A0A087XTR5_POEFO Loading...

Protein LTV1 homolog

AlphaFold DB , UniProt , Accession A0A087XTR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 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
1M45.6Very low67.5Low228 Ų228173.5 Ų173.5100%1.12382%0.817SS**  0127.80-73.2-168.3169.700108.3
2P54.3Low68.3Low127 Ų127173.8 Ų173.883%0.82581%0.813SS**  trans-74.9128.7-179.230.2-30.3000109.5R4P2-R4 PolarHBondContact O-N 2.77Å; P2-R4 VanDerWaalsContact O-N 3.13Å
3H56.8Low68.9Low187 Ų187176.8 Ų176.887%0.86682%0.822SS**  trans-61113.9177-72.3-82.1000109.9K5H3-K5 PolarHBondContact O-N 3.43Å; H3-K5 VanDerWaalsContact O-N 3.07Å
4R61.6Low69.5Low245 Ų245174.8 Ų174.893%0.92581%0.809SS**  trans-61.7111170.4-79.4-178.1169.5-172.1-3.1108.3P2 K6P2-R4 PolarHBondContact O-N 2.77Å; P2-R4 VanDerWaalsContact O-N 3.13Å; R4-K6 PolarHBondContact O-N 3.04Å
5K68.6Low70.1Confident202 Ų202165.7 Ų165.788%0.87878%0.776SS**PPolyproline II helixtrans-55.9122.2169.6-66.6-176.2179-178.80107.9H3 K7H3-K5 PolarHBondContact O-N 3.43Å; H3-K5 VanDerWaalsContact O-N 3.07Å; K5-K7 PolarHBondContact O-N 2.95Å
6K73.1Confident70.8Confident205 Ų205158.1 Ų158.189%0.89175%0.745SS**PPolyproline II helixtrans-56.8130.5174.2-83.5-179.91761780108.2R4 S8R4-K6 PolarHBondContact O-N 3.04Å; K6-S8 PolarHBondContact O-N 3.08Å
7K71.8Confident71.5Confident206 Ų206152.9 Ų152.990%0.89673%0.726SS**PPolyproline II helixtrans-56.8129.2171.1-67.3-177.8177.9-176.40107.9K5 F9K5-K7 PolarHBondContact O-N 2.95Å; K7-F9 PolarHBondContact O-N 3.08Å
8S73.4Confident72.3Confident95 Ų95147.1 Ų147.166%0.66470%0.698SS**PPolyproline II helixtrans-61.5125.4175.147.80000109K6 I10K6-S8 PolarHBondContact O-N 3.08Å; S8-I10 PolarHBondContact O-N 3.05Å
9F76.4Confident73Confident199 Ų199145.3 Ų145.387%0.87369%0.688SS**SBendtrans-61.2-26.8-179.8175.7-112.4000112.7K7K7-F9 PolarHBondContact O-N 3.08Å
10I79.7Confident73.9Confident101 Ų101144 Ų14452%0.51869%0.685SS.*SBendtrans-129.3133.5-179.3-64161.8000109.5S8 K12 A15S8-I10 PolarHBondContact O-N 3.05Å; I10-K12 PolarHBondContact O-N 2.95Å; I10-A15 HydrophobicContact CG2-CB 4.16Å
11E80.9Confident74.6Confident113 Ų113140.1 Ų140.153%0.52867%0.67SS.*  trans-78.998.2170.2-67.8-176.8-175.600109.6K13 K14 A15E11-K13 PolarHBondContact O-N 2.75Å; E11-K14 HydrophobicContact CB-CB 4.4Å; E11-K14 PolarHBondContact O-N 3.16Å; E11-K14 WeakPolarHBondContact OE2-CD 3.32Å; E11-K14 WeakPolarHBondContact OE2-CE 3.43Å; E11-K14 IonicContact OE2-NZ 2.73Å; E11-K14 PolarHBondContact OE2-NZ 3.12Å; E11-A15 PolarHBondContact O-N 2.98Å
12K77.1Confident76.7Confident178 Ų178134.9 Ų134.977%0.77464%0.643SS**THydrogen-bonded Turntrans-54.8-23.5-177.8-65-174.1177.7-173.20114.6I10I10-K12 PolarHBondContact O-N 2.95Å
13K76.9Confident78.2Confident213 Ų213130.1 Ų130.193%0.92661%0.609SS**THydrogen-bonded Turntrans-78.3-23.4178.4-64.9-170.5176.1-170.10113.6E11E11-K13 PolarHBondContact O-N 2.75Å
14K77.1Confident79.6Confident148 Ų148123.6 Ų123.664%0.64358%0.584SS**THydrogen-bonded Turntrans-104.41.3176-62.6-173.7-173.5149.10112.8E11E11-K14 HydrophobicContact CB-CB 4.4Å; E11-K14 PolarHBondContact O-N 3.16Å; E11-K14 WeakPolarHBondContact OE2-CD 3.32Å; E11-K14 WeakPolarHBondContact OE2-CE 3.43Å; E11-K14 IonicContact OE2-NZ 2.73Å; E11-K14 PolarHBondContact OE2-NZ 3.12Å
15A78Confident80.7Confident38 Ų38117.1 Ų117.131%0.31456%0.564SS.*  trans-83.4124.3-179.200000110.4I10 E11I10-A15 HydrophobicContact CG2-CB 4.16Å; E11-A15 PolarHBondContact O-N 2.98Å
16V81Confident81.5Confident45 Ų45113.6 Ų113.627%0.27355%0.545SS..  trans-93.8137.5170.9-174.10000108.5F18 A115 I117V16-F18 HydrophobicContact CB-CE2 4.02Å; V16-F18 HydrophobicContact CB-CZ 4.33Å; V16-F18 HydrophobicContact CG1-CD2 4.25Å; V16-F18 HydrophobicContact CG1-CE1 4.16Å; V16-F18 HydrophobicContact CG1-CE2 3.55Å; V16-F18 HydrophobicContact CG1-CZ 3.5Å; V16-F18 VanDerWaalsContact CG1-CZ 3.5Å; V16-A115 HydrophobicContact CG2-CB 3.88Å; V16-I117 HydrophobicContact CB-CD1 4.09Å; V16-I117 HydrophobicContact CG1-CD1 4.39Å; V16-I117 HydrophobicContact CG2-CD1 4.02Å
17T83.3Confident82.1Confident70 Ų70104.1 Ų104.143%0.42951%0.505SS..  trans-109.3137.4177.8-55.50000108.3A43T17-A43 HydrophobicContact CG2-CB 3.98Å; T17-A43 WeakPolarHBondContact O-CB 3.42Å; T17-A43 PolarHBondContact O-N 3Å
18F85.9Confident82.7Confident48 Ų4897.1 Ų97.121%0.21148%0.48CS..EExtended strand (participates in β ladder)trans-122.8144.5175.7-63.5-85.7000110.2V16 L40 L41 P42 I117 F124V16-F18 HydrophobicContact CB-CE2 4.02Å; V16-F18 HydrophobicContact CB-CZ 4.33Å; V16-F18 HydrophobicContact CG1-CD2 4.25Å; V16-F18 HydrophobicContact CG1-CE1 4.16Å; V16-F18 HydrophobicContact CG1-CE2 3.55Å; V16-F18 HydrophobicContact CG1-CZ 3.5Å; V16-F18 VanDerWaalsContact CG1-CZ 3.5Å; F18-L40 HydrophobicContact CB-CB 4.03Å; F18-L40 HydrophobicContact CB-CD2 3.98Å; F18-L40 HydrophobicContact CB-CG 4.39Å; F18-L40 HydrophobicContact CD1-CB 3.92Å; F18-L40 HydrophobicContact CG-CB 4.1Å; F18-L40 HydrophobicContact CG-CD1 4.38Å; F18-L41 CarbonylContact C-O 3.57Å; F18-L41 VanDerWaalsContact CA-O 3.27Å; F18-L41 WeakPolarHBondContact CA-O 3.14Å; F18-P42 HydrophobicContact CD1-CB 4.26Å; F18-P42 HydrophobicContact CE1-CB 4.11Å; F18-I117 HydrophobicContact CE2-CD1 3.86Å; F18-I117 HydrophobicContact CZ-CD1 3.76Å; F18-F124 HydrophobicContact CD1-CE1 4.31Å; F18-F124 AromaticContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CZ-CE1 4.12Å
19H86.1Confident83.2Confident112 Ų11295.5 Ų95.552%0.51946%0.464SS..EExtended strand (participates in β ladder)trans-92.8132.4164.6-67.1-59.6000109.1V21 L41 A43H19-V21 HydrophobicContact CB-CG2 4.11Å; H19-L41 PolarHBondContact N-O 3.32Å; H19-L41 PolarHBondContact O-N 3.3Å; H19-A43 VanDerWaalsContact CD2-CB 3.43Å; H19-A43 WeakPolarHBondContact CD2-CB 3.27Å; H19-A43 VanDerWaalsContact NE2-CB 3.3Å; H19-A43 WeakPolarHBondContact NE2-CB 3.4Å
20L90.1Very high83.6Confident119 Ų11988.1 Ų88.162%0.62344%0.44SS*.EExtended strand (participates in β ladder)trans-87.8111.5173-173.868.4000108.3H38 L40L20-H38 HydrophobicContact CD1-CB 3.59Å; L20-H38 HydrophobicContact CG-CB 3.97Å; L20-L40 HydrophobicContact CB-CD2 4.48Å; L20-L40 HydrophobicContact CD1-CD2 3.82Å
21V89.3Confident83.6Confident63 Ų6386.6 Ų86.638%0.38244%0.442SS..EExtended strand (participates in β ladder)trans-124.2157-175.9-173.50000109.6H19 H38 V39 L41H19-V21 HydrophobicContact CB-CG2 4.11Å; V21-H38 CarbonylContact O-C 3.52Å; V21-H38 WeakPolarHBondContact O-CA 3.45Å; V21-V39 PolarHBondContact N-O 2.63Å; V21-V39 PolarHBondContact O-N 2.97Å; V21-L41 HydrophobicContact CB-CD1 4.1Å; V21-L41 HydrophobicContact CG1-CD1 4.45Å; V21-L41 HydrophobicContact CG2-CD1 3.97Å
22H89.6Confident83.7Confident119 Ų11984.9 Ų84.955%0.55144%0.436SS*.EExtended strand (participates in β ladder)trans-64.3149.1170.6-76.1-78.9000111.3H38H22-H38 AromaticContact CD2-CE1 3.98Å; H22-H38 AromaticContact CE1-CE1 3.11Å; H22-H38 PolarHBondContact CE1-CE1 2.71Å; H22-H38 AromaticContact CE1-ND1 3.83Å; H22-H38 AromaticContact CE1-NE2 3.81Å; H22-H38 AromaticContact CG-CE1 3.94Å; H22-H38 AromaticContact CG-ND1 3.93Å; H22-H38 AromaticContact ND1-CE1 3.39Å; H22-H38 PolarHBondContact ND1-CE1 3.21Å; H22-H38 AromaticContact ND1-ND1 3.66Å; H22-H38 AromaticContact NE2-CE1 3.48Å; H22-H38 PolarHBondContact NE2-CE1 3.12Å
23R86.3Confident84Confident27 Ų2786 Ų8610%0.10244%0.444CS..PPolyproline II helixtrans-55.2141.6170.2-79-168.2-171.2-87.6-10.8111.1D27 A30 P36 Q37 V39 S122R23-D27 IonicContact CZ-OD2 3.87Å; R23-D27 IonicContact NH1-OD2 2.87Å; R23-D27 PolarHBondContact NH1-OD2 3.32Å; R23-A30 HydrophobicContact CB-CB 4.49Å; R23-P36 PolarHBondContact NE-O 3.26Å; R23-P36 PolarHBondContact NH2-O 3.32Å; R23-P36 VanDerWaalsContact NH2-O 3.15Å; R23-Q37 PolarHBondContact N-O 2.84Å; R23-V39 HydrophobicContact CG-CG2 3.56Å; R23-S122 PolarHBondContact NH2-O 2.98Å
24S85.6Confident84.4Confident49 Ų4985 Ų8534%0.34344%0.44SS..PPolyproline II helixtrans-62.9147.1173.5179.20000110.5R26 D27S24-R26 PolarHBondContact O-N 3.36Å; S24-R26 PolarHBondContact OG-N 3.07Å; S24-R26 VanDerWaalsContact OG-N 3.13Å; S24-D27 WeakPolarHBondContact O-CB 3.22Å; S24-D27 PolarHBondContact O-N 2.71Å; S24-D27 VanDerWaalsContact O-N 3.16Å
25Q85.2Confident84.7Confident109 Ų10978.7 Ų78.751%0.50942%0.416SS..THydrogen-bonded Turntrans-66.6-15.4169.7-66.6-174.2-200112.7G133 L134Q25-G133 CarbonylContact O-C 3.5Å; Q25-G133 VanDerWaalsContact O-CA 3.32Å; Q25-G133 WeakPolarHBondContact O-CA 3.2Å; Q25-L134 PolarHBondContact O-N 3.22Å
26R85.2Confident85Confident128 Ų12879.4 Ų79.448%0.48342%0.417SS..THydrogen-bonded Turntrans-90.6-8.1175.7-64.8-179.1178.2-178.5-5.3113.1S24 E129 E130S24-R26 PolarHBondContact O-N 3.36Å; S24-R26 PolarHBondContact OG-N 3.07Å; S24-R26 VanDerWaalsContact OG-N 3.13Å; R26-E129 HydrophobicContact CB-CB 4.29Å; R26-E130 WeakPolarHBondContact CB-O 3.43Å; R26-E130 WeakPolarHBondContact CD-O 3.18Å; R26-E130 WeakPolarHBondContact CG-O 3.43Å; R26-E130 PolarHBondContact O-N 3.13Å
27D86.1Confident85.1Confident7 Ų783.9 Ų83.94%0.03744%0.435CS..  trans-77.7123.8175.9179.2-12.4000109R23 S24 L29 A30 S126R23-D27 IonicContact CZ-OD2 3.87Å; R23-D27 IonicContact NH1-OD2 2.87Å; R23-D27 PolarHBondContact NH1-OD2 3.32Å; S24-D27 WeakPolarHBondContact O-CB 3.22Å; S24-D27 PolarHBondContact O-N 2.71Å; S24-D27 VanDerWaalsContact O-N 3.16Å; D27-L29 PolarHBondContact O-N 2.9Å; D27-L29 WeakPolarHBondContact OD1-CB 3.47Å; D27-L29 PolarHBondContact OD1-N 3.32Å; D27-A30 WeakPolarHBondContact O-CB 3.5Å; D27-A30 PolarHBondContact O-N 3.01Å; D27-S126 WeakPolarHBondContact OD1-CB 3.37Å; D27-S126 PolarHBondContact OD1-OG 3.27Å; D27-S126 VanDerWaalsContact OD1-OG 3.08Å
28P83.8Confident85.4Confident58 Ų5884 Ų8438%0.37743%0.431SS..G310 helixtrans-60.4-27.6178.825.3-35.6000113.2A30 F128P28-A30 PolarHBondContact O-N 3.27Å; P28-F128 WeakPolarHBondContact CD-O 3.5Å
29L84.8Confident85.6Confident62 Ų6282 Ų8233%0.32542%0.422SS..G310 helixtrans-77.5-2.1177.5-64.6172.9000112.9D27 A31 D32 A35D27-L29 PolarHBondContact O-N 2.9Å; D27-L29 WeakPolarHBondContact OD1-CB 3.47Å; D27-L29 PolarHBondContact OD1-N 3.32Å; L29-A31 PolarHBondContact O-N 3.43Å; L29-D32 PolarHBondContact O-N 2.98Å; L29-A35 HydrophobicContact CB-CB 4.27Å
30A83.9Confident85.6Confident44 Ų4478.3 Ų78.336%0.36441%0.406SS..G310 helixtrans-64.7-24.8175.500000113.1R23 D27 P28R23-A30 HydrophobicContact CB-CB 4.49Å; D27-A30 WeakPolarHBondContact O-CB 3.5Å; D27-A30 PolarHBondContact O-N 3.01Å; P28-A30 PolarHBondContact O-N 3.27Å
31A79.7Confident85.4Confident69 Ų6976.3 Ų76.357%0.5740%0.396SS*.G310 helixtrans-91.3-8.6178.700000114L29 L134L29-A31 PolarHBondContact O-N 3.43Å; A31-L134 HydrophobicContact CB-CD2 4.04Å
32D83.6Confident85Confident76 Ų7675.5 Ų75.541%0.40639%0.391SS..  trans-86.5115.7-177.8-176.85.5000111.2L29 K34 A35L29-D32 PolarHBondContact O-N 2.98Å; D32-K34 PolarHBondContact O-N 3.27Å; D32-K34 VanDerWaalsContact O-N 3.16Å; D32-K34 WeakPolarHBondContact OD1-CB 3.41Å; D32-K34 PolarHBondContact OD1-N 2.82Å; D32-A35 HydrophobicContact CB-CB 4.11Å; D32-A35 PolarHBondContact O-N 2.86Å; D32-A35 VanDerWaalsContact O-N 3.12Å
33E82.6Confident84.4Confident202 Ų20270.8 Ų70.894%0.94437%0.373SS*.THydrogen-bonded Turntrans-62.5-19.6177.3-62.8-173165.600113.5
34K84.7Confident83.5Confident191 Ų19172.8 Ų72.883%0.8340%0.395SS*.THydrogen-bonded Turntrans-84.5-19.5178.8-165.4177.7178.3-176.60112.6D32D32-K34 PolarHBondContact O-N 3.27Å; D32-K34 VanDerWaalsContact O-N 3.16Å; D32-K34 WeakPolarHBondContact OD1-CB 3.41Å; D32-K34 PolarHBondContact OD1-N 2.82Å
35A83.7Confident82.5Confident17 Ų1777.3 Ų77.314%0.1441%0.409CS..SBendtrans-83.4145.2-179.900000111.2L29 D32L29-A35 HydrophobicContact CB-CB 4.27Å; D32-A35 HydrophobicContact CB-CB 4.11Å; D32-A35 PolarHBondContact O-N 2.86Å; D32-A35 VanDerWaalsContact O-N 3.12Å
36P83.9Confident81.4Confident52 Ų5275.3 Ų75.334%0.33840%0.404SS..  trans-68.1135.4177.625.9-32000110.6R23 H38 S122R23-P36 PolarHBondContact NE-O 3.26Å; R23-P36 PolarHBondContact NH2-O 3.32Å; R23-P36 VanDerWaalsContact NH2-O 3.15Å; P36-H38 PolarHBondContact O-N 3.32Å; P36-H38 VanDerWaalsContact O-N 3.17Å; P36-S122 WeakPolarHBondContact CD-OG 3.34Å
37Q85.1Confident80.5Confident140 Ų14073.3 Ų73.365%0.65440%0.403SS*.SBendtrans-65.6-18.2-178.1-164.3176.816.900114.2R23R23-Q37 PolarHBondContact N-O 2.84Å
38H88.8Confident79.8Confident73 Ų7375.3 Ų75.334%0.33842%0.42SS..EExtended strand (participates in β ladder)trans-115.2144.8-179.7-61.8-81.4000111.6L20 V21 H22 P36L20-H38 HydrophobicContact CD1-CB 3.59Å; L20-H38 HydrophobicContact CG-CB 3.97Å; V21-H38 CarbonylContact O-C 3.52Å; V21-H38 WeakPolarHBondContact O-CA 3.45Å; H22-H38 AromaticContact CD2-CE1 3.98Å; H22-H38 AromaticContact CE1-CE1 3.11Å; H22-H38 PolarHBondContact CE1-CE1 2.71Å; H22-H38 AromaticContact CE1-ND1 3.83Å; H22-H38 AromaticContact CE1-NE2 3.81Å; H22-H38 AromaticContact CG-CE1 3.94Å; H22-H38 AromaticContact CG-ND1 3.93Å; H22-H38 AromaticContact ND1-CE1 3.39Å; H22-H38 PolarHBondContact ND1-CE1 3.21Å; H22-H38 AromaticContact ND1-ND1 3.66Å; H22-H38 AromaticContact NE2-CE1 3.48Å; H22-H38 PolarHBondContact NE2-CE1 3.12Å; P36-H38 PolarHBondContact O-N 3.32Å; P36-H38 VanDerWaalsContact O-N 3.17Å
39V89.4Confident79.3Confident6 Ų677.5 Ų77.54%0.03643%0.429CS..EExtended strand (participates in β ladder)trans-123.2146.5-178.5161.20000110.1V21 R23 L41 V123 F124 A125V21-V39 PolarHBondContact N-O 2.63Å; V21-V39 PolarHBondContact O-N 2.97Å; R23-V39 HydrophobicContact CG-CG2 3.56Å; V39-L41 HydrophobicContact CG1-CD2 4.42Å; V39-V123 WeakPolarHBondContact CA-O 3.33Å; V39-F124 VanDerWaalsContact CG1-C 3.49Å; V39-A125 HydrophobicContact CG1-CB 4.03Å
40L87.2Confident79Confident34 Ų3479.9 Ų79.918%0.17844%0.436CS..EExtended strand (participates in β ladder)trans-86.2113.6172.8-65.3-177.8000110.6F18 L20 L119 V123 F124F18-L40 HydrophobicContact CB-CB 4.03Å; F18-L40 HydrophobicContact CB-CD2 3.98Å; F18-L40 HydrophobicContact CB-CG 4.39Å; F18-L40 HydrophobicContact CD1-CB 3.92Å; F18-L40 HydrophobicContact CG-CB 4.1Å; F18-L40 HydrophobicContact CG-CD1 4.38Å; L20-L40 HydrophobicContact CB-CD2 4.48Å; L20-L40 HydrophobicContact CD1-CD2 3.82Å; L40-L119 HydrophobicContact CD1-CD1 3.99Å; L40-V123 HydrophobicContact CB-CG1 4.31Å; L40-V123 HydrophobicContact CD1-CG1 3.46Å; L40-V123 VanDerWaalsContact CD1-CG1 3.46Å; L40-V123 HydrophobicContact CG-CG1 3.6Å; L40-V123 PolarHBondContact N-O 2.83Å; L40-F124 HydrophobicContact CB-CD1 4.21Å; L40-F124 HydrophobicContact CB-CE1 4.14Å
41L84.2Confident78.8Confident77 Ų7781.3 Ų81.340%0.40343%0.432SS..EExtended strand (participates in β ladder)trans-96.8128.7170.4-68.7179000110.1F18 H19 V21 V39 A43F18-L41 CarbonylContact C-O 3.57Å; F18-L41 VanDerWaalsContact CA-O 3.27Å; F18-L41 WeakPolarHBondContact CA-O 3.14Å; H19-L41 PolarHBondContact N-O 3.32Å; H19-L41 PolarHBondContact O-N 3.3Å; V21-L41 HydrophobicContact CB-CD1 4.1Å; V21-L41 HydrophobicContact CG1-CD1 4.45Å; V21-L41 HydrophobicContact CG2-CD1 3.97Å; V39-L41 HydrophobicContact CG1-CD2 4.42Å; L41-A43 PolarHBondContact O-N 2.87Å
42P82.1Confident78.9Confident45 Ų4583.1 Ų83.129%0.29243%0.425SS..EExtended strand (participates in β ladder)trans-63124.717925.3-31.7000110F18 A44F18-P42 HydrophobicContact CD1-CB 4.26Å; F18-P42 HydrophobicContact CE1-CB 4.11Å; P42-A44 PolarHBondContact O-N 2.7Å
43A76.5Confident78.9Confident20 Ų2085.6 Ų85.617%0.16543%0.434CS..  trans-81.496.1172.500000107.9T17 H19 L41 K45T17-A43 HydrophobicContact CG2-CB 3.98Å; T17-A43 WeakPolarHBondContact O-CB 3.42Å; T17-A43 PolarHBondContact O-N 3Å; H19-A43 VanDerWaalsContact CD2-CB 3.43Å; H19-A43 WeakPolarHBondContact CD2-CB 3.27Å; H19-A43 VanDerWaalsContact NE2-CB 3.3Å; H19-A43 WeakPolarHBondContact NE2-CB 3.4Å; L41-A43 PolarHBondContact O-N 2.87Å; A43-K45 PolarHBondContact O-N 2.94Å
44A68.4Low79Confident69 Ų6981 Ų8157%0.5741%0.412SS*.  trans-59.4123.3171.700000108.7P42 V46P42-A44 PolarHBondContact O-N 2.7Å; A44-V46 HydrophobicContact CB-CG2 3.69Å; A44-V46 PolarHBondContact O-N 3.15Å
45K64Low79.1Confident145 Ų14572.1 Ų72.163%0.6337%0.374SS*.  trans-75.271.8164.9-67.9176.8-174.6158.70106.8A43 D47A43-K45 PolarHBondContact O-N 2.94Å; K45-D47 PolarHBondContact O-N 2.98Å
46V61.6Low79.3Confident66 Ų6679 Ų7940%0.440%0.396SS..  trans-66.8120.5173.7-172.10000106.1A44 A48 R51A44-V46 HydrophobicContact CB-CG2 3.69Å; A44-V46 PolarHBondContact O-N 3.15Å; V46-A48 PolarHBondContact O-N 2.73Å; V46-A48 VanDerWaalsContact O-N 3.16Å; V46-R51 HydrophobicContact CG1-CB 4.39Å
47D67.2Low79.6Confident87 Ų8783.1 Ų83.147%0.46542%0.415SS..  trans-55.1121.4174.2-61.2-51.4000107.4K45 D49 K50 R51K45-D47 PolarHBondContact O-N 2.98Å; D47-D49 PolarHBondContact O-N 3.17Å; D47-K50 HydrophobicContact CB-CB 4.44Å; D47-K50 HydrophobicContact CB-CD 4.1Å; D47-K50 HydrophobicContact CB-CG 4.13Å; D47-K50 PolarHBondContact O-N 2.81Å; D47-K50 WeakPolarHBondContact OD2-CE 3.39Å; D47-K50 IonicContact OD2-NZ 3.42Å; D47-K50 PolarHBondContact OD2-NZ 2.98Å; D47-R51 PolarHBondContact O-N 3.23Å
48A70.5Confident79.6Confident48 Ų4882.5 Ų82.540%0.39741%0.411SS..Hα-helixtrans-55.5-27-175.600000112.3V46 R52V46-A48 PolarHBondContact O-N 2.73Å; V46-A48 VanDerWaalsContact O-N 3.16Å; A48-R52 WeakPolarHBondContact O-CG 3.35Å; A48-R52 PolarHBondContact O-N 2.97Å; A48-R52 VanDerWaalsContact O-N 3.1Å
49D72.8Confident79.5Confident104 Ų10481.2 Ų81.256%0.55642%0.417SS*.Hα-helixtrans-69.9-41.7176.9-58-37.5000112.3D47 R51 R52 E53D47-D49 PolarHBondContact O-N 3.17Å; D49-R51 VanDerWaalsContact C-N 3.35Å; D49-R51 PolarHBondContact O-N 2.93Å; D49-R52 PolarHBondContact O-N 3.11Å; D49-E53 WeakPolarHBondContact O-CG 3.21Å; D49-E53 PolarHBondContact O-N 3.27Å
50K79.3Confident79.4Confident112 Ų11282.3 Ų82.349%0.48742%0.424SS..Hα-helixtrans-64.1-41.2175.6-69.8176.6-179.4154.80111.6D47 R52 E53 E54D47-K50 HydrophobicContact CB-CB 4.44Å; D47-K50 HydrophobicContact CB-CD 4.1Å; D47-K50 HydrophobicContact CB-CG 4.13Å; D47-K50 PolarHBondContact O-N 2.81Å; D47-K50 WeakPolarHBondContact OD2-CE 3.39Å; D47-K50 IonicContact OD2-NZ 3.42Å; D47-K50 PolarHBondContact OD2-NZ 2.98Å; K50-R52 VanDerWaalsContact C-N 3.31Å; K50-R52 PolarHBondContact O-N 3.48Å; K50-E53 PolarHBondContact O-N 3.34Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.19Å
51R79.1Confident79.4Confident74 Ų7487.5 Ų87.528%0.27945%0.445SS..Hα-helixtrans-59.9-42.6174.7-169.5-168.1-58144.35.8111.3V46 D47 D49 E54 Q55V46-R51 HydrophobicContact CG1-CB 4.39Å; D47-R51 PolarHBondContact O-N 3.23Å; D49-R51 VanDerWaalsContact C-N 3.35Å; D49-R51 PolarHBondContact O-N 2.93Å; R51-E54 PolarHBondContact O-N 2.96Å; R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 VanDerWaalsContact O-CG 3.29Å; R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 2.83Å
52R81.2Confident79.5Confident107 Ų10790.2 Ų90.240%0.40445%0.454SS..Hα-helixtrans-67-36177-76174.4177.9163.3-2.1112.4A48 D49 K50 R56A48-R52 WeakPolarHBondContact O-CG 3.35Å; A48-R52 PolarHBondContact O-N 2.97Å; A48-R52 VanDerWaalsContact O-N 3.1Å; D49-R52 PolarHBondContact O-N 3.11Å; K50-R52 VanDerWaalsContact C-N 3.31Å; K50-R52 PolarHBondContact O-N 3.48Å; R52-R56 WeakPolarHBondContact O-CB 3.11Å; R52-R56 VanDerWaalsContact O-CG 3.22Å; R52-R56 WeakPolarHBondContact O-CG 3.17Å; R52-R56 PolarHBondContact O-N 3.39Å
53E84.5Confident79.5Confident129 Ų12995.3 Ų95.360%0.60348%0.479SS*.Hα-helixtrans-64.7-44.1174.5-73.2171-177.800111.8D49 K50 R56 N57D49-E53 WeakPolarHBondContact O-CG 3.21Å; D49-E53 PolarHBondContact O-N 3.27Å; K50-E53 PolarHBondContact O-N 3.34Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.08Å; E53-N57 PolarHBondContact O-N 3.1Å
54E85.6Confident80.1Confident104 Ų10497.6 Ų97.649%0.48649%0.488SS..Hα-helixtrans-63.3-46.7174.5-69.9170.6-170.300111.2K50 R51 R56 N57 F58 L69K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.19Å; R51-E54 PolarHBondContact O-N 2.96Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; E54-N57 WeakPolarHBondContact O-CA 3.33Å; E54-N57 VanDerWaalsContact O-CB 3.26Å; E54-N57 WeakPolarHBondContact O-CB 3.13Å; E54-N57 PolarHBondContact O-N 2.64Å; E54-F58 WeakPolarHBondContact O-CD2 3.46Å; E54-F58 PolarHBondContact O-N 3.15Å; E54-F58 VanDerWaalsContact O-N 3.1Å; E54-L69 HydrophobicContact CB-CD1 3.66Å
55Q86.1Confident80.6Confident6 Ų6101.2 Ų101.23%0.02850%0.498CS..Hα-helixtrans-57-41.6175.5-78178.613.600112.1R51 N57 F58 G59 V60 Y66 D67 L69R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 VanDerWaalsContact O-CG 3.29Å; R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 2.83Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; Q55-N57 PolarHBondContact O-N 2.68Å; Q55-F58 CarbonylContact O-C 3.6Å; Q55-F58 WeakPolarHBondContact O-CA 3.32Å; Q55-F58 PolarHBondContact O-N 2.86Å; Q55-F58 VanDerWaalsContact O-N 3.11Å; Q55-G59 PolarHBondContact O-N 3.25Å; Q55-G59 VanDerWaalsContact O-N 3.15Å; Q55-V60 CarbonylContact C-O 3.55Å; Q55-V60 HydrophobicContact CB-CB 4Å; Q55-V60 HydrophobicContact CB-CG1 4.29Å; Q55-V60 WeakPolarHBondContact O-CB 3.42Å; Q55-V60 PolarHBondContact O-N 3.26Å; Q55-Y66 PolarHBondContact NE2-O 3.14Å; Q55-D67 PolarHBondContact NE2-OD1 3.04Å; Q55-L69 HydrophobicContact CG-CD1 3.97Å; Q55-L69 HydrophobicContact CG-CD2 4.28Å; Q55-L69 HydrophobicContact CG-CG 3.8Å
56R87.8Confident81.4Confident162 Ų16299.8 Ų99.861%0.61149%0.489SS*.Hα-helixtrans-62.6-37.7173.9-77.8174167.4-158.9-3.6112.7R52 E53 E54 F58 G59 V60 F61R52-R56 WeakPolarHBondContact O-CB 3.11Å; R52-R56 VanDerWaalsContact O-CG 3.22Å; R52-R56 WeakPolarHBondContact O-CG 3.17Å; R52-R56 PolarHBondContact O-N 3.39Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.08Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; R56-F58 PolarHBondContact O-N 3.16Å; R56-G59 PolarHBondContact O-N 2.89Å; R56-V60 PolarHBondContact N-O 2.84Å; R56-F61 HydrophobicContact CB-CE1 4.2Å; R56-F61 HydrophobicContact CG-CD1 3.92Å; R56-F61 HydrophobicContact CG-CE1 3.94Å
57N89.9Confident82.5Confident138 Ų13899.2 Ų99.274%0.73848%0.484SS*.Hα-helixtrans-62.2-33.8174.7-16453.9000111.7E53 E54 Q55 G59E53-N57 PolarHBondContact O-N 3.1Å; E54-N57 WeakPolarHBondContact O-CA 3.33Å; E54-N57 VanDerWaalsContact O-CB 3.26Å; E54-N57 WeakPolarHBondContact O-CB 3.13Å; E54-N57 PolarHBondContact O-N 2.64Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; Q55-N57 PolarHBondContact O-N 2.68Å; N57-G59 VanDerWaalsContact C-N 3.31Å
58F84.8Confident83.3Confident127 Ų12798.6 Ų98.656%0.55748%0.476SS*.THydrogen-bonded Turntrans-87.510.3173.2-68.9-76.7000114.2E54 Q55 R56 V60 L69 L72E54-F58 WeakPolarHBondContact O-CD2 3.46Å; E54-F58 PolarHBondContact O-N 3.15Å; E54-F58 VanDerWaalsContact O-N 3.1Å; Q55-F58 CarbonylContact O-C 3.6Å; Q55-F58 WeakPolarHBondContact O-CA 3.32Å; Q55-F58 PolarHBondContact O-N 2.86Å; Q55-F58 VanDerWaalsContact O-N 3.11Å; R56-F58 PolarHBondContact O-N 3.16Å; F58-V60 VanDerWaalsContact C-N 3.32Å; F58-V60 PolarHBondContact O-N 2.85Å; F58-L69 HydrophobicContact CB-CD2 3.96Å; F58-L69 HydrophobicContact CD2-CD1 4.24Å; F58-L69 HydrophobicContact CD2-CD2 3.41Å; F58-L69 VanDerWaalsContact CD2-CD2 3.41Å; F58-L69 HydrophobicContact CD2-CG 4.49Å; F58-L69 HydrophobicContact CE2-CD2 4.12Å; F58-L69 HydrophobicContact CG-CD2 3.83Å; F58-L72 HydrophobicContact CD1-CD1 4.08Å; F58-L72 HydrophobicContact CD2-CD1 4.36Å; F58-L72 HydrophobicContact CE1-CD1 4.19Å; F58-L72 HydrophobicContact CE2-CD1 4.48Å; F58-L72 HydrophobicContact CG-CD1 4.18Å; F58-L72 HydrophobicContact CZ-CD1 4.4Å
59G87.4Confident83.9Confident46 Ų4697.8 Ų97.847%0.47447%0.465SS..THydrogen-bonded Turntrans75.416.4176.500000115Q55 R56 N57 F61Q55-G59 PolarHBondContact O-N 3.25Å; Q55-G59 VanDerWaalsContact O-N 3.15Å; R56-G59 PolarHBondContact O-N 2.89Å; N57-G59 VanDerWaalsContact C-N 3.31Å; G59-F61 WeakPolarHBondContact O-CD2 3.27Å; G59-F61 VanDerWaalsContact O-CE2 3.32Å; G59-F61 WeakPolarHBondContact O-CE2 3.41Å
60V88.3Confident84.4Confident28 Ų2899.2 Ų99.217%0.1747%0.468CS..  trans-92.9118.8174.91800000108.9Q55 R56 F58 F62 Y68Q55-V60 CarbonylContact C-O 3.55Å; Q55-V60 HydrophobicContact CB-CB 4Å; Q55-V60 HydrophobicContact CB-CG1 4.29Å; Q55-V60 WeakPolarHBondContact O-CB 3.42Å; Q55-V60 PolarHBondContact O-N 3.26Å; R56-V60 PolarHBondContact N-O 2.84Å; F58-V60 VanDerWaalsContact C-N 3.32Å; F58-V60 PolarHBondContact O-N 2.85Å; V60-F62 HydrophobicContact CG1-CD2 3.98Å; V60-Y68 HydrophobicContact CG1-CD1 4.37Å; V60-Y68 HydrophobicContact CG1-CD2 3.39Å; V60-Y68 HydrophobicContact CG1-CE2 3.96Å; V60-Y68 HydrophobicContact CG1-CG 3.62Å; V60-Y68 HydrophobicContact CG2-CG 4.49Å
61F87.1Confident84.3Confident144 Ų14499.6 Ų99.663%0.63247%0.471SS*.  trans-123.519.7-174.4-58.6-79.3000113.5R56 G59R56-F61 HydrophobicContact CB-CE1 4.2Å; R56-F61 HydrophobicContact CG-CD1 3.92Å; R56-F61 HydrophobicContact CG-CE1 3.94Å; G59-F61 WeakPolarHBondContact O-CD2 3.27Å; G59-F61 VanDerWaalsContact O-CE2 3.32Å; G59-F61 WeakPolarHBondContact O-CE2 3.41Å
62F85.5Confident84.2Confident133 Ų133100.9 Ų100.958%0.58348%0.483SS*.  trans-76.8142.4179.5-60.7-72.8000111V60 D64 Y68V60-F62 HydrophobicContact CG1-CD2 3.98Å; F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 WeakPolarHBondContact CB-OD1 3.44Å; F62-D64 PolarHBondContact O-N 2.8Å; F62-Y68 HydrophobicContact CB-CE2 4.05Å; F62-Y68 HydrophobicContact CD2-CE1 4.18Å; F62-Y68 HydrophobicContact CD2-CE2 4.12Å; F62-Y68 AromaticContact CD2-CZ 3.76Å; F62-Y68 HydrophobicContact CG-CE2 4.5Å
63D83.1Confident83.8Confident152 Ų152105.2 Ų105.281%0.81351%0.505SS*.  trans-90.717.5-178.5-73.1-27.3000112.8
64D87.6Confident83.1Confident68 Ų68107.4 Ų107.436%0.36452%0.515SS..SBendtrans-90.3168.6178.164.2-27.3000112.9F62 Y66 Y68F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 WeakPolarHBondContact CB-OD1 3.44Å; F62-D64 PolarHBondContact O-N 2.8Å; D64-Y66 VanDerWaalsContact C-N 3.25Å; D64-Y66 PolarHBondContact O-N 3.1Å; D64-Y66 WeakPolarHBondContact OD2-CB 3.45Å; D64-Y68 VanDerWaalsContact CG-OH 3.25Å; D64-Y68 WeakPolarHBondContact OD1-CE2 3.29Å; D64-Y68 PolarHBondContact OD1-OH 3.47Å; D64-Y68 VanDerWaalsContact OD1-OH 3.1Å; D64-Y68 PolarHBondContact OD2-OH 2.78Å
65D79.1Confident81.8Confident145 Ų145107.4 Ų107.478%0.77553%0.533SS*.SBendtrans-86.78.7-177.1-67-35.4000113
66Y81.9Confident80.1Confident116 Ų116112.4 Ų112.446%0.45557%0.568SS.*  trans-81.3141.6-176.8-165.1-101000111.8Q55 D64 Y68 H71Q55-Y66 PolarHBondContact NE2-O 3.14Å; D64-Y66 VanDerWaalsContact C-N 3.25Å; D64-Y66 PolarHBondContact O-N 3.1Å; D64-Y66 WeakPolarHBondContact OD2-CB 3.45Å; Y66-Y68 HydrophobicContact CD1-CD1 4.08Å; Y66-Y68 HydrophobicContact CD1-CD2 4.35Å; Y66-Y68 HydrophobicContact CD1-CE1 4.06Å; Y66-Y68 HydrophobicContact CD1-CE2 4.32Å; Y66-Y68 HydrophobicContact CD1-CG 4.23Å; Y66-Y68 WeakPolarHBondContact O-CD2 3.47Å; Y66-Y68 PolarHBondContact O-N 2.98Å; Y66-H71 PolarHBondContact OH-NE2 2.99Å
67D84.4Confident78.2Confident54 Ų54106.7 Ų106.729%0.28956%0.56SS.*  trans-95.492.3178.8-166.21.6000111.6Q55 L69 Q70Q55-D67 PolarHBondContact NE2-OD1 3.04Å; D67-L69 PolarHBondContact O-N 3.21Å; D67-L69 PolarHBondContact OD1-N 2.93Å; D67-Q70 VanDerWaalsContact O-CB 3.31Å; D67-Q70 WeakPolarHBondContact O-CB 3.34Å; D67-Q70 PolarHBondContact O-N 3.47Å
68Y83.3Confident75.8Confident73 Ų73106.8 Ų106.829%0.28657%0.568SS.*G310 helixtrans-66.5-19.3-178.9-65.7-86.6000113.9V60 F62 D64 Y66 Q70V60-Y68 HydrophobicContact CG1-CD1 4.37Å; V60-Y68 HydrophobicContact CG1-CD2 3.39Å; V60-Y68 HydrophobicContact CG1-CE2 3.96Å; V60-Y68 HydrophobicContact CG1-CG 3.62Å; V60-Y68 HydrophobicContact CG2-CG 4.49Å; F62-Y68 HydrophobicContact CB-CE2 4.05Å; F62-Y68 HydrophobicContact CD2-CE1 4.18Å; F62-Y68 HydrophobicContact CD2-CE2 4.12Å; F62-Y68 AromaticContact CD2-CZ 3.76Å; F62-Y68 HydrophobicContact CG-CE2 4.5Å; D64-Y68 VanDerWaalsContact CG-OH 3.25Å; D64-Y68 WeakPolarHBondContact OD1-CE2 3.29Å; D64-Y68 PolarHBondContact OD1-OH 3.47Å; D64-Y68 VanDerWaalsContact OD1-OH 3.1Å; D64-Y68 PolarHBondContact OD2-OH 2.78Å; Y66-Y68 HydrophobicContact CD1-CD1 4.08Å; Y66-Y68 HydrophobicContact CD1-CD2 4.35Å; Y66-Y68 HydrophobicContact CD1-CE1 4.06Å; Y66-Y68 HydrophobicContact CD1-CE2 4.32Å; Y66-Y68 HydrophobicContact CD1-CG 4.23Å; Y66-Y68 WeakPolarHBondContact O-CD2 3.47Å; Y66-Y68 PolarHBondContact O-N 2.98Å; Y68-Q70 VanDerWaalsContact C-N 3.3Å
69L83.6Confident73.8Confident32 Ų32105.5 Ų105.517%0.16858%0.575CS.*G310 helixtrans-80.1-13.9179.6-54.4-179.5000112.4E54 Q55 F58 D67 H71 L72E54-L69 HydrophobicContact CB-CD1 3.66Å; Q55-L69 HydrophobicContact CG-CD1 3.97Å; Q55-L69 HydrophobicContact CG-CD2 4.28Å; Q55-L69 HydrophobicContact CG-CG 3.8Å; F58-L69 HydrophobicContact CB-CD2 3.96Å; F58-L69 HydrophobicContact CD2-CD1 4.24Å; F58-L69 HydrophobicContact CD2-CD2 3.41Å; F58-L69 VanDerWaalsContact CD2-CD2 3.41Å; F58-L69 HydrophobicContact CD2-CG 4.49Å; F58-L69 HydrophobicContact CE2-CD2 4.12Å; F58-L69 HydrophobicContact CG-CD2 3.83Å; D67-L69 PolarHBondContact O-N 3.21Å; D67-L69 PolarHBondContact OD1-N 2.93Å; L69-H71 PolarHBondContact O-N 2.93Å; L69-H71 VanDerWaalsContact O-N 3.11Å; L69-L72 HydrophobicContact CB-CD1 4.22Å; L69-L72 HydrophobicContact CD2-CD1 3.41Å; L69-L72 VanDerWaalsContact CD2-CD1 3.41Å; L69-L72 HydrophobicContact CD2-CG 4.49Å; L69-L72 HydrophobicContact CG-CD1 4.4Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.16Å
70Q82.1Confident71.3Confident134 Ų134111.7 Ų111.763%0.62659%0.591SS**G310 helixtrans-58.6-28-178.2-175.4176.642.600113.5D67 Y68D67-Q70 VanDerWaalsContact O-CB 3.31Å; D67-Q70 WeakPolarHBondContact O-CB 3.34Å; D67-Q70 PolarHBondContact O-N 3.47Å; Y68-Q70 VanDerWaalsContact C-N 3.3Å
71H78.3Confident69Low119 Ų119117.3 Ų117.355%0.55162%0.62SS**G310 helixtrans-103.71.4-175.1-56-67.4000113.3Y66 L69 K73Y66-H71 PolarHBondContact OH-NE2 2.99Å; L69-H71 PolarHBondContact O-N 2.93Å; L69-H71 VanDerWaalsContact O-N 3.11Å; H71-K73 PolarHBondContact O-N 3.14Å
72L76.4Confident66.4Low102 Ų102116.5 Ų116.553%0.53463%0.627SS.*PPolyproline II helixtrans-68.3118174.4-73.2175.1000109F58 L69F58-L72 HydrophobicContact CD1-CD1 4.08Å; F58-L72 HydrophobicContact CD2-CD1 4.36Å; F58-L72 HydrophobicContact CE1-CD1 4.19Å; F58-L72 HydrophobicContact CE2-CD1 4.48Å; F58-L72 HydrophobicContact CG-CD1 4.18Å; F58-L72 HydrophobicContact CZ-CD1 4.4Å; L69-L72 HydrophobicContact CB-CD1 4.22Å; L69-L72 HydrophobicContact CD2-CD1 3.41Å; L69-L72 VanDerWaalsContact CD2-CD1 3.41Å; L69-L72 HydrophobicContact CD2-CG 4.49Å; L69-L72 HydrophobicContact CG-CD1 4.4Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.16Å
73K73.3Confident63.9Low197 Ų197116.2 Ų116.286%0.85764%0.636SS**PPolyproline II helixtrans-99.6136.7170.9-69.4179.5179.1177.30108.6H71 A75H71-K73 PolarHBondContact O-N 3.14Å; K73-A75 PolarHBondContact O-N 3.25Å
74E69.4Low61.5Low175 Ų175113.6 Ų113.682%0.81864%0.635SS**PPolyproline II helixtrans-57.8133.4170.8-69.1176-175.400109.8S76E74-S76 PolarHBondContact O-N 3.01Å
75A58.3Low58.9Low105 Ų105113.7 Ų113.787%0.86865%0.652SS**THydrogen-bonded Turntrans-69.28.6178.900000113.6K73 G77K73-A75 PolarHBondContact O-N 3.25Å; A75-G77 VanDerWaalsContact C-N 3.31Å; A75-G77 PolarHBondContact O-N 3.28Å
76S50.9Low56.7Low110 Ų110112.8 Ų112.877%0.76965%0.654SS**THydrogen-bonded Turntrans-80.5-5.8-178.4-160.70000113.9E74E74-S76 PolarHBondContact O-N 3.01Å
77G47.6Very low54.3Low42 Ų42112.7 Ų112.743%0.43367%0.67SS.*SBendtrans-78.2150.7167.100000111.2A75 S79A75-G77 VanDerWaalsContact C-N 3.31Å; A75-G77 PolarHBondContact O-N 3.28Å; G77-S79 PolarHBondContact O-N 2.81Å
78P40.7Very low51.8Low141 Ų141118.3 Ų118.392%0.91670%0.695SS**  trans-70.474.2174.831.8-34.9000109.6E80P78-E80 PolarHBondContact O-N 3.21Å
79S40.9Very low49.1Very low99 Ų99125.1 Ų125.169%0.69273%0.726SS**  trans-84.993.7169.9-1490000106.6G77 L81G77-S79 PolarHBondContact O-N 2.81Å; S79-L81 PolarHBondContact O-N 3.21Å
80E36.8Very low46.6Very low176 Ų176131 Ų13182%0.82276%0.757SS**  trans-67.684.4173-170178.4179.100109P78 V82P78-E80 PolarHBondContact O-N 3.21Å; E80-V82 HydrophobicContact CG-CG2 4.38Å; E80-V82 PolarHBondContact O-N 3.12Å
81L39.7Very low44Very low147 Ų147136.6 Ų136.677%0.7777%0.773SS**  trans-75.3100.7165.4-78.1168.8000108.3S79 T83S79-L81 PolarHBondContact O-N 3.21Å; L81-T83 PolarHBondContact O-N 2.94Å; L81-T83 VanDerWaalsContact O-N 3.08Å
82V32.1Very low41.5Very low127 Ų127134.7 Ų134.777%0.7779%0.785SS**  trans-67.6103.9168.1-179.50000108.3E80 A84E80-V82 HydrophobicContact CG-CG2 4.38Å; E80-V82 PolarHBondContact O-N 3.12Å; V82-A84 PolarHBondContact O-N 3.36Å
83T32.2Very low39.2Very low127 Ų127134.1 Ų134.178%0.77980%0.796SS**  trans-81109.3173.844.60000109.7L81 G85L81-T83 PolarHBondContact O-N 2.94Å; L81-T83 VanDerWaalsContact O-N 3.08Å; T83-G85 PolarHBondContact O-N 3.26Å
84A32.2Very low37.1Very low97 Ų97129.8 Ų129.880%0.80279%0.79SS**PPolyproline II helixtrans-65.6126.9159.600000108.3V82V82-A84 PolarHBondContact O-N 3.36Å
85G33.5Very low35Very low69 Ų69129.5 Ų129.571%0.71179%0.794SS**PPolyproline II helixtrans-61.3148.1-171.100000114.1T83T83-G85 PolarHBondContact O-N 3.26Å
86P34.4Very low33.7Very low127 Ų127131.2 Ų131.283%0.82579%0.787SS**PPolyproline II helixtrans-82.4133.8-177.230.3-31.4000112.6
87S30.2Very low32.9Very low113 Ų113136.4 Ų136.479%0.7979%0.79SS**PPolyproline II helixtrans-77.2130.9158.557.60000110.2
88H31.5Very low32.1Very low173 Ų173141.9 Ų141.980%0.80181%0.81SS**PPolyproline II helixtrans-49.9133.5177.6-73.7-86.1000115.2
89F28.1Very low31.7Very low215 Ų215142.8 Ų142.894%0.94381%0.807SS**  trans-144.5132.9134.9-97.1-78.2000111
90N30.6Very low31.3Very low155 Ų155146 Ų14683%0.82982%0.816SS**  trans-71.6136.8178.9-82.8-29.1000112.9
91R27Very low31Very low252 Ų252146.4 Ų146.495%0.95182%0.818SS**  -175.8129124.1-133.7169.7177.5-179.2-2.3110.4
92G26Very low30.6Very low79 Ų79148.4 Ų148.481%0.81482%0.823SS**  trans-90.2173.8-170.700000116.3
93A28Very low30.3Very low91 Ų91149.9 Ų149.975%0.75283%0.827SS**  trans-171.7131.1148.500000109.8
94S28.4Very low30.1Very low106 Ų106152.3 Ų152.374%0.74183%0.829SS**  trans46.9105.1146.447.70000121.3I96S94-I96 PolarHBondContact O-N 3.26Å
95D26.5Very low29.9Very low169 Ų169154.4 Ų154.490%0.90483%0.832SS**  trans-56.2120.3150.8-101.7-35.7000111
96I30.1Very low29.5Very low141 Ų141159.2 Ų159.272%0.72384%0.836SS**  trans-111.9124.6153.1-68.4176.8000105.7S94S94-I96 PolarHBondContact O-N 3.26Å
97R35.2Very low29.1Very low219 Ų219158.4 Ų158.483%0.82683%0.829SS**  trans-67.6135172.8-62.6166.8173.3179.2-7108
98D30.8Very low29Very low157 Ų157159.2 Ų159.284%0.8483%0.829SS**  trans-130.6133.9156.1-81.1-43.2000109.5
99D30.5Very low29.3Very low160 Ų160160.3 Ų160.386%0.85683%0.826SS**  trans-64.2150.7-178-83-48.8000111.7E101D99-E101 PolarHBondContact O-N 3.33Å
100D32.7Very low29.7Very low165 Ų165157 Ų15788%0.88281%0.813SS**  trans-61.1116.5168.5-66.4-64.7000110.6
101E31.7Very low30Very low186 Ų186156 Ų15687%0.86981%0.808SS**  trans-115.1120155.6-92.7-170.8166.700109.5D99 N103D99-E101 PolarHBondContact O-N 3.33Å; E101-N103 PolarHBondContact O-N 3.36Å
102E31.8Very low31Very low189 Ų189148 Ų14888%0.88378%0.783SS**  trans-63.8105.1176.3-63174.516200109.9E104E102-E104 PolarHBondContact O-N 3.15Å
103N25.5Very low32Very low158 Ų158148.4 Ų148.485%0.84577%0.772SS**  trans-85.697.6166-92.3-41.8000109.2E101 V105E101-N103 PolarHBondContact O-N 3.36Å; N103-V105 PolarHBondContact O-N 3.14Å
104E27.8Very low32.7Very low178 Ų178153.7 Ų153.783%0.83278%0.781SS**  trans-58.2127.5160.1-74.9-174.4145.500109.3E102 E106E102-E104 PolarHBondContact O-N 3.15Å; E104-E106 PolarHBondContact O-N 3.3Å
105V26.7Very low33.9Very low140 Ų140150.5 Ų150.585%0.84876%0.761SS**  trans-75.688.9177.4-168.60000108.1N103 T107N103-V105 PolarHBondContact O-N 3.14Å; V105-T107 PolarHBondContact O-N 3.48Å
106E26.9Very low35.1Very low171 Ų171148.3 Ų148.380%0.79975%0.753SS**  trans-70.1108.4162.2-80.2-166.1155.800108.2E104 V108E104-E106 PolarHBondContact O-N 3.3Å; E106-V108 PolarHBondContact O-N 3.11Å
107T25.5Very low37Very low110 Ų110144.7 Ų144.768%0.67574%0.735SS**  trans-52.2111159.950.80000107.5V105 R109V105-T107 PolarHBondContact O-N 3.48Å; T107-R109 VanDerWaalsContact C-N 3.25Å; T107-R109 PolarHBondContact O-N 2.93Å
108V28.7Very low38.9Very low130 Ų130142.5 Ų142.579%0.78873%0.734SS**  trans-63.490.2178.2-179.80000108.3E106 Q110E106-V108 PolarHBondContact O-N 3.11Å; V108-Q110 HydrophobicContact CG1-CG 4.35Å; V108-Q110 PolarHBondContact O-N 3.13Å
109R36Very low41.3Very low195 Ų195138.8 Ų138.874%0.73671%0.713SS**  trans-69108.8161.4-70.3-179.1175.4173.7-0.6105.4T107 D111T107-R109 VanDerWaalsContact C-N 3.25Å; T107-R109 PolarHBondContact O-N 2.93Å; R109-D111 PolarHBondContact O-N 3.18Å
110Q38.3Very low43.7Very low146 Ų146135.1 Ų135.168%0.68270%0.698SS**  trans-69.780.6165-71.6-173.7-3.100107.5V108 I112V108-Q110 HydrophobicContact CG1-CG 4.35Å; V108-Q110 PolarHBondContact O-N 3.13Å; Q110-I112 PolarHBondContact O-N 3.21Å; Q110-I112 VanDerWaalsContact O-N 3.1Å
111D36Very low46Very low134 Ų134132.1 Ų132.172%0.71769%0.69SS**  trans-60.1115.6176.8-73.5-26.6000108.4R109R109-D111 PolarHBondContact O-N 3.18Å
112I48.9Very low48.2Very low83 Ų83125.3 Ų125.343%0.42666%0.663SS.*  trans-59123.9172.8-59.1168.8000106.1Q110 E114Q110-I112 PolarHBondContact O-N 3.21Å; Q110-I112 VanDerWaalsContact O-N 3.1Å; I112-E114 PolarHBondContact O-N 2.87Å; I112-E114 VanDerWaalsContact O-N 3.15Å
113P45.8Very low50.7Low89 Ų89118.2 Ų118.258%0.57863%0.633SS**  trans-57.6127.8173.523.6-31.9000107.8A115P113-A115 PolarHBondContact O-N 3.15Å
114E42.6Very low53.5Low202 Ų202112.7 Ų112.794%0.94460%0.601SS**  trans-60.462.9-174.6-65.1-177.6156.300113.2I112I112-E114 PolarHBondContact O-N 2.87Å; I112-E114 VanDerWaalsContact O-N 3.15Å
115A53.4Low55.9Low39 Ų39106.3 Ų106.332%0.32258%0.579SS.*  trans-86.8113.2153.500000105.2V16 P113 I117V16-A115 HydrophobicContact CG2-CB 3.88Å; P113-A115 PolarHBondContact O-N 3.15Å; A115-I117 VanDerWaalsContact C-N 3.28Å; A115-I117 HydrophobicContact CB-CD1 4.48Å; A115-I117 HydrophobicContact CB-CG1 4.4Å; A115-I117 WeakPolarHBondContact O-CG1 3.34Å; A115-I117 PolarHBondContact O-N 3.11Å
116T52.7Low58.6Low122 Ų122100.9 Ų100.975%0.74855%0.547SS*.  trans-6188.4178.2-42.40000109.8
117I69.6Low61.1Low65 Ų65102.8 Ų102.833%0.33356%0.556SS.*  trans-95.7112.9178.5-65.4161.4000107.1V16 F18 A115 L119V16-I117 HydrophobicContact CB-CD1 4.09Å; V16-I117 HydrophobicContact CG1-CD1 4.39Å; V16-I117 HydrophobicContact CG2-CD1 4.02Å; F18-I117 HydrophobicContact CE2-CD1 3.86Å; F18-I117 HydrophobicContact CZ-CD1 3.76Å; A115-I117 VanDerWaalsContact C-N 3.28Å; A115-I117 HydrophobicContact CB-CD1 4.48Å; A115-I117 HydrophobicContact CB-CG1 4.4Å; A115-I117 WeakPolarHBondContact O-CG1 3.34Å; A115-I117 PolarHBondContact O-N 3.11Å; I117-L119 VanDerWaalsContact C-N 3.3Å; I117-L119 HydrophobicContact CG2-CB 4.15Å; I117-L119 HydrophobicContact CG2-CD1 3.57Å; I117-L119 HydrophobicContact CG2-CG 3.58Å; I117-L119 PolarHBondContact O-N 3.03Å
118H76.3Confident63.6Low174 Ų174104 Ų10481%0.80655%0.552SS**  trans-82.875.6175.2-67.1-64.7000110.5
119L80.1Confident66Low78 Ų78102.6 Ų102.641%0.40854%0.537SS..  trans-114.9147168.6-70.9173.5000109.6L40 I117 F124L40-L119 HydrophobicContact CD1-CD1 3.99Å; I117-L119 VanDerWaalsContact C-N 3.3Å; I117-L119 HydrophobicContact CG2-CB 4.15Å; I117-L119 HydrophobicContact CG2-CD1 3.57Å; I117-L119 HydrophobicContact CG2-CG 3.58Å; I117-L119 PolarHBondContact O-N 3.03Å; L119-F124 HydrophobicContact CB-CE2 3.85Å; L119-F124 HydrophobicContact CB-CZ 4.15Å; L119-F124 HydrophobicContact CD1-CZ 4.03Å
120P81.6Confident68.1Low84 Ų8495.8 Ų95.855%0.54551%0.513SS..  trans-64.7140175.626.5-31.9000110.2S122 V123P120-S122 PolarHBondContact O-N 3.14Å; P120-S122 VanDerWaalsContact O-N 3.08Å; P120-V123 HydrophobicContact CG-CG2 3.82Å; P120-V123 WeakPolarHBondContact O-CB 3.39Å; P120-V123 PolarHBondContact O-N 2.74Å
121S79.4Confident70Confident102 Ų10295.8 Ų95.871%0.71352%0.518SS*.G310 helixtrans-55.8-29-178.453.90000113.5V123 F124S121-V123 PolarHBondContact O-N 3.42Å; S121-V123 VanDerWaalsContact O-N 3.12Å; S121-F124 PolarHBondContact O-N 3.45Å
122S78.9Confident72.1Confident43 Ų4392.8 Ų92.830%0.30151%0.505SS..G310 helixtrans-58.9-21.6175.5177.80000114.1R23 P36 P120 F124R23-S122 PolarHBondContact NH2-O 2.98Å; P36-S122 WeakPolarHBondContact CD-OG 3.34Å; P120-S122 PolarHBondContact O-N 3.14Å; P120-S122 VanDerWaalsContact O-N 3.08Å; S122-F124 VanDerWaalsContact C-N 3.29Å
123V83.4Confident73.6Confident39 Ų3989 Ų8924%0.23649%0.486CS..G310 helixtrans-79.8-15.8176.9174.20000112V39 L40 P120 S121V39-V123 WeakPolarHBondContact CA-O 3.33Å; L40-V123 HydrophobicContact CB-CG1 4.31Å; L40-V123 HydrophobicContact CD1-CG1 3.46Å; L40-V123 VanDerWaalsContact CD1-CG1 3.46Å; L40-V123 HydrophobicContact CG-CG1 3.6Å; L40-V123 PolarHBondContact N-O 2.83Å; P120-V123 HydrophobicContact CG-CG2 3.82Å; P120-V123 WeakPolarHBondContact O-CB 3.39Å; P120-V123 PolarHBondContact O-N 2.74Å; S121-V123 PolarHBondContact O-N 3.42Å; S121-V123 VanDerWaalsContact O-N 3.12Å
124F84.2Confident75.3Confident43 Ų4388.8 Ų88.819%0.18948%0.48CS..SBendtrans-98.3167.4175.4-59.8-72.5000110.9F18 V39 L40 L119 S121 S122F18-F124 HydrophobicContact CD1-CE1 4.31Å; F18-F124 AromaticContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CZ-CE1 4.12Å; V39-F124 VanDerWaalsContact CG1-C 3.49Å; L40-F124 HydrophobicContact CB-CD1 4.21Å; L40-F124 HydrophobicContact CB-CE1 4.14Å; L119-F124 HydrophobicContact CB-CE2 3.85Å; L119-F124 HydrophobicContact CB-CZ 4.15Å; L119-F124 HydrophobicContact CD1-CZ 4.03Å; S121-F124 PolarHBondContact O-N 3.45Å; S122-F124 VanDerWaalsContact C-N 3.29Å
125A79.9Confident76.9Confident43 Ų4384.5 Ų84.536%0.35546%0.463SS..PPolyproline II helixtrans-61.5149.8172.700000109.1V39V39-A125 HydrophobicContact CG1-CB 4.03Å
126S82.4Confident78Confident27 Ų2788 Ų8819%0.18948%0.476CS..PPolyproline II helixtrans-56.3150.4172.953.20000111D27 F128D27-S126 WeakPolarHBondContact OD1-CB 3.37Å; D27-S126 PolarHBondContact OD1-OG 3.27Å; D27-S126 VanDerWaalsContact OD1-OG 3.08Å; S126-F128 WeakPolarHBondContact CB-O 3.3Å; S126-F128 PolarHBondContact O-N 2.92Å; S126-F128 PolarHBondContact OG-O 3.25Å
127E79.3Confident79.1Confident211 Ų21187.3 Ų87.399%0.98646%0.462SS*.SBendtrans-65-17.7175.3-65.9179.6179.900112.7
128F77.5Confident79Confident135 Ų13587.9 Ų87.959%0.59248%0.477SS*.  trans-129.1132.3-179.3179-99.9000110.4P28 S126 E130P28-F128 WeakPolarHBondContact CD-O 3.5Å; S126-F128 WeakPolarHBondContact CB-O 3.3Å; S126-F128 PolarHBondContact O-N 2.92Å; S126-F128 PolarHBondContact OG-O 3.25Å; F128-E130 HydrophobicContact CE1-CG 4.07Å
129E79.7Confident78.4Confident101 Ų10182.4 Ų82.447%0.47246%0.462SS..  trans-108.2137.7169.7-64.9-168.5168.700109.4R26R26-E129 HydrophobicContact CB-CB 4.29Å
130E80Confident77.6Confident51 Ų5184.2 Ų84.224%0.23848%0.478CS..  trans-77.6144.9176.1-57.9-174131.400111.7R26 F128 V132 K137R26-E130 WeakPolarHBondContact CB-O 3.43Å; R26-E130 WeakPolarHBondContact CD-O 3.18Å; R26-E130 WeakPolarHBondContact CG-O 3.43Å; R26-E130 PolarHBondContact O-N 3.13Å; F128-E130 HydrophobicContact CE1-CG 4.07Å; E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.78Å; E130-K137 IonicContact OE1-NZ 2.83Å; E130-K137 PolarHBondContact OE1-NZ 3.15Å; E130-K137 WeakPolarHBondContact OE2-CE 3.28Å; E130-K137 IonicContact OE2-NZ 2.64Å; E130-K137 PolarHBondContact OE2-NZ 2.72Å
131D79.6Confident76.9Confident147 Ų14785.9 Ų85.979%0.78649%0.487SS*.SBendtrans-61.2-35.3-179.3-63.2-28.2000113
132V78.9Confident75.8Confident71 Ų7187.1 Ų87.143%0.4350%0.495SS..SBendtrans-116.6122.4-177.7-175.90000109.3E130 N136 K137E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.78Å; V132-N136 HydrophobicContact CG1-CB 3.59Å; V132-K137 HydrophobicContact CB-CG 4.34Å; V132-K137 HydrophobicContact CG1-CG 3.98Å; V132-K137 WeakPolarHBondContact O-CE 3.39Å
133G80.9Confident75.2Confident4 Ų487.3 Ų87.34%0.04150%0.504CS..  trans-64.8151.517900000112.9Q25 L135 N136 K137Q25-G133 CarbonylContact O-C 3.5Å; Q25-G133 VanDerWaalsContact O-CA 3.32Å; Q25-G133 WeakPolarHBondContact O-CA 3.2Å; G133-L135 PolarHBondContact O-N 3.16Å; G133-L135 VanDerWaalsContact O-N 3.11Å; G133-N136 WeakPolarHBondContact O-CB 3.42Å; G133-N136 PolarHBondContact O-N 3.26Å; G133-K137 PolarHBondContact O-N 3.22Å; G133-K137 VanDerWaalsContact O-N 3.14Å
134L80.3Confident74.2Confident84 Ų8491.2 Ų91.244%0.4453%0.53SS..Hα-helixtrans-50.2-40-175.6-174.565.3000113.6Q25 A31 N136 K137 A138Q25-L134 PolarHBondContact O-N 3.22Å; A31-L134 HydrophobicContact CB-CD2 4.04Å; L134-N136 PolarHBondContact O-N 3.4Å; L134-K137 PolarHBondContact O-N 3.45Å; L134-A138 PolarHBondContact O-N 3.18Å; L134-A138 VanDerWaalsContact O-N 3.15Å
135L77.3Confident73.7Confident112 Ų11295.3 Ų95.359%0.58654%0.544SS*.Hα-helixtrans-66.2-37.4179.7-172.365.1000112.4G133 K137 A138 A139G133-L135 PolarHBondContact O-N 3.16Å; G133-L135 VanDerWaalsContact O-N 3.11Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-A138 PolarHBondContact O-N 3.11Å; L135-A139 PolarHBondContact O-N 3.25Å
136N77.1Confident73.2Confident111 Ų111101.2 Ų101.259%0.59457%0.569SS**Hα-helixtrans-75.1-26.4178.3-66.4-17.1000111.7V132 G133 L134V132-N136 HydrophobicContact CG1-CB 3.59Å; G133-N136 WeakPolarHBondContact O-CB 3.42Å; G133-N136 PolarHBondContact O-N 3.26Å; L134-N136 PolarHBondContact O-N 3.4Å
137K75.8Confident73.1Confident108 Ų108105.2 Ų105.247%0.4759%0.588SS.*Hα-helixtrans-70.4-32.4171-67.6-178172.4-178.30112.8E130 V132 G133 L134 L135E130-K137 IonicContact OE1-NZ 2.83Å; E130-K137 PolarHBondContact OE1-NZ 3.15Å; E130-K137 WeakPolarHBondContact OE2-CE 3.28Å; E130-K137 IonicContact OE2-NZ 2.64Å; E130-K137 PolarHBondContact OE2-NZ 2.72Å; V132-K137 HydrophobicContact CB-CG 4.34Å; V132-K137 HydrophobicContact CG1-CG 3.98Å; V132-K137 WeakPolarHBondContact O-CE 3.39Å; G133-K137 PolarHBondContact O-N 3.22Å; G133-K137 VanDerWaalsContact O-N 3.14Å; L134-K137 PolarHBondContact O-N 3.45Å; L135-K137 VanDerWaalsContact C-N 3.34Å
138A67.6Low73.1Confident78 Ų7897.9 Ų97.965%0.64556%0.555SS**Hα-helixtrans-83-11.9-178.900000113.5L134 L135 P140L134-A138 PolarHBondContact O-N 3.18Å; L134-A138 VanDerWaalsContact O-N 3.15Å; L135-A138 PolarHBondContact O-N 3.11Å; A138-P140 WeakPolarHBondContact O-CD 3.5Å
139A63.7Low73.3Confident58 Ų5896.3 Ų96.348%0.47955%0.552SS.*SBendtrans-69119.7173.500000108.8L135 V141L135-A139 PolarHBondContact O-N 3.25Å; A139-V141 PolarHBondContact O-N 3.16Å
140P63.2Low73.4Confident116 Ų11696.2 Ų96.275%0.75356%0.561SS**  trans-55.8132.4170.722.6-30.4000107.8A138 S142A138-P140 WeakPolarHBondContact O-CD 3.5Å; P140-S142 PolarHBondContact O-N 3.3Å
141V65.4Low73.4Confident119 Ų11998.7 Ų98.772%0.72158%0.576SS**  trans-48.3112.2178.4177.50000107.6A139 G143A139-V141 PolarHBondContact O-N 3.16Å; V141-G143 PolarHBondContact O-N 3.31Å
142S57Low73.5Confident128 Ų12895.3 Ų95.390%0.89556%0.557SS**  trans-75.6113.6-176.5-171.90000108.3P140P140-S142 PolarHBondContact O-N 3.3Å
143G65.9Low73.7Confident47 Ų4794.6 Ų94.649%0.48555%0.553SS.*SBendtrans136168176.900000113.6V141 R145V141-G143 PolarHBondContact O-N 3.31Å; G143-R145 PolarHBondContact O-N 3.47Å
144P63.6Low73.7Confident121 Ų12195.6 Ų95.679%0.78656%0.56SS**  trans-63.4122.4177.424.2-30.9000110.3L146P144-L146 PolarHBondContact O-N 2.96Å; P144-L146 VanDerWaalsContact O-N 3.15Å
145R72.4Confident73.8Confident130 Ų13093.5 Ų93.549%0.49156%0.555SS.*  trans-83.683.5177.7-75.5-166.469-176-0.5109.9G143 D147 M148G143-R145 PolarHBondContact O-N 3.47Å; R145-D147 VanDerWaalsContact C-OD1 3.25Å; R145-D147 VanDerWaalsContact CA-OD1 3.28Å; R145-D147 WeakPolarHBondContact CA-OD1 3.12Å; R145-D147 WeakPolarHBondContact CB-OD1 3.22Å; R145-D147 IonicContact CZ-OD2 2.71Å; R145-D147 IonicContact NE-OD1 3.65Å; R145-D147 PolarHBondContact NE-OD1 3.05Å; R145-D147 IonicContact NE-OD2 3.29Å; R145-D147 PolarHBondContact NE-OD2 3.42Å; R145-D147 IonicContact NH2-OD2 2.78Å; R145-D147 PolarHBondContact NH2-OD2 3.26Å; R145-D147 PolarHBondContact O-N 3.01Å; R145-D147 VanDerWaalsContact O-N 3.14Å; R145-M148 HydrophobicContact CB-CB 4.35Å; R145-M148 HydrophobicContact CB-CG 3.69Å; R145-M148 WeakPolarHBondContact O-CB 3.31Å; R145-M148 PolarHBondContact O-N 3.38Å
146L70.1Confident74Confident166 Ų16694.2 Ų94.287%0.86956%0.559SS**THydrogen-bonded Turntrans-63.9-11.1177.8-63170.4000113.3P144 M148P144-L146 PolarHBondContact O-N 2.96Å; P144-L146 VanDerWaalsContact O-N 3.15Å; L146-M148 VanDerWaalsContact C-N 3.35Å
147D79.8Confident74.2Confident112 Ų11294.7 Ų94.760%0.59956%0.561SS**THydrogen-bonded Turntrans-78.8-16.5172.660.1-50.3000113.4R145R145-D147 VanDerWaalsContact C-OD1 3.25Å; R145-D147 VanDerWaalsContact CA-OD1 3.28Å; R145-D147 WeakPolarHBondContact CA-OD1 3.12Å; R145-D147 WeakPolarHBondContact CB-OD1 3.22Å; R145-D147 IonicContact CZ-OD2 2.71Å; R145-D147 IonicContact NE-OD1 3.65Å; R145-D147 PolarHBondContact NE-OD1 3.05Å; R145-D147 IonicContact NE-OD2 3.29Å; R145-D147 PolarHBondContact NE-OD2 3.42Å; R145-D147 IonicContact NH2-OD2 2.78Å; R145-D147 PolarHBondContact NH2-OD2 3.26Å; R145-D147 PolarHBondContact O-N 3.01Å; R145-D147 VanDerWaalsContact O-N 3.14Å
148M79.6Confident74.2Confident56 Ų5698.2 Ų98.228%0.27658%0.579SS.*SBendtrans-89136179-63.7-71.2-61.200109.7R145 L146 I152 V153R145-M148 HydrophobicContact CB-CB 4.35Å; R145-M148 HydrophobicContact CB-CG 3.69Å; R145-M148 WeakPolarHBondContact O-CB 3.31Å; R145-M148 PolarHBondContact O-N 3.38Å; L146-M148 VanDerWaalsContact C-N 3.35Å; M148-I152 HydrophobicContact CE-CB 4.33Å; M148-I152 HydrophobicContact CE-CG2 3.51Å; M148-V153 HydrophobicContact CB-CG2 3.84Å
149D82.3Confident74.7Confident102 Ų102101 Ų10155%0.54558%0.583SS.*  trans-60.4139.1177.2-69-38.3000110.7D151 I152 V153D149-D151 PolarHBondContact O-N 3.36Å; D149-D151 VanDerWaalsContact O-N 3.15Å; D149-I152 HydrophobicContact CB-CD1 4Å; D149-I152 HydrophobicContact CB-CG1 4.12Å; D149-I152 WeakPolarHBondContact O-CB 3.35Å; D149-I152 PolarHBondContact O-N 3.27Å; D149-V153 PolarHBondContact O-N 2.98Å; D149-V153 VanDerWaalsContact O-N 3.11Å
150P81.6Confident75.5Confident100 Ų100100.1 Ų100.165%0.64957%0.569SS**Hα-helixtrans-52.5-37.4-178.9-27.534.4000113.6I152 V153 A154P150-I152 VanDerWaalsContact C-N 3.34Å; P150-I152 PolarHBondContact O-N 2.71Å; P150-V153 PolarHBondContact O-N 2.94Å; P150-A154 WeakPolarHBondContact O-CB 3.19Å; P150-A154 PolarHBondContact O-N 3.23Å
151D80Confident76.4Confident103 Ų10398.7 Ų98.755%0.55156%0.555SS**Hα-helixtrans-67.6-35-179.9-58.8-13.1000111.9D149 A155 F160D149-D151 PolarHBondContact O-N 3.36Å; D149-D151 VanDerWaalsContact O-N 3.15Å; D151-A155 VanDerWaalsContact O-CB 3.29Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.16Å; D151-F160 HydrophobicContact CB-CE2 4.06Å
152I81.8Confident76.9Confident76 Ų76100.6 Ų100.639%0.3955%0.55SS.*Hα-helixtrans-71-38176-59.1173.9000109.9M148 D149 P150 A155 L156M148-I152 HydrophobicContact CE-CB 4.33Å; M148-I152 HydrophobicContact CE-CG2 3.51Å; D149-I152 HydrophobicContact CB-CD1 4Å; D149-I152 HydrophobicContact CB-CG1 4.12Å; D149-I152 WeakPolarHBondContact O-CB 3.35Å; D149-I152 PolarHBondContact O-N 3.27Å; P150-I152 VanDerWaalsContact C-N 3.34Å; P150-I152 PolarHBondContact O-N 2.71Å; I152-A155 PolarHBondContact O-N 3.16Å; I152-L156 HydrophobicContact CG2-CD1 4.28Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 3.49Å
153V82.3Confident77.9Confident56 Ų56101.8 Ų101.834%0.33955%0.547SS..Hα-helixtrans-64.9-48.8175.11780000110.2M148 D149 P150 A155 L156 D157M148-V153 HydrophobicContact CB-CG2 3.84Å; D149-V153 PolarHBondContact O-N 2.98Å; D149-V153 VanDerWaalsContact O-N 3.11Å; P150-V153 PolarHBondContact O-N 2.94Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.26Å; V153-L156 PolarHBondContact O-N 3.41Å; V153-L156 VanDerWaalsContact O-N 3.14Å; V153-D157 PolarHBondContact O-N 3.03Å
154A81.5Confident78.6Confident25 Ų25102.3 Ų102.321%0.20754%0.538CS..Hα-helixtrans-58.5-39.7176.100000112.1P150 D157 E158 D159 F160P150-A154 WeakPolarHBondContact O-CB 3.19Å; P150-A154 PolarHBondContact O-N 3.23Å; A154-D157 PolarHBondContact O-N 3Å; A154-E158 PolarHBondContact O-N 2.94Å; A154-D159 PolarHBondContact O-N 3.45Å; A154-F160 HydrophobicContact CB-CB 4.39Å; A154-F160 HydrophobicContact CB-CD2 4.34Å; A154-F160 PolarHBondContact O-N 3.22Å
155A81.6Confident79.3Confident39 Ų39101 Ų10132%0.32253%0.53SS..Hα-helixtrans-68.4-35.3176.700000113.3D151 I152 V153 D157 F160D151-A155 VanDerWaalsContact O-CB 3.29Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.16Å; I152-A155 PolarHBondContact O-N 3.16Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.26Å; A155-D157 VanDerWaalsContact C-N 3.34Å; A155-F160 HydrophobicContact CB-CB 4.03Å; A155-F160 HydrophobicContact CB-CD2 4.46Å; A155-F160 HydrophobicContact CB-CG 4.26Å
156L82.6Confident79.4Confident127 Ų127101.8 Ų101.867%0.66554%0.544SS*.Hα-helixtrans-71.1-30.6174.8-76171.3000112.6I152 V153 E158I152-L156 HydrophobicContact CG2-CD1 4.28Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 3.49Å; V153-L156 PolarHBondContact O-N 3.41Å; V153-L156 VanDerWaalsContact O-N 3.14Å; L156-E158 VanDerWaalsContact C-N 3.31Å
157D80.5Confident79.6Confident121 Ų12196.6 Ų96.665%0.64752%0.517SS*.THydrogen-bonded Turntrans-89.28.6179-72.3-19000113.3V153 A154 A155 D159V153-D157 PolarHBondContact O-N 3.03Å; A154-D157 PolarHBondContact O-N 3Å; A155-D157 VanDerWaalsContact C-N 3.34Å; D157-D159 PolarHBondContact O-N 2.98Å; D157-D159 VanDerWaalsContact O-N 3.12Å
158E76.4Confident79.3Confident182 Ų18297.5 Ų97.585%0.8552%0.519SS*.THydrogen-bonded Turntrans58.616.7-177.6-55.9-179.8-176.700114.2A154 L156A154-E158 PolarHBondContact O-N 2.94Å; L156-E158 VanDerWaalsContact C-N 3.31Å
159D77.9Confident79.2Confident137 Ų137100.6 Ų100.673%0.73354%0.536SS*.  trans-98.17-179.7-160.926.4000112.4A154 D157A154-D159 PolarHBondContact O-N 3.45Å; D157-D159 PolarHBondContact O-N 2.98Å; D157-D159 VanDerWaalsContact O-N 3.12Å
160F79.9Confident79Confident40 Ų40102 Ų10218%0.17554%0.54CS..  trans-80.4119177-169.1-94000110.9D151 A154 A155 Y162 N167D151-F160 HydrophobicContact CB-CE2 4.06Å; A154-F160 HydrophobicContact CB-CB 4.39Å; A154-F160 HydrophobicContact CB-CD2 4.34Å; A154-F160 PolarHBondContact O-N 3.22Å; A155-F160 HydrophobicContact CB-CB 4.03Å; A155-F160 HydrophobicContact CB-CD2 4.46Å; A155-F160 HydrophobicContact CB-CG 4.26Å; F160-Y162 AromaticContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD2 4.33Å; F160-Y162 AromaticContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE2 4.24Å; F160-Y162 HydrophobicContact CD1-CG 4.04Å; F160-Y162 AromaticContact CD1-CZ 3.84Å; F160-Y162 AromaticContact CE1-CD1 3.85Å; F160-Y162 HydrophobicContact CE1-CD1 3.85Å; F160-Y162 AromaticContact CE1-CE1 3.94Å; F160-Y162 HydrophobicContact CE1-CE1 3.94Å; F160-Y162 WeakPolarHBondContact O-CD2 3.02Å; F160-Y162 PolarHBondContact O-N 2.92Å; F160-N167 HydrophobicContact CE1-CB 4.02Å; F160-N167 HydrophobicContact CE2-CB 4.44Å; F160-N167 HydrophobicContact CZ-CB 3.69Å
161D81.3Confident78.8Confident86 Ų86105.2 Ų105.246%0.4655%0.551SS.*  trans-79.999.3177.7-166.8-13000110.6D163 D164 N167D161-D163 PolarHBondContact O-N 2.94Å; D161-D163 WeakPolarHBondContact OD1-CB 3.29Å; D161-D163 PolarHBondContact OD1-N 3.42Å; D161-D164 HydrophobicContact CB-CB 4.46Å; D161-N167 WeakPolarHBondContact O-CB 3.22Å; D161-N167 PolarHBondContact O-ND2 3.33Å
162Y77.5Confident78.8Confident158 Ų158105.2 Ų105.262%0.6255%0.551SS**THydrogen-bonded Turntrans-72.4-12.7177.5-64.1-78.5000113.8F160F160-Y162 AromaticContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD2 4.33Å; F160-Y162 AromaticContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE2 4.24Å; F160-Y162 HydrophobicContact CD1-CG 4.04Å; F160-Y162 AromaticContact CD1-CZ 3.84Å; F160-Y162 AromaticContact CE1-CD1 3.85Å; F160-Y162 HydrophobicContact CE1-CD1 3.85Å; F160-Y162 AromaticContact CE1-CE1 3.94Å; F160-Y162 HydrophobicContact CE1-CE1 3.94Å; F160-Y162 WeakPolarHBondContact O-CD2 3.02Å; F160-Y162 PolarHBondContact O-N 2.92Å
163D78.3Confident78.9Confident154 Ų154106.3 Ų106.382%0.82455%0.553SS**THydrogen-bonded Turntrans-93.3-8.2-177.5-68.1-38000112.6D161D161-D163 PolarHBondContact O-N 2.94Å; D161-D163 WeakPolarHBondContact OD1-CB 3.29Å; D161-D163 PolarHBondContact OD1-N 3.42Å
164D80.3Confident78.7Confident57 Ų57109.2 Ų109.231%0.30557%0.566SS.*  trans-73.8121.4174.4-165.5-23.8000110.5D161 D166 N167D161-D164 HydrophobicContact CB-CB 4.46Å; D164-D166 PolarHBondContact O-N 3.2Å; D164-D166 VanDerWaalsContact O-N 3.14Å; D164-D166 PolarHBondContact OD1-N 2.88Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å; D164-N167 HydrophobicContact CB-CB 4.09Å; D164-N167 WeakPolarHBondContact CB-ND2 3.4Å; D164-N167 PolarHBondContact O-N 3.1Å
165P77Confident78.5Confident95 Ų95113.6 Ų113.662%0.61759%0.585SS**G310 helixtrans-59-23.8178.525-36.5000113.9
166D74.9Confident78.3Confident145 Ų145118.4 Ų118.478%0.77560%0.599SS**G310 helixtrans-81.8-17.6179-67-20.4000112.5D164D164-D166 PolarHBondContact O-N 3.2Å; D164-D166 VanDerWaalsContact O-N 3.14Å; D164-D166 PolarHBondContact OD1-N 2.88Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å
167N75Confident78Confident58 Ų58115.1 Ų115.131%0.3159%0.59SS.*G310 helixtrans-90.8-2.6176.4-69.8-19000113F160 D161 D164F160-N167 HydrophobicContact CE1-CB 4.02Å; F160-N167 HydrophobicContact CE2-CB 4.44Å; F160-N167 HydrophobicContact CZ-CB 3.69Å; D161-N167 WeakPolarHBondContact O-CB 3.22Å; D161-N167 PolarHBondContact O-ND2 3.33Å; D164-N167 HydrophobicContact CB-CB 4.09Å; D164-N167 WeakPolarHBondContact CB-ND2 3.4Å; D164-N167 PolarHBondContact O-N 3.1Å
168M73.3Confident77.7Confident131 Ų131115 Ų11565%0.64559%0.589SS**SBendtrans-79.3131.1175.3-65.3-144.4-59.900110.8E170M168-E170 PolarHBondContact O-N 3.1Å
169L76.3Confident77.1Confident121 Ų121116.3 Ų116.363%0.63459%0.587SS**PPolyproline II helixtrans-59.6131.7173.2-66171.7000109.8F173L169-F173 HydrophobicContact CB-CB 4.27Å; L169-F173 HydrophobicContact CB-CG 4.38Å; L169-F173 HydrophobicContact CD1-CD1 4.04Å; L169-F173 HydrophobicContact CD1-CE1 4.13Å; L169-F173 HydrophobicContact CD1-CG 4.35Å; L169-F173 HydrophobicContact CD2-CD2 3.97Å; L169-F173 HydrophobicContact CD2-CE2 4.11Å; L169-F173 HydrophobicContact CD2-CG 4.26Å
170E78.7Confident75.7Confident131 Ų131115 Ų11561%0.61258%0.583SS**PPolyproline II helixtrans-53.6141.8172.7-62.6173177.100110.7M168 D172 F173M168-E170 PolarHBondContact O-N 3.1Å; E170-D172 PolarHBondContact O-N 3.45Å; E170-F173 WeakPolarHBondContact O-CB 3.42Å; E170-F173 PolarHBondContact O-N 3.23Å
171D78.4Confident74.4Confident168 Ų168123.8 Ų123.890%0.89862%0.621SS**THydrogen-bonded Turntrans-56.7-22.6179.8-73.1-23.9000113.1
172D79.9Confident72.8Confident102 Ų102123.1 Ų123.155%0.54564%0.635SS.*THydrogen-bonded Turntrans-87.91177.5-70.6-27.5000114E170 I174 L175 K176E170-D172 PolarHBondContact O-N 3.45Å; D172-I174 VanDerWaalsContact C-N 3.31Å; D172-I174 PolarHBondContact O-N 3.46Å; D172-L175 WeakPolarHBondContact O-CB 3.27Å; D172-L175 PolarHBondContact O-N 3.44Å; D172-K176 WeakPolarHBondContact O-CB 3.49Å; D172-K176 PolarHBondContact O-N 3.23Å
173F83.6Confident70.9Confident100 Ų100120.1 Ų120.144%0.43964%0.643SS.*Hα-helixtrans-54.6-44.1-177.7172.2-101.2000112.5L169 E170 L175 K176 A177L169-F173 HydrophobicContact CB-CB 4.27Å; L169-F173 HydrophobicContact CB-CG 4.38Å; L169-F173 HydrophobicContact CD1-CD1 4.04Å; L169-F173 HydrophobicContact CD1-CE1 4.13Å; L169-F173 HydrophobicContact CD1-CG 4.35Å; L169-F173 HydrophobicContact CD2-CD2 3.97Å; L169-F173 HydrophobicContact CD2-CE2 4.11Å; L169-F173 HydrophobicContact CD2-CG 4.26Å; E170-F173 WeakPolarHBondContact O-CB 3.42Å; E170-F173 PolarHBondContact O-N 3.23Å; F173-L175 VanDerWaalsContact C-N 3.32Å; F173-L175 PolarHBondContact O-N 3.35Å; F173-K176 PolarHBondContact O-N 2.7Å; F173-A177 VanDerWaalsContact O-CB 3.27Å; F173-A177 WeakPolarHBondContact O-CB 3.38Å; F173-A177 PolarHBondContact O-N 3.38Å
174I77.8Confident69.3Low117 Ų117119.2 Ų119.260%0.664%0.643SS**Hα-helixtrans-66.3-36.2179.9-62.7-176.1000111D172 N178D172-I174 VanDerWaalsContact C-N 3.31Å; D172-I174 PolarHBondContact O-N 3.46Å; I174-N178 WeakPolarHBondContact CG2-ND2 3.42Å; I174-N178 WeakPolarHBondContact O-CB 3.45Å; I174-N178 PolarHBondContact O-N 2.96Å; I174-N178 VanDerWaalsContact O-N 3.08Å; I174-N178 PolarHBondContact O-ND2 3.48Å
175L77.1Confident67.3Low117 Ų117124 Ų12461%0.61367%0.668SS**Hα-helixtrans-69.1-40.7175.4-83.4140.6000111.3D172 F173 R179D172-L175 WeakPolarHBondContact O-CB 3.27Å; D172-L175 PolarHBondContact O-N 3.44Å; F173-L175 VanDerWaalsContact C-N 3.32Å; F173-L175 PolarHBondContact O-N 3.35Å; L175-R179 WeakPolarHBondContact O-CG 3.21Å; L175-R179 PolarHBondContact O-N 3.35Å
176K76.9Confident65.7Low139 Ų139123.2 Ų123.260%0.60467%0.67SS**Hα-helixtrans-71.4-40.3179.9-160173.2-174.11770112.4D172 F173 R179D172-K176 WeakPolarHBondContact O-CB 3.49Å; D172-K176 PolarHBondContact O-N 3.23Å; F173-K176 PolarHBondContact O-N 2.7Å; K176-R179 WeakPolarHBondContact O-CB 3.28Å; K176-R179 PolarHBondContact O-N 3.46Å
177A76.8Confident63.9Low59 Ų59125.9 Ų125.949%0.48868%0.678SS.*Hα-helixtrans-68.9-35.4174.900000112.2F173 R179F173-A177 VanDerWaalsContact O-CB 3.27Å; F173-A177 WeakPolarHBondContact O-CB 3.38Å; F173-A177 PolarHBondContact O-N 3.38Å; A177-R179 VanDerWaalsContact C-N 3.34Å
178N74.6Confident62.1Low117 Ų117126.9 Ų126.963%0.62670%0.702SS**Hα-helixtrans-80.2-11.3175.1-72-35.5000113.8I174 T180I174-N178 WeakPolarHBondContact CG2-ND2 3.42Å; I174-N178 WeakPolarHBondContact O-CB 3.45Å; I174-N178 PolarHBondContact O-N 2.96Å; I174-N178 VanDerWaalsContact O-N 3.08Å; I174-N178 PolarHBondContact O-ND2 3.48Å; N178-T180 PolarHBondContact O-N 3.1Å
179R64.2Low60.3Low211 Ų211126.5 Ų126.580%0.79671%0.712SS**  trans-70.562.4163.2-80.6-176.5-179.6-1462.4109.7L175 K176 A177 K181L175-R179 WeakPolarHBondContact O-CG 3.21Å; L175-R179 PolarHBondContact O-N 3.35Å; K176-R179 WeakPolarHBondContact O-CB 3.28Å; K176-R179 PolarHBondContact O-N 3.46Å; A177-R179 VanDerWaalsContact C-N 3.34Å; R179-K181 PolarHBondContact O-N 3.26Å
180T47Very low58.5Low108 Ų108128 Ų12866%0.66372%0.721SS**  trans-55.8133.716452.40000108.2N178 G182N178-T180 PolarHBondContact O-N 3.1Å; T180-G182 VanDerWaalsContact C-N 3.26Å; T180-G182 PolarHBondContact O-N 3.32Å
181K52.9Low56.5Low225 Ų225129.3 Ų129.398%0.97873%0.732SS**SBendtrans-51.182.4174.3-75.8170.9169.91700111.1R179R179-K181 PolarHBondContact O-N 3.26Å
182G47.8Very low54.7Low72 Ų72127.8 Ų127.874%0.74272%0.724SS**  trans176.218.7-173.500000117.8T180T180-G182 VanDerWaalsContact C-N 3.26Å; T180-G182 PolarHBondContact O-N 3.32Å
183A38.2Very low52.7Low96 Ų96130 Ų13079%0.79374%0.736SS**  trans-129.896.7171.200000110.3
184V44.3Very low50.4Low135 Ų135133.7 Ų133.782%0.81875%0.754SS**  trans-64.3127.5156.6-92.70000108.7
185D39Very low48.4Very low156 Ų156140.2 Ų140.283%0.83477%0.772SS**  trans-17197.4150.7-84.7-32.2000105.3
186A43Very low46.4Very low80 Ų80143.3 Ų143.366%0.66178%0.783SS**  65.3125.383.300000112.9
187E37.8Very low44.6Very low201 Ų201143.4 Ų143.494%0.93979%0.79SS**  trans84.1119165.8-23.8-140.4-170.400114
188G37.3Very low42.6Very low79 Ų79146.2 Ų146.281%0.81480%0.801SS**  cis144.6113.81100000107.5
189S34Very low40.9Very low123 Ų123148 Ų14886%0.8681%0.811SS**  trans-167.3120.7155.3-1690000109.6
190D38.6Very low39.7Very low153 Ų153146.3 Ų146.382%0.81881%0.812SS**  trans-46.2138.3162.4-82.4-37.8000111.1
191D37.7Very low39.6Very low158 Ų158150.6 Ų150.685%0.84582%0.824SS**  -143.2123.7119.9-139.2-2.1000108.7
192D39.8Very low38.8Very low136 Ų136143.1 Ų143.173%0.72781%0.812SS**  trans-55.2140.1165.7-103.8-35.8000108.7
193D38.7Very low38.4Very low149 Ų149147.4 Ų147.480%0.79782%0.817SS**  trans-175.7102.8133.4-86.2-26.3000110.3
194E35.8Very low38.5Very low176 Ų176151.3 Ų151.382%0.82282%0.817SS**  trans62.290.9131.6-152.3158.7-15200118.8E196E194-E196 PolarHBondContact O-N 3.18Å
195W35.2Very low38.2Very low255 Ų255152 Ų15297%0.96682%0.816SS**  trans-71.5110160-67.187.9000110.3
196E34.5Very low38.2Very low182 Ų182148.9 Ų148.985%0.8581%0.806SS**  trans-105.7109.7157.8-152.5173.8-150.300108.4E194 T198E194-E196 PolarHBondContact O-N 3.18Å; E196-T198 PolarHBondContact O-N 3.19Å
197D38.8Very low38.1Very low141 Ų141152.4 Ų152.475%0.75481%0.814SS**  trans-50.7125.2169.7-85.2-36000110.3
198T34.9Very low38Very low117 Ų117146.2 Ų146.272%0.71880%0.804SS**  trans-143.4101149.4-65.60000108.5E196 E200E196-T198 PolarHBondContact O-N 3.19Å; T198-E200 PolarHBondContact O-N 3.5Å
199D39.8Very low37.9Very low154 Ų154145.4 Ų145.482%0.82480%0.796SS**  trans-60.3115160.6-54-49.2000108.8
200E38.7Very low37.8Very low176 Ų176149.3 Ų149.382%0.82280%0.798SS**  trans-147.1104.8157-159.8146.6-160.400111.3T198 G202T198-E200 PolarHBondContact O-N 3.5Å; E200-G202 PolarHBondContact O-N 2.99Å
201E45.6Very low37.6Very low198 Ų198147.1 Ų147.193%0.92579%0.794SS**  trans-55.2122.9164-63.2-87.8176.400109.6
202G35.7Very low37.5Very low69 Ų69142.8 Ų142.871%0.71179%0.787SS**  trans-155.975.9-178.400000112.8E200 F204E200-G202 PolarHBondContact O-N 2.99Å; G202-F204 PolarHBondContact O-N 3.42Å
203D39.5Very low37.3Very low162 Ų162143.4 Ų143.487%0.86679%0.79SS**  trans-63.5109163.6-131-2000108.3
204F40Very low37.2Very low178 Ų178145.4 Ų145.478%0.78180%0.795SS**  trans-109.581.5175.5-160.1-99.2000110.5G202 S206G202-F204 PolarHBondContact O-N 3.42Å; F204-S206 PolarHBondContact O-N 2.86Å
205D37.3Very low37.6Very low148 Ų148145.4 Ų145.479%0.79180%0.795SS**  trans-72.1102.8158.6-84.3-39.2000108.8D207D205-D207 PolarHBondContact O-N 3.22Å
206S40.7Very low37.5Very low91 Ų91141.4 Ų141.464%0.63679%0.791SS**  trans-8788.1176.8-170.10000111.6F204 G208F204-S206 PolarHBondContact O-N 2.86Å; S206-G208 PolarHBondContact O-N 3.15Å
207D39.2Very low37.7Very low154 Ų154141.8 Ų141.882%0.82479%0.793SS**  trans-68.2100.8161.1-176.928.8000109.9D205 G209D205-D207 PolarHBondContact O-N 3.22Å; D207-G209 PolarHBondContact O-N 2.57Å; D207-G209 VanDerWaalsContact O-N 3.12Å
208G36.6Very low37.4Very low71 Ų71139 Ų13973%0.73280%0.798SS**  trans-77.687.7175.700000111.9S206 F210S206-G208 PolarHBondContact O-N 3.15Å; G208-F210 PolarHBondContact O-N 3.46Å
209G34.5Very low37.2Very low62 Ų62137.3 Ų137.364%0.63980%0.804SS**  trans-65.1121.9174.800000113.6D207 S211D207-G209 PolarHBondContact O-N 2.57Å; D207-G209 VanDerWaalsContact O-N 3.12Å; G209-S211 PolarHBondContact O-N 3.42Å; G209-S211 VanDerWaalsContact O-N 3.15Å
210F31.6Very low37.4Very low205 Ų205133.6 Ų133.690%0.89980%0.802SS**  trans-79.390.9168.4-167.1-101000109.6G208G208-F210 PolarHBondContact O-N 3.46Å
211S36.1Very low37.2Very low107 Ų107132.4 Ų132.475%0.74880%0.796SS**PPolyproline II helixtrans-78.4133.5168.158.10000110.4G209G209-S211 PolarHBondContact O-N 3.42Å; G209-S211 VanDerWaalsContact O-N 3.15Å
212G34.8Very low37Very low67 Ų67131 Ų13169%0.69180%0.795SS**PPolyproline II helixtrans-58.5152.4179.700000114.1E214G212-E214 PolarHBondContact O-N 2.84Å
213D36.2Very low37.6Very low150 Ų150130.2 Ų130.280%0.80279%0.787SS**PPolyproline II helixtrans-73119.4-176.288.3-73.4000111.5
214E36.2Very low37.8Very low190 Ų190130.3 Ų130.389%0.88878%0.782SS**  trans-113.3110.6150.6-73.9-164.2166.300107.5G212 L216G212-E214 PolarHBondContact O-N 2.84Å; E214-L216 PolarHBondContact O-N 3.15Å
215Q44.5Very low37.7Very low177 Ų177128.8 Ų128.883%0.82778%0.775SS**  trans-14.9113.4159.2-155.7115.273.900115.8
216L33Very low38.2Very low170 Ų170128.8 Ų128.889%0.8977%0.774SS**  trans-138117.8154.2-158100.1000110.5E214E214-L216 PolarHBondContact O-N 3.15Å
217E38.9Very low38.4Very low190 Ų190132.8 Ų132.889%0.88878%0.78SS**  trans-68.4137.2168-75.3-179.9135.500111.1
218G32.3Very low38.7Very low83 Ų83132 Ų13286%0.85677%0.773SS**  trans131.8103.9145.800000116.8
219G31Very low39.2Very low82 Ų82135.8 Ų135.885%0.84578%0.777SS**  trans108.195.614100000117.9
220G42.3Very low40Very low75 Ų75138.6 Ų138.677%0.77377%0.774SS**  trans66.584.8140.100000118.6
221H35.3Very low40.9Very low152 Ų152136.5 Ų136.570%0.70477%0.766SS**  trans-153.2109.2145.1-120.4-66.3000109.3G223H221-G223 PolarHBondContact O-N 3.03Å
222D41.8Very low41.7Very low169 Ų169133.7 Ų133.790%0.90475%0.745SS**THydrogen-bonded Turntrans-84.237.5-176.355.2-30.5000113.1
223G47.8Very low42.5Very low52 Ų52138 Ų13854%0.53675%0.745SS.*THydrogen-bonded Turntrans-129.5-14.2-176.700000116.9H221H221-G223 PolarHBondContact O-N 3.03Å
224E43.3Very low43.6Very low163 Ų163131.3 Ų131.376%0.76271%0.71SS**SBendtrans-117.313.8-163.5-64.8-173.9171.900115.5
225F38.3Very low44.7Very low147 Ų147127.7 Ų127.765%0.64569%0.688SS**  trans-108.24-177.9-78.5-79.6000115.5F227 M228F225-F227 PolarHBondContact O-N 3.11Å; F225-M228 HydrophobicContact CD1-SD 4.12Å; F225-M228 HydrophobicContact CE1-SD 4.17Å
226L47Very low45.2Very low147 Ų147124.7 Ų124.777%0.7767%0.673SS**THydrogen-bonded Turntrans-76.9-19.2-178.1-72.1172.3000114
227F46.1Very low46.3Very low175 Ų175118.9 Ų118.977%0.76864%0.644SS**THydrogen-bonded Turntrans-93.3-3-177.9-64.6-76.2000114.4F225F225-F227 PolarHBondContact O-N 3.11Å
228M46.2Very low47.2Very low137 Ų137117.4 Ų117.468%0.67564%0.637SS**SBendtrans-85.2-17.4-174.8-153155.1136.700113.1F225F225-M228 HydrophobicContact CD1-SD 4.12Å; F225-M228 HydrophobicContact CE1-SD 4.17Å
229N46.5Very low48.4Very low152 Ų152120.9 Ų120.981%0.81363%0.626SS**SBendtrans-98.9-8-179.1-66.7-27.5000113.8
230E51.6Low49.1Very low121 Ų121119.5 Ų119.557%0.56560%0.603SS**  trans-105.574.3173.2-80.5176.4160.800108.7T232E230-T232 HydrophobicContact CB-CG2 4.49Å; E230-T232 PolarHBondContact O-N 3.1Å
231E50.6Low49.5Very low160 Ų160124.7 Ų124.775%0.74861%0.612SS**  trans-65.878.2168.6-72.9-170.8138.900109.7K233E231-K233 PolarHBondContact O-N 3.39Å
232T51.5Low50.1Low49 Ų49123.8 Ų123.830%0.30162%0.617SS.*  trans-76.218.9172.257.90000112.6E230 S234 V245 R248E230-T232 HydrophobicContact CB-CG2 4.49Å; E230-T232 PolarHBondContact O-N 3.1Å; T232-S234 PolarHBondContact O-N 3.45Å; T232-V245 VanDerWaalsContact OG1-CG1 3.31Å; T232-V245 WeakPolarHBondContact OG1-CG1 3.46Å; T232-R248 PolarHBondContact O-NH2 3.14Å; T232-R248 VanDerWaalsContact O-NH2 3.15Å
233K53.2Low50.3Low156 Ų156118.7 Ų118.768%0.67860%0.595SS**  trans-72.176.6178.4-69.8177.6-178.7166.80109.1E231E231-K233 PolarHBondContact O-N 3.39Å
234S59.3Low50.3Low11 Ų11121.3 Ų121.38%0.07761%0.605CS.*  trans-68.5148.2166175.70000109.2T232 F236 T237 E260T232-S234 PolarHBondContact O-N 3.45Å; S234-F236 PolarHBondContact O-N 3.33Å; S234-T237 PolarHBondContact O-N 2.94Å; S234-T237 PolarHBondContact O-OG1 3.31Å; S234-E260 WeakPolarHBondContact CA-OE1 3.15Å; S234-E260 WeakPolarHBondContact CB-OE1 3.41Å; S234-E260 PolarHBondContact OG-OE1 3.01Å
235R57.7Low51Low114 Ų114118 Ų11843%0.4360%0.596SS.*G310 helixtrans-48.7-26.8175.4-63.5174.269.478.6-7.6112.6Y239 D267R235-Y239 VanDerWaalsContact O-CD2 3.22Å; R235-Y239 WeakPolarHBondContact O-CD2 3.31Å; R235-Y239 WeakPolarHBondContact O-CE2 3.49Å; R235-D267 IonicContact CZ-OD1 2.57Å; R235-D267 IonicContact CZ-OD2 3.23Å; R235-D267 IonicContact NE-OD1 3.94Å; R235-D267 VanDerWaalsContact NH2-CG 3.28Å; R235-D267 IonicContact NH2-OD1 3.91Å; R235-D267 PolarHBondContact NH2-OD1 3.32Å; R235-D267 IonicContact NH2-OD2 3.42Å; R235-D267 PolarHBondContact NH2-OD2 3.02Å
236F55Low52.1Low114 Ų114118.3 Ų118.350%0.560%0.601SS.*G310 helixtrans-77.6-27.1-180-146.9-98.4000114.5S234 E238 Y239 F259S234-F236 PolarHBondContact O-N 3.33Å; F236-E238 PolarHBondContact O-N 2.84Å; F236-Y239 PolarHBondContact O-N 3.47Å; F236-F259 HydrophobicContact CD2-CE1 4.23Å; F236-F259 HydrophobicContact CE2-CE1 4.48Å
237T57.4Low52.9Low48 Ų48122.1 Ų122.129%0.29461%0.605SS.*G310 helixtrans-68.5-15.3-178.760.90000113.1S234S234-T237 PolarHBondContact O-N 2.94Å; S234-T237 PolarHBondContact O-OG1 3.31Å
238E56.4Low54Low158 Ų158117.2 Ų117.274%0.73858%0.582SS**G310 helixtrans-84.1-18.6177.1-64-169.2163.900113.8F236F236-E238 PolarHBondContact O-N 2.84Å
239Y57.6Low55.4Low156 Ų156114.6 Ų114.661%0.61257%0.571SS**THydrogen-bonded Turntrans-88.8-17.8-176.3-63.7-74.9000114.1R235 F236R235-Y239 VanDerWaalsContact O-CD2 3.22Å; R235-Y239 WeakPolarHBondContact O-CD2 3.31Å; R235-Y239 WeakPolarHBondContact O-CE2 3.49Å; F236-Y239 PolarHBondContact O-N 3.47Å
240S47.1Very low56.9Low53 Ų53115.2 Ų115.237%0.37157%0.569SS.*  trans-118108.4178.3-99.30000111.8T242 S243S240-T242 PolarHBondContact O-N 3.3Å; S240-T242 VanDerWaalsContact O-N 3.13Å; S240-S243 WeakPolarHBondContact CB-OG 3.26Å; S240-S243 PolarHBondContact O-OG 3.14Å
241L50Low58.1Low184 Ų184116.6 Ų116.696%0.96358%0.575SS**THydrogen-bonded Turntrans-70.50.6173.7-71.8160.9000113.6
242T47.9Very low59.2Low133 Ų133112.8 Ų112.882%0.81656%0.559SS**THydrogen-bonded Turntrans-120.9-3.1-176.239.50000114.4S240 S244S240-T242 PolarHBondContact O-N 3.3Å; S240-T242 VanDerWaalsContact O-N 3.13Å; T242-S244 PolarHBondContact O-N 2.86Å
243S45.3Very low60.5Low62 Ų62112.3 Ų112.343%0.43456%0.558SS.*  trans-88105.8177.754.70000110.3S240S240-S243 WeakPolarHBondContact CB-OG 3.26Å; S240-S243 PolarHBondContact O-OG 3.14Å
244S49.6Very low61.9Low107 Ų107109.1 Ų109.175%0.74855%0.548SS*.  trans-61.8133.3171.4-166.50000110.2T242 M246T242-S244 PolarHBondContact O-N 2.86Å; S244-M246 PolarHBondContact O-N 3.21Å
245V56.6Low63Low95 Ų95113.5 Ų113.558%0.57657%0.57SS**  trans-74.190.2176178.70000107.8T232T232-V245 VanDerWaalsContact OG1-CG1 3.31Å; T232-V245 WeakPolarHBondContact OG1-CG1 3.46Å
246M61.1Low64.1Low152 Ų152110.3 Ų110.375%0.74956%0.562SS**  trans-74.9149.1168.1-60.7-156.1-56.100110S244 R248S244-M246 PolarHBondContact O-N 3.21Å; M246-R248 PolarHBondContact O-N 3.38Å
247R63.8Low65.4Low227 Ų227108.8 Ų108.886%0.85756%0.559SS**  trans-62.4107.8173.7-163.6176.683.992.1-1.2108.8
248R69.1Low66.7Low73 Ų73115 Ų11528%0.27558%0.577SS.*  trans-76.8138.6179.4-68.7-174.5-85.6136.5-7.9109.8T232 M246 L252 D256T232-R248 PolarHBondContact O-NH2 3.14Å; T232-R248 VanDerWaalsContact O-NH2 3.15Å; M246-R248 PolarHBondContact O-N 3.38Å; R248-L252 HydrophobicContact CB-CB 4.21Å; R248-D256 WeakPolarHBondContact CD-OD2 3.49Å; R248-D256 IonicContact CZ-OD2 3.53Å; R248-D256 VanDerWaalsContact CZ-OD2 3.23Å; R248-D256 IonicContact NE-OD2 2.78Å; R248-D256 PolarHBondContact NE-OD2 3.14Å; R248-D256 IonicContact NH1-OD2 3.45Å; R248-D256 PolarHBondContact NH1-OD2 3.45Å
249N75.9Confident67.8Low82 Ų82111.8 Ų111.844%0.43956%0.56SS.*  trans-70164.1171.472.121.6000110.8Q251 L252 S253N249-Q251 PolarHBondContact O-N 3.15Å; N249-Q251 VanDerWaalsContact O-N 3.16Å; N249-Q251 PolarHBondContact OD1-N 3.34Å; N249-L252 PolarHBondContact O-N 3.01Å; N249-L252 VanDerWaalsContact O-N 3.16Å; N249-L252 VanDerWaalsContact OD1-CB 3.22Å; N249-L252 WeakPolarHBondContact OD1-CB 3.41Å; N249-L252 WeakPolarHBondContact OD1-CD1 3.46Å; N249-L252 WeakPolarHBondContact OD1-CG 3.38Å; N249-L252 PolarHBondContact OD1-N 3.1Å; N249-S253 PolarHBondContact O-N 3.05Å
250E77.8Confident68.9Low165 Ų165107 Ų10777%0.77154%0.544SS*.Hα-helixtrans-60.7-25.8-178.1-169.1-179.7176.600112.8S253 L254E250-S253 WeakPolarHBondContact CA-OG 3.41Å; E250-S253 PolarHBondContact O-OG 2.81Å; E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.47Å; E250-L254 PolarHBondContact O-N 2.99Å
251Q77.2Confident70.6Confident149 Ų149111 Ų11170%0.69655%0.554SS**Hα-helixtrans-78.4-35.9178.2-66-177.7-11.600112.5N249 L254 L255N249-Q251 PolarHBondContact O-N 3.15Å; N249-Q251 VanDerWaalsContact O-N 3.16Å; N249-Q251 PolarHBondContact OD1-N 3.34Å; Q251-L254 PolarHBondContact O-N 3.03Å; Q251-L255 PolarHBondContact O-N 3.17Å
252L73.4Confident72Confident80 Ų80107.2 Ų107.242%0.41953%0.53SS..Hα-helixtrans-72.7-37.8175.8-71.8167.8000110.5R248 N249 L254 L255 D256R248-L252 HydrophobicContact CB-CB 4.21Å; N249-L252 PolarHBondContact O-N 3.01Å; N249-L252 VanDerWaalsContact O-N 3.16Å; N249-L252 VanDerWaalsContact OD1-CB 3.22Å; N249-L252 WeakPolarHBondContact OD1-CB 3.41Å; N249-L252 WeakPolarHBondContact OD1-CD1 3.46Å; N249-L252 WeakPolarHBondContact OD1-CG 3.38Å; N249-L252 PolarHBondContact OD1-N 3.1Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 3.17Å; L252-L255 HydrophobicContact CD2-CD1 4.35Å; L252-L255 WeakPolarHBondContact O-CB 3.4Å; L252-L255 PolarHBondContact O-N 3.39Å; L252-L255 VanDerWaalsContact O-N 3.1Å; L252-D256 PolarHBondContact O-N 3.1Å; L252-D256 VanDerWaalsContact O-OD2 3.11Å
253S79.1Confident73.2Confident39 Ų39105.9 Ų105.927%0.27351%0.511SS..Hα-helixtrans-60.5-38.9172.265.10000112.1N249 E250 L255 D256 D257N249-S253 PolarHBondContact O-N 3.05Å; E250-S253 WeakPolarHBondContact CA-OG 3.41Å; E250-S253 PolarHBondContact O-OG 2.81Å; S253-L255 VanDerWaalsContact C-N 3.33Å; S253-L255 PolarHBondContact O-N 3.48Å; S253-D256 PolarHBondContact O-N 3.5Å; S253-D257 VanDerWaalsContact O-CG 3.31Å; S253-D257 PolarHBondContact O-N 2.9Å
254L82.8Confident74.6Confident90 Ų90108.9 Ų108.947%0.47152%0.518SS..Hα-helixtrans-66-31.6174.1-71.7172.6000113.6E250 Q251 L252 R258E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.47Å; E250-L254 PolarHBondContact O-N 2.99Å; Q251-L254 PolarHBondContact O-N 3.03Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 3.17Å; L254-R258 VanDerWaalsContact O-CG 3.28Å; L254-R258 WeakPolarHBondContact O-CG 3.49Å; L254-R258 PolarHBondContact O-N 2.96Å
255L81.8Confident75.5Confident102 Ų102110.7 Ų110.753%0.53452%0.515SS..Hα-helixtrans-70.8-41.6174.5-73.5178.1000110.9Q251 L252 S253 R258 F259Q251-L255 PolarHBondContact O-N 3.17Å; L252-L255 HydrophobicContact CD2-CD1 4.35Å; L252-L255 WeakPolarHBondContact O-CB 3.4Å; L252-L255 PolarHBondContact O-N 3.39Å; L252-L255 VanDerWaalsContact O-N 3.1Å; S253-L255 VanDerWaalsContact C-N 3.33Å; S253-L255 PolarHBondContact O-N 3.48Å; L255-R258 PolarHBondContact O-N 3.48Å; L255-F259 WeakPolarHBondContact O-CB 3.46Å; L255-F259 PolarHBondContact O-N 3.02Å
256D81Confident75.9Confident48 Ų48111 Ų11126%0.25751%0.509SS..Hα-helixtrans-64.6-42176.9-66.7-40.1000111.2R248 L252 S253 R258 F259 E260R248-D256 WeakPolarHBondContact CD-OD2 3.49Å; R248-D256 IonicContact CZ-OD2 3.53Å; R248-D256 VanDerWaalsContact CZ-OD2 3.23Å; R248-D256 IonicContact NE-OD2 2.78Å; R248-D256 PolarHBondContact NE-OD2 3.14Å; R248-D256 IonicContact NH1-OD2 3.45Å; R248-D256 PolarHBondContact NH1-OD2 3.45Å; L252-D256 PolarHBondContact O-N 3.1Å; L252-D256 VanDerWaalsContact O-OD2 3.11Å; S253-D256 PolarHBondContact O-N 3.5Å; D256-R258 VanDerWaalsContact C-N 3.28Å; D256-R258 PolarHBondContact O-N 3.36Å; D256-F259 PolarHBondContact O-N 2.93Å; D256-F259 VanDerWaalsContact O-N 3.14Å; D256-E260 WeakPolarHBondContact O-CG 3.28Å; D256-E260 PolarHBondContact O-N 3.24Å
257D82Confident76Confident82 Ų82107.1 Ų107.144%0.43949%0.491SS..Hα-helixtrans-60.4-35.3173.5-71.7-10.7000113.1S253 K261S253-D257 VanDerWaalsContact O-CG 3.31Å; S253-D257 PolarHBondContact O-N 2.9Å; D257-K261 WeakPolarHBondContact O-CG 3.25Å; D257-K261 PolarHBondContact O-N 3.31Å
258R84.9Confident75.7Confident178 Ų178101.8 Ų101.867%0.67248%0.479SS*.Hα-helixtrans-74.7-37176.3-74.5175.7-173-158.64.5111.5L254 L255 D256 K261 F262L254-R258 VanDerWaalsContact O-CG 3.28Å; L254-R258 WeakPolarHBondContact O-CG 3.49Å; L254-R258 PolarHBondContact O-N 2.96Å; L255-R258 PolarHBondContact O-N 3.48Å; D256-R258 VanDerWaalsContact C-N 3.28Å; D256-R258 PolarHBondContact O-N 3.36Å; R258-K261 PolarHBondContact O-N 3.25Å; R258-F262 PolarHBondContact O-N 3.33Å; R258-F262 VanDerWaalsContact O-N 3.14Å
259F79.1Confident75.2Confident91 Ų91106.4 Ų106.440%0.39951%0.509SS..Hα-helixtrans-68.6-38.6177.6-170.1-100.5000111.1F236 L255 D256 K261 F262 Y263F236-F259 HydrophobicContact CD2-CE1 4.23Å; F236-F259 HydrophobicContact CE2-CE1 4.48Å; L255-F259 WeakPolarHBondContact O-CB 3.46Å; L255-F259 PolarHBondContact O-N 3.02Å; D256-F259 PolarHBondContact O-N 2.93Å; D256-F259 VanDerWaalsContact O-N 3.14Å; F259-K261 PolarHBondContact O-N 2.77Å; F259-F262 HydrophobicContact CE2-CD1 4.5Å; F259-F262 WeakPolarHBondContact O-CB 3.45Å; F259-F262 PolarHBondContact O-N 3.2Å; F259-F262 VanDerWaalsContact O-N 3.11Å; F259-Y263 HydrophobicContact CD1-CD2 4.37Å; F259-Y263 AromaticContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CE2 4.01Å; F259-Y263 HydrophobicContact CE2-CD2 4.49Å; F259-Y263 AromaticContact CZ-CD2 3.66Å; F259-Y263 HydrophobicContact CZ-CD2 3.66Å; F259-Y263 AromaticContact CZ-CE2 3.82Å; F259-Y263 HydrophobicContact CZ-CE2 3.82Å; F259-Y263 PolarHBondContact O-N 3.08Å
260E81.6Confident74.3Confident55 Ų55110.9 Ų110.926%0.25753%0.528SS..Hα-helixtrans-59.1-45.3173.1-75.2-174.6-177.800111.8S234 D256 F262 Y263 E264S234-E260 WeakPolarHBondContact CA-OE1 3.15Å; S234-E260 WeakPolarHBondContact CB-OE1 3.41Å; S234-E260 PolarHBondContact OG-OE1 3.01Å; D256-E260 WeakPolarHBondContact O-CG 3.28Å; D256-E260 PolarHBondContact O-N 3.24Å; E260-F262 VanDerWaalsContact C-N 3.28Å; E260-F262 PolarHBondContact O-N 2.72Å; E260-Y263 CarbonylContact O-C 3.51Å; E260-Y263 PolarHBondContact O-N 3.13Å; E260-Y263 VanDerWaalsContact O-N 3.09Å; E260-E264 WeakPolarHBondContact O-CG 3.48Å; E260-E264 PolarHBondContact O-N 3.31Å
261K82.4Confident73.2Confident137 Ų137108.7 Ų108.760%0.59652%0.52SS*.Hα-helixtrans-63.2-29.9174.1-72.1174.3-175.6169.70114.2D257 R258 F259D257-K261 WeakPolarHBondContact O-CG 3.25Å; D257-K261 PolarHBondContact O-N 3.31Å; R258-K261 PolarHBondContact O-N 3.25Å; F259-K261 PolarHBondContact O-N 2.77Å
262F79.7Confident72.1Confident105 Ų105104.1 Ų104.146%0.46151%0.513SS..Hα-helixtrans-71.3-41172.9174.4-99.5000110.6R258 F259 E260 Q265 F266R258-F262 PolarHBondContact O-N 3.33Å; R258-F262 VanDerWaalsContact O-N 3.14Å; F259-F262 HydrophobicContact CE2-CD1 4.5Å; F259-F262 WeakPolarHBondContact O-CB 3.45Å; F259-F262 PolarHBondContact O-N 3.2Å; F259-F262 VanDerWaalsContact O-N 3.11Å; E260-F262 VanDerWaalsContact C-N 3.28Å; E260-F262 PolarHBondContact O-N 2.72Å; F262-Q265 PolarHBondContact O-N 3.24Å; F262-F266 HydrophobicContact CD1-CE2 4.25Å; F262-F266 HydrophobicContact CE1-CD2 4.36Å; F262-F266 AromaticContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CZ 4.48Å; F262-F266 HydrophobicContact CE2-CE2 4.11Å; F262-F266 AromaticContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CZ 4.11Å; F262-F266 WeakPolarHBondContact O-CD2 3.41Å
263Y72.3Confident71Confident105 Ų105105 Ų10541%0.41253%0.532SS..Hα-helixtrans-76-23.3-178.3-125.1-82.6000114.2F259 E260 Q265 F266 D267F259-Y263 HydrophobicContact CD1-CD2 4.37Å; F259-Y263 AromaticContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CE2 4.01Å; F259-Y263 HydrophobicContact CE2-CD2 4.49Å; F259-Y263 AromaticContact CZ-CD2 3.66Å; F259-Y263 HydrophobicContact CZ-CD2 3.66Å; F259-Y263 AromaticContact CZ-CE2 3.82Å; F259-Y263 HydrophobicContact CZ-CE2 3.82Å; F259-Y263 PolarHBondContact O-N 3.08Å; E260-Y263 CarbonylContact O-C 3.51Å; E260-Y263 PolarHBondContact O-N 3.13Å; E260-Y263 VanDerWaalsContact O-N 3.09Å; Y263-Q265 PolarHBondContact O-N 3.07Å; Y263-Q265 VanDerWaalsContact O-N 3.09Å; Y263-F266 HydrophobicContact CD1-CB 4.25Å; Y263-F266 HydrophobicContact CE1-CB 4.36Å; Y263-F266 WeakPolarHBondContact O-CA 3.19Å; Y263-F266 PolarHBondContact O-N 2.83Å; Y263-D267 PolarHBondContact O-N 2.91Å
264E75.7Confident69.8Low124 Ų124110.4 Ų110.458%0.57956%0.557SS**G310 helixtrans-53-27169.7-80.5176.5176.500112.8E260 F266E260-E264 WeakPolarHBondContact O-CG 3.48Å; E260-E264 PolarHBondContact O-N 3.31Å; E264-F266 PolarHBondContact O-N 2.89Å
265Q68.1Low68.2Low145 Ų145113.4 Ų113.468%0.67857%0.573SS**G310 helixtrans-75.1-13.4176.8-61.5174.231.900113.3F262 Y263F262-Q265 PolarHBondContact O-N 3.24Å; Y263-Q265 PolarHBondContact O-N 3.07Å; Y263-Q265 VanDerWaalsContact O-N 3.09Å
266F65.9Low66.6Low103 Ų103115.1 Ų115.145%0.45258%0.583SS.*G310 helixtrans-114.114.3-177.9-60.8-82.8000112.2F262 Y263 E264 D268F262-F266 HydrophobicContact CD1-CE2 4.25Å; F262-F266 HydrophobicContact CE1-CD2 4.36Å; F262-F266 AromaticContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CZ 4.48Å; F262-F266 HydrophobicContact CE2-CE2 4.11Å; F262-F266 AromaticContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CZ 4.11Å; F262-F266 WeakPolarHBondContact O-CD2 3.41Å; Y263-F266 HydrophobicContact CD1-CB 4.25Å; Y263-F266 HydrophobicContact CE1-CB 4.36Å; Y263-F266 WeakPolarHBondContact O-CA 3.19Å; Y263-F266 PolarHBondContact O-N 2.83Å; E264-F266 PolarHBondContact O-N 2.89Å; F266-D268 PolarHBondContact O-N 2.59Å
267D62Low65.4Low70 Ų70116.7 Ų116.737%0.37460%0.603SS.*  trans-59.6134.6177.8-95.45.8000111.3R235 Y263 D269R235-D267 IonicContact CZ-OD1 2.57Å; R235-D267 IonicContact CZ-OD2 3.23Å; R235-D267 IonicContact NE-OD1 3.94Å; R235-D267 VanDerWaalsContact NH2-CG 3.28Å; R235-D267 IonicContact NH2-OD1 3.91Å; R235-D267 PolarHBondContact NH2-OD1 3.32Å; R235-D267 IonicContact NH2-OD2 3.42Å; R235-D267 PolarHBondContact NH2-OD2 3.02Å; Y263-D267 PolarHBondContact O-N 2.91Å; D267-D269 PolarHBondContact O-N 3.33Å
268D58.7Low64.2Low114 Ų114119.3 Ų119.361%0.6161%0.612SS**THydrogen-bonded Turntrans-55-1.2-157.3-73.6-30.5000118.6F266 E270 I271F266-D268 PolarHBondContact O-N 2.59Å; D268-E270 VanDerWaalsContact C-N 3.34Å; D268-I271 VanDerWaalsContact OD1-CD1 3.31Å; D268-I271 WeakPolarHBondContact OD1-CD1 3.12Å
269D56.9Low62.8Low170 Ų170119.4 Ų119.491%0.90963%0.625SS**THydrogen-bonded Turntrans-80-15.3-179.9-73.7-16.2000113D267D267-D269 PolarHBondContact O-N 3.33Å
270E56.8Low61.8Low176 Ų176122.5 Ų122.582%0.82264%0.641SS**SBendtrans-113.58.6174.7-83.8-175.8171.300114.3D268 G272D268-E270 VanDerWaalsContact C-N 3.34Å; E270-G272 PolarHBondContact O-N 3.11Å
271I56.2Low60.9Low119 Ų119123.1 Ų123.161%0.6166%0.662SS**  trans-82.660.3167.9-49.3-177.6000109.2D268D268-I271 VanDerWaalsContact OD1-CD1 3.31Å; D268-I271 WeakPolarHBondContact OD1-CD1 3.12Å
272G53.5Low60.4Low53 Ų53124.6 Ų124.655%0.54667%0.669SS.*SBendtrans-95.8169.9155.300000108.9E270 L274E270-G272 PolarHBondContact O-N 3.11Å; G272-L274 PolarHBondContact O-N 3.45Å
273A50.3Low60.2Low100 Ų100124.3 Ų124.383%0.82667%0.671SS**  trans-50.9121.9157.300000105.6D275A273-D275 PolarHBondContact O-N 2.88Å
274L53Low60.4Low151 Ų151125.4 Ų125.479%0.79168%0.68SS**  trans-48.9103153.9-144.978.9000101.9G272 N276G272-L274 PolarHBondContact O-N 3.45Å; L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.91Å
275D49.4Very low60.4Low153 Ų153124 Ų12482%0.81868%0.682SS**  trans-46.1113.9163.2-127.71.4000100.3A273 A277A273-D275 PolarHBondContact O-N 2.88Å; D275-A277 PolarHBondContact O-N 3.09Å
276N49.5Very low60.9Low139 Ų139124 Ų12474%0.74369%0.686SS**  trans-49.9103.9-176.7-65-63.3000102.5L274 E278L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.91Å; N276-E278 HydrophobicContact CB-CG 4.29Å; N276-E278 PolarHBondContact O-N 3.17Å
277A54.6Low61.9Low80 Ų80120.3 Ų120.366%0.66167%0.673SS**  trans-67.783.8159.40000097.6D275 L279D275-A277 PolarHBondContact O-N 3.09Å; A277-L279 PolarHBondContact O-N 3.41Å
278E57.3Low63Low138 Ų138120.7 Ų120.765%0.64569%0.686SS**  trans-43.6109.6169.4-73.2172.1163.500100N276 E280N276-E278 HydrophobicContact CB-CG 4.29Å; N276-E278 PolarHBondContact O-N 3.17Å; E278-E280 HydrophobicContact CB-CB 4.28Å; E278-E280 HydrophobicContact CB-CG 4.05Å; E278-E280 PolarHBondContact O-N 3.49Å
279L56.4Low64.2Low179 Ų179124.2 Ų124.294%0.93769%0.691SS**  trans-69.360162.3-118.997.8000104.2A277 G281A277-L279 PolarHBondContact O-N 3.41Å; L279-G281 PolarHBondContact O-N 3Å
280E58.3Low65.6Low156 Ų156118.9 Ų118.973%0.72966%0.662SS**  trans-64.796.1162.8-98-168.1162.200103.2E278 F282E278-E280 HydrophobicContact CB-CB 4.28Å; E278-E280 HydrophobicContact CB-CG 4.05Å; E278-E280 PolarHBondContact O-N 3.49Å; E280-F282 PolarHBondContact O-N 3.44Å
281G61.6Low67.1Low69 Ų69115.2 Ų115.271%0.71165%0.645SS**  trans-57.6108.7158.400000106.6L279 I283L279-G281 PolarHBondContact O-N 3Å; G281-I283 PolarHBondContact O-N 3.2Å
282F72.3Confident68.8Low167 Ų167115 Ų11573%0.73264%0.642SS**  trans-60110.9172.1176-102000108.6E280 E284E280-F282 PolarHBondContact O-N 3.44Å; F282-E284 HydrophobicContact CD1-CG 4.26Å; F282-E284 HydrophobicContact CE1-CB 4.43Å; F282-E284 HydrophobicContact CE1-CG 3.54Å; F282-E284 HydrophobicContact CZ-CG 4.3Å
283I74.8Confident70.5Confident100 Ų100117 Ų11751%0.51364%0.643SS.*  trans-92.7122.7167-102.5168.8000107G281 S287 L290G281-I283 PolarHBondContact O-N 3.2Å; I283-S287 WeakPolarHBondContact CG2-OG 3.21Å; I283-L290 HydrophobicContact CG2-CB 4.08Å; I283-L290 HydrophobicContact CG2-CD2 4.29Å
284E77.8Confident72.4Confident127 Ų127116 Ų11659%0.59362%0.623SS**  trans-59.1136.9173.4-76.8177174.400109.7F282 D286 S287F282-E284 HydrophobicContact CD1-CG 4.26Å; F282-E284 HydrophobicContact CE1-CB 4.43Å; F282-E284 HydrophobicContact CE1-CG 3.54Å; F282-E284 HydrophobicContact CZ-CG 4.3Å; E284-D286 PolarHBondContact O-N 3.47Å; E284-D286 VanDerWaalsContact O-N 3.12Å; E284-S287 WeakPolarHBondContact O-CB 3.32Å; E284-S287 PolarHBondContact O-N 3.04Å; E284-S287 PolarHBondContact O-OG 3.45Å
285P75.9Confident74.3Confident94 Ų94114.2 Ų114.261%0.6161%0.609SS**THydrogen-bonded Turntrans-62.6-20.2-177.922.8-31.6000113.4
286D78.3Confident76.3Confident145 Ų145110.6 Ų110.678%0.77559%0.589SS**THydrogen-bonded Turntrans-95.29.8176.2-61.1-18.2000112.6E284 A288E284-D286 PolarHBondContact O-N 3.47Å; E284-D286 VanDerWaalsContact O-N 3.12Å; D286-A288 PolarHBondContact O-N 3.01Å
287S85.4Confident78.3Confident26 Ų26111 Ų11118%0.18258%0.582CS.*  trans-69.3134.8-179.171.30000111.5I283 E284 R289 L290 E291I283-S287 WeakPolarHBondContact CG2-OG 3.21Å; E284-S287 WeakPolarHBondContact O-CB 3.32Å; E284-S287 PolarHBondContact O-N 3.04Å; E284-S287 PolarHBondContact O-OG 3.45Å; S287-R289 PolarHBondContact O-N 3.43Å; S287-R289 VanDerWaalsContact O-N 3.12Å; S287-L290 PolarHBondContact O-N 3.44Å; S287-L290 WeakPolarHBondContact OG-CB 3.47Å; S287-L290 PolarHBondContact OG-N 2.96Å; S287-E291 PolarHBondContact O-N 3.49Å
288A87Confident80.1Confident78 Ų78112.8 Ų112.865%0.64558%0.575SS**Hα-helixtrans-57.9-28.3176.900000113D286 E292D286-A288 PolarHBondContact O-N 3.01Å; A288-E292 PolarHBondContact O-N 2.97Å; A288-E292 VanDerWaalsContact O-N 3.1Å
289R83.4Confident81.6Confident188 Ų188111.5 Ų111.571%0.70957%0.567SS**Hα-helixtrans-67.9-40.7174.9-86.9-128.2171.3154.6-2.5112.6S287 E291 E292 V293S287-R289 PolarHBondContact O-N 3.43Å; S287-R289 VanDerWaalsContact O-N 3.12Å; R289-E291 VanDerWaalsContact C-N 3.34Å; R289-E292 PolarHBondContact O-N 3.19Å; R289-V293 WeakPolarHBondContact O-CG2 3.49Å; R289-V293 PolarHBondContact O-N 2.97Å; R289-V293 VanDerWaalsContact O-N 3.09Å
290L86.5Confident82.9Confident58 Ų58108.7 Ų108.730%0.30455%0.549SS..Hα-helixtrans-65.8-40.3176.3-176.261.6000110.8I283 S287 E292 V293 I294I283-L290 HydrophobicContact CG2-CB 4.08Å; I283-L290 HydrophobicContact CG2-CD2 4.29Å; S287-L290 PolarHBondContact O-N 3.44Å; S287-L290 WeakPolarHBondContact OG-CB 3.47Å; S287-L290 PolarHBondContact OG-N 2.96Å; L290-E292 VanDerWaalsContact C-N 3.33Å; L290-E292 PolarHBondContact O-N 3.31Å; L290-V293 PolarHBondContact O-N 2.87Å; L290-I294 HydrophobicContact CD1-CD1 4.36Å; L290-I294 HydrophobicContact CD1-CG1 4.49Å; L290-I294 HydrophobicContact CG-CD1 3.92Å; L290-I294 HydrophobicContact CG-CG1 4.49Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 VanDerWaalsContact O-CG1 3.22Å; L290-I294 WeakPolarHBondContact O-CG1 3.32Å; L290-I294 PolarHBondContact O-N 3.12Å
291E87.8Confident84Confident100 Ų100107.3 Ų107.347%0.46754%0.54SS..Hα-helixtrans-61.4-38.6174.3-71.2-167.5-172.500113.4S287 R289 I294 K295S287-E291 PolarHBondContact O-N 3.49Å; R289-E291 VanDerWaalsContact C-N 3.34Å; E291-I294 PolarHBondContact O-N 3.41Å; E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 WeakPolarHBondContact O-CD 3.42Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.15Å; E291-K295 IonicContact OE2-NZ 2.79Å; E291-K295 PolarHBondContact OE2-NZ 3.28Å
292E91.3Very high84.9Confident114 Ų114110.7 Ų110.753%0.53354%0.538SS..Hα-helixtrans-64.1-46.1176.8-173177.4-169.200111.1A288 R289 L290 I294 K295 D296A288-E292 PolarHBondContact O-N 2.97Å; A288-E292 VanDerWaalsContact O-N 3.1Å; R289-E292 PolarHBondContact O-N 3.19Å; L290-E292 VanDerWaalsContact C-N 3.33Å; L290-E292 PolarHBondContact O-N 3.31Å; E292-I294 VanDerWaalsContact C-N 3.35Å; E292-I294 PolarHBondContact O-N 3.16Å; E292-K295 PolarHBondContact O-N 3.36Å; E292-D296 PolarHBondContact O-N 2.64Å
293V90.1Very high85Confident96 Ų96110.9 Ų110.958%0.58254%0.538SS*.Hα-helixtrans-61.8-42.4176.2173.90000111.3R289 L290 D296 Y297R289-V293 WeakPolarHBondContact O-CG2 3.49Å; R289-V293 PolarHBondContact O-N 2.97Å; R289-V293 VanDerWaalsContact O-N 3.09Å; L290-V293 PolarHBondContact O-N 2.87Å; V293-D296 PolarHBondContact O-N 3.49Å; V293-Y297 WeakPolarHBondContact O-CB 2.9Å; V293-Y297 PolarHBondContact O-N 2.92Å
294I90.6Very high84.9Confident78 Ų78111.7 Ų111.740%0.454%0.544SS..Hα-helixtrans-62.5-44.4176.1-69.9167.3000110.7L290 E291 E292 Y297 F298L290-I294 HydrophobicContact CD1-CD1 4.36Å; L290-I294 HydrophobicContact CD1-CG1 4.49Å; L290-I294 HydrophobicContact CG-CD1 3.92Å; L290-I294 HydrophobicContact CG-CG1 4.49Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 VanDerWaalsContact O-CG1 3.22Å; L290-I294 WeakPolarHBondContact O-CG1 3.32Å; L290-I294 PolarHBondContact O-N 3.12Å; E291-I294 PolarHBondContact O-N 3.41Å; E292-I294 VanDerWaalsContact C-N 3.35Å; E292-I294 PolarHBondContact O-N 3.16Å; I294-Y297 WeakPolarHBondContact O-CB 3.44Å; I294-Y297 PolarHBondContact O-N 3.34Å; I294-F298 HydrophobicContact CG2-CD2 3.86Å; I294-F298 HydrophobicContact CG2-CE2 3.6Å; I294-F298 WeakPolarHBondContact O-CD2 3.38Å; I294-F298 PolarHBondContact O-N 3.45Å; I294-F298 VanDerWaalsContact O-N 3.15Å
295K91.6Very high84.4Confident113 Ų113109 Ų10949%0.49154%0.539SS..Hα-helixtrans-62.7-42.4177.9-74.9163.2-172.3151.80111.7E291 E292 F298 K299E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 WeakPolarHBondContact O-CD 3.42Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.15Å; E291-K295 IonicContact OE2-NZ 2.79Å; E291-K295 PolarHBondContact OE2-NZ 3.28Å; E292-K295 PolarHBondContact O-N 3.36Å; K295-F298 PolarHBondContact O-N 3.4Å; K295-K299 WeakPolarHBondContact O-CG 3.36Å; K295-K299 PolarHBondContact O-N 3.45Å; K295-K299 VanDerWaalsContact O-N 3.13Å
296D91.3Very high83.7Confident77 Ų77110.6 Ų110.641%0.41254%0.541SS..Hα-helixtrans-68.7-37177.7-84.40.8000112.5E292 V293 F298 K299 Q300E292-D296 PolarHBondContact O-N 2.64Å; V293-D296 PolarHBondContact O-N 3.49Å; D296-F298 VanDerWaalsContact C-N 3.35Å; D296-F298 PolarHBondContact O-N 3.43Å; D296-K299 PolarHBondContact O-N 2.87Å; D296-K299 IonicContact OD1-NZ 2.69Å; D296-K299 PolarHBondContact OD1-NZ 3.09Å; D296-Q300 PolarHBondContact O-N 2.95Å
297Y92.8Very high82.9Confident148 Ų148111 Ų11158%0.5853%0.532SS*.Hα-helixtrans-57-45.8172.2174.9-100.4000112.1V293 I294 Q300 K301V293-Y297 WeakPolarHBondContact O-CB 2.9Å; V293-Y297 PolarHBondContact O-N 2.92Å; I294-Y297 WeakPolarHBondContact O-CB 3.44Å; I294-Y297 PolarHBondContact O-N 3.34Å; Y297-Q300 WeakPolarHBondContact O-CB 3.13Å; Y297-Q300 PolarHBondContact O-N 3.41Å; Y297-K301 PolarHBondContact O-N 3.28Å
298F91.1Very high81.5Confident117 Ų117115.4 Ų115.451%0.51356%0.56SS.*Hα-helixtrans-67.4-39.3177.9-76.3-67000113.1I294 K295 D296 Q300 K301 E302I294-F298 HydrophobicContact CG2-CD2 3.86Å; I294-F298 HydrophobicContact CG2-CE2 3.6Å; I294-F298 WeakPolarHBondContact O-CD2 3.38Å; I294-F298 PolarHBondContact O-N 3.45Å; I294-F298 VanDerWaalsContact O-N 3.15Å; K295-F298 PolarHBondContact O-N 3.4Å; D296-F298 VanDerWaalsContact C-N 3.35Å; D296-F298 PolarHBondContact O-N 3.43Å; F298-Q300 VanDerWaalsContact C-N 3.29Å; F298-Q300 PolarHBondContact O-N 3.04Å; F298-K301 PolarHBondContact O-N 3.33Å; F298-E302 WeakPolarHBondContact O-CG 3.48Å; F298-E302 PolarHBondContact O-N 3.36Å
299K89.1Confident80.1Confident112 Ų112119.8 Ų119.849%0.48757%0.567SS.*Hα-helixtrans-60.9-39.1173.7-70174.9-160.8155.50112.2K295 D296 K303K295-K299 WeakPolarHBondContact O-CG 3.36Å; K295-K299 PolarHBondContact O-N 3.45Å; K295-K299 VanDerWaalsContact O-N 3.13Å; D296-K299 PolarHBondContact O-N 2.87Å; D296-K299 IonicContact OD1-NZ 2.69Å; D296-K299 PolarHBondContact OD1-NZ 3.09Å; K299-K303 WeakPolarHBondContact O-CG 3.4Å; K299-K303 PolarHBondContact O-N 2.92Å
300Q84.1Confident79.1Confident120 Ų120115.3 Ų115.356%0.56156%0.557SS**Hα-helixtrans-63.9-48175.9-163.2111.8-5.700110D296 Y297 F298 E302 K303 D304D296-Q300 PolarHBondContact O-N 2.95Å; Y297-Q300 WeakPolarHBondContact O-CB 3.13Å; Y297-Q300 PolarHBondContact O-N 3.41Å; F298-Q300 VanDerWaalsContact C-N 3.29Å; F298-Q300 PolarHBondContact O-N 3.04Å; Q300-E302 VanDerWaalsContact C-N 3.27Å; Q300-E302 PolarHBondContact O-N 3.22Å; Q300-K303 WeakPolarHBondContact O-CB 3.4Å; Q300-K303 PolarHBondContact O-N 3.39Å; Q300-D304 VanDerWaalsContact O-CG 3.25Å; Q300-D304 PolarHBondContact O-N 2.96Å
301K82.1Confident77.5Confident126 Ų126119 Ų11955%0.54858%0.577SS.*Hα-helixtrans-62.7-32.8179.9-142.3-146.2-175-165.80113.4Y297 F298 D304 S305Y297-K301 PolarHBondContact O-N 3.28Å; F298-K301 PolarHBondContact O-N 3.33Å; K301-D304 PolarHBondContact O-N 2.93Å; K301-S305 WeakPolarHBondContact O-CB 3.22Å; K301-S305 PolarHBondContact O-N 2.79Å; K301-S305 PolarHBondContact O-OG 3.09Å
302E79.8Confident75.7Confident140 Ų140117.1 Ų117.165%0.65458%0.584SS**Hα-helixtrans-69-34.8173.8-77.1179.6173.700112.7F298 Q300 S305F298-E302 WeakPolarHBondContact O-CG 3.48Å; F298-E302 PolarHBondContact O-N 3.36Å; Q300-E302 VanDerWaalsContact C-N 3.27Å; Q300-E302 PolarHBondContact O-N 3.22Å; E302-S305 WeakPolarHBondContact CA-OG 3.48Å; E302-S305 PolarHBondContact O-OG 3.42Å
303K75Confident73.8Confident172 Ų172118 Ų11875%0.74860%0.599SS**Hα-helixtrans-70.2-36.3172.8-69.7173.3-179.7178.60111.8K299 Q300K299-K303 WeakPolarHBondContact O-CG 3.4Å; K299-K303 PolarHBondContact O-N 2.92Å; Q300-K303 WeakPolarHBondContact O-CB 3.4Å; Q300-K303 PolarHBondContact O-N 3.39Å
304D71.6Confident71.8Confident116 Ų116123 Ų12362%0.6261%0.614SS**Hα-helixtrans-79.6-21.9-179.6-61-19000112.1Q300 K301 L306Q300-D304 VanDerWaalsContact O-CG 3.25Å; Q300-D304 PolarHBondContact O-N 2.96Å; K301-D304 PolarHBondContact O-N 2.93Å; D304-L306 PolarHBondContact O-N 3.13Å; D304-L306 VanDerWaalsContact O-N 3.11Å
305S67.8Low69.3Low70 Ų70128 Ų12849%0.4964%0.635SS.*  trans-76.996.617462.40000111.1K301 E302 R307K301-S305 WeakPolarHBondContact O-CB 3.22Å; K301-S305 PolarHBondContact O-N 2.79Å; K301-S305 PolarHBondContact O-OG 3.09Å; E302-S305 WeakPolarHBondContact CA-OG 3.48Å; E302-S305 PolarHBondContact O-OG 3.42Å; S305-R307 PolarHBondContact O-N 3.28Å
306L60.5Low66.8Low128 Ų128130.1 Ų130.167%0.6765%0.651SS**  trans-64.1122.6165.1-72.6159.9000109.2D304D304-L306 PolarHBondContact O-N 3.13Å; D304-L306 VanDerWaalsContact O-N 3.11Å
307R62.3Low64.2Low154 Ų154132.2 Ų132.258%0.58167%0.669SS**  trans-70.8139.9170.8-64.4173.1-59.4164.710.2108S305 E309 D310S305-R307 PolarHBondContact O-N 3.28Å; R307-E309 PolarHBondContact O-N 3.42Å; R307-D310 IonicContact CZ-OD2 2.88Å; R307-D310 IonicContact NE-OD2 3.31Å; R307-D310 PolarHBondContact NE-OD2 3.1Å; R307-D310 IonicContact NH2-OD1 3.71Å; R307-D310 IonicContact NH2-OD2 3.98Å; R307-D310 PolarHBondContact NH2-OD2 3.42Å; R307-D310 PolarHBondContact O-N 3.33Å
308P56.5Low61.7Low118 Ų118130.9 Ų130.977%0.76668%0.676SS**G310 helixtrans-55.2-17.4177.1-27.435.3000114.9D310P308-D310 VanDerWaalsContact C-N 3.32Å
309E57.8Low58.9Low170 Ų170133.3 Ų133.379%0.79469%0.693SS**G310 helixtrans-77.3-13.9178.4-56.1-167.1-167.600114R307 L311R307-E309 PolarHBondContact O-N 3.42Å; E309-L311 VanDerWaalsContact C-N 3.33Å
310D60.7Low56.1Low94 Ų94134.9 Ų134.950%0.50371%0.707SS.*G310 helixtrans-91.23.2176.7-62.8-49.2000112.2R307 P308R307-D310 IonicContact CZ-OD2 2.88Å; R307-D310 IonicContact NE-OD2 3.31Å; R307-D310 PolarHBondContact NE-OD2 3.1Å; R307-D310 IonicContact NH2-OD1 3.71Å; R307-D310 IonicContact NH2-OD2 3.98Å; R307-D310 PolarHBondContact NH2-OD2 3.42Å; R307-D310 PolarHBondContact O-N 3.33Å; P308-D310 VanDerWaalsContact C-N 3.32Å
311L53.6Low53.8Low136 Ų136137.8 Ų137.871%0.71272%0.721SS**SBendtrans-12168.4176.9-67.8173.3000110.8E309E309-L311 VanDerWaalsContact C-N 3.33Å
312G50.2Low51.3Low60 Ų60140.5 Ų140.562%0.61974%0.735SS**  trans-155.2126.5172.700000112.4
313P50.8Low49Very low132 Ų132142.1 Ų142.186%0.85774%0.743SS**  trans-70.6144.4177.727.3-31.1000111.9E315P313-E315 PolarHBondContact O-N 3.02Å
314K48.2Very low46.8Very low202 Ų202142.4 Ų142.488%0.87875%0.747SS**  trans-54.5114.1174.1-160.8171.1-172.91720110.7
315E39.2Very low44.8Very low183 Ų183143.7 Ų143.786%0.85575%0.754SS**  trans4.1111.1162.4-61.9177.2167.800116.6P313P313-E315 PolarHBondContact O-N 3.02Å
316L37.9Very low43.4Very low158 Ų158148.5 Ų148.583%0.82777%0.769SS**PPolyproline II helixtrans-79.6137.5154.1-74.8168.8000108.5V318L316-V318 PolarHBondContact O-N 3.33Å
317P38.1Very low42Very low120 Ų120150.3 Ų150.378%0.77978%0.779SS**PPolyproline II helixtrans-67.3120.1179.6-1327.1000110.6L319P317-L319 PolarHBondContact O-N 3.12Å
318V39Very low41.1Very low120 Ų120151.7 Ų151.773%0.72779%0.792SS**PPolyproline II helixtrans-74.3116.2164.1176.90000107.3L316L316-V318 PolarHBondContact O-N 3.33Å
319L31.8Very low40.1Very low168 Ų168155.2 Ų155.288%0.8880%0.798SS**  trans-99.5108.8159-80.5171.4000107.3P317P317-L319 PolarHBondContact O-N 3.12Å
320N30.6Very low39.3Very low146 Ų146156.7 Ų156.778%0.78181%0.805SS**  trans-68.5147.4167.2-88.8-6.1000110.5
321E36Very low38.3Very low180 Ų180161 Ų16184%0.84182%0.824SS**  trans-59.2146.4171.1-58.2165.9166.700111.8
322E30Very low37.7Very low183 Ų183163.4 Ų163.486%0.85583%0.832SS**  trans178.1116.3131.4-93.5166.6-154.500111.1
323E32.5Very low37.2Very low174 Ų174167 Ų16781%0.81384%0.842SS**  trans51.7118.2140.9-52.2-174.317100121.9
324E28.5Very low37.1Very low179 Ų179166.7 Ų166.784%0.83684%0.838SS**  165.2111.1114.6-86.7177-176.900112
325D29.8Very low36.9Very low143 Ų143162.8 Ų162.877%0.76583%0.83SS**  trans58.3131.6141.1-55.4-29.3000125.8
326E37.3Very low37.1Very low171 Ų171159.6 Ų159.680%0.79983%0.827SS**  trans51.9111.5145.5-70.3177.8165.900119.8
327D32.4Very low38Very low166 Ų166160.7 Ų160.789%0.88883%0.828SS**  -166.1136.1113.5-86.5-32000111.6
328E41.9Very low38.8Very low183 Ų183159.2 Ų159.286%0.85583%0.825SS**  trans-60.2142.9179.6-64169.3146.200112.2
329E36.7Very low39.8Very low191 Ų191159.6 Ų159.689%0.89383%0.83SS**  178.3116.9123.4-94.1168.6-164.800111.7
330E40.2Very low40.9Very low201 Ų201160.2 Ų160.294%0.93983%0.829SS**  trans-68.1122.7175.6-172.1173.2-158.500110.2
331M38.7Very low42.5Very low184 Ų184161.1 Ų161.191%0.90683%0.829SS**  trans-122.1127.9171-87.6-160.8-78.600113
332E42Very low43.5Very low187 Ų187162.4 Ų162.487%0.87483%0.831SS**  trans-58.4150.4-170-90.3169.8143.200116.1
333T39.3Very low45Very low135 Ų135164.5 Ų164.583%0.82883%0.831SS**  trans-74.7122.1174.942.20000111.4V335T333-V335 PolarHBondContact O-N 3.23Å
334V49.1Very low45.8Very low127 Ų127163.8 Ų163.877%0.7783%0.833SS**  trans-82.8107.4176.7-177.40000109.9
335V44.8Very low46.7Very low120 Ų120160.6 Ų160.673%0.72783%0.829SS**  trans-96.1104.7167.1178.90000108.4T333 E337T333-V335 PolarHBondContact O-N 3.23Å; V335-E337 PolarHBondContact O-N 3.5Å
336C43.2Very low48Very low116 Ų116162.7 Ų162.778%0.78484%0.835SS**  trans-80.7105.2171.5-67.30000109.7
337E55.2Low48.8Very low181 Ų181160.3 Ų160.385%0.84683%0.832SS**PPolyproline II helixtrans-73136.3166-70.8-173.4157.700110.7V335V335-E337 PolarHBondContact O-N 3.5Å
338A54.8Low50.2Low88 Ų88160.4 Ų160.473%0.72783%0.831SS**PPolyproline II helixtrans-69.5139.3-179.500000111.7Q340A338-Q340 PolarHBondContact O-N 3.06Å
339P61.8Low51.1Low128 Ų128158.6 Ų158.683%0.83183%0.825SS**PPolyproline II helixtrans-70.2128.9-18027.9-33000111.1
340Q55.1Low52Low182 Ų182152.6 Ų152.685%0.8580%0.804SS**PPolyproline II helixtrans-79.7135.5170.2-67.3-136.6-23.100111.4A338 K342A338-Q340 PolarHBondContact O-N 3.06Å; Q340-K342 PolarHBondContact O-N 2.85Å
341E63.9Low52.9Low165 Ų165149 Ų14977%0.77180%0.797SS**  trans-68.1112.4174.9-71.8179.216200110.9
342K55.7Low54.1Low206 Ų206149.7 Ų149.790%0.89679%0.79SS**  trans-86.1114167.9-65.3179.5-178.2177.90107.9Q340Q340-K342 PolarHBondContact O-N 2.85Å
343W61.4Low55.2Low227 Ų227145.6 Ų145.686%0.8678%0.782SS**  trans-76.1131.6174.3-7075.5000110
344D49.7Very low56.4Low159 Ų159145.8 Ų145.885%0.8578%0.778SS**  trans-149.4146.2163-131.3-12.2000111.3
345C47Very low57.3Low112 Ų112144.7 Ų144.776%0.75777%0.768SS**  trans92.696.8178.2-54.10000117.9T347C345-T347 PolarHBondContact O-N 3.17Å
346E57Low58.4Low188 Ų188149.3 Ų149.388%0.87977%0.774SS**  trans-46.5123.1158.8-58.3171.9157.400111.9I348E346-I348 PolarHBondContact O-N 2.74Å
347T54.8Low59.8Low121 Ų121151.2 Ų151.274%0.74278%0.776SS**  trans-88.2107.1177-37.20000110.2C345 I349C345-T347 PolarHBondContact O-N 3.17Å; T347-I349 PolarHBondContact O-N 3.04Å
348I62.5Low60.8Low167 Ų167151 Ų15186%0.85677%0.768SS**THydrogen-bonded Turntrans-77.721.7-173.9-35.8162.6000113.1E346E346-I348 PolarHBondContact O-N 2.74Å
349I59.3Low62Low146 Ų146152.6 Ų152.675%0.74977%0.77SS**THydrogen-bonded Turntrans-128.920.8-180-33178.9000112.5T347 T351T347-I349 PolarHBondContact O-N 3.04Å; I349-T351 VanDerWaalsContact C-N 3.3Å; I349-T351 PolarHBondContact O-N 3.44Å
350S57.1Low62.7Low64 Ų64155.2 Ų155.245%0.44877%0.769SS.*  trans-8676.8163.5-170.70000109.7Y352S350-Y352 VanDerWaalsContact C-N 3.29Å; S350-Y352 WeakPolarHBondContact O-CD2 3.34Å; S350-Y352 PolarHBondContact O-N 3Å; S350-Y352 WeakPolarHBondContact OG-CE1 3.42Å; S350-Y352 WeakPolarHBondContact OG-CE2 3.43Å
351T59.5Low63.8Low127 Ų127152.3 Ų152.378%0.77976%0.763SS**  trans-73.292.7162.151.20000107.4I349 S353I349-T351 VanDerWaalsContact C-N 3.3Å; I349-T351 PolarHBondContact O-N 3.44Å; T351-S353 VanDerWaalsContact C-N 3.34Å; T351-S353 PolarHBondContact O-N 3.43Å
352Y64Low64.5Low197 Ų197152 Ų15277%0.77377%0.765SS**  trans-61.195.3172.3-67.2-80.8000109.5S350 N354S350-Y352 VanDerWaalsContact C-N 3.29Å; S350-Y352 WeakPolarHBondContact O-CD2 3.34Å; S350-Y352 PolarHBondContact O-N 3Å; S350-Y352 WeakPolarHBondContact OG-CE1 3.42Å; S350-Y352 WeakPolarHBondContact OG-CE2 3.43Å; Y352-N354 PolarHBondContact O-N 3.31Å
353S63.4Low65.3Low101 Ų101150.1 Ų150.171%0.70676%0.759SS**  trans-73.398.7165.5151.50000107.5T351 L355T351-S353 VanDerWaalsContact C-N 3.34Å; T351-S353 PolarHBondContact O-N 3.43Å; S353-L355 PolarHBondContact O-N 3.28Å
354N65.6Low65.8Low139 Ų139145.5 Ų145.574%0.74375%0.747SS**  trans-62.6113.1170.9-71.4-19.9000108.5Y352 Y356Y352-N354 PolarHBondContact O-N 3.31Å; N354-Y356 PolarHBondContact O-N 2.92Å
355L67.6Low66.8Low104 Ų104143.6 Ų143.655%0.54574%0.744SS.*THydrogen-bonded Turntrans-69.131.9176.4-149.968.5000113.2S353 N357 R358S353-L355 PolarHBondContact O-N 3.28Å; L355-N357 VanDerWaalsContact C-N 3.29Å; L355-N357 PolarHBondContact O-N 3.3Å; L355-R358 HydrophobicContact CD1-CG 4.22Å; L355-R358 HydrophobicContact CG-CG 4.05Å; L355-R358 VanDerWaalsContact CG-NE 3.34Å
356Y67.9Low67.5Low218 Ų218142.9 Ų142.986%0.85575%0.745SS**THydrogen-bonded Turntrans-78.3-19-166.4-170.1-103.1000112.2N354N354-Y356 PolarHBondContact O-N 2.92Å
357N72.9Confident67.9Low156 Ų156141.1 Ų141.183%0.83474%0.735SS**  trans-126.875.8-179.1-165.324.9000111.4L355L355-N357 VanDerWaalsContact C-N 3.29Å; L355-N357 PolarHBondContact O-N 3.3Å
358R76.2Confident68.3Low177 Ų177141.3 Ų141.367%0.66874%0.738SS**  trans-108.5141.8163.2-72.9-172172.1-171.84109.3L355 K360L355-R358 HydrophobicContact CD1-CG 4.22Å; L355-R358 HydrophobicContact CG-CG 4.05Å; L355-R358 VanDerWaalsContact CG-NE 3.34Å; R358-K360 PolarHBondContact O-N 2.92Å
359P79.7Confident68.3Low120 Ų120142.5 Ų142.578%0.77974%0.737SS**PPolyproline II helixtrans-58.8137.6172.225.7-32.9000109.6V361P359-V361 PolarHBondContact O-N 3.3Å
360K76.2Confident68.5Low184 Ų184140.1 Ų140.180%0.874%0.739SS**PPolyproline II helixtrans-66116.2175.4-174.4176.4179.6-179.70108.5R358 I362R358-K360 PolarHBondContact O-N 2.92Å; K360-I362 PolarHBondContact O-N 3Å
361V77.9Confident68.8Low121 Ų121141.6 Ų141.673%0.73374%0.741SS**PPolyproline II helixtrans-60.6126.9171.8-179.40000107.4P359 E363P359-V361 PolarHBondContact O-N 3.3Å; V361-E363 PolarHBondContact O-N 3.02Å; V361-E363 VanDerWaalsContact O-N 3.09Å
362I78.6Confident69Low157 Ų157145.5 Ų145.581%0.80574%0.742SS**  trans-66.6111174.6-60.8171.6000106.3K360 E364K360-I362 PolarHBondContact O-N 3Å; I362-E364 PolarHBondContact O-N 3.12Å; I362-E364 VanDerWaalsContact O-N 3.12Å
363E73.6Confident69Low168 Ų168140.1 Ų140.179%0.78573%0.729SS**  trans-67.5108.8174.6-69.1176.4-169.300107.9V361V361-E363 PolarHBondContact O-N 3.02Å; V361-E363 VanDerWaalsContact O-N 3.09Å
364E71.2Confident69.2Low129 Ų129136.4 Ų136.460%0.60370%0.703SS**  trans-55.4135.1160.6-68.4-177.1-179.700107.2I362 A366 K367I362-E364 PolarHBondContact O-N 3.12Å; I362-E364 VanDerWaalsContact O-N 3.12Å; E364-A366 PolarHBondContact O-N 2.96Å; E364-A366 VanDerWaalsContact O-N 3.07Å; E364-K367 WeakPolarHBondContact OE2-CE 3.44Å; E364-K367 IonicContact OE2-NZ 3.5Å; E364-K367 PolarHBondContact OE2-NZ 3.37Å
365P70.5Confident69.2Low120 Ų120133.7 Ų133.778%0.77971%0.708SS**SBendtrans-49.3125.7-179.922.6-33.8000108.4K367P365-K367 PolarHBondContact O-N 3.03Å
366A62.2Low69Low96 Ų96138.3 Ų138.379%0.79372%0.724SS**  trans-44108.1-165.800000110.7E364E364-A366 PolarHBondContact O-N 2.96Å; E364-A366 VanDerWaalsContact O-N 3.07Å
367K65.1Low68.8Low151 Ų151132.2 Ų132.266%0.65771%0.71SS**PPolyproline II helixtrans-55.3133.9162-67.3174.8-172.6159.60105.4E364 P365 K369E364-K367 WeakPolarHBondContact OE2-CE 3.44Å; E364-K367 IonicContact OE2-NZ 3.5Å; E364-K367 PolarHBondContact OE2-NZ 3.37Å; P365-K367 PolarHBondContact O-N 3.03Å; K367-K369 PolarHBondContact O-N 3.02Å
368P62.9Low68.4Low126 Ų126127.3 Ų127.382%0.81870%0.696SS**PPolyproline II helixtrans-50.2131.8-171.420.3-32.7000109.8A370P368-A370 PolarHBondContact O-N 3.48Å
369K62.8Low67.9Low192 Ų192123 Ų12384%0.83569%0.685SS**PPolyproline II helixtrans-47.1130.7-172.1-65.1179.7-174.8178.10110.3K367 I371K367-K369 PolarHBondContact O-N 3.02Å; K369-I371 PolarHBondContact O-N 3.42Å; K369-I371 VanDerWaalsContact O-N 3.14Å
370A64.6Low67.1Low95 Ų95119 Ų11979%0.78566%0.659SS**PPolyproline II helixtrans-55.6122.3174.600000109.3P368 R372P368-A370 PolarHBondContact O-N 3.48Å; A370-R372 PolarHBondContact O-N 2.98Å; A370-R372 VanDerWaalsContact O-N 3.09Å
371I62.9Low66.5Low95 Ų95115.4 Ų115.449%0.48765%0.648SS.*  trans-62.1105.8-172.8-63.9-174.4000108.7K369 V373 P380 V383K369-I371 PolarHBondContact O-N 3.42Å; K369-I371 VanDerWaalsContact O-N 3.14Å; I371-V373 PolarHBondContact O-N 2.78Å; I371-P380 HydrophobicContact CG2-CB 3.16Å; I371-P380 HydrophobicContact CG2-CG 3.05Å; I371-V383 HydrophobicContact CG1-CG2 4.3Å; I371-V383 HydrophobicContact CG2-CG2 4.48Å
372R64.3Low65.7Low209 Ų209117.8 Ų117.879%0.78966%0.657SS**PPolyproline II helixtrans-78.2118.2177.4-76.5-177.694-178.98.1109.6A370 P380 L381A370-R372 PolarHBondContact O-N 2.98Å; A370-R372 VanDerWaalsContact O-N 3.09Å; R372-P380 CarbonylContact O-C 3.38Å; R372-P380 WeakPolarHBondContact O-CA 3.39Å; R372-L381 PolarHBondContact O-N 2.93Å
373V63.4Low64.8Low84 Ų84114.2 Ų114.251%0.50964%0.642SS.*BIsolated β-bridgetrans-91.5135.7-176-1720000110.4I371 G375 G378I371-V373 PolarHBondContact O-N 2.78Å; V373-G375 PolarHBondContact O-N 2.82Å; V373-G378 WeakPolarHBondContact CG1-O 3.19Å
374S67.3Low64.1Low24 Ų24111 Ų11117%0.16863%0.63CS.*PPolyproline II helixtrans-65.1124.5173.4134.10000110K376 T377 G378 I379S374-K376 PolarHBondContact O-N 2.56Å; S374-K376 PolarHBondContact OG-N 3.22Å; S374-T377 WeakPolarHBondContact CB-OG1 3.49Å; S374-T377 PolarHBondContact O-N 3.25Å; S374-T377 PolarHBondContact OG-N 3.5Å; S374-T377 VanDerWaalsContact OG-N 3.13Å; S374-T377 PolarHBondContact OG-OG1 2.64Å; S374-G378 WeakPolarHBondContact O-CA 3.47Å; S374-G378 PolarHBondContact O-N 2.76Å; S374-I379 WeakPolarHBondContact CB-O 3.49Å; S374-I379 PolarHBondContact N-O 2.93Å
375G65.7Low63.5Low82 Ų82109.9 Ų109.985%0.84563%0.634SS**THydrogen-bonded Turntrans-65.9-9.4-177.900000115.2V373V373-G375 PolarHBondContact O-N 2.82Å
376K64.1Low63.1Low200 Ų200110 Ų11087%0.8764%0.637SS**THydrogen-bonded Turntrans-103-25.7179.8-152.8174.9-172.5178.20113.2S374S374-K376 PolarHBondContact O-N 2.56Å; S374-K376 PolarHBondContact OG-N 3.22Å
377T63.5Low62.8Low91 Ų91117.8 Ų117.856%0.55865%0.646SS**THydrogen-bonded Turntrans-125.4-8.7-174.6580000114.3S374 I379S374-T377 WeakPolarHBondContact CB-OG1 3.49Å; S374-T377 PolarHBondContact O-N 3.25Å; S374-T377 PolarHBondContact OG-N 3.5Å; S374-T377 VanDerWaalsContact OG-N 3.13Å; S374-T377 PolarHBondContact OG-OG1 2.64Å; T377-I379 PolarHBondContact O-N 3.11Å
378G62.8Low62.8Low53 Ų53113.2 Ų113.255%0.54664%0.642SS.*  trans68.914.7-177.700000113.3V373 S374V373-G378 WeakPolarHBondContact CG1-O 3.19Å; S374-G378 WeakPolarHBondContact O-CA 3.47Å; S374-G378 PolarHBondContact O-N 2.76Å
379I66.1Low62.9Low85 Ų85112.4 Ų112.444%0.43663%0.63SS.*PPolyproline II helixtrans-102.7135.5-176.3-56.4170.5000111.4S374 T377 L381 L384S374-I379 WeakPolarHBondContact CB-O 3.49Å; S374-I379 PolarHBondContact N-O 2.93Å; T377-I379 PolarHBondContact O-N 3.11Å; I379-L381 PolarHBondContact O-N 3Å; I379-L384 HydrophobicContact CG2-CD1 3.89Å
380P64.5Low63.4Low37 Ų37106.2 Ų106.224%0.2461%0.608CS.*BIsolated β-bridgetrans-54.9119.9169.9-33.343000115.3I371 R372 V383I371-P380 HydrophobicContact CG2-CB 3.16Å; I371-P380 HydrophobicContact CG2-CG 3.05Å; R372-P380 CarbonylContact O-C 3.38Å; R372-P380 WeakPolarHBondContact O-CA 3.39Å; P380-V383 HydrophobicContact CB-CB 4.23Å; P380-V383 HydrophobicContact CB-CG2 4.45Å
381L62.3Low63.6Low108 Ų108105.8 Ų105.857%0.56561%0.605SS**THydrogen-bonded Turntrans-78138168.8-65.6170000109.8R372 I379 V383R372-L381 PolarHBondContact O-N 2.93Å; I379-L381 PolarHBondContact O-N 3Å; L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.69Å
382D60.6Low63.8Low172 Ų172109.4 Ų109.492%0.9262%0.617SS**THydrogen-bonded Turntrans66.611.1175.5-64.2-19.5000118.6
383V60.8Low64Low81 Ų81104.2 Ų104.249%0.49160%0.602SS.*SBendtrans-108.5-17.4178.1-172.90000112.8I371 P380 L381I371-V383 HydrophobicContact CG1-CG2 4.3Å; I371-V383 HydrophobicContact CG2-CG2 4.48Å; P380-V383 HydrophobicContact CB-CB 4.23Å; P380-V383 HydrophobicContact CB-CG2 4.45Å; L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.69Å
384L58.1Low64.3Low102 Ų102102.3 Ų102.353%0.53460%0.595SS.*SBendtrans-102.4138.1-179.4-62.3175000111.1I379I379-L384 HydrophobicContact CG2-CD1 3.89Å
385P59.5Low64.5Low105 Ų105105.9 Ų105.968%0.68261%0.609SS**  trans-58.2145.3173.324.5-32.6000110.4R387P385-R387 PolarHBondContact O-N 2.98Å
386S60.9Low64.5Low121 Ų121111 Ų11185%0.84660%0.603SS**THydrogen-bonded Turntrans-53.6113.4-177.353.40000111.3G388S386-G388 PolarHBondContact O-N 3.23Å; S386-G388 VanDerWaalsContact O-N 3.1Å
387R57.2Low64.4Low260 Ų260107.3 Ų107.398%0.98159%0.59SS**THydrogen-bonded Turntrans21.471.2167.8-158.9173.8-177.2154-0115.2P385P385-R387 PolarHBondContact O-N 2.98Å
388G65.5Low64.5Low55 Ų55108 Ų10857%0.56760%0.595SS**SBendtrans-133.4155.5161.900000109.5S386 T390S386-G388 PolarHBondContact O-N 3.23Å; S386-G388 VanDerWaalsContact O-N 3.1Å; G388-T390 PolarHBondContact O-N 2.91Å
389L64.3Low64.5Low109 Ų109113.4 Ų113.457%0.57160%0.598SS**  trans-54.8130.6173.1-73.8108.3000109Q393 M397L389-Q393 HydrophobicContact CB-CB 4.13Å; L389-Q393 HydrophobicContact CD2-CB 4.04Å; L389-M397 HydrophobicContact CD2-SD 3.52Å; L389-M397 VanDerWaalsContact CD2-SD 3.52Å
390T73.8Confident64.2Low63 Ų63113.9 Ų113.939%0.38760%0.601SS.*  trans-57.2147.717849.70000110.3G388 K392 Q393 A394G388-T390 PolarHBondContact O-N 2.91Å; T390-K392 PolarHBondContact O-N 3.23Å; T390-Q393 VanDerWaalsContact N-OE1 3.16Å; T390-Q393 CarbonylContact O-C 3.59Å; T390-Q393 WeakPolarHBondContact O-CA 3.39Å; T390-Q393 WeakPolarHBondContact O-CB 3.48Å; T390-Q393 PolarHBondContact O-N 3.45Å; T390-Q393 WeakPolarHBondContact OG1-CB 3.47Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.44Å; T390-Q393 PolarHBondContact OG1-N 3.26Å; T390-Q393 PolarHBondContact OG1-OE1 2.96Å; T390-A394 PolarHBondContact O-N 2.92Å
391A67.3Low64.3Low86 Ų86116.6 Ų116.671%0.71161%0.613SS**Hα-helixtrans-52.2-32.8-178.200000113.1A394 E395A391-A394 PolarHBondContact O-N 3.37Å; A391-E395 PolarHBondContact O-N 3Å
392K67.4Low64.2Low171 Ų171117.6 Ų117.674%0.74362%0.619SS**Hα-helixtrans-71.5-35.4172.1-70.6-174.4175-178.30113.8T390 R396T390-K392 PolarHBondContact O-N 3.23Å; K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.15Å
393Q68Low64.3Low99 Ų99117.2 Ų117.246%0.46362%0.616SS.*Hα-helixtrans-68.4-38170.8-86.2172.4-47.300112L389 T390 R396 M397L389-Q393 HydrophobicContact CB-CB 4.13Å; L389-Q393 HydrophobicContact CD2-CB 4.04Å; T390-Q393 VanDerWaalsContact N-OE1 3.16Å; T390-Q393 CarbonylContact O-C 3.59Å; T390-Q393 WeakPolarHBondContact O-CA 3.39Å; T390-Q393 WeakPolarHBondContact O-CB 3.48Å; T390-Q393 PolarHBondContact O-N 3.45Å; T390-Q393 WeakPolarHBondContact OG1-CB 3.47Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.44Å; T390-Q393 PolarHBondContact OG1-N 3.26Å; T390-Q393 PolarHBondContact OG1-OE1 2.96Å; Q393-R396 PolarHBondContact O-N 3.48Å; Q393-M397 PolarHBondContact O-N 2.91Å
394A70.8Confident64.2Low45 Ų45119.1 Ų119.137%0.37262%0.624SS.*Hα-helixtrans-63.5-45.5173.800000110.9T390 A391 R396 M397 T398T390-A394 PolarHBondContact O-N 2.92Å; A391-A394 PolarHBondContact O-N 3.37Å; A394-R396 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 3.46Å; A394-M397 PolarHBondContact O-N 2.95Å; A394-T398 WeakPolarHBondContact O-CG2 3.43Å; A394-T398 PolarHBondContact O-N 2.92Å; A394-T398 PolarHBondContact O-OG1 3.48Å
395E70.5Confident64.5Low98 Ų98118.4 Ų118.446%0.45862%0.62SS.*Hα-helixtrans-59.1-42.3171.9-95.5-163.3120.500112.6A391 M397 T398 R399A391-E395 PolarHBondContact O-N 3Å; E395-M397 VanDerWaalsContact C-N 3.34Å; E395-M397 PolarHBondContact O-N 3.12Å; E395-T398 VanDerWaalsContact CA-OG1 3.27Å; E395-T398 WeakPolarHBondContact CA-OG1 3.32Å; E395-T398 PolarHBondContact O-N 3.24Å; E395-T398 PolarHBondContact O-OG1 3.03Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.96Å; E395-R399 IonicContact OE1-NH2 3Å; E395-R399 PolarHBondContact OE1-NH2 3.44Å; E395-R399 IonicContact OE2-NH2 3.37Å
396R66.3Low64.4Low191 Ų191117.9 Ų117.972%0.72162%0.616SS**Hα-helixtrans-66.5-35.3179.9-155.3178.8-163.7-167.84.6112.1K392 Q393 A394 R399K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.15Å; Q393-R396 PolarHBondContact O-N 3.48Å; A394-R396 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 3.46Å; R396-R399 PolarHBondContact O-N 3.03Å
397M62.9Low64.5Low121 Ų121122.7 Ų122.760%0.59662%0.616SS**Hα-helixtrans-68.6-39.5171.2-90.4173.867.900112L389 Q393 A394 E395 R399 I400L389-M397 HydrophobicContact CD2-SD 3.52Å; L389-M397 VanDerWaalsContact CD2-SD 3.52Å; Q393-M397 PolarHBondContact O-N 2.91Å; A394-M397 PolarHBondContact O-N 2.95Å; E395-M397 VanDerWaalsContact C-N 3.34Å; E395-M397 PolarHBondContact O-N 3.12Å; M397-R399 PolarHBondContact O-N 3.33Å; M397-I400 PolarHBondContact O-N 3.43Å
398T65.9Low64.6Low107 Ų107115.4 Ų115.466%0.65660%0.6SS**Hα-helixtrans-71.6-14176.556.10000114.1A394 E395A394-T398 WeakPolarHBondContact O-CG2 3.43Å; A394-T398 PolarHBondContact O-N 2.92Å; A394-T398 PolarHBondContact O-OG1 3.48Å; E395-T398 VanDerWaalsContact CA-OG1 3.27Å; E395-T398 WeakPolarHBondContact CA-OG1 3.32Å; E395-T398 PolarHBondContact O-N 3.24Å; E395-T398 PolarHBondContact O-OG1 3.03Å
399R61.3Low64.3Low165 Ų165116.1 Ų116.162%0.62360%0.597SS**THydrogen-bonded Turntrans-88.9-11.9174.3-74.7-179.7-166.515910.5113.5E395 R396 M397 N401E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.96Å; E395-R399 IonicContact OE1-NH2 3Å; E395-R399 PolarHBondContact OE1-NH2 3.44Å; E395-R399 IonicContact OE2-NH2 3.37Å; R396-R399 PolarHBondContact O-N 3.03Å; M397-R399 PolarHBondContact O-N 3.33Å; R399-N401 PolarHBondContact O-N 3.12Å
400I59.6Low64.2Low96 Ų96116.6 Ų116.649%0.49260%0.604SS.*  trans-85.490.8170.7-60166.4000105.4M397 D402 L405M397-I400 PolarHBondContact O-N 3.43Å; I400-D402 PolarHBondContact O-N 2.77Å; I400-L405 HydrophobicContact CG2-CD2 4.13Å; I400-L405 HydrophobicContact CG2-CG 4.27Å
401N67.3Low63.9Low93 Ų93122 Ų12250%0.49763%0.625SS.*  trans-66.9130.1165.2-81.4-40000107.2R399 L403 D404R399-N401 PolarHBondContact O-N 3.12Å; N401-L403 HydrophobicContact CB-CB 4.44Å; N401-L403 PolarHBondContact O-N 3.09Å; N401-D404 PolarHBondContact O-N 3.19Å
402D60.9Low64.1Low130 Ų130122 Ų12270%0.69563%0.625SS**THydrogen-bonded Turntrans-57.7-13.9174.2-73.7-35.9000112.9I400I400-D402 PolarHBondContact O-N 2.77Å
403L62.6Low64.7Low164 Ų164121.4 Ų121.486%0.85962%0.618SS**THydrogen-bonded Turntrans-74.4-25.2172.3-63.1174.7000113.6N401 L405N401-L403 HydrophobicContact CB-CB 4.44Å; N401-L403 PolarHBondContact O-N 3.09Å; L403-L405 VanDerWaalsContact C-N 3.33Å
404D59.2Low65.3Low120 Ų120122.4 Ų122.464%0.64263%0.627SS**SBendtrans-87.9-6.9178.3-62.9-25.7000111.9N401N401-D404 PolarHBondContact O-N 3.19Å
405L62.7Low65.9Low87 Ų87128.8 Ų128.846%0.45565%0.646SS.*SBendtrans-74.9134.8172.2-67.4175.8000109.3I400 L403 R407I400-L405 HydrophobicContact CG2-CD2 4.13Å; I400-L405 HydrophobicContact CG2-CG 4.27Å; L403-L405 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 2.71Å
406P58.5Low66.8Low94 Ų94133.3 Ų133.361%0.6167%0.667SS**  trans-6498.6-177.626.1-34000110.2V408P406-V408 PolarHBondContact O-N 3.29Å; P406-V408 VanDerWaalsContact O-N 3.12Å
407R62.6Low67.8Low222 Ų222125.6 Ų125.684%0.83864%0.639SS**  trans-76.895.5166.9-92.6-174.7172.6-155.7-0.9107.8L405 S409L405-R407 PolarHBondContact O-N 2.71Å; R407-S409 PolarHBondContact O-N 3.43Å
408V58.6Low69.2Low108 Ų108122.1 Ų122.166%0.65563%0.627SS**  trans-56.3116.4166.4-178.50000107.4P406 T410P406-V408 PolarHBondContact O-N 3.29Å; P406-V408 VanDerWaalsContact O-N 3.12Å; V408-T410 HydrophobicContact CB-CG2 4.15Å; V408-T410 HydrophobicContact CG1-CG2 3.71Å; V408-T410 PolarHBondContact O-N 3.24Å
409S60.6Low70.4Confident70 Ų70125.8 Ų125.849%0.4963%0.634SS.*  trans-63.787.6169.2174.40000108.9R407 Q411R407-S409 PolarHBondContact O-N 3.43Å; S409-Q411 PolarHBondContact O-N 3.47Å
410T62.2Low71.9Confident119 Ų119125.6 Ų125.673%0.7364%0.64SS**  trans-88.818.917753.80000112.3V408 A412V408-T410 HydrophobicContact CB-CG2 4.15Å; V408-T410 HydrophobicContact CG1-CG2 3.71Å; V408-T410 PolarHBondContact O-N 3.24Å; T410-A412 PolarHBondContact O-N 3.26Å; T410-A412 VanDerWaalsContact O-N 3.08Å
411Q66.4Low73.3Confident175 Ų175126.6 Ų126.682%0.81864%0.643SS**  trans-66.2114.6-178.7-68.2-170.9-800110.2S409S409-Q411 PolarHBondContact O-N 3.47Å
412A72.1Confident74.2Confident87 Ų87127.5 Ų127.572%0.71964%0.639SS**PPolyproline II helixtrans-59.6146.2174.100000110.4T410 N414T410-A412 PolarHBondContact O-N 3.26Å; T410-A412 VanDerWaalsContact O-N 3.08Å; A412-N414 PolarHBondContact O-N 3.42Å
413R79.8Confident75.6Confident158 Ų158130.3 Ų130.360%0.59664%0.64SS**PPolyproline II helixtrans-60.4134.4179.787-178.6-178.295.8-4.3110.5
414N81.8Confident76.9Confident121 Ų121125.2 Ų125.265%0.64762%0.622SS**PPolyproline II helixtrans-75132.8165.3-70.3-20.9000109A412 E416A412-N414 PolarHBondContact O-N 3.42Å; N414-E416 VanDerWaalsContact C-N 3.3Å
415K83Confident78.1Confident179 Ų179123.3 Ų123.378%0.77861%0.605SS**THydrogen-bonded Turntrans-74.7-22.6-177.6-71.2172.6-1781740112.6
416E88.6Confident79.3Confident192 Ų192125.7 Ų125.790%0.89761%0.612SS**THydrogen-bonded Turntrans-105.323.8-176.6-60.718017700113.1N414N414-E416 VanDerWaalsContact C-N 3.3Å
417E87Confident80.7Confident29 Ų29125.9 Ų125.914%0.13661%0.605CS.*  trans-65.9140.3-179.768.9-178.5-16600112.9E421 R422 R425E417-E421 HydrophobicContact CB-CB 4.45Å; E417-R422 HydrophobicContact CG-CB 4.32Å; E417-R422 WeakPolarHBondContact OE1-CB 3.16Å; E417-R422 WeakPolarHBondContact OE1-CG 3.44Å; E417-R422 IonicContact OE1-CZ 3.55Å; E417-R422 IonicContact OE1-NE 3.48Å; E417-R422 PolarHBondContact OE1-NE 3.33Å; E417-R422 IonicContact OE1-NH2 3.47Å; E417-R425 IonicContact OE1-CZ 3.16Å; E417-R425 IonicContact OE1-NH1 2.67Å; E417-R425 PolarHBondContact OE1-NH1 3.42Å; E417-R425 IonicContact OE1-NH2 3.23Å; E417-R425 PolarHBondContact OE1-NH2 3.41Å; E417-R425 IonicContact OE2-CZ 3.82Å; E417-R425 IonicContact OE2-NH1 3.03Å; E417-R425 PolarHBondContact OE2-NH1 3.09Å; E417-R425 IonicContact OE2-NH2 3.31Å; E417-R425 PolarHBondContact OE2-NH2 3.34Å
418S93.3Very high81.9Confident48 Ų48117.8 Ų117.834%0.33659%0.586SS.*  trans-71.8163.9172.279.30000111.6E420 E421 R422S418-E420 VanDerWaalsContact C-N 3.26Å; S418-E420 PolarHBondContact O-N 3.43Å; S418-E421 PolarHBondContact N-OE2 3.49Å; S418-E421 PolarHBondContact O-N 3.15Å; S418-E421 WeakPolarHBondContact OG-CB 3.5Å; S418-E421 VanDerWaalsContact OG-CD 3.25Å; S418-E421 VanDerWaalsContact OG-CG 3.23Å; S418-E421 WeakPolarHBondContact OG-CG 3.22Å; S418-E421 PolarHBondContact OG-N 3.24Å; S418-E421 PolarHBondContact OG-OE1 2.97Å; S418-R422 WeakPolarHBondContact O-CB 3.36Å; S418-R422 PolarHBondContact O-N 2.84Å
419K91.5Very high83.2Confident185 Ų185115.5 Ų115.580%0.80457%0.569SS**Hα-helixtrans-62.2-35.1177.6-71.6-177.1-178.2177.80112.1R423K419-R423 PolarHBondContact O-N 3.42Å; K419-R423 VanDerWaalsContact O-N 3.16Å
420E91.6Very high84.5Confident161 Ų161119.9 Ų119.975%0.75258%0.579SS**Hα-helixtrans-71.3-45.2178.6-66.4-178.6174.200111.1S418 R422 R423 A424S418-E420 VanDerWaalsContact C-N 3.26Å; S418-E420 PolarHBondContact O-N 3.43Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.85Å; E420-R423 WeakPolarHBondContact O-CB 3.37Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-R423 VanDerWaalsContact O-N 3.12Å; E420-A424 PolarHBondContact O-N 2.73Å
421E89.2Confident85.6Confident117 Ų117118.8 Ų118.855%0.54757%0.566SS.*Hα-helixtrans-60.5-39.3174.2-72.7163-162.500112E417 S418 R423 A424 R425E417-E421 HydrophobicContact CB-CB 4.45Å; S418-E421 PolarHBondContact N-OE2 3.49Å; S418-E421 PolarHBondContact O-N 3.15Å; S418-E421 WeakPolarHBondContact OG-CB 3.5Å; S418-E421 VanDerWaalsContact OG-CD 3.25Å; S418-E421 VanDerWaalsContact OG-CG 3.23Å; S418-E421 WeakPolarHBondContact OG-CG 3.22Å; S418-E421 PolarHBondContact OG-N 3.24Å; S418-E421 PolarHBondContact OG-OE1 2.97Å; E421-R423 VanDerWaalsContact C-N 3.35Å; E421-R423 PolarHBondContact O-N 3.43Å; E421-A424 PolarHBondContact O-N 3.07Å; E421-R425 WeakPolarHBondContact O-CB 3.43Å; E421-R425 PolarHBondContact O-N 3.14Å
422R86.8Confident86.5Confident112 Ų112113.9 Ų113.942%0.42354%0.543SS..Hα-helixtrans-60.4-43.5173.8177.5177.1-63.8164.69.4112E417 S418 E420 K426E417-R422 HydrophobicContact CG-CB 4.32Å; E417-R422 WeakPolarHBondContact OE1-CB 3.16Å; E417-R422 WeakPolarHBondContact OE1-CG 3.44Å; E417-R422 IonicContact OE1-CZ 3.55Å; E417-R422 IonicContact OE1-NE 3.48Å; E417-R422 PolarHBondContact OE1-NE 3.33Å; E417-R422 IonicContact OE1-NH2 3.47Å; S418-R422 WeakPolarHBondContact O-CB 3.36Å; S418-R422 PolarHBondContact O-N 2.84Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.85Å; R422-K426 WeakPolarHBondContact O-CG 3.41Å; R422-K426 PolarHBondContact O-N 2.81Å; R422-K426 VanDerWaalsContact O-N 3.12Å
423R90.7Very high87.1Confident188 Ų188117.5 Ų117.571%0.70954%0.538SS*.Hα-helixtrans-65.8-47.9178.8-175.3179.11791750.8110.2K419 E420 E421 R425 K426 Q427K419-R423 PolarHBondContact O-N 3.42Å; K419-R423 VanDerWaalsContact O-N 3.16Å; E420-R423 WeakPolarHBondContact O-CB 3.37Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-R423 VanDerWaalsContact O-N 3.12Å; E421-R423 VanDerWaalsContact C-N 3.35Å; E421-R423 PolarHBondContact O-N 3.43Å; R423-R425 PolarHBondContact O-N 3.3Å; R423-K426 PolarHBondContact O-N 3.43Å; R423-Q427 WeakPolarHBondContact O-CB 3.48Å; R423-Q427 PolarHBondContact O-N 2.79Å
424A89.3Confident87.4Confident57 Ų57117 Ų11747%0.47154%0.54SS..Hα-helixtrans-58.9-45177.500000112E420 E421 K426 Q427 A428E420-A424 PolarHBondContact O-N 2.73Å; E421-A424 PolarHBondContact O-N 3.07Å; A424-K426 PolarHBondContact O-N 2.86Å; A424-Q427 PolarHBondContact O-N 3.24Å; A424-A428 WeakPolarHBondContact O-CB 3.16Å; A424-A428 PolarHBondContact O-N 3.48Å
425R85Confident87.5Confident80 Ų80117 Ų11730%0.30254%0.536SS..Hα-helixtrans-59.7-48.6175.8-176.9-163.662.5-149.6-21.2112E417 E421 R423 Q427 A428 I429E417-R425 IonicContact OE1-CZ 3.16Å; E417-R425 IonicContact OE1-NH1 2.67Å; E417-R425 PolarHBondContact OE1-NH1 3.42Å; E417-R425 IonicContact OE1-NH2 3.23Å; E417-R425 PolarHBondContact OE1-NH2 3.41Å; E417-R425 IonicContact OE2-CZ 3.82Å; E417-R425 IonicContact OE2-NH1 3.03Å; E417-R425 PolarHBondContact OE2-NH1 3.09Å; E417-R425 IonicContact OE2-NH2 3.31Å; E417-R425 PolarHBondContact OE2-NH2 3.34Å; E421-R425 WeakPolarHBondContact O-CB 3.43Å; E421-R425 PolarHBondContact O-N 3.14Å; R423-R425 PolarHBondContact O-N 3.3Å; R425-Q427 VanDerWaalsContact C-N 3.29Å; R425-Q427 PolarHBondContact O-N 3.23Å; R425-A428 PolarHBondContact O-N 3.3Å; R425-I429 HydrophobicContact CG-CD1 4.09Å; R425-I429 WeakPolarHBondContact O-CG1 3.49Å; R425-I429 PolarHBondContact O-N 3.06Å; R425-I429 VanDerWaalsContact O-N 3.09Å
426K86.6Confident87.7Confident137 Ų137114.4 Ų114.460%0.59652%0.522SS*.Hα-helixtrans-64.8-37-179.8-76.1-170.5174.2-167.90111.6R422 R423 A424 K430R422-K426 WeakPolarHBondContact O-CG 3.41Å; R422-K426 PolarHBondContact O-N 2.81Å; R422-K426 VanDerWaalsContact O-N 3.12Å; R423-K426 PolarHBondContact O-N 3.43Å; A424-K426 PolarHBondContact O-N 2.86Å; K426-K430 WeakPolarHBondContact O-CB 3.48Å; K426-K430 PolarHBondContact O-N 3.29Å
427Q89.1Confident87.6Confident98 Ų98114 Ų11446%0.45851%0.512SS..Hα-helixtrans-64.6-47.8175.4-179.2173-9.900111.4R423 A424 R425 I429 K430 E431R423-Q427 WeakPolarHBondContact O-CB 3.48Å; R423-Q427 PolarHBondContact O-N 2.79Å; A424-Q427 PolarHBondContact O-N 3.24Å; R425-Q427 VanDerWaalsContact C-N 3.29Å; R425-Q427 PolarHBondContact O-N 3.23Å; Q427-I429 VanDerWaalsContact C-N 3.33Å; Q427-I429 PolarHBondContact O-N 2.83Å; Q427-K430 CarbonylContact O-C 3.38Å; Q427-K430 WeakPolarHBondContact O-CA 3.23Å; Q427-K430 WeakPolarHBondContact O-CB 3.49Å; Q427-K430 PolarHBondContact O-N 2.68Å; Q427-E431 HydrophobicContact CG-CG 4.47Å; Q427-E431 VanDerWaalsContact CG-OE1 3.28Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.5Å; Q427-E431 PolarHBondContact NE2-OE1 3.16Å; Q427-E431 PolarHBondContact O-N 3.13Å
428A86.4Confident87.6Confident53 Ų53117.1 Ų117.144%0.43853%0.533SS..Hα-helixtrans-57.7-42.9176.900000112.3A424 R425 K430 E431 E432A424-A428 WeakPolarHBondContact O-CB 3.16Å; A424-A428 PolarHBondContact O-N 3.48Å; R425-A428 PolarHBondContact O-N 3.3Å; A428-K430 VanDerWaalsContact C-N 3.31Å; A428-K430 PolarHBondContact O-N 3.38Å; A428-E431 PolarHBondContact O-N 2.88Å; A428-E432 WeakPolarHBondContact O-CB 3.33Å; A428-E432 PolarHBondContact O-N 3.42Å
429I86.3Confident87.3Confident59 Ų59119 Ų11930%0.30354%0.536SS..Hα-helixtrans-64.9-35.9175.2-65.6166.5000111.4R425 Q427 R433R425-I429 HydrophobicContact CG-CD1 4.09Å; R425-I429 WeakPolarHBondContact O-CG1 3.49Å; R425-I429 PolarHBondContact O-N 3.06Å; R425-I429 VanDerWaalsContact O-N 3.09Å; Q427-I429 VanDerWaalsContact C-N 3.33Å; Q427-I429 PolarHBondContact O-N 2.83Å; I429-R433 WeakPolarHBondContact O-CB 3.32Å; I429-R433 VanDerWaalsContact O-CG 3.25Å; I429-R433 WeakPolarHBondContact O-CG 3.2Å; I429-R433 PolarHBondContact O-N 2.84Å
430K87.3Confident87.3Confident162 Ų162117.8 Ų117.870%0.70453%0.531SS*.Hα-helixtrans-69.2-40.4178.3-168.8178.1-179.8-177.90111.1K426 Q427 A428 K434K426-K430 WeakPolarHBondContact O-CB 3.48Å; K426-K430 PolarHBondContact O-N 3.29Å; Q427-K430 CarbonylContact O-C 3.38Å; Q427-K430 WeakPolarHBondContact O-CA 3.23Å; Q427-K430 WeakPolarHBondContact O-CB 3.49Å; Q427-K430 PolarHBondContact O-N 2.68Å; A428-K430 VanDerWaalsContact C-N 3.31Å; A428-K430 PolarHBondContact O-N 3.38Å; K430-K434 WeakPolarHBondContact O-CB 3.27Å; K430-K434 PolarHBondContact O-N 3.31Å
431E85Confident87.4Confident96 Ų96117.3 Ų117.345%0.44953%0.526SS..Hα-helixtrans-65.8-48.4175.3-73.2169.1-172.200111Q427 A428 R433 K434 E435Q427-E431 HydrophobicContact CG-CG 4.47Å; Q427-E431 VanDerWaalsContact CG-OE1 3.28Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.5Å; Q427-E431 PolarHBondContact NE2-OE1 3.16Å; Q427-E431 PolarHBondContact O-N 3.13Å; A428-E431 PolarHBondContact O-N 2.88Å; E431-R433 VanDerWaalsContact C-N 3.33Å; E431-R433 PolarHBondContact O-N 3.37Å; E431-K434 WeakPolarHBondContact O-CA 3.49Å; E431-K434 WeakPolarHBondContact O-CB 3.3Å; E431-K434 PolarHBondContact O-N 3.08Å; E431-E435 WeakPolarHBondContact O-CG 3.34Å; E431-E435 PolarHBondContact O-N 3.4Å
432E85.6Confident87.5Confident73 Ų73114.4 Ų114.434%0.34152%0.522SS..Hα-helixtrans-56.1-46.1174.6-174.9-17217300111.2A428 K434 E435 R436A428-E432 WeakPolarHBondContact O-CB 3.33Å; A428-E432 PolarHBondContact O-N 3.42Å; E432-K434 VanDerWaalsContact C-N 3.3Å; E432-K434 PolarHBondContact O-N 3.06Å; E432-E435 PolarHBondContact O-N 3.01Å; E432-R436 WeakPolarHBondContact O-CB 3.49Å; E432-R436 WeakPolarHBondContact O-CG 3.07Å; E432-R436 PolarHBondContact O-N 3.3Å
433R84.5Confident87.8Confident163 Ų163113.4 Ų113.462%0.61553%0.525SS*.Hα-helixtrans-62.9-35.6175.6-76.1176.2176.6-164.6-1.7112.7I429 E431 R437I429-R433 WeakPolarHBondContact O-CB 3.32Å; I429-R433 VanDerWaalsContact O-CG 3.25Å; I429-R433 WeakPolarHBondContact O-CG 3.2Å; I429-R433 PolarHBondContact O-N 2.84Å; E431-R433 VanDerWaalsContact C-N 3.33Å; E431-R433 PolarHBondContact O-N 3.37Å; R433-R437 VanDerWaalsContact O-CG 3.3Å; R433-R437 WeakPolarHBondContact O-CG 3.46Å; R433-R437 PolarHBondContact O-N 2.84Å; R433-R437 VanDerWaalsContact O-N 3.13Å
434K86Confident88Confident147 Ų147112.3 Ų112.364%0.63953%0.526SS*.Hα-helixtrans-66.9-48.7177.2-174.7-176.3176.5-174.60110.2K430 E431 E432 R436 R437 V438K430-K434 WeakPolarHBondContact O-CB 3.27Å; K430-K434 PolarHBondContact O-N 3.31Å; E431-K434 WeakPolarHBondContact O-CA 3.49Å; E431-K434 WeakPolarHBondContact O-CB 3.3Å; E431-K434 PolarHBondContact O-N 3.08Å; E432-K434 VanDerWaalsContact C-N 3.3Å; E432-K434 PolarHBondContact O-N 3.06Å; K434-R436 VanDerWaalsContact C-N 3.33Å; K434-R436 PolarHBondContact O-N 3.13Å; K434-R437 WeakPolarHBondContact O-CB 3.49Å; K434-R437 PolarHBondContact O-N 2.94Å; K434-R437 VanDerWaalsContact O-N 3.16Å; K434-V438 WeakPolarHBondContact O-CG2 3.44Å; K434-V438 PolarHBondContact O-N 2.94Å; K434-V438 VanDerWaalsContact O-N 3.08Å
435E85.3Confident88.2Confident120 Ų120113.8 Ų113.856%0.56153%0.525SS*.Hα-helixtrans-57.6-45.3176.1-70.3175173.400111.2E431 E432 R437 V438 E439E431-E435 WeakPolarHBondContact O-CG 3.34Å; E431-E435 PolarHBondContact O-N 3.4Å; E432-E435 PolarHBondContact O-N 3.01Å; E435-R437 VanDerWaalsContact C-N 3.31Å; E435-R437 PolarHBondContact O-N 3.49Å; E435-V438 WeakPolarHBondContact O-CA 3.46Å; E435-V438 WeakPolarHBondContact O-CB 3.46Å; E435-V438 PolarHBondContact O-N 2.87Å; E435-E439 WeakPolarHBondContact O-CG 3.34Å; E435-E439 PolarHBondContact O-N 3.35Å
436R85.9Confident88.7Confident125 Ų125112.3 Ų112.347%0.47253%0.53SS..Hα-helixtrans-63.2-33.4177.5-67.1-67.2-69.5150-6.9113.6E432 K434 E439 K440E432-R436 WeakPolarHBondContact O-CB 3.49Å; E432-R436 WeakPolarHBondContact O-CG 3.07Å; E432-R436 PolarHBondContact O-N 3.3Å; K434-R436 VanDerWaalsContact C-N 3.33Å; K434-R436 PolarHBondContact O-N 3.13Å; R436-E439 WeakPolarHBondContact CD-OE2 3.46Å; R436-E439 IonicContact CZ-OE2 2.82Å; R436-E439 IonicContact NE-OE2 3.61Å; R436-E439 IonicContact NH1-OE2 3.65Å; R436-E439 PolarHBondContact NH1-OE2 2.87Å; R436-K440 VanDerWaalsContact O-CB 3.27Å; R436-K440 WeakPolarHBondContact O-CB 3.44Å; R436-K440 PolarHBondContact O-N 2.98Å
437R86.4Confident89.1Confident184 Ų184113.5 Ų113.569%0.69454%0.536SS*.Hα-helixtrans-68.2-40.8173-71.8171-168.5176.40.3111.2R433 K434 E435 K440 K441R433-R437 VanDerWaalsContact O-CG 3.3Å; R433-R437 WeakPolarHBondContact O-CG 3.46Å; R433-R437 PolarHBondContact O-N 2.84Å; R433-R437 VanDerWaalsContact O-N 3.13Å; K434-R437 WeakPolarHBondContact O-CB 3.49Å; K434-R437 PolarHBondContact O-N 2.94Å; K434-R437 VanDerWaalsContact O-N 3.16Å; E435-R437 VanDerWaalsContact C-N 3.31Å; E435-R437 PolarHBondContact O-N 3.49Å; R437-K440 PolarHBondContact O-N 2.69Å; R437-K441 WeakPolarHBondContact O-CB 3.45Å; R437-K441 PolarHBondContact O-N 2.99Å
438V87.4Confident89.5Confident94 Ų94115.9 Ų115.957%0.5754%0.544SS*.Hα-helixtrans-63.7-47.9176.3174.50000110.4K434 E435 K440 K441 A442K434-V438 WeakPolarHBondContact O-CG2 3.44Å; K434-V438 PolarHBondContact O-N 2.94Å; K434-V438 VanDerWaalsContact O-N 3.08Å; E435-V438 WeakPolarHBondContact O-CA 3.46Å; E435-V438 WeakPolarHBondContact O-CB 3.46Å; E435-V438 PolarHBondContact O-N 2.87Å; V438-K440 PolarHBondContact O-N 2.97Å; V438-K441 WeakPolarHBondContact O-CB 3.38Å; V438-K441 PolarHBondContact O-N 3.33Å; V438-K441 VanDerWaalsContact O-N 3.15Å; V438-A442 WeakPolarHBondContact O-CB 3.33Å; V438-A442 PolarHBondContact O-N 3.38Å
439E87.3Confident89.9Confident87 Ų87120 Ų12041%0.40756%0.555SS.*Hα-helixtrans-59.8-43.5175.2-72.3175.1-175.800112.3E435 R436 K441 A442 N443E435-E439 WeakPolarHBondContact O-CG 3.34Å; E435-E439 PolarHBondContact O-N 3.35Å; R436-E439 WeakPolarHBondContact CD-OE2 3.46Å; R436-E439 IonicContact CZ-OE2 2.82Å; R436-E439 IonicContact NE-OE2 3.61Å; R436-E439 IonicContact NH1-OE2 3.65Å; R436-E439 PolarHBondContact NH1-OE2 2.87Å; E439-K441 VanDerWaalsContact C-N 3.29Å; E439-K441 PolarHBondContact O-N 2.88Å; E439-A442 PolarHBondContact O-N 3.35Å; E439-N443 WeakPolarHBondContact O-CB 3.41Å; E439-N443 VanDerWaalsContact O-CG 3.3Å; E439-N443 PolarHBondContact O-N 3Å; E439-N443 PolarHBondContact O-ND2 3.01Å
440K91.1Very high90.3Very high160 Ų160120.5 Ų120.570%0.69656%0.556SS**Hα-helixtrans-60.6-40.9175.9-175.1179.7180-178.20111.2R436 R437 V438 K444R436-K440 VanDerWaalsContact O-CB 3.27Å; R436-K440 WeakPolarHBondContact O-CB 3.44Å; R436-K440 PolarHBondContact O-N 2.98Å; R437-K440 PolarHBondContact O-N 2.69Å; V438-K440 PolarHBondContact O-N 2.97Å; K440-K444 WeakPolarHBondContact O-CB 3.32Å; K440-K444 PolarHBondContact O-N 3.49Å
441K93.3Very high90.7Very high152 Ų152118.9 Ų118.966%0.66155%0.549SS*.Hα-helixtrans-65.7-47.5176.5-171177.8179.4-177.30110.9R437 V438 E439 N443 K444 L445R437-K441 WeakPolarHBondContact O-CB 3.45Å; R437-K441 PolarHBondContact O-N 2.99Å; V438-K441 WeakPolarHBondContact O-CB 3.38Å; V438-K441 PolarHBondContact O-N 3.33Å; V438-K441 VanDerWaalsContact O-N 3.15Å; E439-K441 VanDerWaalsContact C-N 3.29Å; E439-K441 PolarHBondContact O-N 2.88Å; K441-N443 PolarHBondContact O-N 2.96Å; K441-K444 PolarHBondContact O-N 2.88Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 2.76Å
442A93.1Very high91.3Very high55 Ų55118.5 Ų118.546%0.45555%0.552SS.*Hα-helixtrans-59.5-46.5177.400000112V438 E439 K444 L445 A446V438-A442 WeakPolarHBondContact O-CB 3.33Å; V438-A442 PolarHBondContact O-N 3.38Å; E439-A442 PolarHBondContact O-N 3.35Å; A442-K444 PolarHBondContact O-N 3.42Å; A442-L445 PolarHBondContact O-N 3.05Å; A442-A446 PolarHBondContact O-N 3.22Å
443N93.4Very high91.8Very high92 Ų92121.4 Ų121.449%0.49256%0.56SS.*Hα-helixtrans-62.8-42.6176.2-74.4-28.6000111.8E439 K441 L445 A446 F447E439-N443 WeakPolarHBondContact O-CB 3.41Å; E439-N443 VanDerWaalsContact O-CG 3.3Å; E439-N443 PolarHBondContact O-N 3Å; E439-N443 PolarHBondContact O-ND2 3.01Å; K441-N443 PolarHBondContact O-N 2.96Å; N443-L445 VanDerWaalsContact C-N 3.29Å; N443-L445 PolarHBondContact O-N 2.99Å; N443-A446 PolarHBondContact O-N 2.97Å; N443-F447 WeakPolarHBondContact O-CD2 3.39Å; N443-F447 PolarHBondContact O-N 3.48Å
444K94Very high92.2Very high165 Ų165118.7 Ų118.772%0.71756%0.555SS**Hα-helixtrans-60.1-40177.2-170.3176.7-177.9-176.80111.7K440 K441 A442 K448K440-K444 WeakPolarHBondContact O-CB 3.32Å; K440-K444 PolarHBondContact O-N 3.49Å; K441-K444 PolarHBondContact O-N 2.88Å; A442-K444 PolarHBondContact O-N 3.42Å; K444-K448 WeakPolarHBondContact O-CB 3.43Å; K444-K448 PolarHBondContact O-N 2.93Å; K444-K448 VanDerWaalsContact O-N 3.12Å
445L93.6Very high92.6Very high87 Ų87116.7 Ų116.746%0.45555%0.548SS..Hα-helixtrans-67.1-47.8175.6-69.3173.6000111.6K441 A442 N443 F447 K448 E449K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 2.76Å; A442-L445 PolarHBondContact O-N 3.05Å; N443-L445 VanDerWaalsContact C-N 3.29Å; N443-L445 PolarHBondContact O-N 2.99Å; L445-F447 VanDerWaalsContact C-N 3.31Å; L445-F447 PolarHBondContact O-N 3.47Å; L445-K448 WeakPolarHBondContact O-CA 3.42Å; L445-K448 WeakPolarHBondContact O-CB 3.28Å; L445-K448 PolarHBondContact O-N 3.03Å; L445-E449 PolarHBondContact O-N 3.32Å
446A94.4Very high93.1Very high50 Ų50118.3 Ų118.341%0.41355%0.553SS.*Hα-helixtrans-57.7-41.517800000112.6A442 N443 E450A442-A446 PolarHBondContact O-N 3.22Å; N443-A446 PolarHBondContact O-N 2.97Å; A446-E450 WeakPolarHBondContact O-CB 3.17Å; A446-E450 PolarHBondContact O-N 3.28Å
447F95.8Very high93.5Very high162 Ų162117.1 Ų117.171%0.71155%0.552SS**Hα-helixtrans-68.3-34.2175-89.6-85.3000112.9N443 L445 K451N443-F447 WeakPolarHBondContact O-CD2 3.39Å; N443-F447 PolarHBondContact O-N 3.48Å; L445-F447 VanDerWaalsContact C-N 3.31Å; L445-F447 PolarHBondContact O-N 3.47Å; F447-K451 WeakPolarHBondContact O-CB 3.25Å; F447-K451 PolarHBondContact O-N 3.3Å
448K96.6Very high93.6Very high147 Ų147113.2 Ų113.264%0.63954%0.543SS*.Hα-helixtrans-66.4-45.1176-171.3-179178.8-173.70110.9K444 L445 K451 V452K444-K448 WeakPolarHBondContact O-CB 3.43Å; K444-K448 PolarHBondContact O-N 2.93Å; K444-K448 VanDerWaalsContact O-N 3.12Å; L445-K448 WeakPolarHBondContact O-CA 3.42Å; L445-K448 WeakPolarHBondContact O-CB 3.28Å; L445-K448 PolarHBondContact O-N 3.03Å; K448-K451 PolarHBondContact O-N 3.43Å; K448-V452 WeakPolarHBondContact O-CG2 3.38Å; K448-V452 PolarHBondContact O-N 3.31Å; K448-V452 VanDerWaalsContact O-N 3.16Å
449E95.6Very high93.8Very high140 Ų140114.3 Ų114.365%0.65455%0.545SS*.Hα-helixtrans-63.2-45176.8-71.1173.9-170.600112.1L445 K451 V452 R453L445-E449 PolarHBondContact O-N 3.32Å; E449-K451 VanDerWaalsContact C-N 3.32Å; E449-K451 PolarHBondContact O-N 2.94Å; E449-V452 PolarHBondContact O-N 2.77Å; E449-R453 PolarHBondContact O-N 3.28Å
450E94.7Very high94Very high69 Ų69114.3 Ų114.332%0.32255%0.548SS..Hα-helixtrans-65.9-35.7179.2-17460.2-162.700111.8A446 R453 Q454A446-E450 WeakPolarHBondContact O-CB 3.17Å; A446-E450 PolarHBondContact O-N 3.28Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.93Å; E450-R453 IonicContact OE1-CZ 2.64Å; E450-R453 IonicContact OE1-NE 3.62Å; E450-R453 PolarHBondContact OE1-NE 3.22Å; E450-R453 IonicContact OE1-NH2 3.25Å; E450-R453 PolarHBondContact OE1-NH2 2.81Å; E450-R453 IonicContact OE2-CZ 3.28Å; E450-R453 VanDerWaalsContact OE2-CZ 3.25Å; E450-R453 IonicContact OE2-NE 3.8Å; E450-R453 PolarHBondContact OE2-NE 3.27Å; E450-R453 IonicContact OE2-NH2 2.74Å; E450-R453 PolarHBondContact OE2-NH2 3.12Å; E450-Q454 WeakPolarHBondContact O-CG 3.45Å; E450-Q454 PolarHBondContact O-N 2.88Å
451K96.8Very high93.8Very high129 Ų129111 Ų11156%0.56154%0.537SS*.Hα-helixtrans-59.6-49.8173179.1178.2172.5178.80111.2F447 K448 E449 R453 Q454 E455F447-K451 WeakPolarHBondContact O-CB 3.25Å; F447-K451 PolarHBondContact O-N 3.3Å; K448-K451 PolarHBondContact O-N 3.43Å; E449-K451 VanDerWaalsContact C-N 3.32Å; E449-K451 PolarHBondContact O-N 2.94Å; K451-R453 VanDerWaalsContact C-N 3.28Å; K451-R453 PolarHBondContact O-N 2.84Å; K451-Q454 PolarHBondContact O-N 3.4Å; K451-E455 WeakPolarHBondContact CE-OE1 3.33Å; K451-E455 IonicContact NZ-OE1 2.98Å; K451-E455 WeakPolarHBondContact O-CG 3.35Å; K451-E455 PolarHBondContact O-N 3.47Å
452V95.8Very high93.3Very high87 Ų87112.2 Ų112.253%0.52754%0.538SS..Hα-helixtrans-59.7-40.8177.5172.70000110.9K448 E449 Q454 E455 K456K448-V452 WeakPolarHBondContact O-CG2 3.38Å; K448-V452 PolarHBondContact O-N 3.31Å; K448-V452 VanDerWaalsContact O-N 3.16Å; E449-V452 PolarHBondContact O-N 2.77Å; V452-Q454 PolarHBondContact O-N 3.3Å; V452-E455 PolarHBondContact O-N 3.09Å; V452-K456 WeakPolarHBondContact O-CB 3.36Å; V452-K456 PolarHBondContact O-N 2.88Å
453R96Very high92.9Very high135 Ų135113.7 Ų113.751%0.50954%0.542SS..Hα-helixtrans-61.5-44.5176.8-167.4-178.379.5151.51.5112.2E449 E450 K451 K456 Q457E449-R453 PolarHBondContact O-N 3.28Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.93Å; E450-R453 IonicContact OE1-CZ 2.64Å; E450-R453 IonicContact OE1-NE 3.62Å; E450-R453 PolarHBondContact OE1-NE 3.22Å; E450-R453 IonicContact OE1-NH2 3.25Å; E450-R453 PolarHBondContact OE1-NH2 2.81Å; E450-R453 IonicContact OE2-CZ 3.28Å; E450-R453 VanDerWaalsContact OE2-CZ 3.25Å; E450-R453 IonicContact OE2-NE 3.8Å; E450-R453 PolarHBondContact OE2-NE 3.27Å; E450-R453 IonicContact OE2-NH2 2.74Å; E450-R453 PolarHBondContact OE2-NH2 3.12Å; K451-R453 VanDerWaalsContact C-N 3.28Å; K451-R453 PolarHBondContact O-N 2.84Å; R453-K456 PolarHBondContact O-N 3.46Å; R453-Q457 WeakPolarHBondContact O-CG 3.35Å; R453-Q457 PolarHBondContact O-N 3.45Å
454Q94.6Very high92.3Very high105 Ų105114.9 Ų114.949%0.49155%0.548SS..Hα-helixtrans-66.5-42.6178.7-73.1-17913.700111.9E450 K451 V452 K456 Q457 M458E450-Q454 WeakPolarHBondContact O-CG 3.45Å; E450-Q454 PolarHBondContact O-N 2.88Å; K451-Q454 PolarHBondContact O-N 3.4Å; V452-Q454 PolarHBondContact O-N 3.3Å; Q454-K456 VanDerWaalsContact C-N 3.32Å; Q454-K456 PolarHBondContact O-N 3.26Å; Q454-Q457 PolarHBondContact O-N 2.9Å; Q454-M458 WeakPolarHBondContact O-CB 3.45Å; Q454-M458 VanDerWaalsContact O-CG 3.32Å; Q454-M458 WeakPolarHBondContact O-CG 3.48Å; Q454-M458 PolarHBondContact O-N 3.47Å
455E94.1Very high91.2Very high106 Ų106111.9 Ų111.950%0.49554%0.539SS..Hα-helixtrans-59.1-44.2175.5-73.8172.2176.800111.3K451 V452 Q457 M458 L459K451-E455 WeakPolarHBondContact CE-OE1 3.33Å; K451-E455 IonicContact NZ-OE1 2.98Å; K451-E455 WeakPolarHBondContact O-CG 3.35Å; K451-E455 PolarHBondContact O-N 3.47Å; V452-E455 PolarHBondContact O-N 3.09Å; E455-Q457 PolarHBondContact O-N 3.43Å; E455-M458 PolarHBondContact O-N 3.05Å; E455-L459 WeakPolarHBondContact O-CB 3.36Å; E455-L459 PolarHBondContact O-N 3.12Å
456K95.6Very high89.5Confident154 Ų154116.4 Ų116.467%0.6756%0.557SS**Hα-helixtrans-61.7-42.9175.4-173174.4-177.3173.80112.3V452 R453 Q454 L459 N460V452-K456 WeakPolarHBondContact O-CB 3.36Å; V452-K456 PolarHBondContact O-N 2.88Å; R453-K456 PolarHBondContact O-N 3.46Å; Q454-K456 VanDerWaalsContact C-N 3.32Å; Q454-K456 PolarHBondContact O-N 3.26Å; K456-L459 PolarHBondContact O-N 3.12Å; K456-N460 WeakPolarHBondContact O-CB 3.39Å; K456-N460 PolarHBondContact O-N 2.88Å
457Q93.1Very high88Confident99 Ų99117 Ų11746%0.46357%0.569SS.*Hα-helixtrans-63.2-45.8176.4-73.6176.6100111.3R453 Q454 E455 L459 N460 L461R453-Q457 WeakPolarHBondContact O-CG 3.35Å; R453-Q457 PolarHBondContact O-N 3.45Å; Q454-Q457 PolarHBondContact O-N 2.9Å; E455-Q457 PolarHBondContact O-N 3.43Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-L459 PolarHBondContact O-N 2.9Å; Q457-N460 WeakPolarHBondContact O-CB 3.43Å; Q457-N460 PolarHBondContact O-N 3.1Å; Q457-L461 VanDerWaalsContact O-CG 3.32Å; Q457-L461 WeakPolarHBondContact O-CG 3.41Å; Q457-L461 PolarHBondContact O-N 3.45Å
458M90.1Very high86Confident102 Ų102116.5 Ų116.550%0.50257%0.573SS.*Hα-helixtrans-61.2-41.6178-73.2-61.7-65.500112.2Q454 E455 L461 R462Q454-M458 WeakPolarHBondContact O-CB 3.45Å; Q454-M458 VanDerWaalsContact O-CG 3.32Å; Q454-M458 WeakPolarHBondContact O-CG 3.48Å; Q454-M458 PolarHBondContact O-N 3.47Å; E455-M458 PolarHBondContact O-N 3.05Å; M458-L461 PolarHBondContact O-N 2.82Å; M458-L461 HydrophobicContact SD-CD1 4.25Å; M458-R462 WeakPolarHBondContact O-CG 3.48Å; M458-R462 PolarHBondContact O-N 3.19Å
459L90.3Very high84.1Confident117 Ų117119.2 Ų119.261%0.61359%0.585SS**Hα-helixtrans-60.9-45.9174.2-166.2114000111E455 K456 Q457 L461 R462 T463E455-L459 WeakPolarHBondContact O-CB 3.36Å; E455-L459 PolarHBondContact O-N 3.12Å; K456-L459 PolarHBondContact O-N 3.12Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-L459 PolarHBondContact O-N 2.9Å; L459-L461 VanDerWaalsContact C-N 3.32Å; L459-L461 PolarHBondContact O-N 3.16Å; L459-R462 PolarHBondContact O-N 3.44Å; L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.31Å; L459-T463 PolarHBondContact O-OG1 3.38Å
460N91.1Very high81.6Confident87 Ų87123.6 Ų123.647%0.46561%0.611SS.*Hα-helixtrans-63.9-35178.9-126.7-5.4000113K456 Q457 T463 N464K456-N460 WeakPolarHBondContact O-CB 3.39Å; K456-N460 PolarHBondContact O-N 2.88Å; Q457-N460 WeakPolarHBondContact O-CB 3.43Å; Q457-N460 PolarHBondContact O-N 3.1Å; N460-T463 WeakPolarHBondContact CA-OG1 3.44Å; N460-T463 PolarHBondContact O-OG1 2.95Å; N460-T463 VanDerWaalsContact O-OG1 3.1Å; N460-N464 VanDerWaalsContact O-CB 3.28Å; N460-N464 WeakPolarHBondContact O-CB 3.43Å; N460-N464 PolarHBondContact O-N 3.08Å; N460-N464 VanDerWaalsContact O-N 3.1Å; N460-N464 PolarHBondContact O-ND2 2.82Å; N460-N464 PolarHBondContact OD1-ND2 3.47Å
461L87.7Confident80.9Confident90 Ų90126.4 Ų126.447%0.47163%0.626SS.*Hα-helixtrans-67.4-44174.1-65.8172.2000110.5Q457 M458 L459 T463 N464 I465Q457-L461 VanDerWaalsContact O-CG 3.32Å; Q457-L461 WeakPolarHBondContact O-CG 3.41Å; Q457-L461 PolarHBondContact O-N 3.45Å; M458-L461 PolarHBondContact O-N 2.82Å; M458-L461 HydrophobicContact SD-CD1 4.25Å; L459-L461 VanDerWaalsContact C-N 3.32Å; L459-L461 PolarHBondContact O-N 3.16Å; L461-T463 PolarHBondContact O-N 3.41Å; L461-N464 PolarHBondContact O-N 3.37Å; L461-I465 HydrophobicContact CB-CD1 4.25Å; L461-I465 HydrophobicContact CD2-CD1 3.33Å; L461-I465 HydrophobicContact CD2-CG1 4.46Å; L461-I465 HydrophobicContact CG-CD1 4.37Å; L461-I465 VanDerWaalsContact O-CB 3.25Å; L461-I465 WeakPolarHBondContact O-CB 3.23Å; L461-I465 PolarHBondContact O-N 2.67Å
462R83.8Confident80.1Confident178 Ų178126.2 Ų126.267%0.67263%0.629SS**Hα-helixtrans-60.8-43.4177.1-73.8179.4177.8-179.7-0.8112M458 L459M458-R462 WeakPolarHBondContact O-CG 3.48Å; M458-R462 PolarHBondContact O-N 3.19Å; L459-R462 PolarHBondContact O-N 3.44Å
463T84.4Confident79.2Confident87 Ų87128.4 Ų128.453%0.53464%0.635SS.*Hα-helixtrans-71.9-37.4-178.958.10000113.1L459 N460 L461L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.31Å; L459-T463 PolarHBondContact O-OG1 3.38Å; N460-T463 WeakPolarHBondContact CA-OG1 3.44Å; N460-T463 PolarHBondContact O-OG1 2.95Å; N460-T463 VanDerWaalsContact O-OG1 3.1Å; L461-T463 PolarHBondContact O-N 3.41Å
464N79.6Confident78.2Confident117 Ų117128 Ų12863%0.62664%0.642SS**Hα-helixtrans-102.5-14.4-168.2-58.9-34000114.5N460 L461N460-N464 VanDerWaalsContact O-CB 3.28Å; N460-N464 WeakPolarHBondContact O-CB 3.43Å; N460-N464 PolarHBondContact O-N 3.08Å; N460-N464 VanDerWaalsContact O-N 3.1Å; N460-N464 PolarHBondContact O-ND2 2.82Å; N460-N464 PolarHBondContact OD1-ND2 3.47Å; L461-N464 PolarHBondContact O-N 3.37Å
465I70.6Confident77.2Confident102 Ų102129.4 Ų129.452%0.52365%0.652SS.*Hα-helixtrans-109-4.9-174.6-56.1-179.1000113L461 G467L461-I465 HydrophobicContact CB-CD1 4.25Å; L461-I465 HydrophobicContact CD2-CD1 3.33Å; L461-I465 HydrophobicContact CD2-CG1 4.46Å; L461-I465 HydrophobicContact CG-CD1 4.37Å; L461-I465 VanDerWaalsContact O-CB 3.25Å; L461-I465 WeakPolarHBondContact O-CB 3.23Å; L461-I465 PolarHBondContact O-N 2.67Å; I465-G467 PolarHBondContact O-N 3.37Å
466Q58.8Low76.1Confident181 Ų181131 Ų13185%0.84666%0.662SS**  trans-73.273.5167.9-85.4-176.5-18.900111
467G63.7Low74.7Confident64 Ų64129.4 Ų129.466%0.6666%0.662SS**  trans-175.433.9-177.100000114.7I465 K469I465-G467 PolarHBondContact O-N 3.37Å; G467-K469 PolarHBondContact O-N 3.02Å; G467-K469 VanDerWaalsContact O-N 3.14Å
468L52.5Low73.3Confident150 Ų150131.7 Ų131.779%0.78568%0.677SS**  trans-76.794.5163.7-95.4147.8000108.5L470L468-L470 PolarHBondContact O-N 3.49Å; L468-L470 VanDerWaalsContact O-N 3.15Å
469K58.3Low71.9Confident205 Ų205134.2 Ų134.289%0.89169%0.692SS**  trans-68.3100.1158-77.9-179.3176.7176.90107.4G467G467-K469 PolarHBondContact O-N 3.02Å; G467-K469 VanDerWaalsContact O-N 3.14Å
470L41.7Very low70.2Confident232 Ų232135.7 Ų135.7100%1.21570%0.699SS**  trans-69.80162.6-99.1147.1000110.4L468L468-L470 PolarHBondContact O-N 3.49Å; L468-L470 VanDerWaalsContact O-N 3.15Å

Retrieved 470 of 470 residues in 105.5 ms (Link to these results)