Å; K640-Q644 VanDerWaalsContact O-CG 3.27Å; K640-Q644 WeakPolarHBondContact O-CG 3.49Å; K640-Q644 PolarHBondContact O-N 2.97Å
641I84.6Confident81.8Confident91 Ų9192.1 Ų92.147%0.46745%0.447SS..Hα-helixtrans-63.7-48.3174.5-71.5163.9000109.4Y637 T638 R639 E643 Q644 E645Y637-I641 WeakPolarHBondContact O-CB 3.41Å; Y637-I641 WeakPolarHBondContact O-CD1 3.12Å; Y637-I641 WeakPolarHBondContact O-CG1 3.38Å; Y637-I641 PolarHBondContact O-N 3.26Å; T638-I641 PolarHBondContact O-N 3.27Å; R639-I641 VanDerWaalsContact C-N 3.33Å; R639-I641 PolarHBondContact O-N 3.42Å; I641-E643 VanDerWaalsContact C-N 3.31Å; I641-E643 PolarHBondContact O-N 3.04Å; I641-Q644 PolarHBondContact O-N 3.36Å; I641-E645 HydrophobicContact CG2-CG 4.18Å; I641-E645 WeakPolarHBondContact O-CB 3.39Å; I641-E645 VanDerWaalsContact O-CG 3.3Å; I641-E645 WeakPolarHBondContact O-CG 3.33Å; I641-E645 PolarHBondContact O-N 2.75Å
642A86.7Confident83Confident56 Ų5693.8 Ų93.846%0.46345%0.454SS..Hα-helixtrans-60.3-39.8176.800000112.4T638 R639 A646T638-A642 WeakPolarHBondContact O-CB 3.44Å; T638-A642 PolarHBondContact O-N 2.74Å; R639-A642 PolarHBondContact O-N 3.39Å; A642-A646 WeakPolarHBondContact O-CB 3.36Å; A642-A646 PolarHBondContact O-N 3.42Å
643E87.1Confident84Confident108 Ų10899.8 Ų99.851%0.50548%0.481SS..Hα-helixtrans-63.9-45.8174-74.5169.1-172.300112R639 K640 I641 A646 L647R639-E643 WeakPolarHBondContact CG-OE1 3.36Å; R639-E643 WeakPolarHBondContact O-CG 3.44Å; R639-E643 PolarHBondContact O-N 2.9Å; K640-E643 PolarHBondContact O-N 2.8Å; I641-E643 VanDerWaalsContact C-N 3.31Å; I641-E643 PolarHBondContact O-N 3.04Å; E643-A646 PolarHBondContact O-N 3.32Å; E643-L647 WeakPolarHBondContact O-CB 3.5Å; E643-L647 PolarHBondContact O-N 3Å
644Q86.2Confident84.7Confident118 Ų118101.8 Ų101.855%0.55149%0.493SS*.Hα-helixtrans-69.8-34.6178-72.3-64.3-2800112.8K640 I641 L647 T648K640-Q644 WeakPolarHBondContact O-CB 3.38Å; K640-Q644 VanDerWaalsContact O-CG 3.27Å; K640-Q644 WeakPolarHBondContact O-CG 3.49Å; K640-Q644 PolarHBondContact O-N 2.97Å; I641-Q644 PolarHBondContact O-N 3.36Å; Q644-L647 PolarHBondContact O-N 3.05Å; Q644-T648 VanDerWaalsContact O-CB 3.31Å; Q644-T648 WeakPolarHBondContact O-CB 3.08Å; Q644-T648 PolarHBondContact O-N 3.05Å; Q644-T648 PolarHBondContact O-OG1 2.85Å
645E88.8Confident85.2Confident111 Ų11199 Ų9952%0.51949%0.487SS..Hα-helixtrans-67.4-39.7173-76.4-179.6174.900111.4I641 T648 K649I641-E645 HydrophobicContact CG2-CG 4.18Å; I641-E645 WeakPolarHBondContact O-CB 3.39Å; I641-E645 VanDerWaalsContact O-CG 3.3Å; I641-E645 WeakPolarHBondContact O-CG 3.33Å; I641-E645 PolarHBondContact O-N 2.75Å; E645-T648 PolarHBondContact O-N 2.69Å; E645-K649 WeakPolarHBondContact O-CG 3.41Å; E645-K649 PolarHBondContact O-N 3.47Å
646A87Confident85.8Confident53 Ų53101.6 Ų101.644%0.43850%0.497SS..Hα-helixtrans-62.5-46.1172.300000111.2A642 E643 T648 K649 T650A642-A646 WeakPolarHBondContact O-CB 3.36Å; A642-A646 PolarHBondContact O-N 3.42Å; E643-A646 PolarHBondContact O-N 3.32Å; A646-T648 PolarHBondContact O-N 3.07Å; A646-K649 WeakPolarHBondContact O-CB 3.5Å; A646-K649 PolarHBondContact O-N 3.2Å; A646-T650 PolarHBondContact O-N 2.97Å; A646-T650 PolarHBondContact O-OG1 3.44Å
647L89.2Confident86.2Confident87 Ų87106.8 Ų106.846%0.45551%0.513SS..Hα-helixtrans-62.1-40.3174.8-16694.3000112.2E643 Q644 K649 T650 L651E643-L647 WeakPolarHBondContact O-CB 3.5Å; E643-L647 PolarHBondContact O-N 3Å; Q644-L647 PolarHBondContact O-N 3.05Å; L647-K649 VanDerWaalsContact C-N 3.32Å; L647-K649 PolarHBondContact O-N 3.33Å; L647-T650 WeakPolarHBondContact CA-OG1 3.4Å; L647-T650 PolarHBondContact O-N 2.97Å; L647-T650 PolarHBondContact O-OG1 2.69Å; L647-L651 HydrophobicContact CD2-CD1 3.92Å; L647-L651 HydrophobicContact CG-CD1 4.07Å; L647-L651 HydrophobicContact CG-CG 4.46Å; L647-L651 WeakPolarHBondContact O-CB 3.4Å; L647-L651 VanDerWaalsContact O-CG 3.3Å; L647-L651 WeakPolarHBondContact O-CG 3.49Å; L647-L651 PolarHBondContact O-N 3.24Å
648T85.3Confident86.2Confident62 Ų62107.3 Ų107.338%0.3852%0.522SS..Hα-helixtrans-66.2-37.5177.5-59.50000110.9Q644 E645 A646 K652Q644-T648 VanDerWaalsContact O-CB 3.31Å; Q644-T648 WeakPolarHBondContact O-CB 3.08Å; Q644-T648 PolarHBondContact O-N 3.05Å; Q644-T648 PolarHBondContact O-OG1 2.85Å; E645-T648 PolarHBondContact O-N 2.69Å; A646-T648 PolarHBondContact O-N 3.07Å; T648-K652 HydrophobicContact CG2-CD 4.26Å; T648-K652 HydrophobicContact CG2-CG 4.46Å; T648-K652 WeakPolarHBondContact O-CB 3.38Å; T648-K652 VanDerWaalsContact O-CG 3.28Å; T648-K652 WeakPolarHBondContact O-CG 3.47Å; T648-K652 PolarHBondContact O-N 2.94Å
649K88.3Confident86.2Confident144 Ų144108.1 Ų108.163%0.62652%0.523SS*.Hα-helixtrans-64.3-43.2174.3-77.1174.3-1781740111.5E645 A646 L647 Q653E645-K649 WeakPolarHBondContact O-CG 3.41Å; E645-K649 PolarHBondContact O-N 3.47Å; A646-K649 WeakPolarHBondContact O-CB 3.5Å; A646-K649 PolarHBondContact O-N 3.2Å; L647-K649 VanDerWaalsContact C-N 3.32Å; L647-K649 PolarHBondContact O-N 3.33Å; K649-Q653 WeakPolarHBondContact O-CG 3.23Å; K649-Q653 PolarHBondContact O-N 3.01Å
650T88.2Confident86.3Confident67 Ų67108.4 Ų108.441%0.41153%0.53SS..Hα-helixtrans-66.7-45.9176.755.30000111.6A646 L647 K652 Q653 E654A646-T650 PolarHBondContact O-N 2.97Å; A646-T650 PolarHBondContact O-OG1 3.44Å; L647-T650 WeakPolarHBondContact CA-OG1 3.4Å; L647-T650 PolarHBondContact O-N 2.97Å; L647-T650 PolarHBondContact O-OG1 2.69Å; T650-K652 VanDerWaalsContact C-N 3.35Å; T650-K652 PolarHBondContact O-N 2.95Å; T650-Q653 WeakPolarHBondContact O-CB 3.43Å; T650-Q653 PolarHBondContact O-N 2.95Å; T650-Q653 VanDerWaalsContact O-N 3.09Å; T650-E654 PolarHBondContact O-N 3.34Å
651L86.2Confident86.4Confident87 Ų87107.5 Ų107.546%0.45553%0.531SS..Hα-helixtrans-62.3-37.3176.9-72.8172000112.8L647 Q653 E654 Q655L647-L651 HydrophobicContact CD2-CD1 3.92Å; L647-L651 HydrophobicContact CG-CD1 4.07Å; L647-L651 HydrophobicContact CG-CG 4.46Å; L647-L651 WeakPolarHBondContact O-CB 3.4Å; L647-L651 VanDerWaalsContact O-CG 3.3Å; L647-L651 WeakPolarHBondContact O-CG 3.49Å; L647-L651 PolarHBondContact O-N 3.24Å; L651-Q653 VanDerWaalsContact C-N 3.31Å; L651-Q653 PolarHBondContact O-N 3.15Å; L651-E654 PolarHBondContact O-N 2.88Å; L651-Q655 WeakPolarHBondContact O-CB 3.38Å; L651-Q655 PolarHBondContact O-N 3.49Å
652K87.2Confident86.2Confident130 Ų130108.4 Ų108.457%0.56553%0.534SS*.Hα-helixtrans-64.8-35173.6-80.4179.4178179.70112.5T648 T650 K656T648-K652 HydrophobicContact CG2-CD 4.26Å; T648-K652 HydrophobicContact CG2-CG 4.46Å; T648-K652 WeakPolarHBondContact O-CB 3.38Å; T648-K652 VanDerWaalsContact O-CG 3.28Å; T648-K652 WeakPolarHBondContact O-CG 3.47Å; T648-K652 PolarHBondContact O-N 2.94Å; T650-K652 VanDerWaalsContact C-N 3.35Å; T650-K652 PolarHBondContact O-N 2.95Å; K652-K656 PolarHBondContact O-N 2.99Å; K652-K656 VanDerWaalsContact O-N 3.07Å
653Q86.9Confident85.9Confident131 Ų131114.2 Ų114.261%0.61255%0.548SS*.Hα-helixtrans-68.5-41.6173.8-71173.2-6.400111.1K649 T650 L651 K656 R657K649-Q653 WeakPolarHBondContact O-CG 3.23Å; K649-Q653 PolarHBondContact O-N 3.01Å; T650-Q653 WeakPolarHBondContact O-CB 3.43Å; T650-Q653 PolarHBondContact O-N 2.95Å; T650-Q653 VanDerWaalsContact O-N 3.09Å; L651-Q653 VanDerWaalsContact C-N 3.31Å; L651-Q653 PolarHBondContact O-N 3.15Å; Q653-K656 PolarHBondContact O-N 3.43Å; Q653-R657 WeakPolarHBondContact O-CG 3.27Å; Q653-R657 PolarHBondContact O-N 3.36Å; Q653-R657 VanDerWaalsContact O-N 3.15Å
654E85.4Confident85.7Confident112 Ų112116.3 Ų116.352%0.52356%0.556SS.*Hα-helixtrans-65-41.9173.8-70.4-174.9162.900112.5T650 L651 K656 R657 L658T650-E654 PolarHBondContact O-N 3.34Å; L651-E654 PolarHBondContact O-N 2.88Å; E654-K656 PolarHBondContact O-N 3.44Å; E654-R657 WeakPolarHBondContact O-CB 3.4Å; E654-R657 PolarHBondContact O-N 3.43Å; E654-L658 WeakPolarHBondContact O-CG 3.45Å; E654-L658 PolarHBondContact O-N 3.21Å
655Q86.1Confident85.5Confident112 Ų112112 Ų11252%0.52354%0.544SS..Hα-helixtrans-61.3-44176.1-174.1-174.710.500111.6L651 R657 L658 I659L651-Q655 WeakPolarHBondContact O-CB 3.38Å; L651-Q655 PolarHBondContact O-N 3.49Å; Q655-R657 VanDerWaalsContact C-N 3.33Å; Q655-R657 PolarHBondContact O-N 2.81Å; Q655-L658 PolarHBondContact O-N 3.34Å; Q655-I659 HydrophobicContact CG-CD1 3.89Å; Q655-I659 HydrophobicContact CG-CG1 4.42Å; Q655-I659 WeakPolarHBondContact O-CG1 3.4Å; Q655-I659 PolarHBondContact O-N 3.45Å
656K87.2Confident85.2Confident144 Ų144111.9 Ų111.963%0.62655%0.546SS*.Hα-helixtrans-58.1-46.3174-81.9-173.1174.6-170.70111.3K652 Q653 E654 L658 I659 E660K652-K656 PolarHBondContact O-N 2.99Å; K652-K656 VanDerWaalsContact O-N 3.07Å; Q653-K656 PolarHBondContact O-N 3.43Å; E654-K656 PolarHBondContact O-N 3.44Å; K656-L658 VanDerWaalsContact C-N 3.32Å; K656-L658 PolarHBondContact O-N 3.44Å; K656-I659 PolarHBondContact O-N 2.84Å; K656-E660 WeakPolarHBondContact O-CB 3.44Å; K656-E660 WeakPolarHBondContact O-CG 3.17Å; K656-E660 PolarHBondContact O-N 2.89Å
657R86.1Confident85.1Confident177 Ų177116.4 Ų116.467%0.66856%0.556SS**Hα-helixtrans-60.7-37.8174.9-73.4-179.4173.4-176.4-1112.7Q653 E654 Q655 N661Q653-R657 WeakPolarHBondContact O-CG 3.27Å; Q653-R657 PolarHBondContact O-N 3.36Å; Q653-R657 VanDerWaalsContact O-N 3.15Å; E654-R657 WeakPolarHBondContact O-CB 3.4Å; E654-R657 PolarHBondContact O-N 3.43Å; Q655-R657 VanDerWaalsContact C-N 3.33Å; Q655-R657 PolarHBondContact O-N 2.81Å; R657-N661 WeakPolarHBondContact O-CB 3.34Å; R657-N661 VanDerWaalsContact O-CG 3.28Å; R657-N661 PolarHBondContact O-N 3.03Å; R657-N661 PolarHBondContact O-ND2 3.39Å
658L82.7Confident84.9Confident123 Ų123117.3 Ų117.364%0.64456%0.557SS**Hα-helixtrans-69.6-44177.5-76.3173000112.2E654 Q655 K656 E660 N661 E662E654-L658 WeakPolarHBondContact O-CG 3.45Å; E654-L658 PolarHBondContact O-N 3.21Å; Q655-L658 PolarHBondContact O-N 3.34Å; K656-L658 VanDerWaalsContact C-N 3.32Å; K656-L658 PolarHBondContact O-N 3.44Å; L658-E660 VanDerWaalsContact C-N 3.34Å; L658-E660 PolarHBondContact O-N 3.37Å; L658-N661 CarbonylContact O-C 3.6Å; L658-N661 PolarHBondContact O-N 3.34Å; L658-N661 VanDerWaalsContact O-N 3.11Å; L658-E662 WeakPolarHBondContact O-CA 3.29Å; L658-E662 WeakPolarHBondContact O-CB 3.42Å; L658-E662 PolarHBondContact O-N 3.17Å
659I84.3Confident84.9Confident97 Ų97118.1 Ų118.150%0.49756%0.562SS.*Hα-helixtrans-63.9-40.9178.5-68167.7000110.9Q655 K656 N661 E662Q655-I659 HydrophobicContact CG-CD1 3.89Å; Q655-I659 HydrophobicContact CG-CG1 4.42Å; Q655-I659 WeakPolarHBondContact O-CG1 3.4Å; Q655-I659 PolarHBondContact O-N 3.45Å; K656-I659 PolarHBondContact O-N 2.84Å; I659-N661 PolarHBondContact O-N 2.86Å; I659-E662 PolarHBondContact O-N 2.93Å
660E85.3Confident84.8Confident146 Ų146114.1 Ų114.168%0.68255%0.552SS**Hα-helixtrans-61-32.8174.8-73.7169.2-175.100111.8K656 L658K656-E660 WeakPolarHBondContact O-CB 3.44Å; K656-E660 WeakPolarHBondContact O-CG 3.17Å; K656-E660 PolarHBondContact O-N 2.89Å; L658-E660 VanDerWaalsContact C-N 3.34Å; L658-E660 PolarHBondContact O-N 3.37Å
661N85.5Confident84.8Confident102 Ų102116.7 Ų116.755%0.54556%0.563SS.*Hα-helixtrans-97-12.3-177.9-69.3-29.2000114.9R657 L658 I659 K663 F664 G665R657-N661 WeakPolarHBondContact O-CB 3.34Å; R657-N661 VanDerWaalsContact O-CG 3.28Å; R657-N661 PolarHBondContact O-N 3.03Å; R657-N661 PolarHBondContact O-ND2 3.39Å; L658-N661 CarbonylContact O-C 3.6Å; L658-N661 PolarHBondContact O-N 3.34Å; L658-N661 VanDerWaalsContact O-N 3.11Å; I659-N661 PolarHBondContact O-N 2.86Å; N661-K663 PolarHBondContact O-N 3.31Å; N661-F664 WeakPolarHBondContact O-CB 3.37Å; N661-F664 PolarHBondContact O-N 2.92Å; N661-F664 VanDerWaalsContact O-N 3.07Å; N661-G665 PolarHBondContact O-N 3.28Å
662E80.2Confident84.9Confident110 Ų110119.8 Ų119.851%0.51457%0.568SS.*Hα-helixtrans-58.6-46-172.6-177.6-175.7177.100112.2L658 I659 F664 G665 L666L658-E662 WeakPolarHBondContact O-CA 3.29Å; L658-E662 WeakPolarHBondContact O-CB 3.42Å; L658-E662 PolarHBondContact O-N 3.17Å; I659-E662 PolarHBondContact O-N 2.93Å; E662-F664 PolarHBondContact O-N 3.35Å; E662-G665 PolarHBondContact O-N 3.49Å; E662-L666 HydrophobicContact CG-CD1 3.92Å; E662-L666 HydrophobicContact CG-CG 4.33Å; E662-L666 WeakPolarHBondContact O-CB 3.35Å; E662-L666 WeakPolarHBondContact O-CG 3.24Å; E662-L666 PolarHBondContact O-N 2.87Å
663K81Confident84.9Confident177 Ų177117.4 Ų117.477%0.7756%0.561SS**Hα-helixtrans-61.6-32.7178.8-70.7-175.9179.2178.10112.4N661 K667N661-K663 PolarHBondContact O-N 3.31Å; K663-K667 WeakPolarHBondContact O-CG 3.48Å
664F82.3Confident85Confident153 Ų153115.5 Ų115.567%0.67156%0.555SS**Hα-helixtrans-77.5-44.2177.5-169.2-94.1000110.7N661 E662 K667 Q668N661-F664 WeakPolarHBondContact O-CB 3.37Å; N661-F664 PolarHBondContact O-N 2.92Å; N661-F664 VanDerWaalsContact O-N 3.07Å; E662-F664 PolarHBondContact O-N 3.35Å; F664-K667 PolarHBondContact O-N 2.9Å; F664-Q668 PolarHBondContact O-N 3.32Å; F664-Q668 VanDerWaalsContact O-N 3.12Å
665G81.5Confident85.1Confident28 Ų28113.9 Ų113.929%0.28955%0.55SS..Hα-helixtrans-61.6-43.9177.100000113.6N661 E662 K667 Q668 V669N661-G665 PolarHBondContact O-N 3.28Å; E662-G665 PolarHBondContact O-N 3.49Å; G665-K667 PolarHBondContact O-N 3.36Å; G665-Q668 WeakPolarHBondContact O-CB 3.4Å; G665-Q668 PolarHBondContact O-N 3.33Å; G665-V669 WeakPolarHBondContact O-CG2 3.38Å; G665-V669 PolarHBondContact O-N 3.32Å
666L83.9Confident85.2Confident107 Ų107113.2 Ų113.256%0.5655%0.549SS*.Hα-helixtrans-64.2-39.7179-74.5172.8000112.8E662 Q668 V669 S670E662-L666 HydrophobicContact CG-CD1 3.92Å; E662-L666 HydrophobicContact CG-CG 4.33Å; E662-L666 WeakPolarHBondContact O-CB 3.35Å; E662-L666 WeakPolarHBondContact O-CG 3.24Å; E662-L666 PolarHBondContact O-N 2.87Å; L666-Q668 VanDerWaalsContact C-N 3.32Å; L666-V669 PolarHBondContact O-N 3.25Å; L666-S670 PolarHBondContact O-N 3.41Å
667K83.5Confident85Confident149 Ų149113.7 Ų113.765%0.64855%0.547SS*.Hα-helixtrans-62.4-41.6173.3-77.1-177.8178.3-1760111.4K663 F664 G665 S670 L671K663-K667 WeakPolarHBondContact O-CG 3.48Å; F664-K667 PolarHBondContact O-N 2.9Å; G665-K667 PolarHBondContact O-N 3.36Å; K667-S670 PolarHBondContact O-N 3.12Å; K667-L671 WeakPolarHBondContact O-CD1 3.44Å; K667-L671 WeakPolarHBondContact O-CG 3.49Å; K667-L671 PolarHBondContact O-N 2.88Å
668Q86.2Confident85.1Confident105 Ų105110 Ų11049%0.49154%0.54SS..Hα-helixtrans-63.7-41.7177.2-167.7178.814.900111.5F664 G665 L666 L671 W672F664-Q668 PolarHBondContact O-N 3.32Å; F664-Q668 VanDerWaalsContact O-N 3.12Å; G665-Q668 WeakPolarHBondContact O-CB 3.4Å; G665-Q668 PolarHBondContact O-N 3.33Å; L666-Q668 VanDerWaalsContact C-N 3.32Å; Q668-L671 PolarHBondContact O-N 2.63Å; Q668-W672 PolarHBondContact O-N 2.65Å; Q668-W672 VanDerWaalsContact O-N 3.14Å
669V85.6Confident85.3Confident80 Ų80108.5 Ų108.549%0.48553%0.532SS..Hα-helixtrans-65.9-41.8178.21720000112.2G665 L666 L671 W672 I673G665-V669 WeakPolarHBondContact O-CG2 3.38Å; G665-V669 PolarHBondContact O-N 3.32Å; L666-V669 PolarHBondContact O-N 3.25Å; V669-L671 VanDerWaalsContact C-N 3.33Å; V669-L671 PolarHBondContact O-N 2.7Å; V669-W672 PolarHBondContact O-N 3.08Å; V669-I673 HydrophobicContact CG1-CD1 3.81Å; V669-I673 HydrophobicContact CG1-CG1 4.37Å; V669-I673 WeakPolarHBondContact O-CG1 3.27Å; V669-I673 PolarHBondContact O-N 3.27Å
670S86.4Confident85.3Confident59 Ų59109.7 Ų109.741%0.41354%0.536SS..Hα-helixtrans-62.8-42.6178.596.40000111.5L666 K667 W672 I673 D674L666-S670 PolarHBondContact O-N 3.41Å; K667-S670 PolarHBondContact O-N 3.12Å; S670-W672 VanDerWaalsContact C-N 3.28Å; S670-W672 PolarHBondContact O-N 3.26Å; S670-I673 PolarHBondContact O-N 2.84Å; S670-D674 PolarHBondContact O-N 2.88Å
671L87.3Confident85.3Confident122 Ų122108 Ų10864%0.63953%0.53SS*.Hα-helixtrans-59.8-38.5175.9-71.6166.9000111.9K667 Q668 V669 L675K667-L671 WeakPolarHBondContact O-CD1 3.44Å; K667-L671 WeakPolarHBondContact O-CG 3.49Å; K667-L671 PolarHBondContact O-N 2.88Å; Q668-L671 PolarHBondContact O-N 2.63Å; V669-L671 VanDerWaalsContact C-N 3.33Å; V669-L671 PolarHBondContact O-N 2.7Å; L671-L675 WeakPolarHBondContact O-CB 3.46Å; L671-L675 PolarHBondContact O-N 3.27Å; L671-L675 VanDerWaalsContact O-N 3.1Å
672W88.2Confident85.3Confident151 Ų151109.6 Ų109.657%0.57253%0.532SS*.Hα-helixtrans-69.8-38.6176-86.4112.8000113.4Q668 V669 S670 L675 L676Q668-W672 PolarHBondContact O-N 2.65Å; Q668-W672 VanDerWaalsContact O-N 3.14Å; V669-W672 PolarHBondContact O-N 3.08Å; S670-W672 VanDerWaalsContact C-N 3.28Å; S670-W672 PolarHBondContact O-N 3.26Å; W672-L675 HydrophobicContact CE3-CD2 3.78Å; W672-L675 HydrophobicContact CH2-CD2 4.48Å; W672-L675 HydrophobicContact CZ3-CD2 3.63Å; W672-L675 PolarHBondContact O-N 3.46Å; W672-L676 WeakPolarHBondContact O-CG 3.21Å; W672-L676 PolarHBondContact O-N 3.13Å
673I88Confident85.5Confident80 Ų80109.8 Ų109.841%0.4153%0.533SS..Hα-helixtrans-66.6-43.5177.1-68.9169.4000110.8V669 S670 L675 L676 R677V669-I673 HydrophobicContact CG1-CD1 3.81Å; V669-I673 HydrophobicContact CG1-CG1 4.37Å; V669-I673 WeakPolarHBondContact O-CG1 3.27Å; V669-I673 PolarHBondContact O-N 3.27Å; S670-I673 PolarHBondContact O-N 2.84Å; I673-L675 VanDerWaalsContact C-N 3.31Å; I673-L675 PolarHBondContact O-N 2.92Å; I673-L676 PolarHBondContact O-N 2.8Å; I673-R677 PolarHBondContact O-N 3.39Å
674D87.5Confident85.6Confident91 Ų91107.6 Ų107.649%0.48753%0.527SS..Hα-helixtrans-64.5-38.5178.1-69.3-24.5000111.3S670 R677 L678S670-D674 PolarHBondContact O-N 2.88Å; D674-R677 PolarHBondContact O-N 3.32Å; D674-L678 WeakPolarHBondContact O-CB 3.31Å; D674-L678 PolarHBondContact O-N 2.86Å
675L88.7Confident85.5Confident79 Ų79104.5 Ų104.541%0.41452%0.521SS..Hα-helixtrans-61.9-45.1173.1-172.776.3000111.8L671 W672 I673 L678 L679L671-L675 WeakPolarHBondContact O-CB 3.46Å; L671-L675 PolarHBondContact O-N 3.27Å; L671-L675 VanDerWaalsContact O-N 3.1Å; W672-L675 HydrophobicContact CE3-CD2 3.78Å; W672-L675 HydrophobicContact CH2-CD2 4.48Å; W672-L675 HydrophobicContact CZ3-CD2 3.63Å; W672-L675 PolarHBondContact O-N 3.46Å; I673-L675 VanDerWaalsContact C-N 3.31Å; I673-L675 PolarHBondContact O-N 2.92Å; L675-L678 PolarHBondContact O-N 2.83Å; L675-L679 HydrophobicContact CG-CD1 4.32Å; L675-L679 WeakPolarHBondContact O-CG 3.28Å; L675-L679 PolarHBondContact O-N 3.31Å
676L87.1Confident85.6Confident97 Ų97111.9 Ų111.951%0.50854%0.54SS..Hα-helixtrans-62.6-45.7178.2-77.3170.2000111.9W672 I673 L678 L679 E680W672-L676 WeakPolarHBondContact O-CG 3.21Å; W672-L676 PolarHBondContact O-N 3.13Å; I673-L676 PolarHBondContact O-N 2.8Å; L676-L678 VanDerWaalsContact C-N 3.31Å; L676-L678 PolarHBondContact O-N 2.96Å; L676-L679 PolarHBondContact O-N 3.19Å; L676-L679 VanDerWaalsContact O-N 3.13Å; L676-E680 PolarHBondContact O-N 3.4Å
677R83.5Confident85.4Confident155 Ų155111.2 Ų111.259%0.58553%0.534SS*.Hα-helixtrans-60-41175.6-78.2-178.8177.6178.4-0.4112.5I673 D674 L679 E680 I681I673-R677 PolarHBondContact O-N 3.39Å; D674-R677 PolarHBondContact O-N 3.32Å; R677-L679 VanDerWaalsContact C-N 3.28Å; R677-L679 PolarHBondContact O-N 3.33Å; R677-E680 PolarHBondContact O-N 3.2Å; R677-I681 VanDerWaalsContact O-CG1 3.29Å; R677-I681 WeakPolarHBondContact O-CG1 3.45Å; R677-I681 PolarHBondContact O-N 3.48Å
678L88.1Confident85.2Confident98 Ų98109.5 Ų109.551%0.51353%0.53SS..Hα-helixtrans-63.3-38.2177.1-161.994.1000111.4D674 L675 L676 K682D674-L678 WeakPolarHBondContact O-CB 3.31Å; D674-L678 PolarHBondContact O-N 2.86Å; L675-L678 PolarHBondContact O-N 2.83Å; L676-L678 VanDerWaalsContact C-N 3.31Å; L676-L678 PolarHBondContact O-N 2.96Å; L678-K682 WeakPolarHBondContact O-CB 3.44Å; L678-K682 WeakPolarHBondContact O-CG 3.47Å; L678-K682 PolarHBondContact O-N 2.94Å; L678-K682 VanDerWaalsContact O-N 3.1Å
679L87.6Confident84.8Confident93 Ų93108.6 Ų108.649%0.48753%0.528SS..Hα-helixtrans-70.2-41.4177.1-70.8171.5000112.1L675 L676 R677 K682 Q683L675-L679 HydrophobicContact CG-CD1 4.32Å; L675-L679 WeakPolarHBondContact O-CG 3.28Å; L675-L679 PolarHBondContact O-N 3.31Å; L676-L679 PolarHBondContact O-N 3.19Å; L676-L679 VanDerWaalsContact O-N 3.13Å; R677-L679 VanDerWaalsContact C-N 3.28Å; R677-L679 PolarHBondContact O-N 3.33Å; L679-K682 PolarHBondContact O-N 2.89Å; L679-Q683 WeakPolarHBondContact O-CB 3.43Å; L679-Q683 PolarHBondContact O-N 2.81Å
680E85Confident84.4Confident121 Ų121108.4 Ų108.457%0.56553%0.525SS*.Hα-helixtrans-61.8-45.2175-75.7177.6171.700111.9L676 R677 K682 Q683 M684L676-E680 PolarHBondContact O-N 3.4Å; R677-E680 PolarHBondContact O-N 3.2Å; E680-K682 VanDerWaalsContact C-N 3.33Å; E680-K682 PolarHBondContact O-N 3.34Å; E680-Q683 WeakPolarHBondContact O-CB 3.4Å; E680-Q683 PolarHBondContact O-N 2.9Å; E680-Q683 VanDerWaalsContact O-N 3.15Å; E680-M684 PolarHBondContact O-N 3.35Å
681I84.7Confident83.7Confident111 Ų111111 Ų11157%0.56953%0.53SS*.Hα-helixtrans-62.3-42.7176.8-67.8167.4000110.4R677 Q683 M684 T685R677-I681 VanDerWaalsContact O-CG1 3.29Å; R677-I681 WeakPolarHBondContact O-CG1 3.45Å; R677-I681 PolarHBondContact O-N 3.48Å; I681-Q683 VanDerWaalsContact C-N 3.3Å; I681-Q683 PolarHBondContact O-N 3.28Å; I681-M684 PolarHBondContact O-N 3.5Å; I681-T685 WeakPolarHBondContact O-CB 3.36Å; I681-T685 PolarHBondContact O-N 2.87Å; I681-T685 PolarHBondContact O-OG1 3.15Å
682K85.3Confident82.6Confident136 Ų136113.6 Ų113.659%0.59153%0.531SS*.Hα-helixtrans-62.6-37.6175.3-80.4-176.4177.6-173.60112.2L678 L679 E680 R686L678-K682 WeakPolarHBondContact O-CB 3.44Å; L678-K682 WeakPolarHBondContact O-CG 3.47Å; L678-K682 PolarHBondContact O-N 2.94Å; L678-K682 VanDerWaalsContact O-N 3.1Å; L679-K682 PolarHBondContact O-N 2.89Å; E680-K682 VanDerWaalsContact C-N 3.33Å; E680-K682 PolarHBondContact O-N 3.34Å; K682-R686 WeakPolarHBondContact O-CB 3.39Å; K682-R686 PolarHBondContact O-N 3.19Å; K682-R686 VanDerWaalsContact O-N 3.13Å
683Q84.6Confident81.7Confident113 Ų113113.1 Ų113.153%0.52854%0.536SS..Hα-helixtrans-65.7-51.3176.2-177.6177.7-12.800111.3L679 E680 I681 T685 R686 E687L679-Q683 WeakPolarHBondContact O-CB 3.43Å; L679-Q683 PolarHBondContact O-N 2.81Å; E680-Q683 WeakPolarHBondContact O-CB 3.4Å; E680-Q683 PolarHBondContact O-N 2.9Å; E680-Q683 VanDerWaalsContact O-N 3.15Å; I681-Q683 VanDerWaalsContact C-N 3.3Å; I681-Q683 PolarHBondContact O-N 3.28Å; Q683-T685 VanDerWaalsContact C-N 3.31Å; Q683-T685 PolarHBondContact O-N 2.85Å; Q683-R686 WeakPolarHBondContact O-CB 3.38Å; Q683-R686 PolarHBondContact O-N 3.26Å; Q683-E687 WeakPolarHBondContact CG-OE1 3.38Å; Q683-E687 PolarHBondContact NE2-OE1 3.4Å; Q683-E687 PolarHBondContact O-N 3.49Å
684M82Confident80.7Confident132 Ų132117.8 Ų117.865%0.6555%0.553SS**Hα-helixtrans-59.9-41178.6-75.6-164.8166.600112.4E680 I681 R686 E687 M688E680-M684 PolarHBondContact O-N 3.35Å; I681-M684 PolarHBondContact O-N 3.5Å; M684-R686 VanDerWaalsContact C-N 3.27Å; M684-R686 PolarHBondContact O-N 2.82Å; M684-E687 PolarHBondContact O-N 2.95Å; M684-M688 WeakPolarHBondContact O-CB 3.36Å; M684-M688 VanDerWaalsContact O-CG 3.32Å; M684-M688 WeakPolarHBondContact O-CG 3.36Å; M684-M688 PolarHBondContact O-N 3.48Å
685T81.4Confident79.2Confident88 Ų88121.1 Ų121.154%0.5456%0.563SS.*Hα-helixtrans-63.3-37.5177.5-46.60000110.9I681 Q683 N689I681-T685 WeakPolarHBondContact O-CB 3.36Å; I681-T685 PolarHBondContact O-N 2.87Å; I681-T685 PolarHBondContact O-OG1 3.15Å; Q683-T685 VanDerWaalsContact C-N 3.31Å; Q683-T685 PolarHBondContact O-N 2.85Å; T685-N689 WeakPolarHBondContact O-CB 3.25Å; T685-N689 PolarHBondContact O-N 3.21Å
686R82.3Confident77.6Confident183 Ų183120.6 Ų120.669%0.69158%0.578SS**Hα-helixtrans-71.4-38.3177.2-169.4176.8-176.9-179.50.1112.5K682 Q683 M684 N689 N690K682-R686 WeakPolarHBondContact O-CB 3.39Å; K682-R686 PolarHBondContact O-N 3.19Å; K682-R686 VanDerWaalsContact O-N 3.13Å; Q683-R686 WeakPolarHBondContact O-CB 3.38Å; Q683-R686 PolarHBondContact O-N 3.26Å; M684-R686 VanDerWaalsContact C-N 3.27Å; M684-R686 PolarHBondContact O-N 2.82Å; R686-N689 PolarHBondContact O-N 3.4Å; R686-N690 WeakPolarHBondContact O-CB 3.36Å; R686-N690 VanDerWaalsContact O-CG 3.27Å; R686-N690 PolarHBondContact O-N 2.84Å
687E81.1Confident76.3Confident93 Ų93118.1 Ų118.144%0.43558%0.575SS.*Hα-helixtrans-64.5-47.5174.7-73.4171.2-17600111Q683 M684 N689 N690 E691Q683-E687 WeakPolarHBondContact CG-OE1 3.38Å; Q683-E687 PolarHBondContact NE2-OE1 3.4Å; Q683-E687 PolarHBondContact O-N 3.49Å; M684-E687 PolarHBondContact O-N 2.95Å; E687-N689 VanDerWaalsContact C-N 3.3Å; E687-N689 PolarHBondContact O-N 2.92Å; E687-N690 PolarHBondContact O-N 3.11Å; E687-E691 WeakPolarHBondContact O-CG 3.41Å; E687-E691 PolarHBondContact O-N 3.42Å
688M78.1Confident74.9Confident112 Ų112119.3 Ų119.355%0.55259%0.587SS**Hα-helixtrans-59.3-38.1174.1-74.6-75.3-67.100112.6M684 R692M684-M688 WeakPolarHBondContact O-CB 3.36Å; M684-M688 VanDerWaalsContact O-CG 3.32Å; M684-M688 WeakPolarHBondContact O-CG 3.36Å; M684-M688 PolarHBondContact O-N 3.48Å; M688-R692 WeakPolarHBondContact O-CG 3.36Å; M688-R692 PolarHBondContact O-N 3.38Å
689N78Confident73.1Confident86 Ų86124.1 Ų124.146%0.4660%0.6SS.*Hα-helixtrans-71.6-40.3177.3-133.433.2000111.7T685 R686 E687 E691 R692 E693T685-N689 WeakPolarHBondContact O-CB 3.25Å; T685-N689 PolarHBondContact O-N 3.21Å; R686-N689 PolarHBondContact O-N 3.4Å; E687-N689 VanDerWaalsContact C-N 3.3Å; E687-N689 PolarHBondContact O-N 2.92Å; N689-E691 VanDerWaalsContact C-N 3.3Å; N689-E691 PolarHBondContact O-N 3.2Å; N689-R692 PolarHBondContact O-N 3.35Å; N689-E693 WeakPolarHBondContact O-CG 3.46Å; N689-E693 PolarHBondContact O-N 2.89Å
690N78.4Confident71.4Confident77 Ų77122.7 Ų122.741%0.41260%0.602SS.*Hα-helixtrans-63.5-35.8173.9-76.7-9.3000112R686 E687 K694R686-N690 WeakPolarHBondContact O-CB 3.36Å; R686-N690 VanDerWaalsContact O-CG 3.27Å; R686-N690 PolarHBondContact O-N 2.84Å; E687-N690 PolarHBondContact O-N 3.11Å; N690-K694 WeakPolarHBondContact O-CG 3.35Å; N690-K694 PolarHBondContact O-N 3.43Å; N690-K694 VanDerWaalsContact O-N 3.08Å
691E70.5Confident69.7Low114 Ų114124.3 Ų124.353%0.53361%0.614SS.*Hα-helixtrans-68.2-42.2173.5-73.9-176.2169.900111.5E687 N689 E693 K694 F695E687-E691 WeakPolarHBondContact O-CG 3.41Å; E687-E691 PolarHBondContact O-N 3.42Å; N689-E691 VanDerWaalsContact C-N 3.3Å; N689-E691 PolarHBondContact O-N 3.2Å; E691-E693 VanDerWaalsContact C-N 3.32Å; E691-E693 PolarHBondContact O-N 2.93Å; E691-K694 PolarHBondContact O-N 2.91Å; E691-F695 WeakPolarHBondContact O-CD2 3.28Å; E691-F695 PolarHBondContact O-N 3.22Å; E691-F695 VanDerWaalsContact O-N 3.13Å
692R64.9Low67.8Low175 Ų175124 Ų12466%0.6662%0.617SS**Hα-helixtrans-60.7-38.9173.4-80.4179.6166.4-169.9-4.6112.9M688 N689M688-R692 WeakPolarHBondContact O-CG 3.36Å; M688-R692 PolarHBondContact O-N 3.38Å; N689-R692 PolarHBondContact O-N 3.35Å
693E69.5Low66Low142 Ų142123.9 Ų123.966%0.66463%0.628SS**Hα-helixtrans-67.8-36.1175.2-76.2-178.3177.800112.2N689 E691N689-E693 WeakPolarHBondContact O-CG 3.46Å; N689-E693 PolarHBondContact O-N 2.89Å; E691-E693 VanDerWaalsContact C-N 3.32Å; E691-E693 PolarHBondContact O-N 2.93Å
694K65.6Low64.1Low178 Ų178128.5 Ų128.577%0.77465%0.646SS**Hα-helixtrans-70.3-28.5177.3-78178.3-179.8179.10114.2N690 E691N690-K694 WeakPolarHBondContact O-CG 3.35Å; N690-K694 PolarHBondContact O-N 3.43Å; N690-K694 VanDerWaalsContact O-N 3.08Å; E691-K694 PolarHBondContact O-N 2.91Å
695F57.3Low62.2Low160 Ų160128.9 Ų128.970%0.70265%0.65SS**THydrogen-bonded Turntrans-93.816.3-177.9-80.6-77.9000114.8E691 A700E691-F695 WeakPolarHBondContact O-CD2 3.28Å; E691-F695 PolarHBondContact O-N 3.22Å; E691-F695 VanDerWaalsContact O-N 3.13Å; F695-A700 VanDerWaalsContact O-CB 3.24Å; F695-A700 WeakPolarHBondContact O-CB 3.4Å
696G55.3Low60.5Low69 Ų69133.1 Ų133.171%0.71166%0.663SS**THydrogen-bonded Turntrans88.126.6163.500000116.5
697G58.7Low58.5Low44 Ų44133.8 Ų133.845%0.45467%0.671SS.*SBendtrans74.9178.1169.900000114.8Y699 A700G697-Y699 PolarHBondContact O-N 3.44Å; G697-A700 PolarHBondContact O-N 3.08Å
698E54.2Low56.6Low181 Ų181137 Ų13785%0.84669%0.692SS**THydrogen-bonded Turntrans-53.4-0.7-151.9-75.6-179.5140.100119.6
699Y51.4Low55Low198 Ų198143.2 Ų143.278%0.77671%0.709SS**THydrogen-bonded Turntrans-125.83.5-173.1-65.5-79.7000115.7G697 N701G697-Y699 PolarHBondContact O-N 3.44Å; Y699-N701 VanDerWaalsContact C-N 3.31Å; Y699-N701 PolarHBondContact O-N 3.26Å
700A51.7Low53.2Low63 Ų63147.1 Ų147.152%0.52173%0.726SS.*THydrogen-bonded Turntrans-72.3-11.7-172.500000116.2F695 G697F695-A700 VanDerWaalsContact O-CB 3.24Å; F695-A700 WeakPolarHBondContact O-CB 3.4Å; G697-A700 PolarHBondContact O-N 3.08Å
701N48.8Very low51.5Low156 Ų156151.9 Ų151.983%0.83475%0.751SS**THydrogen-bonded Turntrans-127.925.4-172.7-87-22.2000115.5Y699Y699-N701 VanDerWaalsContact C-N 3.31Å; Y699-N701 PolarHBondContact O-N 3.26Å
702V44.4Very low49.9Very low104 Ų104157.9 Ų157.963%0.6379%0.785SS**  trans-103.574.5175.9-167.10000111.2
703T48.5Very low49.2Very low134 Ų134157 Ų15782%0.82279%0.792SS**SBendtrans-142.3116.5158.649.90000109.8
704K43.6Very low48.1Very low209 Ų209157.8 Ų157.891%0.90980%0.798SS**  trans89.867.9-179.4-63-177.6176.4176.90116.7
705I43Very low47.1Very low141 Ų141156.7 Ų156.772%0.72380%0.8SS**  trans-57.2153.3132.5-66.7157.4000108.5
706E44.3Very low46.5Very low176 Ų176156.5 Ų156.582%0.82281%0.805SS**  trans96.377.5172.2-49.9-174.1173.300117.1
707K41.2Very low46Very low197 Ų197161.9 Ų161.986%0.85781%0.811SS**SBend-170.3141.9103.2-94.4167-176.1-179.20108.7
708D41Very low45.1Very low162 Ų162169.8 Ų169.887%0.86684%0.835SS**  trans85.957.4175.5-51.6-12.8000116.4
709R44.8Very low44.5Very low241 Ų241169 Ų16991%0.90983%0.834SS**  trans-104.6144.7135.3-99.1-173.5172.4-174.9-1.9107.7
710M40.5Very low43.9Very low168 Ų168166.8 Ų166.883%0.82884%0.839SS**  trans9959.5172-54.4-77.1-75.800116.2
711L41.6Very low43.3Very low178 Ų178175.4 Ų175.493%0.93287%0.865SS**  -125.2121.8122.8-82.2167.1000105.9
712L37.8Very low42.8Very low239 Ų239177.2 Ų177.2100%1.25187%0.868SS**  trans-53.60-179.2-87.8149.8000113.4

Retrieved 712 of 712 residues in 302.7 ms (Link to these results)

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