A0A087XTA9_POEFO Loading...

Upstream binding transcription factor

AlphaFold DB (A0A3B3ULD3), UniProt , Accession A0A087XTA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 738 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
1M35Very low39.7Very low240 Ų240146.7 Ų146.7100%1.18284%0.842SS**  0128.80-84.2172.3163.400106.5
2N37.8Very low41.7Very low153 Ų153142.1 Ų142.182%0.81881%0.807SS**  trans-78151.1-167.9-57.98.5000110.3
3G32.4Very low44.3Very low75 Ų75141.5 Ų141.577%0.77381%0.808SS**  trans-131.688.9166.200000107.5M5G3-M5 PolarHBondContact O-N 2.73Å
4D42.7Very low47.3Very low141 Ų141133.9 Ų133.975%0.75476%0.759SS**  trans-62.4132.6174.5-65.7-75000110.2
5M38.1Very low50Low185 Ų185128.1 Ų128.191%0.91174%0.735SS**  trans-12886.8159.6-84.9-166.2167.500108G3 A7G3-M5 PolarHBondContact O-N 2.73Å; M5-A7 PolarHBondContact O-N 3.28Å
6E40.8Very low52.2Low181 Ų181126.6 Ų126.685%0.84672%0.719SS**  trans-55.2108.6155.1-69-176.3110.900107.7V8E6-V8 VanDerWaalsContact C-N 3.26Å; E6-V8 PolarHBondContact O-N 2.74Å
7A39.4Very low54.3Low98 Ų98126.5 Ų126.581%0.8172%0.716SS**  trans-70.988.3174.700000108.4M5 A9M5-A7 PolarHBondContact O-N 3.28Å; A7-A9 PolarHBondContact O-N 3.07Å
8V37.2Very low56.3Low117 Ų117121.1 Ų121.171%0.70969%0.685SS**  trans-45.1115.5-179.1177.50000110E6 Q10E6-V8 VanDerWaalsContact C-N 3.26Å; E6-V8 PolarHBondContact O-N 2.74Å; V8-Q10 HydrophobicContact CG1-CG 4.34Å; V8-Q10 PolarHBondContact O-N 3.27Å
9A41.3Very low58Low102 Ų102116.1 Ų116.184%0.84366%0.656SS**  trans-68.382.4174.200000109.6A7 D11A7-A9 PolarHBondContact O-N 3.07Å; A9-D11 PolarHBondContact O-N 2.83Å
10Q41.5Very low59.7Low160 Ų160111.4 Ų111.475%0.74863%0.629SS**  trans-62.9127.9171.2-69.3-175-18.700108.5V8 Q12V8-Q10 HydrophobicContact CG1-CG 4.34Å; V8-Q10 PolarHBondContact O-N 3.27Å; Q10-Q12 PolarHBondContact O-N 2.64Å
11D50.6Low61.2Low162 Ų162110.3 Ų110.387%0.86662%0.618SS**  trans-70.379.8178.6-167.310.3000109.4A9 V13A9-D11 PolarHBondContact O-N 2.83Å; D11-V13 PolarHBondContact O-N 2.65Å
12Q63.8Low63.9Low91 Ų9199 Ų9943%0.42556%0.562SS.*  trans-75.9101.8-164.5-170.2164.912.700110.1Q10 W14Q10-Q12 PolarHBondContact O-N 2.64Å; Q12-W14 VanDerWaalsContact O-CD1 3.23Å; Q12-W14 PolarHBondContact O-N 2.83Å
13V76.1Confident66.5Low134 Ų13491.8 Ų91.881%0.81252%0.523SS*.  trans-56.3108.1-176.1-176.80000111D11 A15D11-V13 PolarHBondContact O-N 2.65Å; V13-A15 PolarHBondContact O-N 3.38Å
14W85.5Confident69.3Low35 Ų3591.7 Ų91.713%0.13351%0.505CS..  trans-67.8119.8175.9-78.669.4000110.9Q12 D18 L19 L22 F52 Y55 M59 K63Q12-W14 VanDerWaalsContact O-CD1 3.23Å; Q12-W14 PolarHBondContact O-N 2.83Å; W14-D18 HydrophobicContact CE3-CB 4.02Å; W14-D18 HydrophobicContact CZ3-CB 4.46Å; W14-L19 HydrophobicContact CB-CD2 4Å; W14-L19 HydrophobicContact CB-CG 4.09Å; W14-L19 HydrophobicContact CD2-CD2 4.14Å; W14-L19 HydrophobicContact CE3-CD2 3.72Å; W14-L19 HydrophobicContact CE3-CG 4.25Å; W14-L19 HydrophobicContact CG-CD2 4.3Å; W14-L22 HydrophobicContact CH2-CD2 4.1Å; W14-L22 HydrophobicContact CZ3-CB 4.04Å; W14-L22 HydrophobicContact CZ3-CD2 3.92Å; W14-L22 HydrophobicContact CZ3-CG 4.49Å; W14-F52 HydrophobicContact CH2-CE1 4.22Å; W14-F52 HydrophobicContact CH2-CZ 4.31Å; W14-F52 HydrophobicContact CZ3-CE1 4.04Å; W14-F52 AromaticContact CZ3-CZ 3.78Å; W14-F52 HydrophobicContact CZ3-CZ 3.78Å; W14-Y55 HydrophobicContact CD2-CD1 4.24Å; W14-Y55 AromaticContact CD2-CE1 3.87Å; W14-Y55 HydrophobicContact CD2-CE1 3.87Å; W14-Y55 AromaticContact CE2-CD1 3.6Å; W14-Y55 AromaticContact CE2-CE1 3.62Å; W14-Y55 HydrophobicContact CE3-CE1 4.36Å; W14-Y55 HydrophobicContact CG-CE1 4.26Å; W14-Y55 AromaticContact CH2-CD1 3.9Å; W14-Y55 HydrophobicContact CH2-CD1 3.9Å; W14-Y55 HydrophobicContact CH2-CD2 4.18Å; W14-Y55 HydrophobicContact CH2-CE1 4.43Å; W14-Y55 AromaticContact CH2-CG 3.74Å; W14-Y55 HydrophobicContact CH2-CG 3.74Å; W14-Y55 AromaticContact CZ2-CD1 3.43Å; W14-Y55 HydrophobicContact CZ2-CD1 3.43Å; W14-Y55 VanDerWaalsContact CZ2-CD1 3.43Å; W14-Y55 AromaticContact CZ2-CE1 3.95Å; W14-Y55 HydrophobicContact CZ2-CE1 3.95Å; W14-Y55 AromaticContact CZ2-CG 3.76Å; W14-Y55 HydrophobicContact CZ2-CG 3.76Å; W14-Y55 HydrophobicContact CZ3-CD1 4.46Å; W14-Y55 HydrophobicContact CZ3-CD2 4.3Å; W14-Y55 HydrophobicContact CZ3-CE2 4.47Å; W14-Y55 HydrophobicContact CZ3-CG 4.28Å; W14-Y55 AromaticContact NE1-CD1 3.99Å; W14-Y55 AromaticContact NE1-CE1 3.8Å; W14-M59 HydrophobicContact CZ2-CB 4.22Å; W14-K63 HydrophobicContact CB-CD 4.5Å; W14-K63 HydrophobicContact CD2-CB 4.3Å; W14-K63 HydrophobicContact CD2-CD 4.04Å; W14-K63 HydrophobicContact CD2-CG 3.71Å; W14-K63 HydrophobicContact CE3-CG 4.08Å; W14-K63 HydrophobicContact CG-CD 3.84Å; W14-K63 HydrophobicContact CG-CG 4.03Å; W14-K63 HydrophobicContact CH2-CB 4.16Å; W14-K63 HydrophobicContact CH2-CG 4.49Å; W14-K63 HydrophobicContact CZ2-CB 3.79Å; W14-K63 HydrophobicContact CZ2-CG 4.15Å; W14-K63 HydrophobicContact CZ3-CG 4.45Å
15A87.9Confident71.6Confident47 Ų4786.2 Ų86.239%0.38848%0.478SS..  trans-70.3155.9172.700000111.6V13 D17 D18 L19V13-A15 PolarHBondContact O-N 3.38Å; A15-D17 PolarHBondContact O-N 2.95Å; A15-D18 HydrophobicContact CB-CB 4.5Å; A15-D18 PolarHBondContact O-N 3.3Å; A15-D18 VanDerWaalsContact O-N 3.11Å; A15-L19 WeakPolarHBondContact O-CG 3.42Å; A15-L19 PolarHBondContact O-N 3.49Å
16Q86Confident74.1Confident104 Ų10477.4 Ų77.449%0.48644%0.435SS..Hα-helixtrans-56.9-38.6176.6-174.7177.7-8.600112.2L19 L20 I88Q16-L19 PolarHBondContact O-N 2.98Å; Q16-L20 WeakPolarHBondContact O-CG 3.44Å; Q16-L20 PolarHBondContact O-N 2.88Å; Q16-I88 HydrophobicContact CG-CG2 3.84Å; Q16-I88 PolarHBondContact NE2-O 3.04Å
17D87Confident76.4Confident125 Ų12572 Ų7267%0.66841%0.408SS*.Hα-helixtrans-70.3-34.5177.6-67.3-37.6000112.7A15 L20 K21A15-D17 PolarHBondContact O-N 2.95Å; D17-L20 PolarHBondContact O-N 3.47Å; D17-K21 VanDerWaalsContact O-CB 3.23Å; D17-K21 WeakPolarHBondContact O-CB 3.43Å; D17-K21 PolarHBondContact O-N 2.89Å
18D90.6Very high78.7Confident30 Ų3073.4 Ų73.416%0.1641%0.406CS..Hα-helixtrans-68-38.5172.8-72.2-44.6000111.2W14 A15 L20 K21 L22 F52 N53 Y55W14-D18 HydrophobicContact CE3-CB 4.02Å; W14-D18 HydrophobicContact CZ3-CB 4.46Å; A15-D18 HydrophobicContact CB-CB 4.5Å; A15-D18 PolarHBondContact O-N 3.3Å; A15-D18 VanDerWaalsContact O-N 3.11Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 PolarHBondContact O-N 3.5Å; D18-K21 PolarHBondContact O-N 3.43Å; D18-L22 WeakPolarHBondContact O-CB 3.46Å; D18-L22 PolarHBondContact O-N 3.39Å; D18-F52 HydrophobicContact CB-CE2 4.19Å; D18-F52 HydrophobicContact CB-CZ 4.13Å; D18-F52 VanDerWaalsContact O-CZ 3.24Å; D18-F52 WeakPolarHBondContact O-CZ 3.47Å; D18-N53 PolarHBondContact OD1-ND2 3.37Å; D18-Y55 HydrophobicContact CB-CE2 3.82Å; D18-Y55 VanDerWaalsContact CG-CE2 3.47Å; D18-Y55 PolarHBondContact OD2-OH 3.26Å
19L89.3Confident81.1Confident25 Ų2569.6 Ų69.613%0.13139%0.387CS..Hα-helixtrans-64.2-37.2173.4-67.7171.6000112.2W14 A15 Q16 L23 K63 V67 I88W14-L19 HydrophobicContact CB-CD2 4Å; W14-L19 HydrophobicContact CB-CG 4.09Å; W14-L19 HydrophobicContact CD2-CD2 4.14Å; W14-L19 HydrophobicContact CE3-CD2 3.72Å; W14-L19 HydrophobicContact CE3-CG 4.25Å; W14-L19 HydrophobicContact CG-CD2 4.3Å; A15-L19 WeakPolarHBondContact O-CG 3.42Å; A15-L19 PolarHBondContact O-N 3.49Å; Q16-L19 PolarHBondContact O-N 2.98Å; L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-K63 HydrophobicContact CD2-CD 4.27Å; L19-K63 HydrophobicContact CD2-CG 3.53Å; L19-V67 HydrophobicContact CD2-CG2 4.43Å; L19-I88 HydrophobicContact CB-CD1 3.89Å; L19-I88 HydrophobicContact CB-CG1 4.31Å; L19-I88 HydrophobicContact CB-CG2 3.99Å; L19-I88 HydrophobicContact CD1-CG1 4.42Å
20L90.5Very high83.2Confident22 Ų2265.4 Ų65.412%0.11535%0.351CS..Hα-helixtrans-71.5-38.5173.5-69.2174.8000112.1Q16 D17 D18 L23 D24 Q85 I88 K89Q16-L20 WeakPolarHBondContact O-CG 3.44Å; Q16-L20 PolarHBondContact O-N 2.88Å; D17-L20 PolarHBondContact O-N 3.47Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 PolarHBondContact O-N 3.5Å; L20-L23 PolarHBondContact O-N 3.44Å; L20-D24 PolarHBondContact O-N 3.47Å; L20-Q85 HydrophobicContact CD2-CB 4.26Å; L20-Q85 HydrophobicContact CD2-CG 4.1Å; L20-I88 HydrophobicContact CD2-CB 4.34Å; L20-I88 HydrophobicContact CD2-CG2 3.87Å; L20-I88 HydrophobicContact CG-CG2 3.91Å; L20-K89 HydrophobicContact CD1-CD 4.46Å; L20-K89 VanDerWaalsContact CD1-CE 3.41Å; L20-K89 HydrophobicContact CD1-CG 4.14Å; L20-K89 HydrophobicContact CD2-CD 4.41Å; L20-K89 HydrophobicContact CD2-CG 4.21Å
21K91.6Very high85.1Confident90 Ų9062.1 Ų62.139%0.39134%0.343SS..Hα-helixtrans-64.8-40.3176.1-173.6170.3176.9-177.80111.9D17 D18 L23 D24 S25 F52 N53D17-K21 VanDerWaalsContact O-CB 3.23Å; D17-K21 WeakPolarHBondContact O-CB 3.43Å; D17-K21 PolarHBondContact O-N 2.89Å; D18-K21 PolarHBondContact O-N 3.43Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.2Å; K21-D24 PolarHBondContact O-N 3.13Å; K21-S25 WeakPolarHBondContact O-CB 3.34Å; K21-S25 PolarHBondContact O-N 3.13Å; K21-S25 PolarHBondContact O-OG 3.13Å; K21-F52 HydrophobicContact CB-CD2 4.44Å; K21-F52 HydrophobicContact CB-CE2 3.98Å; K21-F52 HydrophobicContact CB-CZ 4.21Å; K21-F52 HydrophobicContact CD-CD2 3.47Å; K21-F52 VanDerWaalsContact CD-CD2 3.47Å; K21-F52 HydrophobicContact CD-CE2 3.65Å; K21-F52 HydrophobicContact CD-CG 4.32Å; K21-F52 VanDerWaalsContact CE-CD2 3.5Å; K21-F52 HydrophobicContact CG-CD2 3.76Å; K21-F52 HydrophobicContact CG-CE2 3.8Å; K21-F52 HydrophobicContact CG-CG 4.26Å; K21-F52 HydrophobicContact CG-CZ 4.33Å; K21-N53 PolarHBondContact NZ-OD1 3.37Å
22L92.8Very high86.1Confident2 Ų263.8 Ų63.81%0.0135%0.346CS..Hα-helixtrans-52.6-51.1168.7171.859.7000111W14 D18 S25 M26 V50 F52 C60 K63W14-L22 HydrophobicContact CH2-CD2 4.1Å; W14-L22 HydrophobicContact CZ3-CB 4.04Å; W14-L22 HydrophobicContact CZ3-CD2 3.92Å; W14-L22 HydrophobicContact CZ3-CG 4.49Å; D18-L22 WeakPolarHBondContact O-CB 3.46Å; D18-L22 PolarHBondContact O-N 3.39Å; L22-S25 WeakPolarHBondContact O-CB 3.42Å; L22-S25 PolarHBondContact O-N 3.47Å; L22-M26 HydrophobicContact CD1-CG 4.24Å; L22-M26 HydrophobicContact CD1-SD 4.38Å; L22-M26 HydrophobicContact CG-SD 4.39Å; L22-M26 WeakPolarHBondContact O-CG 3.3Å; L22-M26 PolarHBondContact O-N 3.3Å; L22-V50 HydrophobicContact CD1-CG1 3.57Å; L22-F52 HydrophobicContact CB-CE1 3.82Å; L22-F52 HydrophobicContact CB-CZ 4.25Å; L22-F52 HydrophobicContact CD1-CE1 4.38Å; L22-C60 HydrophobicContact CD1-CB 3.58Å; L22-K63 HydrophobicContact CD2-CB 4.11Å; L22-K63 HydrophobicContact CD2-CG 4.49Å
23L92Very high86.7Confident2 Ų266.8 Ų66.81%0.0136%0.357CS..Hα-helixtrans-68-38-176.4-71178.7000113.5L19 L20 K21 M26 K27 W64 I81 A84 Q85 I88L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 3.39Å; L20-L23 PolarHBondContact O-N 3.44Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.2Å; L23-M26 HydrophobicContact CD2-SD 4.14Å; L23-K27 VanDerWaalsContact O-CB 3.24Å; L23-K27 WeakPolarHBondContact O-CB 3.27Å; L23-K27 PolarHBondContact O-N 3.32Å; L23-K27 VanDerWaalsContact O-N 3.09Å; L23-W64 HydrophobicContact CD2-CE3 3.58Å; L23-W64 HydrophobicContact CD2-CZ3 3.47Å; L23-W64 VanDerWaalsContact CD2-CZ3 3.47Å; L23-I81 HydrophobicContact CB-CG2 4.11Å; L23-I81 HydrophobicContact CD2-CG1 4.3Å; L23-I81 HydrophobicContact CD2-CG2 4.35Å; L23-A84 HydrophobicContact CD1-CB 3.58Å; L23-A84 HydrophobicContact CD2-CB 3.92Å; L23-A84 HydrophobicContact CG-CB 4.45Å; L23-Q85 HydrophobicContact CB-CG 3.83Å; L23-Q85 HydrophobicContact CD1-CB 4.38Å; L23-Q85 HydrophobicContact CD1-CG 3.62Å; L23-Q85 HydrophobicContact CG-CG 4.39Å; L23-I88 HydrophobicContact CD1-CD1 3.53Å; L23-I88 HydrophobicContact CG-CD1 4.49Å
24D91.1Very high86.9Confident72 Ų7261.1 Ų61.139%0.38532%0.322SS..Hα-helixtrans-71.8-32.6172-78.6-40.4000112.1L20 K21 K27 V28 Q85L20-D24 PolarHBondContact O-N 3.47Å; K21-D24 PolarHBondContact O-N 3.13Å; D24-K27 WeakPolarHBondContact O-CB 3.41Å; D24-K27 PolarHBondContact O-N 3.44Å; D24-K27 WeakPolarHBondContact OD1-CD 3.44Å; D24-K27 IonicContact OD1-NZ 3.87Å; D24-K27 PolarHBondContact OD1-NZ 3.43Å; D24-V28 WeakPolarHBondContact O-CG2 3.5Å; D24-V28 PolarHBondContact O-N 3.03Å; D24-Q85 PolarHBondContact OD1-NE2 2.94Å; D24-Q85 PolarHBondContact OD2-NE2 3.36Å
25S89.7Confident86.6Confident27 Ų2766.5 Ų66.519%0.18935%0.353CS..Hα-helixtrans-64-46.2171.2-65.40000112.1K21 L22 K27 V28 A29K21-S25 WeakPolarHBondContact O-CB 3.34Å; K21-S25 PolarHBondContact O-N 3.13Å; K21-S25 PolarHBondContact O-OG 3.13Å; L22-S25 WeakPolarHBondContact O-CB 3.42Å; L22-S25 PolarHBondContact O-N 3.47Å; S25-K27 VanDerWaalsContact C-N 3.27Å; S25-K27 PolarHBondContact O-N 3.38Å; S25-V28 PolarHBondContact O-N 3.49Å; S25-A29 WeakPolarHBondContact O-CB 3.44Å; S25-A29 PolarHBondContact O-N 3.3Å
26M90.8Very high86.3Confident0 Ų067.6 Ų67.60%036%0.355CS..Hα-helixtrans-55.6-42.3172.3-71.2-178.169.300112.1L22 L23 A29 L30 L45 W47 V50 W64 L77 I81L22-M26 HydrophobicContact CD1-CG 4.24Å; L22-M26 HydrophobicContact CD1-SD 4.38Å; L22-M26 HydrophobicContact CG-SD 4.39Å; L22-M26 WeakPolarHBondContact O-CG 3.3Å; L22-M26 PolarHBondContact O-N 3.3Å; L23-M26 HydrophobicContact CD2-SD 4.14Å; M26-A29 PolarHBondContact O-N 3.23Å; M26-L30 VanDerWaalsContact O-CG 3.32Å; M26-L30 WeakPolarHBondContact O-CG 3.26Å; M26-L30 PolarHBondContact O-N 3.4Å; M26-L30 VanDerWaalsContact O-N 3.07Å; M26-L45 HydrophobicContact CB-CD2 4.22Å; M26-L45 HydrophobicContact CE-CD2 3.51Å; M26-L45 HydrophobicContact CG-CD2 3.98Å; M26-W47 HydrophobicContact CE-CH2 3.63Å; M26-W47 HydrophobicContact CE-CZ2 4.44Å; M26-W47 HydrophobicContact CE-CZ3 4.21Å; M26-W47 HydrophobicContact CG-CZ3 4.24Å; M26-W47 HydrophobicContact SD-CH2 4.07Å; M26-W47 HydrophobicContact SD-CZ3 4.1Å; M26-V50 HydrophobicContact CG-CG1 3.59Å; M26-V50 HydrophobicContact CG-CG2 4.15Å; M26-W64 HydrophobicContact CE-CB 4.34Å; M26-W64 HydrophobicContact CE-CD2 3.45Å; M26-W64 VanDerWaalsContact CE-CD2 3.45Å; M26-W64 HydrophobicContact CE-CE3 3.75Å; M26-W64 HydrophobicContact CE-CG 3.67Å; M26-W64 HydrophobicContact CE-CZ2 4.39Å; M26-W64 HydrophobicContact CE-CZ3 4.31Å; M26-W64 HydrophobicContact SD-CB 3.98Å; M26-W64 HydrophobicContact SD-CD2 3.74Å; M26-W64 HydrophobicContact SD-CE3 3.59Å; M26-W64 VanDerWaalsContact SD-CE3 3.59Å; M26-W64 HydrophobicContact SD-CG 3.88Å; M26-W64 HydrophobicContact SD-CZ3 4.37Å; M26-L77 HydrophobicContact CE-CD1 4.41Å; M26-L77 HydrophobicContact CE-CD2 4.37Å; M26-I81 HydrophobicContact CB-CD1 3.78Å; M26-I81 HydrophobicContact CE-CD1 4.3Å; M26-I81 HydrophobicContact CE-CG1 4.48Å
27K89.1Confident86.2Confident68 Ų6870.8 Ų70.830%0.29637%0.367SS..Hα-helixtrans-70.8-28.1179.8-179.2176.4163.8-163.70113.6L23 D24 S25 I81L23-K27 VanDerWaalsContact O-CB 3.24Å; L23-K27 WeakPolarHBondContact O-CB 3.27Å; L23-K27 PolarHBondContact O-N 3.32Å; L23-K27 VanDerWaalsContact O-N 3.09Å; D24-K27 WeakPolarHBondContact O-CB 3.41Å; D24-K27 PolarHBondContact O-N 3.44Å; D24-K27 WeakPolarHBondContact OD1-CD 3.44Å; D24-K27 IonicContact OD1-NZ 3.87Å; D24-K27 PolarHBondContact OD1-NZ 3.43Å; S25-K27 VanDerWaalsContact C-N 3.27Å; S25-K27 PolarHBondContact O-N 3.38Å; K27-I81 HydrophobicContact CB-CD1 4.45Å; K27-I81 HydrophobicContact CB-CG2 4.28Å; K27-I81 HydrophobicContact CD-CG2 4.25Å
28V89.2Confident86.2Confident126 Ų12666.4 Ų66.476%0.76434%0.341SS*.Hα-helixtrans-77.3-36.4171168.50000111.4D24 S25 L30D24-V28 WeakPolarHBondContact O-CG2 3.5Å; D24-V28 PolarHBondContact O-N 3.03Å; S25-V28 PolarHBondContact O-N 3.49Å; V28-L30 PolarHBondContact O-N 3.06Å
29A87.3Confident86Confident37 Ų3771.5 Ų71.531%0.30636%0.362SS..Hα-helixtrans-70.7-16.6174.200000113.4S25 M26 L45 V50S25-A29 WeakPolarHBondContact O-CB 3.44Å; S25-A29 PolarHBondContact O-N 3.3Å; M26-A29 PolarHBondContact O-N 3.23Å; A29-L45 HydrophobicContact CB-CD1 3.73Å; A29-V50 HydrophobicContact CB-CG2 3.75Å
30L85.5Confident85.8Confident15 Ų1573.2 Ų73.28%0.07937%0.374CS..SBendtrans-84.4149.2178.2-81169.2000114.2M26 V28 Q32 L45 L77 I81M26-L30 VanDerWaalsContact O-CG 3.32Å; M26-L30 WeakPolarHBondContact O-CG 3.26Å; M26-L30 PolarHBondContact O-N 3.4Å; M26-L30 VanDerWaalsContact O-N 3.07Å; V28-L30 PolarHBondContact O-N 3.06Å; L30-Q32 PolarHBondContact O-N 2.81Å; L30-L45 HydrophobicContact CD2-CD1 4.04Å; L30-L45 HydrophobicContact CG-CD1 3.93Å; L30-L77 HydrophobicContact CD1-CB 4.23Å; L30-L77 HydrophobicContact CD1-CD2 3.95Å; L30-L77 HydrophobicContact CD1-CG 3.89Å; L30-L77 HydrophobicContact CD2-CD2 4.16Å; L30-I81 HydrophobicContact CD1-CD1 3.53Å
31P80.6Confident85.6Confident90 Ų9072.6 Ų72.658%0.58437%0.371SS*.  trans-58.3132.6170.4-22.533.4000111.6K33 D34P31-K33 CarbonylContact O-C 3.59Å; P31-K33 PolarHBondContact O-N 2.95Å; P31-D34 PolarHBondContact O-N 3.22Å; P31-D34 VanDerWaalsContact O-N 3.12Å
32Q71.7Confident85.4Confident198 Ų19870 Ų7093%0.92536%0.36SS*.THydrogen-bonded Turntrans-57.7-3.6-176.9-153.5-177.926.700115.7L30L30-Q32 PolarHBondContact O-N 2.81Å
33K76.7Confident85.1Confident153 Ų15374 Ų7467%0.66539%0.388SS*.THydrogen-bonded Turntrans-141.573.8168.7-66.6-176.4178.11570109.3P31 L35P31-K33 CarbonylContact O-C 3.59Å; P31-K33 PolarHBondContact O-N 2.95Å; K33-L35 PolarHBondContact O-N 3.32Å
34D80.9Confident84.8Confident16 Ų1681.1 Ų81.19%0.08642%0.421CS..  trans-58.2124.2166.3-173.711.2000109.7P31 T36 S41 L77 T78P31-D34 PolarHBondContact O-N 3.22Å; P31-D34 VanDerWaalsContact O-N 3.12Å; D34-T36 PolarHBondContact OD1-N 2.95Å; D34-T36 PolarHBondContact OD1-OG1 3.42Å; D34-S41 PolarHBondContact OD1-OG 2.74Å; D34-L77 WeakPolarHBondContact OD2-CA 3.34Å; D34-L77 PolarHBondContact OD2-N 2.85Å; D34-T78 WeakPolarHBondContact CB-OG1 3.37Å; D34-T78 PolarHBondContact OD2-N 3Å; D34-T78 PolarHBondContact OD2-OG1 3.41Å
35L78.5Confident84.6Confident148 Ų14878.2 Ų78.278%0.77541%0.406SS*.  trans-137.78.6-177.6-66.9173.9000111.1K33K33-L35 PolarHBondContact O-N 3.32Å
36T81.8Confident84.6Confident70 Ų7079.7 Ų79.743%0.42941%0.412SS..SBendtrans-100.1159.7-178.620.30000110.3D34 T40 S41D34-T36 PolarHBondContact OD1-N 2.95Å; D34-T36 PolarHBondContact OD1-OG1 3.42Å; T36-T40 HydrophobicContact CG2-CG2 4.18Å; T36-S41 WeakPolarHBondContact CB-OG 3.49Å; T36-S41 PolarHBondContact OG1-OG 2.66Å
37K84.3Confident84.6Confident170 Ų17081.3 Ų81.374%0.73942%0.418SS*.  trans-63140.8171.4-66.2-174.3175.7-171.60108.4K39 T40 S41K37-K39 VanDerWaalsContact C-N 3.3Å; K37-K39 PolarHBondContact O-N 3.33Å; K37-K39 VanDerWaalsContact O-N 3.11Å; K37-T40 WeakPolarHBondContact O-CA 3.38Å; K37-T40 WeakPolarHBondContact O-CB 3.37Å; K37-T40 PolarHBondContact O-N 3.13Å; K37-S41 PolarHBondContact O-N 3.17Å
38Y86.9Confident84.7Confident33 Ų3385 Ų8513%0.12944%0.436CS..Hα-helixtrans-48.9-46.3-172.476.8-85.4000113.7T40 S41 E42 K73 R75 L80Y38-T40 PolarHBondContact O-N 3.2Å; Y38-T40 VanDerWaalsContact O-N 3.08Å; Y38-S41 CarbonylContact O-C 3.58Å; Y38-S41 WeakPolarHBondContact O-CA 3.46Å; Y38-S41 PolarHBondContact O-N 3.26Å; Y38-E42 WeakPolarHBondContact CD2-OE2 3.46Å; Y38-E42 WeakPolarHBondContact O-CB 3.42Å; Y38-E42 PolarHBondContact O-N 3.07Å; Y38-K73 HydrophobicContact CE1-CB 3.91Å; Y38-K73 WeakPolarHBondContact CE1-O 3.43Å; Y38-K73 HydrophobicContact CE2-CD 4.39Å; Y38-R75 PolarHBondContact N-O 2.98Å; Y38-R75 VanDerWaalsContact N-O 3.17Å; Y38-L80 HydrophobicContact CD1-CD2 4.07Å; Y38-L80 HydrophobicContact CD2-CD2 3.75Å; Y38-L80 HydrophobicContact CE2-CD2 4.33Å; Y38-L80 HydrophobicContact CG-CD2 3.61Å
39K85.9Confident84.6Confident138 Ų13886.2 Ų86.260%0.643%0.431SS*.Hα-helixtrans-52.5-34.1177.4-67.4-163175.8-169.40113.8K37 S43K37-K39 VanDerWaalsContact C-N 3.3Å; K37-K39 PolarHBondContact O-N 3.33Å; K37-K39 VanDerWaalsContact O-N 3.11Å; K39-S43 WeakPolarHBondContact O-CB 3.44Å; K39-S43 PolarHBondContact O-N 3.01Å; K39-S43 PolarHBondContact O-OG 2.84Å
40T86Confident84.7Confident61 Ų6184.5 Ų84.537%0.37442%0.417SS..Hα-helixtrans-82.9-25.9178.9-48.50000112.4T36 K37 Y38 S43 H44T36-T40 HydrophobicContact CG2-CG2 4.18Å; K37-T40 WeakPolarHBondContact O-CA 3.38Å; K37-T40 WeakPolarHBondContact O-CB 3.37Å; K37-T40 PolarHBondContact O-N 3.13Å; Y38-T40 PolarHBondContact O-N 3.2Å; Y38-T40 VanDerWaalsContact O-N 3.08Å; T40-S43 PolarHBondContact O-OG 3.08Å; T40-H44 PolarHBondContact O-ND1 3.36Å
41S85.4Confident84.9Confident8 Ų885.4 Ų85.46%0.05643%0.426CS..Hα-helixtrans-81.1-29.4171.5-52.60000111.2D34 T36 K37 Y38 L45D34-S41 PolarHBondContact OD1-OG 2.74Å; T36-S41 WeakPolarHBondContact CB-OG 3.49Å; T36-S41 PolarHBondContact OG1-OG 2.66Å; K37-S41 PolarHBondContact O-N 3.17Å; Y38-S41 CarbonylContact O-C 3.58Å; Y38-S41 WeakPolarHBondContact O-CA 3.46Å; Y38-S41 PolarHBondContact O-N 3.26Å; S41-L45 PolarHBondContact O-N 2.91Å
42E87.4Confident85.3Confident36 Ų3682 Ų8217%0.16840%0.403CS..Hα-helixtrans-73.8-42177.3-179174.2-138.400112.2Y38 H44 L45 W64 L77Y38-E42 WeakPolarHBondContact CD2-OE2 3.46Å; Y38-E42 WeakPolarHBondContact O-CB 3.42Å; Y38-E42 PolarHBondContact O-N 3.07Å; E42-H44 VanDerWaalsContact C-N 3.26Å; E42-H44 PolarHBondContact O-N 2.87Å; E42-L45 WeakPolarHBondContact O-CB 3.44Å; E42-L45 PolarHBondContact O-N 2.97Å; E42-W64 PolarHBondContact OE1-NE1 3.18Å; E42-L77 HydrophobicContact CB-CD2 4.02Å
43S86.4Confident85.9Confident85 Ų8577.7 Ų77.759%0.59439%0.386SS*.THydrogen-bonded Turntrans-69.3-20.4177.668.90000114.4K39 T40K39-S43 WeakPolarHBondContact O-CB 3.44Å; K39-S43 PolarHBondContact O-N 3.01Å; K39-S43 PolarHBondContact O-OG 2.84Å; T40-S43 PolarHBondContact O-OG 3.08Å
44H85.1Confident86.4Confident152 Ų15274 Ų7470%0.70438%0.379SS*.THydrogen-bonded Turntrans-108.915.1175.8-55.8106.4000112T40 E42T40-H44 PolarHBondContact O-ND1 3.36Å; E42-H44 VanDerWaalsContact C-N 3.26Å; E42-H44 PolarHBondContact O-N 2.87Å
45L88.1Confident86.8Confident11 Ų1173.9 Ų73.96%0.05838%0.378CS..  trans-79.9122.7175.5-168.363.2000109.4M26 A29 L30 S41 E42 W47 V50 L77M26-L45 HydrophobicContact CB-CD2 4.22Å; M26-L45 HydrophobicContact CE-CD2 3.51Å; M26-L45 HydrophobicContact CG-CD2 3.98Å; A29-L45 HydrophobicContact CB-CD1 3.73Å; L30-L45 HydrophobicContact CD2-CD1 4.04Å; L30-L45 HydrophobicContact CG-CD1 3.93Å; S41-L45 PolarHBondContact O-N 2.91Å; E42-L45 WeakPolarHBondContact O-CB 3.44Å; E42-L45 PolarHBondContact O-N 2.97Å; L45-W47 HydrophobicContact CB-CZ2 4.5Å; L45-W47 HydrophobicContact CD2-CD2 4.43Å; L45-W47 HydrophobicContact CD2-CE3 4.47Å; L45-W47 HydrophobicContact CD2-CH2 3.84Å; L45-W47 HydrophobicContact CD2-CZ2 3.78Å; L45-W47 HydrophobicContact CD2-CZ3 4.19Å; L45-W47 PolarHBondContact O-N 3.35Å; L45-W47 PolarHBondContact O-NE1 2.87Å; L45-V50 HydrophobicContact CD1-CG2 4.34Å; L45-V50 HydrophobicContact CD2-CG2 4.11Å; L45-V50 HydrophobicContact CG-CG2 4.06Å; L45-L77 HydrophobicContact CD2-CD2 4.45Å
46D89.4Confident87.5Confident59 Ų5970.6 Ų70.632%0.31636%0.364SS..  trans-7596.6175.4-177.4-27.3000109.8Q48 K49 V50D46-Q48 PolarHBondContact O-N 2.65Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.3Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.24Å; D46-Q48 PolarHBondContact OD1-N 2.71Å; D46-K49 HydrophobicContact CB-CB 4.18Å; D46-K49 HydrophobicContact CB-CD 4.21Å; D46-K49 HydrophobicContact CB-CG 4.33Å; D46-K49 PolarHBondContact O-N 3.3Å; D46-K49 VanDerWaalsContact O-N 3.13Å; D46-K49 PolarHBondContact OD1-N 3.2Å; D46-K49 VanDerWaalsContact OD2-CD 3.26Å; D46-K49 WeakPolarHBondContact OD2-CD 3.17Å; D46-K49 WeakPolarHBondContact OD2-CE 3.36Å; D46-K49 WeakPolarHBondContact OD2-CG 2.97Å; D46-K49 IonicContact OD2-NZ 2.89Å; D46-K49 PolarHBondContact OD2-NZ 2.94Å; D46-V50 WeakPolarHBondContact O-CG2 3.19Å; D46-V50 PolarHBondContact O-N 2.57Å
47W91.3Very high87.8Confident34 Ų3467.7 Ų67.713%0.12935%0.347CS..SBendtrans-68-20.2-178.1-66.496.3000113.6M26 L45 V50 A51 A57 C60 K61 W64M26-W47 HydrophobicContact CE-CH2 3.63Å; M26-W47 HydrophobicContact CE-CZ2 4.44Å; M26-W47 HydrophobicContact CE-CZ3 4.21Å; M26-W47 HydrophobicContact CG-CZ3 4.24Å; M26-W47 HydrophobicContact SD-CH2 4.07Å; M26-W47 HydrophobicContact SD-CZ3 4.1Å; L45-W47 HydrophobicContact CB-CZ2 4.5Å; L45-W47 HydrophobicContact CD2-CD2 4.43Å; L45-W47 HydrophobicContact CD2-CE3 4.47Å; L45-W47 HydrophobicContact CD2-CH2 3.84Å; L45-W47 HydrophobicContact CD2-CZ2 3.78Å; L45-W47 HydrophobicContact CD2-CZ3 4.19Å; L45-W47 PolarHBondContact O-N 3.35Å; L45-W47 PolarHBondContact O-NE1 2.87Å; W47-V50 HydrophobicContact CE3-CB 4.14Å; W47-V50 HydrophobicContact CE3-CG1 3.96Å; W47-V50 HydrophobicContact CE3-CG2 4.47Å; W47-V50 HydrophobicContact CZ3-CG1 4.08Å; W47-V50 PolarHBondContact O-N 2.89Å; W47-A51 PolarHBondContact O-N 3.41Å; W47-A57 HydrophobicContact CB-CB 3.85Å; W47-A57 WeakPolarHBondContact O-CA 3.41Å; W47-A57 WeakPolarHBondContact O-CB 3.31Å; W47-C60 HydrophobicContact CE3-CB 4.22Å; W47-C60 HydrophobicContact CZ3-CB 4.5Å; W47-K61 HydrophobicContact CD2-CB 3.7Å; W47-K61 HydrophobicContact CD2-CD 4.26Å; W47-K61 HydrophobicContact CD2-CG 4.21Å; W47-K61 HydrophobicContact CE3-CB 3.79Å; W47-K61 HydrophobicContact CG-CB 4.16Å; W47-K61 HydrophobicContact CG-CD 4.11Å; W47-K61 HydrophobicContact CH2-CB 4.42Å; W47-K61 HydrophobicContact CZ2-CB 4.34Å; W47-K61 HydrophobicContact CZ2-CG 4.31Å; W47-K61 HydrophobicContact CZ3-CB 4.16Å; W47-W64 HydrophobicContact CH2-CB 3.64Å; W47-W64 AromaticContact CH2-CD1 3.6Å; W47-W64 AromaticContact CH2-CG 3.7Å; W47-W64 HydrophobicContact CH2-CG 3.7Å; W47-W64 HydrophobicContact CZ3-CB 4.01Å; W47-W64 HydrophobicContact CZ3-CG 4.5Å
48Q89.4Confident88.1Confident144 Ų14464.5 Ų64.567%0.67334%0.335SS*.THydrogen-bonded Turntrans-71.6-34.4172.3-58.2-65.7-3.800110.9D46 V50 A57D46-Q48 PolarHBondContact O-N 2.65Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.3Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.24Å; D46-Q48 PolarHBondContact OD1-N 2.71Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 2.82Å; Q48-A57 HydrophobicContact CG-CB 4.35Å
49K88.3Confident88.3Confident153 Ų15365.4 Ų65.467%0.66534%0.341SS*.THydrogen-bonded Turntrans-76.4-9.8170.2-68178.7-179.463.40113.9D46D46-K49 HydrophobicContact CB-CB 4.18Å; D46-K49 HydrophobicContact CB-CD 4.21Å; D46-K49 HydrophobicContact CB-CG 4.33Å; D46-K49 PolarHBondContact O-N 3.3Å; D46-K49 VanDerWaalsContact O-N 3.13Å; D46-K49 PolarHBondContact OD1-N 3.2Å; D46-K49 VanDerWaalsContact OD2-CD 3.26Å; D46-K49 WeakPolarHBondContact OD2-CD 3.17Å; D46-K49 WeakPolarHBondContact OD2-CE 3.36Å; D46-K49 WeakPolarHBondContact OD2-CG 2.97Å; D46-K49 IonicContact OD2-NZ 2.89Å; D46-K49 PolarHBondContact OD2-NZ 2.94Å
50V88.4Confident88.5Confident0 Ų058.9 Ų58.90%031%0.312CS..THydrogen-bonded Turntrans-94.8-25.9173.5175.80000112.3L22 M26 A29 L45 D46 W47 Q48 F52 C60L22-V50 HydrophobicContact CD1-CG1 3.57Å; M26-V50 HydrophobicContact CG-CG1 3.59Å; M26-V50 HydrophobicContact CG-CG2 4.15Å; A29-V50 HydrophobicContact CB-CG2 3.75Å; L45-V50 HydrophobicContact CD1-CG2 4.34Å; L45-V50 HydrophobicContact CD2-CG2 4.11Å; L45-V50 HydrophobicContact CG-CG2 4.06Å; D46-V50 WeakPolarHBondContact O-CG2 3.19Å; D46-V50 PolarHBondContact O-N 2.57Å; W47-V50 HydrophobicContact CE3-CB 4.14Å; W47-V50 HydrophobicContact CE3-CG1 3.96Å; W47-V50 HydrophobicContact CE3-CG2 4.47Å; W47-V50 HydrophobicContact CZ3-CG1 4.08Å; W47-V50 PolarHBondContact O-N 2.89Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 2.82Å; V50-F52 WeakPolarHBondContact O-CD1 3.49Å; V50-C60 HydrophobicContact CG1-CB 4.16Å
51A89.3Confident88.8Confident34 Ų3458.9 Ų58.928%0.28131%0.307SS..  trans-56.3141.7176.700000112.5W47 A57W47-A51 PolarHBondContact O-N 3.41Å; A51-A57 HydrophobicContact CB-CB 4.5Å
52F90.1Very high89.1Confident20 Ų2064.6 Ų64.69%0.08833%0.333CS..BIsolated β-bridgetrans-159.6159.1-176.171.8-82.2000112.2W14 D18 K21 L22 V50 S54 Y55W14-F52 HydrophobicContact CH2-CE1 4.22Å; W14-F52 HydrophobicContact CH2-CZ 4.31Å; W14-F52 HydrophobicContact CZ3-CE1 4.04Å; W14-F52 AromaticContact CZ3-CZ 3.78Å; W14-F52 HydrophobicContact CZ3-CZ 3.78Å; D18-F52 HydrophobicContact CB-CE2 4.19Å; D18-F52 HydrophobicContact CB-CZ 4.13Å; D18-F52 VanDerWaalsContact O-CZ 3.24Å; D18-F52 WeakPolarHBondContact O-CZ 3.47Å; K21-F52 HydrophobicContact CB-CD2 4.44Å; K21-F52 HydrophobicContact CB-CE2 3.98Å; K21-F52 HydrophobicContact CB-CZ 4.21Å; K21-F52 HydrophobicContact CD-CD2 3.47Å; K21-F52 VanDerWaalsContact CD-CD2 3.47Å; K21-F52 HydrophobicContact CD-CE2 3.65Å; K21-F52 HydrophobicContact CD-CG 4.32Å; K21-F52 VanDerWaalsContact CE-CD2 3.5Å; K21-F52 HydrophobicContact CG-CD2 3.76Å; K21-F52 HydrophobicContact CG-CE2 3.8Å; K21-F52 HydrophobicContact CG-CG 4.26Å; K21-F52 HydrophobicContact CG-CZ 4.33Å; L22-F52 HydrophobicContact CB-CE1 3.82Å; L22-F52 HydrophobicContact CB-CZ 4.25Å; L22-F52 HydrophobicContact CD1-CE1 4.38Å; V50-F52 WeakPolarHBondContact O-CD1 3.49Å; F52-S54 PolarHBondContact O-N 2.87Å; F52-Y55 HydrophobicContact CD2-CD2 4.24Å; F52-Y55 HydrophobicContact CE1-CD2 4.23Å; F52-Y55 AromaticContact CE2-CD2 3.64Å; F52-Y55 HydrophobicContact CE2-CD2 3.64Å; F52-Y55 AromaticContact CE2-CE2 3.95Å; F52-Y55 HydrophobicContact CE2-CE2 3.95Å; F52-Y55 AromaticContact CZ-CD2 3.63Å; F52-Y55 HydrophobicContact CZ-CD2 3.63Å; F52-Y55 HydrophobicContact CZ-CE2 4.08Å; F52-Y55 PolarHBondContact N-O 2.89Å; F52-Y55 WeakPolarHBondContact O-CB 3.44Å; F52-Y55 PolarHBondContact O-N 3.39Å
53N84.1Confident89.4Confident107 Ų10764.7 Ų64.757%0.57233%0.333SS*.THydrogen-bonded Turntrans52.4-122.6-174.2-60-8.3000110.3D18 K21 Y55D18-N53 PolarHBondContact OD1-ND2 3.37Å; K21-N53 PolarHBondContact NZ-OD1 3.37Å; N53-Y55 HydrophobicContact CB-CD2 4.23Å; N53-Y55 HydrophobicContact CB-CE2 4.49Å
54S86.9Confident89.6Confident76 Ų7660.7 Ų60.753%0.53131%0.305SS..THydrogen-bonded Turntrans-99.63.717355.70000113.5F52F52-S54 PolarHBondContact O-N 2.87Å
55Y90.4Very high89.9Confident12 Ų1258 Ų585%0.04729%0.293CS..BIsolated β-bridgetrans-87.4119.5-178-55.8-72.2000110.4W14 D18 F52 N53 M59W14-Y55 HydrophobicContact CD2-CD1 4.24Å; W14-Y55 AromaticContact CD2-CE1 3.87Å; W14-Y55 HydrophobicContact CD2-CE1 3.87Å; W14-Y55 AromaticContact CE2-CD1 3.6Å; W14-Y55 AromaticContact CE2-CE1 3.62Å; W14-Y55 HydrophobicContact CE3-CE1 4.36Å; W14-Y55 HydrophobicContact CG-CE1 4.26Å; W14-Y55 AromaticContact CH2-CD1 3.9Å; W14-Y55 HydrophobicContact CH2-CD1 3.9Å; W14-Y55 HydrophobicContact CH2-CD2 4.18Å; W14-Y55 HydrophobicContact CH2-CE1 4.43Å; W14-Y55 AromaticContact CH2-CG 3.74Å; W14-Y55 HydrophobicContact CH2-CG 3.74Å; W14-Y55 AromaticContact CZ2-CD1 3.43Å; W14-Y55 HydrophobicContact CZ2-CD1 3.43Å; W14-Y55 VanDerWaalsContact CZ2-CD1 3.43Å; W14-Y55 AromaticContact CZ2-CE1 3.95Å; W14-Y55 HydrophobicContact CZ2-CE1 3.95Å; W14-Y55 AromaticContact CZ2-CG 3.76Å; W14-Y55 HydrophobicContact CZ2-CG 3.76Å; W14-Y55 HydrophobicContact CZ3-CD1 4.46Å; W14-Y55 HydrophobicContact CZ3-CD2 4.3Å; W14-Y55 HydrophobicContact CZ3-CE2 4.47Å; W14-Y55 HydrophobicContact CZ3-CG 4.28Å; W14-Y55 AromaticContact NE1-CD1 3.99Å; W14-Y55 AromaticContact NE1-CE1 3.8Å; D18-Y55 HydrophobicContact CB-CE2 3.82Å; D18-Y55 VanDerWaalsContact CG-CE2 3.47Å; D18-Y55 PolarHBondContact OD2-OH 3.26Å; F52-Y55 HydrophobicContact CD2-CD2 4.24Å; F52-Y55 HydrophobicContact CE1-CD2 4.23Å; F52-Y55 AromaticContact CE2-CD2 3.64Å; F52-Y55 HydrophobicContact CE2-CD2 3.64Å; F52-Y55 AromaticContact CE2-CE2 3.95Å; F52-Y55 HydrophobicContact CE2-CE2 3.95Å; F52-Y55 AromaticContact CZ-CD2 3.63Å; F52-Y55 HydrophobicContact CZ-CD2 3.63Å; F52-Y55 HydrophobicContact CZ-CE2 4.08Å; F52-Y55 PolarHBondContact N-O 2.89Å; F52-Y55 WeakPolarHBondContact O-CB 3.44Å; F52-Y55 PolarHBondContact O-N 3.39Å; N53-Y55 HydrophobicContact CB-CD2 4.23Å; N53-Y55 HydrophobicContact CB-CE2 4.49Å; Y55-M59 HydrophobicContact CD1-CE 4.03Å
56T91.8Very high90Very high79 Ų7962 Ų6249%0.48531%0.311SS..  trans-73.8163178.270.20000111.6E58 M59 C60T56-E58 PolarHBondContact O-N 3.49Å; T56-M59 HydrophobicContact CG2-SD 4.3Å; T56-M59 PolarHBondContact O-N 2.95Å; T56-M59 VanDerWaalsContact O-N 3.08Å; T56-M59 WeakPolarHBondContact OG1-CG 3.43Å; T56-M59 PolarHBondContact OG1-N 2.99Å; T56-C60 PolarHBondContact O-N 3.08Å; T56-C60 PolarHBondContact O-SG 3.45Å; T56-C60 VanDerWaalsContact O-SG 3.41Å
57A89.8Confident90Very high9 Ų959.7 Ų59.77%0.07430%0.299CS..Hα-helixtrans-49.6-41.4176.400000113.3W47 Q48 A51 C60 K61W47-A57 HydrophobicContact CB-CB 3.85Å; W47-A57 WeakPolarHBondContact O-CA 3.41Å; W47-A57 WeakPolarHBondContact O-CB 3.31Å; Q48-A57 HydrophobicContact CG-CB 4.35Å; A51-A57 HydrophobicContact CB-CB 4.5Å; A57-C60 PolarHBondContact O-N 3.44Å; A57-K61 VanDerWaalsContact O-CB 3.3Å; A57-K61 WeakPolarHBondContact O-CB 3.38Å; A57-K61 PolarHBondContact O-N 2.93Å
58E89.8Confident89.9Confident103 Ų10358.2 Ų58.248%0.48129%0.293SS..Hα-helixtrans-74.4-36.7-179.5-163.357.7-144.300112.3T56 C60 K61 Q62T56-E58 PolarHBondContact O-N 3.49Å; E58-C60 VanDerWaalsContact C-N 3.35Å; E58-C60 PolarHBondContact O-N 2.7Å; E58-K61 PolarHBondContact O-N 3.09Å; E58-K61 IonicContact OE1-NZ 2.73Å; E58-K61 PolarHBondContact OE1-NZ 2.94Å; E58-K61 IonicContact OE2-NZ 3.16Å; E58-K61 PolarHBondContact OE2-NZ 2.87Å; E58-Q62 WeakPolarHBondContact O-CB 3.36Å; E58-Q62 PolarHBondContact O-N 3.24Å
59M90.3Very high89.8Confident53 Ų5358.5 Ų58.526%0.26129%0.293SS..Hα-helixtrans-62.2-43.1172.1-64.4171.885.300111.2W14 Y55 T56 K63W14-M59 HydrophobicContact CZ2-CB 4.22Å; Y55-M59 HydrophobicContact CD1-CE 4.03Å; T56-M59 HydrophobicContact CG2-SD 4.3Å; T56-M59 PolarHBondContact O-N 2.95Å; T56-M59 VanDerWaalsContact O-N 3.08Å; T56-M59 WeakPolarHBondContact OG1-CG 3.43Å; T56-M59 PolarHBondContact OG1-N 2.99Å; M59-K63 WeakPolarHBondContact O-CB 3.41Å; M59-K63 PolarHBondContact O-N 3.05Å
60C91.3Very high89.6Confident0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-60.8-43.4174.7-69.30000112.1L22 W47 V50 T56 A57 E58 W64L22-C60 HydrophobicContact CD1-CB 3.58Å; W47-C60 HydrophobicContact CE3-CB 4.22Å; W47-C60 HydrophobicContact CZ3-CB 4.5Å; V50-C60 HydrophobicContact CG1-CB 4.16Å; T56-C60 PolarHBondContact O-N 3.08Å; T56-C60 PolarHBondContact O-SG 3.45Å; T56-C60 VanDerWaalsContact O-SG 3.41Å; A57-C60 PolarHBondContact O-N 3.44Å; E58-C60 VanDerWaalsContact C-N 3.35Å; E58-C60 PolarHBondContact O-N 2.7Å; C60-W64 WeakPolarHBondContact O-CB 3.49Å; C60-W64 PolarHBondContact O-N 3.09Å
61K91.8Very high89.5Confident61 Ų6156.9 Ų56.927%0.26529%0.288SS..Hα-helixtrans-64.6-47.3177.3174.4164.7157.1-99.80112.3W47 A57 E58 W64 Q65W47-K61 HydrophobicContact CD2-CB 3.7Å; W47-K61 HydrophobicContact CD2-CD 4.26Å; W47-K61 HydrophobicContact CD2-CG 4.21Å; W47-K61 HydrophobicContact CE3-CB 3.79Å; W47-K61 HydrophobicContact CG-CB 4.16Å; W47-K61 HydrophobicContact CG-CD 4.11Å; W47-K61 HydrophobicContact CH2-CB 4.42Å; W47-K61 HydrophobicContact CZ2-CB 4.34Å; W47-K61 HydrophobicContact CZ2-CG 4.31Å; W47-K61 HydrophobicContact CZ3-CB 4.16Å; A57-K61 VanDerWaalsContact O-CB 3.3Å; A57-K61 WeakPolarHBondContact O-CB 3.38Å; A57-K61 PolarHBondContact O-N 2.93Å; E58-K61 PolarHBondContact O-N 3.09Å; E58-K61 IonicContact OE1-NZ 2.73Å; E58-K61 PolarHBondContact OE1-NZ 2.94Å; E58-K61 IonicContact OE2-NZ 3.16Å; E58-K61 PolarHBondContact OE2-NZ 2.87Å; K61-W64 PolarHBondContact O-N 2.8Å; K61-Q65 WeakPolarHBondContact O-CG 3.21Å; K61-Q65 PolarHBondContact O-N 3.41Å
62Q92.6Very high89.1Confident129 Ų12963.5 Ų63.560%0.60331%0.306SS*.Hα-helixtrans-61.4-45.7176-172-176.914.300111.5E58 Q65 E66E58-Q62 WeakPolarHBondContact O-CB 3.36Å; E58-Q62 PolarHBondContact O-N 3.24Å; Q62-Q65 WeakPolarHBondContact O-CB 3.48Å; Q62-Q65 PolarHBondContact O-N 2.86Å; Q62-E66 PolarHBondContact O-N 2.92Å
63K92.3Very high88.6Confident38 Ų3866 Ų6617%0.16532%0.317CS..Hα-helixtrans-69.7-35.2-179.8-156.774.2-168167.30112.6W14 L19 L22 M59 E66 V67W14-K63 HydrophobicContact CB-CD 4.5Å; W14-K63 HydrophobicContact CD2-CB 4.3Å; W14-K63 HydrophobicContact CD2-CD 4.04Å; W14-K63 HydrophobicContact CD2-CG 3.71Å; W14-K63 HydrophobicContact CE3-CG 4.08Å; W14-K63 HydrophobicContact CG-CD 3.84Å; W14-K63 HydrophobicContact CG-CG 4.03Å; W14-K63 HydrophobicContact CH2-CB 4.16Å; W14-K63 HydrophobicContact CH2-CG 4.49Å; W14-K63 HydrophobicContact CZ2-CB 3.79Å; W14-K63 HydrophobicContact CZ2-CG 4.15Å; W14-K63 HydrophobicContact CZ3-CG 4.45Å; L19-K63 HydrophobicContact CD2-CD 4.27Å; L19-K63 HydrophobicContact CD2-CG 3.53Å; L22-K63 HydrophobicContact CD2-CB 4.11Å; L22-K63 HydrophobicContact CD2-CG 4.49Å; M59-K63 WeakPolarHBondContact O-CB 3.41Å; M59-K63 PolarHBondContact O-N 3.05Å; K63-E66 WeakPolarHBondContact CD-OE2 3.48Å; K63-E66 WeakPolarHBondContact CE-OE1 3.44Å; K63-E66 WeakPolarHBondContact CE-OE2 3.12Å; K63-E66 IonicContact NZ-OE1 2.6Å; K63-E66 PolarHBondContact NZ-OE1 2.88Å; K63-E66 IonicContact NZ-OE2 3.74Å; K63-E66 PolarHBondContact NZ-OE2 2.74Å; K63-E66 PolarHBondContact O-N 3.43Å; K63-V67 WeakPolarHBondContact O-CG2 3.33Å; K63-V67 PolarHBondContact O-N 2.86Å
64W92.1Very high87.3Confident1 Ų168.9 Ų68.90%0.00432%0.324CS..Hα-helixtrans-60.2-47.1167.3165.9-105.3000111.7L23 M26 E42 W47 C60 K61 E66 V67 S68 I71 L77 L80 I81 A84L23-W64 HydrophobicContact CD2-CE3 3.58Å; L23-W64 HydrophobicContact CD2-CZ3 3.47Å; L23-W64 VanDerWaalsContact CD2-CZ3 3.47Å; M26-W64 HydrophobicContact CE-CB 4.34Å; M26-W64 HydrophobicContact CE-CD2 3.45Å; M26-W64 VanDerWaalsContact CE-CD2 3.45Å; M26-W64 HydrophobicContact CE-CE3 3.75Å; M26-W64 HydrophobicContact CE-CG 3.67Å; M26-W64 HydrophobicContact CE-CZ2 4.39Å; M26-W64 HydrophobicContact CE-CZ3 4.31Å; M26-W64 HydrophobicContact SD-CB 3.98Å; M26-W64 HydrophobicContact SD-CD2 3.74Å; M26-W64 HydrophobicContact SD-CE3 3.59Å; M26-W64 VanDerWaalsContact SD-CE3 3.59Å; M26-W64 HydrophobicContact SD-CG 3.88Å; M26-W64 HydrophobicContact SD-CZ3 4.37Å; E42-W64 PolarHBondContact OE1-NE1 3.18Å; W47-W64 HydrophobicContact CH2-CB 3.64Å; W47-W64 AromaticContact CH2-CD1 3.6Å; W47-W64 AromaticContact CH2-CG 3.7Å; W47-W64 HydrophobicContact CH2-CG 3.7Å; W47-W64 HydrophobicContact CZ3-CB 4.01Å; W47-W64 HydrophobicContact CZ3-CG 4.5Å; C60-W64 WeakPolarHBondContact O-CB 3.49Å; C60-W64 PolarHBondContact O-N 3.09Å; K61-W64 PolarHBondContact O-N 2.8Å; W64-E66 VanDerWaalsContact C-N 3.28Å; W64-E66 PolarHBondContact O-N 3.39Å; W64-V67 PolarHBondContact O-N 3.22Å; W64-S68 VanDerWaalsContact O-CB 3.28Å; W64-S68 WeakPolarHBondContact O-CB 3.16Å; W64-S68 PolarHBondContact O-N 3.47Å; W64-I71 HydrophobicContact CH2-CD1 4.34Å; W64-L77 HydrophobicContact CH2-CD1 3.81Å; W64-L77 HydrophobicContact CZ2-CD1 3.3Å; W64-L80 HydrophobicContact CH2-CB 4.06Å; W64-L80 HydrophobicContact CZ2-CB 4.48Å; W64-I81 HydrophobicContact CH2-CG1 4.22Å; W64-I81 HydrophobicContact CZ3-CG1 4.14Å; W64-A84 HydrophobicContact CZ3-CB 3.94Å
65Q90.8Very high86.9Confident96 Ų9671.8 Ų71.845%0.44932%0.323SS..Hα-helixtrans-59.2-39.8179.4-76.1-175.58.300112.1K61 Q62 S68 K69K61-Q65 WeakPolarHBondContact O-CG 3.21Å; K61-Q65 PolarHBondContact O-N 3.41Å; Q62-Q65 WeakPolarHBondContact O-CB 3.48Å; Q62-Q65 PolarHBondContact O-N 2.86Å; Q65-S68 PolarHBondContact O-OG 3.13Å; Q65-K69 WeakPolarHBondContact O-CG 3.3Å; Q65-K69 PolarHBondContact O-N 3.4Å
66E90.6Very high86.8Confident95 Ų9572.4 Ų72.444%0.44433%0.328SS..Hα-helixtrans-58.7-58.8172.2-173.8-169.3132.700111.7Q62 K63 W64 S68 K69Q62-E66 PolarHBondContact O-N 2.92Å; K63-E66 WeakPolarHBondContact CD-OE2 3.48Å; K63-E66 WeakPolarHBondContact CE-OE1 3.44Å; K63-E66 WeakPolarHBondContact CE-OE2 3.12Å; K63-E66 IonicContact NZ-OE1 2.6Å; K63-E66 PolarHBondContact NZ-OE1 2.88Å; K63-E66 IonicContact NZ-OE2 3.74Å; K63-E66 PolarHBondContact NZ-OE2 2.74Å; K63-E66 PolarHBondContact O-N 3.43Å; W64-E66 VanDerWaalsContact C-N 3.28Å; W64-E66 PolarHBondContact O-N 3.39Å; E66-S68 PolarHBondContact O-N 3.24Å; E66-K69 WeakPolarHBondContact O-CB 3.4Å; E66-K69 PolarHBondContact O-N 2.86Å
67V89.3Confident86.6Confident10 Ų1068.6 Ų68.66%0.06131%0.305CS..Hα-helixtrans-57.8-35.9179.8173.30000111.7L19 K63 W64 K69 E70 A84 Y87 I88L19-V67 HydrophobicContact CD2-CG2 4.43Å; K63-V67 WeakPolarHBondContact O-CG2 3.33Å; K63-V67 PolarHBondContact O-N 2.86Å; W64-V67 PolarHBondContact O-N 3.22Å; V67-K69 VanDerWaalsContact C-N 3.25Å; V67-K69 PolarHBondContact O-N 2.93Å; V67-E70 PolarHBondContact O-N 3.5Å; V67-A84 HydrophobicContact CG1-CB 3.75Å; V67-Y87 HydrophobicContact CG1-CD1 4.49Å; V67-I88 HydrophobicContact CG1-CD1 3.76Å; V67-I88 HydrophobicContact CG1-CG1 4.44Å; V67-I88 HydrophobicContact CG2-CD1 4.07Å
68S88.6Confident86.5Confident2 Ų269.9 Ų69.91%0.01431%0.312CS..Hα-helixtrans-62.6-28.4179.183.20000113.3W64 Q65 E66 E70 I71 K73W64-S68 VanDerWaalsContact O-CB 3.28Å; W64-S68 WeakPolarHBondContact O-CB 3.16Å; W64-S68 PolarHBondContact O-N 3.47Å; Q65-S68 PolarHBondContact O-OG 3.13Å; E66-S68 PolarHBondContact O-N 3.24Å; S68-E70 PolarHBondContact O-N 3.29Å; S68-I71 WeakPolarHBondContact O-CG1 3.18Å; S68-K73 WeakPolarHBondContact O-CE 3.45Å; S68-K73 WeakPolarHBondContact OG-CE 3.47Å; S68-K73 PolarHBondContact OG-NZ 2.89Å
69K88.1Confident86.3Confident151 Ų15168.4 Ų68.466%0.65731%0.305SS*.Hα-helixtrans-66-27.9180-69.1167.4-175.8178.10111.7Q65 E66 V67Q65-K69 WeakPolarHBondContact O-CG 3.3Å; Q65-K69 PolarHBondContact O-N 3.4Å; E66-K69 WeakPolarHBondContact O-CB 3.4Å; E66-K69 PolarHBondContact O-N 2.86Å; V67-K69 VanDerWaalsContact C-N 3.25Å; V67-K69 PolarHBondContact O-N 2.93Å
70E84.5Confident86.3Confident97 Ų9765.9 Ų65.945%0.45329%0.293SS..THydrogen-bonded Turntrans-88.71.2-172.7-64.1-58.213600114.4V67 S68 Y87 K96V67-E70 PolarHBondContact O-N 3.5Å; S68-E70 PolarHBondContact O-N 3.29Å; E70-Y87 HydrophobicContact CB-CD1 3.89Å; E70-Y87 HydrophobicContact CB-CE1 3.4Å; E70-Y87 VanDerWaalsContact CB-CE1 3.4Å; E70-Y87 HydrophobicContact CB-CE2 4.41Å; E70-Y87 HydrophobicContact CG-CE1 3.8Å; E70-K96 WeakPolarHBondContact OE2-CE 3.21Å; E70-K96 IonicContact OE2-NZ 2.65Å; E70-K96 PolarHBondContact OE2-NZ 2.92Å
71I85.2Confident86.2Confident22 Ų2265.9 Ų65.911%0.11329%0.293CS..SBendtrans-125.9153.7-177.860.4169000112.7W64 S68 K73 L80 D83 A84 Y87W64-I71 HydrophobicContact CH2-CD1 4.34Å; S68-I71 WeakPolarHBondContact O-CG1 3.18Å; I71-K73 PolarHBondContact O-N 3.18Å; I71-K73 VanDerWaalsContact O-N 3.15Å; I71-L80 HydrophobicContact CD1-CB 4.01Å; I71-L80 HydrophobicContact CD1-CD2 4.41Å; I71-L80 HydrophobicContact CD1-CG 3.95Å; I71-L80 VanDerWaalsContact CD1-O 3.25Å; I71-L80 WeakPolarHBondContact CD1-O 2.83Å; I71-D83 HydrophobicContact CB-CB 4.48Å; I71-D83 HydrophobicContact CD1-CB 4.45Å; I71-D83 HydrophobicContact CG2-CB 4.39Å; I71-A84 HydrophobicContact CD1-CB 4.16Å; I71-Y87 HydrophobicContact CG2-CG 4.48Å
72R80Confident86Confident172 Ų17268 Ų6865%0.64930%0.302SS*.  trans-77.2103.5-174.2-163172.6-167.3-178.76110.9F74 D701R72-F74 HydrophobicContact CG-CD2 3.92Å; R72-F74 PolarHBondContact O-N 2.92Å; R72-D701 IonicContact NH2-OD2 2.83Å; R72-D701 PolarHBondContact NH2-OD2 3.22Å; R72-D701 VanDerWaalsContact NH2-OD2 3.1Å
73K79.8Confident85.6Confident74 Ų7464.9 Ų64.932%0.32229%0.29SS..  trans-69.851.1-171.7-59.2-168.7173.9-167.10116.5Y38 S68 I71Y38-K73 HydrophobicContact CE1-CB 3.91Å; Y38-K73 WeakPolarHBondContact CE1-O 3.43Å; Y38-K73 HydrophobicContact CE2-CD 4.39Å; S68-K73 WeakPolarHBondContact O-CE 3.45Å; S68-K73 WeakPolarHBondContact OG-CE 3.47Å; S68-K73 PolarHBondContact OG-NZ 2.89Å; I71-K73 PolarHBondContact O-N 3.18Å; I71-K73 VanDerWaalsContact O-N 3.15Å
74F57.8Low85.4Confident166 Ų16663.1 Ų63.173%0.72828%0.282SS*.  trans-127.251.2-171.8-81.6-97000113.5R72R72-F74 HydrophobicContact CG-CD2 3.92Å; R72-F74 PolarHBondContact O-N 2.92Å
75R77.7Confident85.2Confident137 Ų13763.9 Ų63.952%0.51729%0.286SS..SBendtrans-161.1-171.6-173.8-105157.5-145.6-118.923114.2Y38 E79 L80Y38-R75 PolarHBondContact N-O 2.98Å; Y38-R75 VanDerWaalsContact N-O 3.17Å; R75-E79 HydrophobicContact CB-CB 3.95Å; R75-E79 VanDerWaalsContact CD-OE2 3.31Å; R75-E79 WeakPolarHBondContact CD-OE2 3.44Å; R75-E79 HydrophobicContact CG-CB 4Å; R75-E79 HydrophobicContact CG-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE2 3.35Å; R75-E79 IonicContact CZ-OE2 2.81Å; R75-E79 IonicContact NE-OE2 2.85Å; R75-E79 IonicContact NH1-OE2 2.68Å; R75-E79 PolarHBondContact NH1-OE2 3.36Å; R75-L80 HydrophobicContact CB-CD1 3.43Å; R75-L80 VanDerWaalsContact CB-CD1 3.43Å
76T88.8Confident84.9Confident25 Ų2562.2 Ų62.215%0.15328%0.28CS..  trans-68.4159.816361.20000110.8T78 E79 L80T76-T78 VanDerWaalsContact C-N 3.32Å; T76-E79 PolarHBondContact O-N 3.32Å; T76-E79 WeakPolarHBondContact OG1-CB 3.35Å; T76-E79 WeakPolarHBondContact OG1-CG 3.42Å; T76-E79 PolarHBondContact OG1-N 3.28Å; T76-E79 PolarHBondContact OG1-OE1 3.31Å; T76-L80 WeakPolarHBondContact O-CD1 3.38Å; T76-L80 PolarHBondContact O-N 3.35Å; T76-L80 VanDerWaalsContact O-N 3.1Å
77L87.1Confident84.6Confident0 Ų060.7 Ų60.70%027%0.271CS..Hα-helixtrans-69.5-34.5178.7-178.157.2000111.3M26 L30 D34 E42 L45 W64 E79 L80 I81M26-L77 HydrophobicContact CE-CD1 4.41Å; M26-L77 HydrophobicContact CE-CD2 4.37Å; L30-L77 HydrophobicContact CD1-CB 4.23Å; L30-L77 HydrophobicContact CD1-CD2 3.95Å; L30-L77 HydrophobicContact CD1-CG 3.89Å; L30-L77 HydrophobicContact CD2-CD2 4.16Å; D34-L77 WeakPolarHBondContact OD2-CA 3.34Å; D34-L77 PolarHBondContact OD2-N 2.85Å; E42-L77 HydrophobicContact CB-CD2 4.02Å; L45-L77 HydrophobicContact CD2-CD2 4.45Å; W64-L77 HydrophobicContact CH2-CD1 3.81Å; W64-L77 HydrophobicContact CZ2-CD1 3.3Å; L77-E79 VanDerWaalsContact C-N 3.3Å; L77-E79 PolarHBondContact O-N 3.11Å; L77-L80 HydrophobicContact CD1-CB 4.38Å; L77-L80 PolarHBondContact O-N 3.5Å; L77-I81 HydrophobicContact CD1-CG1 4.43Å; L77-I81 HydrophobicContact CG-CD1 4.1Å; L77-I81 HydrophobicContact CG-CG1 4.47Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 2.93Å
78T87.3Confident84.5Confident36 Ų3661 Ų6122%0.22127%0.271CS..Hα-helixtrans-59-39.5174.5-62.80000112.2D34 T76 F82D34-T78 WeakPolarHBondContact CB-OG1 3.37Å; D34-T78 PolarHBondContact OD2-N 3Å; D34-T78 PolarHBondContact OD2-OG1 3.41Å; T76-T78 VanDerWaalsContact C-N 3.32Å; T78-F82 HydrophobicContact CG2-CD2 4.37Å; T78-F82 HydrophobicContact CG2-CE2 3.96Å; T78-F82 WeakPolarHBondContact O-CD2 3.5Å; T78-F82 PolarHBondContact O-N 3.29Å
79E87.6Confident84.3Confident71 Ų7166.2 Ų66.233%0.33229%0.294SS..Hα-helixtrans-72.8-39.9174.2-74.7173.3-90.700112.6R75 T76 L77 I81 F82 D83R75-E79 HydrophobicContact CB-CB 3.95Å; R75-E79 VanDerWaalsContact CD-OE2 3.31Å; R75-E79 WeakPolarHBondContact CD-OE2 3.44Å; R75-E79 HydrophobicContact CG-CB 4Å; R75-E79 HydrophobicContact CG-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE2 3.35Å; R75-E79 IonicContact CZ-OE2 2.81Å; R75-E79 IonicContact NE-OE2 2.85Å; R75-E79 IonicContact NH1-OE2 2.68Å; R75-E79 PolarHBondContact NH1-OE2 3.36Å; T76-E79 PolarHBondContact O-N 3.32Å; T76-E79 WeakPolarHBondContact OG1-CB 3.35Å; T76-E79 WeakPolarHBondContact OG1-CG 3.42Å; T76-E79 PolarHBondContact OG1-N 3.28Å; T76-E79 PolarHBondContact OG1-OE1 3.31Å; L77-E79 VanDerWaalsContact C-N 3.3Å; L77-E79 PolarHBondContact O-N 3.11Å; E79-I81 PolarHBondContact O-N 3.48Å; E79-F82 PolarHBondContact O-N 2.81Å; E79-F82 VanDerWaalsContact O-N 3.08Å; E79-D83 PolarHBondContact O-N 2.89Å
80L88.4Confident84.1Confident0 Ų060.5 Ų60.50%027%0.271CS..Hα-helixtrans-60-34.1173-96.469.3000111.9Y38 W64 I71 R75 T76 L77 D83 A84Y38-L80 HydrophobicContact CD1-CD2 4.07Å; Y38-L80 HydrophobicContact CD2-CD2 3.75Å; Y38-L80 HydrophobicContact CE2-CD2 4.33Å; Y38-L80 HydrophobicContact CG-CD2 3.61Å; W64-L80 HydrophobicContact CH2-CB 4.06Å; W64-L80 HydrophobicContact CZ2-CB 4.48Å; I71-L80 HydrophobicContact CD1-CB 4.01Å; I71-L80 HydrophobicContact CD1-CD2 4.41Å; I71-L80 HydrophobicContact CD1-CG 3.95Å; I71-L80 VanDerWaalsContact CD1-O 3.25Å; I71-L80 WeakPolarHBondContact CD1-O 2.83Å; R75-L80 HydrophobicContact CB-CD1 3.43Å; R75-L80 VanDerWaalsContact CB-CD1 3.43Å; T76-L80 WeakPolarHBondContact O-CD1 3.38Å; T76-L80 PolarHBondContact O-N 3.35Å; T76-L80 VanDerWaalsContact O-N 3.1Å; L77-L80 HydrophobicContact CD1-CB 4.38Å; L77-L80 PolarHBondContact O-N 3.5Å; L80-D83 PolarHBondContact O-N 2.86Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.22Å; L80-A84 PolarHBondContact O-N 3.22Å
81I89.3Confident83.9Confident0 Ų058.4 Ų58.40%027%0.265CS..Hα-helixtrans-65.6-39.6173.6-73.8165.3000111.3L23 M26 K27 L30 W64 L77 E79 A84 Q85L23-I81 HydrophobicContact CB-CG2 4.11Å; L23-I81 HydrophobicContact CD2-CG1 4.3Å; L23-I81 HydrophobicContact CD2-CG2 4.35Å; M26-I81 HydrophobicContact CB-CD1 3.78Å; M26-I81 HydrophobicContact CE-CD1 4.3Å; M26-I81 HydrophobicContact CE-CG1 4.48Å; K27-I81 HydrophobicContact CB-CD1 4.45Å; K27-I81 HydrophobicContact CB-CG2 4.28Å; K27-I81 HydrophobicContact CD-CG2 4.25Å; L30-I81 HydrophobicContact CD1-CD1 3.53Å; W64-I81 HydrophobicContact CH2-CG1 4.22Å; W64-I81 HydrophobicContact CZ3-CG1 4.14Å; L77-I81 HydrophobicContact CD1-CG1 4.43Å; L77-I81 HydrophobicContact CG-CD1 4.1Å; L77-I81 HydrophobicContact CG-CG1 4.47Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 2.93Å; E79-I81 PolarHBondContact O-N 3.48Å; I81-A84 PolarHBondContact O-N 3.14Å; I81-Q85 WeakPolarHBondContact O-CB 3.46Å; I81-Q85 WeakPolarHBondContact O-CG 3.34Å; I81-Q85 PolarHBondContact O-N 3.12Å
82F87.5Confident83.7Confident105 Ų10561.2 Ų61.246%0.46128%0.275SS..Hα-helixtrans-66.7-42.1174.2-75.2-63.7000112.2T78 E79 A84 Q85 D86T78-F82 HydrophobicContact CG2-CD2 4.37Å; T78-F82 HydrophobicContact CG2-CE2 3.96Å; T78-F82 WeakPolarHBondContact O-CD2 3.5Å; T78-F82 PolarHBondContact O-N 3.29Å; E79-F82 PolarHBondContact O-N 2.81Å; E79-F82 VanDerWaalsContact O-N 3.08Å; F82-A84 VanDerWaalsContact C-N 3.3Å; F82-A84 PolarHBondContact O-N 3.15Å; F82-Q85 PolarHBondContact O-N 2.88Å; F82-D86 PolarHBondContact O-N 3.26Å
83D85Confident83.4Confident65 Ų6556.1 Ų56.135%0.34826%0.258SS..Hα-helixtrans-63-37.3174.7-72.4-15.7000111.2I71 E79 L80 D86 Y87I71-D83 HydrophobicContact CB-CB 4.48Å; I71-D83 HydrophobicContact CD1-CB 4.45Å; I71-D83 HydrophobicContact CG2-CB 4.39Å; E79-D83 PolarHBondContact O-N 2.89Å; L80-D83 PolarHBondContact O-N 2.86Å; D83-D86 PolarHBondContact O-N 3.16Å; D83-Y87 WeakPolarHBondContact O-CB 3.48Å; D83-Y87 PolarHBondContact O-N 3.31Å
84A88.4Confident83Confident0 Ų054.7 Ų54.70%026%0.264CS..Hα-helixtrans-66.4-41.8172.700000112.6L23 W64 V67 I71 L80 I81 F82 D86 Y87 I88L23-A84 HydrophobicContact CD1-CB 3.58Å; L23-A84 HydrophobicContact CD2-CB 3.92Å; L23-A84 HydrophobicContact CG-CB 4.45Å; W64-A84 HydrophobicContact CZ3-CB 3.94Å; V67-A84 HydrophobicContact CG1-CB 3.75Å; I71-A84 HydrophobicContact CD1-CB 4.16Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.22Å; L80-A84 PolarHBondContact O-N 3.22Å; I81-A84 PolarHBondContact O-N 3.14Å; F82-A84 VanDerWaalsContact C-N 3.3Å; F82-A84 PolarHBondContact O-N 3.15Å; A84-D86 VanDerWaalsContact C-N 3.31Å; A84-D86 PolarHBondContact O-N 3.38Å; A84-Y87 PolarHBondContact O-N 2.89Å; A84-I88 WeakPolarHBondContact O-CB 3.32Å; A84-I88 PolarHBondContact O-N 3.21Å
85Q87.9Confident83.4Confident18 Ų1857.2 Ų57.28%0.08428%0.275CS..Hα-helixtrans-63.7-35.5176-76.3-173.6-26.300111.8L20 L23 D24 I81 F82 K89L20-Q85 HydrophobicContact CD2-CB 4.26Å; L20-Q85 HydrophobicContact CD2-CG 4.1Å; L23-Q85 HydrophobicContact CB-CG 3.83Å; L23-Q85 HydrophobicContact CD1-CB 4.38Å; L23-Q85 HydrophobicContact CD1-CG 3.62Å; L23-Q85 HydrophobicContact CG-CG 4.39Å; D24-Q85 PolarHBondContact OD1-NE2 2.94Å; D24-Q85 PolarHBondContact OD2-NE2 3.36Å; I81-Q85 WeakPolarHBondContact O-CB 3.46Å; I81-Q85 WeakPolarHBondContact O-CG 3.34Å; I81-Q85 PolarHBondContact O-N 3.12Å; F82-Q85 PolarHBondContact O-N 2.88Å; Q85-K89 WeakPolarHBondContact O-CB 3.38Å; Q85-K89 WeakPolarHBondContact O-CD 3.46Å; Q85-K89 VanDerWaalsContact O-CG 3.28Å; Q85-K89 WeakPolarHBondContact O-CG 3.23Å; Q85-K89 PolarHBondContact O-N 3.21Å
86D83.9Confident83.3Confident61 Ų6153.1 Ų53.133%0.32626%0.261SS..Hα-helixtrans-73.2-38.6172.9-169.731.5000112.1F82 D83 A84 K89 N90 K93F82-D86 PolarHBondContact O-N 3.26Å; D83-D86 PolarHBondContact O-N 3.16Å; A84-D86 VanDerWaalsContact C-N 3.31Å; A84-D86 PolarHBondContact O-N 3.38Å; D86-K89 PolarHBondContact O-N 2.98Å; D86-N90 WeakPolarHBondContact O-CB 3.4Å; D86-N90 PolarHBondContact O-N 3.04Å; D86-N90 PolarHBondContact OD1-ND2 2.95Å; D86-K93 IonicContact OD1-NZ 2.62Å; D86-K93 PolarHBondContact OD1-NZ 3.29Å; D86-K93 VanDerWaalsContact OD2-CD 3.3Å; D86-K93 WeakPolarHBondContact OD2-CD 3.3Å; D86-K93 IonicContact OD2-NZ 2.74Å; D86-K93 PolarHBondContact OD2-NZ 2.87Å
87Y85.5Confident82.8Confident63 Ų6352.3 Ų52.325%0.24726%0.255CS..Hα-helixtrans-63.6-45.5175.4173.3-121000112.7V67 E70 I71 D83 A84 K89 N90 P91 K96V67-Y87 HydrophobicContact CG1-CD1 4.49Å; E70-Y87 HydrophobicContact CB-CD1 3.89Å; E70-Y87 HydrophobicContact CB-CE1 3.4Å; E70-Y87 VanDerWaalsContact CB-CE1 3.4Å; E70-Y87 HydrophobicContact CB-CE2 4.41Å; E70-Y87 HydrophobicContact CG-CE1 3.8Å; I71-Y87 HydrophobicContact CG2-CG 4.48Å; D83-Y87 WeakPolarHBondContact O-CB 3.48Å; D83-Y87 PolarHBondContact O-N 3.31Å; A84-Y87 PolarHBondContact O-N 2.89Å; Y87-K89 VanDerWaalsContact C-N 3.3Å; Y87-K89 PolarHBondContact O-N 2.86Å; Y87-N90 CarbonylContact O-C 3.54Å; Y87-N90 PolarHBondContact O-N 3.1Å; Y87-P91 HydrophobicContact CE2-CB 4.06Å; Y87-P91 WeakPolarHBondContact CE2-O 3.47Å; Y87-P91 WeakPolarHBondContact O-CA 3.33Å; Y87-P91 WeakPolarHBondContact O-CD 3.14Å; Y87-P91 WeakPolarHBondContact O-CG 3.27Å; Y87-K96 HydrophobicContact CE2-CD 4.16Å; Y87-K96 VanDerWaalsContact CE2-NZ 3.25Å
88I86.8Confident82.2Confident15 Ų1560.4 Ų60.48%0.07729%0.291CS..Hα-helixtrans-66.8-30.8178.1-77.9151.6000112.1Q16 L19 L20 L23 V67 A84Q16-I88 HydrophobicContact CG-CG2 3.84Å; Q16-I88 PolarHBondContact NE2-O 3.04Å; L19-I88 HydrophobicContact CB-CD1 3.89Å; L19-I88 HydrophobicContact CB-CG1 4.31Å; L19-I88 HydrophobicContact CB-CG2 3.99Å; L19-I88 HydrophobicContact CD1-CG1 4.42Å; L20-I88 HydrophobicContact CD2-CB 4.34Å; L20-I88 HydrophobicContact CD2-CG2 3.87Å; L20-I88 HydrophobicContact CG-CG2 3.91Å; L23-I88 HydrophobicContact CD1-CD1 3.53Å; L23-I88 HydrophobicContact CG-CD1 4.49Å; V67-I88 HydrophobicContact CG1-CD1 3.76Å; V67-I88 HydrophobicContact CG1-CG1 4.44Å; V67-I88 HydrophobicContact CG2-CD1 4.07Å; A84-I88 WeakPolarHBondContact O-CB 3.32Å; A84-I88 PolarHBondContact O-N 3.21Å
89K84.9Confident81.9Confident113 Ų11366.5 Ų66.549%0.49131%0.314SS..Hα-helixtrans-78.3-34.3173.4-72.6172.3-177.7176.30112.9L20 Q85 D86 Y87L20-K89 HydrophobicContact CD1-CD 4.46Å; L20-K89 VanDerWaalsContact CD1-CE 3.41Å; L20-K89 HydrophobicContact CD1-CG 4.14Å; L20-K89 HydrophobicContact CD2-CD 4.41Å; L20-K89 HydrophobicContact CD2-CG 4.21Å; Q85-K89 WeakPolarHBondContact O-CB 3.38Å; Q85-K89 WeakPolarHBondContact O-CD 3.46Å; Q85-K89 VanDerWaalsContact O-CG 3.28Å; Q85-K89 WeakPolarHBondContact O-CG 3.23Å; Q85-K89 PolarHBondContact O-N 3.21Å; D86-K89 PolarHBondContact O-N 2.98Å; Y87-K89 VanDerWaalsContact C-N 3.3Å; Y87-K89 PolarHBondContact O-N 2.86Å
90N82.1Confident81.6Confident31 Ų3164.2 Ų64.217%0.16630%0.304CS..  trans-132.269.9-175.8-62.1-65.7000111.8D86 Y87 Y92 K93 L178D86-N90 WeakPolarHBondContact O-CB 3.4Å; D86-N90 PolarHBondContact O-N 3.04Å; D86-N90 PolarHBondContact OD1-ND2 2.95Å; Y87-N90 CarbonylContact O-C 3.54Å; Y87-N90 PolarHBondContact O-N 3.1Å; N90-Y92 PolarHBondContact O-N 2.96Å; N90-K93 HydrophobicContact CB-CB 4.02Å; N90-K93 HydrophobicContact CB-CD 3.99Å; N90-K93 HydrophobicContact CB-CG 4.33Å; N90-K93 WeakPolarHBondContact O-CB 3.43Å; N90-K93 PolarHBondContact O-N 3.25Å; N90-L178 HydrophobicContact CB-CD2 4.18Å
91P81.3Confident81.4Confident52 Ų5268.6 Ų68.634%0.33833%0.332SS..THydrogen-bonded Turntrans-59.8-21.9-172.3-27.236.2000115Y87 K96Y87-P91 HydrophobicContact CE2-CB 4.06Å; Y87-P91 WeakPolarHBondContact CE2-O 3.47Å; Y87-P91 WeakPolarHBondContact O-CA 3.33Å; Y87-P91 WeakPolarHBondContact O-CD 3.14Å; Y87-P91 WeakPolarHBondContact O-CG 3.27Å; P91-K96 VanDerWaalsContact O-CD 3.25Å; P91-K96 WeakPolarHBondContact O-CD 3.47Å
92Y80.1Confident81.1Confident82 Ų8273.3 Ų73.332%0.32236%0.357SS..THydrogen-bonded Turntrans-101.312.5-178.1-58.3-77.1000114.1N90 K96 L97 K99 H100N90-Y92 PolarHBondContact O-N 2.96Å; Y92-K96 CarbonylContact O-C 3.59Å; Y92-L97 WeakPolarHBondContact O-CA 2.78Å; Y92-L97 WeakPolarHBondContact O-CB 3.3Å; Y92-L97 PolarHBondContact O-N 3.25Å; Y92-K99 WeakPolarHBondContact CE1-O 3.34Å; Y92-H100 VanDerWaalsContact CD1-CA 3.47Å; Y92-H100 HydrophobicContact CD1-CB 3.92Å; Y92-H100 HydrophobicContact CD2-CB 4.36Å; Y92-H100 AromaticContact CD2-CD2 3.31Å; Y92-H100 WeakPolarHBondContact CD2-CD2 3.22Å; Y92-H100 AromaticContact CE2-CD2 3.96Å; Y92-H100 HydrophobicContact CG-CB 3.83Å; Y92-H100 AromaticContact CG-CD2 3.57Å
93K74.1Confident80.9Confident64 Ų6470.2 Ų70.228%0.27834%0.344SS..  trans-64.8149.6-179.5-146.1174.2-164.2172.50112.4D86 N90 K95 K96D86-K93 IonicContact OD1-NZ 2.62Å; D86-K93 PolarHBondContact OD1-NZ 3.29Å; D86-K93 VanDerWaalsContact OD2-CD 3.3Å; D86-K93 WeakPolarHBondContact OD2-CD 3.3Å; D86-K93 IonicContact OD2-NZ 2.74Å; D86-K93 PolarHBondContact OD2-NZ 2.87Å; N90-K93 HydrophobicContact CB-CB 4.02Å; N90-K93 HydrophobicContact CB-CD 3.99Å; N90-K93 HydrophobicContact CB-CG 4.33Å; N90-K93 WeakPolarHBondContact O-CB 3.43Å; N90-K93 PolarHBondContact O-N 3.25Å; K93-K95 PolarHBondContact O-N 3.11Å; K93-K96 PolarHBondContact O-N 3.48Å
94G72.2Confident81Confident45 Ų4567.8 Ų67.846%0.46433%0.331SS..G310 helixtrans59.3-126.8172.900000114K96 L97G94-K96 PolarHBondContact O-N 2.9Å; G94-L97 VanDerWaalsContact O-CB 3.29Å; G94-L97 WeakPolarHBondContact O-CB 3.48Å; G94-L97 PolarHBondContact O-N 2.78Å
95K66.4Low80.9Confident219 Ų21976.6 Ų76.695%0.95237%0.37SS*.G310 helixtrans-58-21.9-176.1-69.8-165.8177.5-169.80113.6K93K93-K95 PolarHBondContact O-N 3.11Å
96K73.8Confident80.8Confident51 Ų5184 Ų8422%0.22240%0.401CS..G310 helixtrans-84.6-5.8178.5-68.8173.4178.6168.70114.1E70 Y87 P91 Y92 K93 G94 K98 K99E70-K96 WeakPolarHBondContact OE2-CE 3.21Å; E70-K96 IonicContact OE2-NZ 2.65Å; E70-K96 PolarHBondContact OE2-NZ 2.92Å; Y87-K96 HydrophobicContact CE2-CD 4.16Å; Y87-K96 VanDerWaalsContact CE2-NZ 3.25Å; P91-K96 VanDerWaalsContact O-CD 3.25Å; P91-K96 WeakPolarHBondContact O-CD 3.47Å; Y92-K96 CarbonylContact O-C 3.59Å; K93-K96 PolarHBondContact O-N 3.48Å; G94-K96 PolarHBondContact O-N 2.9Å; K96-K98 VanDerWaalsContact C-N 3.34Å; K96-K98 PolarHBondContact O-N 3.13Å; K96-K99 WeakPolarHBondContact O-CA 3.38Å; K96-K99 WeakPolarHBondContact O-CB 3.45Å; K96-K99 PolarHBondContact O-N 3.15Å
97L78.9Confident81Confident7 Ų782.4 Ų82.44%0.03739%0.394CS..G310 helixtrans-62-38.5-173.4-173.958.4000113.4Y92 G94 K99 H100 F103 F171 L178 M182Y92-L97 WeakPolarHBondContact O-CA 2.78Å; Y92-L97 WeakPolarHBondContact O-CB 3.3Å; Y92-L97 PolarHBondContact O-N 3.25Å; G94-L97 VanDerWaalsContact O-CB 3.29Å; G94-L97 WeakPolarHBondContact O-CB 3.48Å; G94-L97 PolarHBondContact O-N 2.78Å; L97-K99 PolarHBondContact O-N 2.65Å; L97-H100 PolarHBondContact O-N 3.43Å; L97-H100 VanDerWaalsContact O-N 3.1Å; L97-F103 HydrophobicContact CD1-CD2 4.33Å; L97-F103 HydrophobicContact CD2-CE2 4.29Å; L97-F103 HydrophobicContact CG-CD2 3.96Å; L97-F103 HydrophobicContact CG-CE2 3.95Å; L97-F171 HydrophobicContact CD1-CE1 4.05Å; L97-F171 HydrophobicContact CD1-CZ 3.82Å; L97-L178 HydrophobicContact CD1-CB 3.83Å; L97-L178 HydrophobicContact CD1-CD1 4.09Å; L97-L178 HydrophobicContact CD1-CG 4.45Å; L97-M182 HydrophobicContact CD2-CG 3.7Å
98K75.9Confident81.2Confident170 Ų17083.5 Ų83.574%0.73940%0.404SS*.G310 helixtrans-64.1-5.3174.2-61.7177.7-178.3174.60113.5K96 F103K96-K98 VanDerWaalsContact C-N 3.34Å; K96-K98 PolarHBondContact O-N 3.13Å; K98-F103 HydrophobicContact CG-CE1 4.39Å
99K80.3Confident81.3Confident165 Ų16585.3 Ų85.372%0.71742%0.416SS*.G310 helixtrans-107.7-1.5176-57.6-173.5176.1-174.40114Y92 K96 L97Y92-K99 WeakPolarHBondContact CE1-O 3.34Å; K96-K99 WeakPolarHBondContact O-CA 3.38Å; K96-K99 WeakPolarHBondContact O-CB 3.45Å; K96-K99 PolarHBondContact O-N 3.15Å; L97-K99 PolarHBondContact O-N 2.65Å
100H81.8Confident81.7Confident23 Ų2381 Ų8111%0.10640%0.399CS..SBendtrans-63.1136.9174.7-171.3-75.2000109.6Y92 L97 D102 F103 F171 H175 L178Y92-H100 VanDerWaalsContact CD1-CA 3.47Å; Y92-H100 HydrophobicContact CD1-CB 3.92Å; Y92-H100 HydrophobicContact CD2-CB 4.36Å; Y92-H100 AromaticContact CD2-CD2 3.31Å; Y92-H100 WeakPolarHBondContact CD2-CD2 3.22Å; Y92-H100 AromaticContact CE2-CD2 3.96Å; Y92-H100 HydrophobicContact CG-CB 3.83Å; Y92-H100 AromaticContact CG-CD2 3.57Å; L97-H100 PolarHBondContact O-N 3.43Å; L97-H100 VanDerWaalsContact O-N 3.1Å; H100-D102 VanDerWaalsContact C-N 3.28Å; H100-D102 IonicContact CE1-OD2 2.76Å; H100-D102 PolarHBondContact CE1-OD2 2.81Å; H100-D102 PolarHBondContact ND1-N 2.94Å; H100-D102 IonicContact ND1-OD2 2.83Å; H100-D102 PolarHBondContact ND1-OD2 2.89Å; H100-D102 PolarHBondContact O-N 2.93Å; H100-F103 HydrophobicContact CB-CB 4.07Å; H100-F103 WeakPolarHBondContact O-CB 3.42Å; H100-F103 PolarHBondContact O-N 2.84Å; H100-F171 HydrophobicContact CB-CE2 4.43Å; H100-F171 HydrophobicContact CB-CZ 4.46Å; H100-F171 AromaticContact ND1-CE2 3.67Å; H100-H175 AromaticContact CE1-CE1 3.35Å; H100-H175 PolarHBondContact CE1-CE1 3.15Å; H100-H175 AromaticContact CE1-ND1 3.95Å; H100-H175 AromaticContact CE1-NE2 3.44Å; H100-H175 PolarHBondContact CE1-NE2 3.25Å; H100-H175 AromaticContact NE2-CE1 3.51Å; H100-H175 AromaticContact NE2-ND1 3.74Å; H100-H175 AromaticContact NE2-NE2 4Å; H100-L178 VanDerWaalsContact CD2-CD1 3.43Å; H100-L178 WeakPolarHBondContact CD2-CD1 3.47Å
101P83.5Confident82.1Confident92 Ų9281.7 Ų81.760%0.59740%0.4SS*.THydrogen-bonded Turntrans-52.5-46.1-175.5-28.335.4000113F103P101-F103 VanDerWaalsContact C-N 3.34Å; P101-F103 PolarHBondContact O-N 2.69Å
102D83.3Confident82.4Confident98 Ų9883.9 Ų83.952%0.52440%0.404SS..THydrogen-bonded Turntrans-850.5-177.2-44.8-79.3000114.2H100 P104 F171H100-D102 VanDerWaalsContact C-N 3.28Å; H100-D102 IonicContact CE1-OD2 2.76Å; H100-D102 PolarHBondContact CE1-OD2 2.81Å; H100-D102 PolarHBondContact ND1-N 2.94Å; H100-D102 IonicContact ND1-OD2 2.83Å; H100-D102 PolarHBondContact ND1-OD2 2.89Å; H100-D102 PolarHBondContact O-N 2.93Å; D102-P104 VanDerWaalsContact O-CD 3.22Å; D102-P104 WeakPolarHBondContact O-CD 3.48Å; D102-F171 HydrophobicContact CB-CD2 4.26Å; D102-F171 HydrophobicContact CB-CE2 4.44Å; D102-F171 WeakPolarHBondContact O-CD2 3.49Å
103F83.8Confident82.9Confident41 Ų4182.6 Ų82.618%0.1840%0.399CS..SBendtrans-66.9119.5177.7-172.7-90000110.2L97 K98 H100 P101 K105 M168 F171L97-F103 HydrophobicContact CD1-CD2 4.33Å; L97-F103 HydrophobicContact CD2-CE2 4.29Å; L97-F103 HydrophobicContact CG-CD2 3.96Å; L97-F103 HydrophobicContact CG-CE2 3.95Å; K98-F103 HydrophobicContact CG-CE1 4.39Å; H100-F103 HydrophobicContact CB-CB 4.07Å; H100-F103 WeakPolarHBondContact O-CB 3.42Å; H100-F103 PolarHBondContact O-N 2.84Å; P101-F103 VanDerWaalsContact C-N 3.34Å; P101-F103 PolarHBondContact O-N 2.69Å; F103-K105 PolarHBondContact O-N 3.01Å; F103-M168 HydrophobicContact CE2-CE 4.27Å; F103-F171 HydrophobicContact CB-CE2 4.24Å; F103-F171 HydrophobicContact CB-CZ 4.36Å; F103-F171 HydrophobicContact CD2-CD1 4.29Å; F103-F171 AromaticContact CD2-CE1 3.75Å; F103-F171 HydrophobicContact CD2-CE1 3.75Å; F103-F171 HydrophobicContact CD2-CE2 4.44Å; F103-F171 AromaticContact CD2-CZ 3.85Å; F103-F171 HydrophobicContact CD2-CZ 3.85Å; F103-F171 HydrophobicContact CE2-CE1 4.3Å
104P87.3Confident83.7Confident14 Ų1480 Ų809%0.09139%0.388CS..PPolyproline II helixtrans-62129.8-176.9-25.537.1000112D102 F164 M168 F171D102-P104 VanDerWaalsContact O-CD 3.22Å; D102-P104 WeakPolarHBondContact O-CD 3.48Å; P104-F164 HydrophobicContact CB-CD2 3.71Å; P104-F164 HydrophobicContact CB-CE2 3.8Å; P104-F164 WeakPolarHBondContact O-CE2 3.21Å; P104-M168 HydrophobicContact CG-CB 4.28Å; P104-M168 HydrophobicContact CG-SD 4.21Å; P104-F171 HydrophobicContact CG-CB 4.24Å
105K85.4Confident84.6Confident185 Ų18578.7 Ų78.780%0.80437%0.369SS*.PPolyproline II helixtrans-81.8136.2177.4-63.9176.9-176.4173.80109.5F103 F164F103-K105 PolarHBondContact O-N 3.01Å; K105-F164 WeakPolarHBondContact O-CD2 3.44Å
106K85Confident85.6Confident173 Ų17372.7 Ų72.775%0.75235%0.346SS*.PPolyproline II helixtrans-51.5136.3176.6-75.1-174.1177.1-177.60109.8
107P88.7Confident86.4Confident27 Ų2773.6 Ų73.618%0.17535%0.351CS..PPolyproline II helixtrans-65.6139.1177.329.4-37.5000111.1T109 F157 D160 K161 F164P107-T109 PolarHBondContact O-N 3.44Å; P107-F157 HydrophobicContact CB-CD2 4.14Å; P107-F157 HydrophobicContact CB-CE2 4.22Å; P107-F157 HydrophobicContact CG-CD2 4.29Å; P107-F157 HydrophobicContact CG-CE2 3.9Å; P107-D160 HydrophobicContact CB-CB 3.78Å; P107-K161 HydrophobicContact CG-CB 4.11Å; P107-F164 HydrophobicContact CG-CB 4.44Å
108L88.9Confident86.9Confident86 Ų8675.6 Ų75.645%0.4536%0.359SS..PPolyproline II helixtrans-65.7127.4178.3-66.2178.5000111.1F112 R113 M116 F157L108-F112 HydrophobicContact CD2-CB 4.43Å; L108-R113 HydrophobicContact CB-CB 4.29Å; L108-M116 HydrophobicContact CD1-CG 4.27Å; L108-F157 VanDerWaalsContact O-CD2 3.24Å; L108-F157 WeakPolarHBondContact O-CD2 3.49Å
109T90.4Very high87.4Confident54 Ų5471.2 Ų71.233%0.33134%0.338SS..PPolyproline II helixtrans-58.7158.1176.578.10000111.2P107 Y111 F112 R113P107-T109 PolarHBondContact O-N 3.44Å; T109-Y111 PolarHBondContact O-N 3.08Å; T109-Y111 VanDerWaalsContact O-N 3.12Å; T109-F112 HydrophobicContact CG2-CD2 4.38Å; T109-F112 PolarHBondContact O-N 3.21Å; T109-F112 VanDerWaalsContact O-N 3.08Å; T109-F112 WeakPolarHBondContact OG1-CD2 3.37Å; T109-F112 PolarHBondContact OG1-N 3.48Å; T109-R113 WeakPolarHBondContact O-CB 3.44Å; T109-R113 PolarHBondContact O-N 3.25Å
110P91.7Very high87.7Confident21 Ų2166.4 Ų66.414%0.13633%0.329CS..Hα-helixtrans-54.4-35.3-177.4-29.938.6000114F114 Y142 V154 F157P110-F114 PolarHBondContact O-N 2.8Å; P110-Y142 WeakPolarHBondContact CB-OH 3.49Å; P110-V154 HydrophobicContact CB-CG2 4.04Å; P110-V154 HydrophobicContact CG-CB 4.41Å; P110-V154 HydrophobicContact CG-CG2 3.93Å; P110-F157 HydrophobicContact CG-CB 3.87Å; P110-F157 HydrophobicContact CG-CD1 4.05Å; P110-F157 HydrophobicContact CG-CG 4.08Å
111Y90.5Very high88Confident47 Ų4770.7 Ų70.718%0.18435%0.347CS..Hα-helixtrans-70.1-53.5172.8172.1-125.8000112.1T109 R113 F114 F115 S139 Y142T109-Y111 PolarHBondContact O-N 3.08Å; T109-Y111 VanDerWaalsContact O-N 3.12Å; Y111-R113 PolarHBondContact O-N 3.37Å; Y111-F114 HydrophobicContact CD2-CD1 4.48Å; Y111-F114 WeakPolarHBondContact O-CB 3.34Å; Y111-F114 PolarHBondContact O-N 3.02Å; Y111-F115 HydrophobicContact CE2-CB 4.24Å; Y111-F115 WeakPolarHBondContact O-CB 3.48Å; Y111-F115 PolarHBondContact O-N 3.35Å; Y111-S139 WeakPolarHBondContact OH-CB 3.2Å; Y111-S139 PolarHBondContact OH-N 2.97Å; Y111-Y142 AromaticContact CD2-CD1 3.71Å; Y111-Y142 HydrophobicContact CD2-CD1 3.71Å; Y111-Y142 HydrophobicContact CD2-CD2 4.16Å; Y111-Y142 HydrophobicContact CD2-CE1 4.43Å; Y111-Y142 AromaticContact CD2-CG 3.57Å; Y111-Y142 HydrophobicContact CD2-CG 3.57Å; Y111-Y142 HydrophobicContact CE2-CG 4.35Å; Y111-Y142 HydrophobicContact CG-CD1 4.18Å; Y111-Y142 HydrophobicContact CG-CG 4.42Å
112F88.7Confident88.1Confident97 Ų9769.5 Ų69.543%0.42533%0.331SS..Hα-helixtrans-61-32-179.1-81.9-63.4000112.8L108 T109 F115 M116L108-F112 HydrophobicContact CD2-CB 4.43Å; T109-F112 HydrophobicContact CG2-CD2 4.38Å; T109-F112 PolarHBondContact O-N 3.21Å; T109-F112 VanDerWaalsContact O-N 3.08Å; T109-F112 WeakPolarHBondContact OG1-CD2 3.37Å; T109-F112 PolarHBondContact OG1-N 3.48Å; F112-F115 HydrophobicContact CD1-CD1 4.27Å; F112-F115 PolarHBondContact O-N 3.41Å; F112-M116 WeakPolarHBondContact O-CB 3.44Å; F112-M116 WeakPolarHBondContact O-CG 3.32Å; F112-M116 PolarHBondContact O-N 2.9Å
113R90.1Very high88.3Confident55 Ų5566.8 Ų66.821%0.20832%0.323CS..Hα-helixtrans-64.6-44.5173.1-159.7-175-159.696.5-1.1112L108 T109 Y111 E117 Y153 D156 D160L108-R113 HydrophobicContact CB-CB 4.29Å; T109-R113 WeakPolarHBondContact O-CB 3.44Å; T109-R113 PolarHBondContact O-N 3.25Å; Y111-R113 PolarHBondContact O-N 3.37Å; R113-E117 PolarHBondContact O-N 3.07Å; R113-Y153 HydrophobicContact CB-CD1 4.43Å; R113-Y153 HydrophobicContact CG-CD1 4.38Å; R113-D156 IonicContact NE-OD2 3.71Å; R113-D160 IonicContact CZ-OD2 2.82Å; R113-D160 IonicContact NH1-OD2 2.75Å; R113-D160 PolarHBondContact NH1-OD2 3.06Å; R113-D160 IonicContact NH2-OD1 2.7Å; R113-D160 PolarHBondContact NH2-OD1 3.49Å; R113-D160 IonicContact NH2-OD2 3.27Å; R113-D160 PolarHBondContact NH2-OD2 3.37Å
114F92Very high88.5Confident10 Ų1073.2 Ų73.24%0.04435%0.351CS..Hα-helixtrans-64.2-46.5172.2166.7-94.1000111.7P110 Y111 M116 E117 K118 L138 K141 Y142 L145 Y153P110-F114 PolarHBondContact O-N 2.8Å; Y111-F114 HydrophobicContact CD2-CD1 4.48Å; Y111-F114 WeakPolarHBondContact O-CB 3.34Å; Y111-F114 PolarHBondContact O-N 3.02Å; F114-M116 PolarHBondContact O-N 3.38Å; F114-E117 PolarHBondContact O-N 3.05Å; F114-E117 VanDerWaalsContact O-N 3.15Å; F114-K118 HydrophobicContact CD2-CG 3.81Å; F114-K118 HydrophobicContact CE1-CG 4.23Å; F114-K118 HydrophobicContact CE2-CD 4.19Å; F114-K118 HydrophobicContact CE2-CG 3.45Å; F114-K118 VanDerWaalsContact CE2-CG 3.45Å; F114-K118 HydrophobicContact CG-CG 4.35Å; F114-K118 HydrophobicContact CZ-CB 4.48Å; F114-K118 HydrophobicContact CZ-CG 3.69Å; F114-K118 WeakPolarHBondContact O-CG 3.28Å; F114-K118 PolarHBondContact O-N 3.1Å; F114-L138 HydrophobicContact CE1-CD2 4.11Å; F114-L138 HydrophobicContact CZ-CD2 4.43Å; F114-K141 HydrophobicContact CZ-CB 4.36Å; F114-Y142 HydrophobicContact CB-CD2 3.71Å; F114-Y142 HydrophobicContact CB-CE2 4Å; F114-Y142 AromaticContact CD1-CD2 3.66Å; F114-Y142 HydrophobicContact CD1-CD2 3.66Å; F114-Y142 HydrophobicContact CD1-CG 4.13Å; F114-Y142 HydrophobicContact CD2-CD2 4.31Å; F114-Y142 HydrophobicContact CE1-CD2 4.35Å; F114-Y142 AromaticContact CG-CD2 3.63Å; F114-Y142 HydrophobicContact CG-CD2 3.63Å; F114-Y142 HydrophobicContact CG-CE2 4.37Å; F114-L145 HydrophobicContact CD2-CD1 3.8Å; F114-L145 HydrophobicContact CE2-CD1 3.72Å; F114-L145 HydrophobicContact CE2-CG 4.44Å; F114-L145 HydrophobicContact CG-CD1 4.44Å; F114-L145 HydrophobicContact CZ-CD1 4.32Å; F114-Y153 HydrophobicContact CB-CD1 4.25Å; F114-Y153 HydrophobicContact CB-CE1 4.11Å; F114-Y153 HydrophobicContact CB-CE2 4.41Å; F114-Y153 HydrophobicContact CB-CG 4.47Å; F114-Y153 HydrophobicContact CD2-CE1 4.48Å; F114-Y153 HydrophobicContact CD2-CE2 4.12Å; F114-Y153 AromaticContact CD2-CZ 3.85Å
115F91.1Very high88.4Confident17 Ų1778.4 Ų78.48%0.07538%0.377CS..Hα-helixtrans-55.4-51.3178.8176-110.7000110.7Y111 F112 E117 K118 R119 T135 L138Y111-F115 HydrophobicContact CE2-CB 4.24Å; Y111-F115 WeakPolarHBondContact O-CB 3.48Å; Y111-F115 PolarHBondContact O-N 3.35Å; F112-F115 HydrophobicContact CD1-CD1 4.27Å; F112-F115 PolarHBondContact O-N 3.41Å; F115-E117 PolarHBondContact O-N 3.11Å; F115-K118 PolarHBondContact O-N 2.91Å; F115-R119 WeakPolarHBondContact O-CA 3.39Å; F115-R119 WeakPolarHBondContact O-CB 3.36Å; F115-R119 PolarHBondContact O-N 3.43Å; F115-T135 HydrophobicContact CE2-CG2 3.93Å; F115-T135 HydrophobicContact CZ-CG2 4.17Å; F115-T135 WeakPolarHBondContact CZ-OG1 3.37Å; F115-L138 HydrophobicContact CD2-CB 3.86Å; F115-L138 HydrophobicContact CD2-CD1 3.56Å; F115-L138 HydrophobicContact CD2-CG 4.36Å; F115-L138 HydrophobicContact CE2-CB 4.37Å; F115-L138 HydrophobicContact CE2-CD1 3.76Å
116M87.5Confident88.1Confident93 Ų9373.4 Ų73.446%0.45836%0.356SS..Hα-helixtrans-58.3-42.4175.6-73.3-67.8107.500113.1L108 F112 F114 K118L108-M116 HydrophobicContact CD1-CG 4.27Å; F112-M116 WeakPolarHBondContact O-CB 3.44Å; F112-M116 WeakPolarHBondContact O-CG 3.32Å; F112-M116 PolarHBondContact O-N 2.9Å; F114-M116 PolarHBondContact O-N 3.38Å; M116-K118 VanDerWaalsContact C-N 3.33Å; M116-K118 PolarHBondContact O-N 2.74Å
117E89.4Confident88.1Confident71 Ų7170.3 Ų70.333%0.33235%0.354SS..Hα-helixtrans-71.2-23.9-177.9-156-119104.100113.9R113 F114 F115 K121R113-E117 PolarHBondContact O-N 3.07Å; F114-E117 PolarHBondContact O-N 3.05Å; F114-E117 VanDerWaalsContact O-N 3.15Å; F115-E117 PolarHBondContact O-N 3.11Å; E117-K121 PolarHBondContact O-NZ 2.91Å; E117-K121 IonicContact OE1-NZ 3.99Å; E117-K121 PolarHBondContact OE1-NZ 2.89Å
118K89.4Confident87.9Confident48 Ų4878.4 Ų78.421%0.20939%0.389CS..Hα-helixtrans-104.9-32.1-179.4-54.8-44.6174.2-163.90114F114 F115 M116 A120 K121 Y122 L138F114-K118 HydrophobicContact CD2-CG 3.81Å; F114-K118 HydrophobicContact CE1-CG 4.23Å; F114-K118 HydrophobicContact CE2-CD 4.19Å; F114-K118 HydrophobicContact CE2-CG 3.45Å; F114-K118 VanDerWaalsContact CE2-CG 3.45Å; F114-K118 HydrophobicContact CG-CG 4.35Å; F114-K118 HydrophobicContact CZ-CB 4.48Å; F114-K118 HydrophobicContact CZ-CG 3.69Å; F114-K118 WeakPolarHBondContact O-CG 3.28Å; F114-K118 PolarHBondContact O-N 3.1Å; F115-K118 PolarHBondContact O-N 2.91Å; M116-K118 VanDerWaalsContact C-N 3.33Å; M116-K118 PolarHBondContact O-N 2.74Å; K118-A120 PolarHBondContact O-N 3.29Å; K118-K121 WeakPolarHBondContact O-CA 3.23Å; K118-K121 WeakPolarHBondContact O-CB 3.38Å; K118-K121 PolarHBondContact O-N 2.93Å; K118-Y122 HydrophobicContact CB-CD2 4.05Å; K118-Y122 HydrophobicContact CB-CE2 4.25Å; K118-Y122 PolarHBondContact O-N 3.13Å; K118-L138 HydrophobicContact CB-CD2 3.68Å
119R87.6Confident87.6Confident78 Ų7877.9 Ų77.929%0.29439%0.386SS..Hα-helixtrans-45.4-55.3179.7172.9-172.1174.271.39.6112.2F115 K121 Y122 A123 N131 L134 L138F115-R119 WeakPolarHBondContact O-CA 3.39Å; F115-R119 WeakPolarHBondContact O-CB 3.36Å; F115-R119 PolarHBondContact O-N 3.43Å; R119-K121 PolarHBondContact O-N 2.79Å; R119-K121 VanDerWaalsContact O-N 3.13Å; R119-Y122 PolarHBondContact O-N 3.29Å; R119-A123 VanDerWaalsContact O-CB 3.29Å; R119-A123 WeakPolarHBondContact O-CB 3.32Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-N131 PolarHBondContact NH1-OD1 3.24Å; R119-N131 PolarHBondContact NH2-OD1 3.17Å; R119-L134 HydrophobicContact CG-CD2 4.15Å; R119-L138 HydrophobicContact CB-CD1 4.18Å
120A86.4Confident87.5Confident65 Ų6577.9 Ų77.954%0.53739%0.387SS..Hα-helixtrans-66.2-14.7-177.200000114.3K118 K124K118-A120 PolarHBondContact O-N 3.29Å; A120-K124 WeakPolarHBondContact O-CG 3.04Å
121K87.1Confident87.1Confident112 Ų11281.4 Ų81.449%0.48741%0.405SS..Hα-helixtrans-91.8-48175-62.4166.1-174.5161.60110.2E117 K118 R119 K124 L125E117-K121 PolarHBondContact O-NZ 2.91Å; E117-K121 IonicContact OE1-NZ 3.99Å; E117-K121 PolarHBondContact OE1-NZ 2.89Å; K118-K121 WeakPolarHBondContact O-CA 3.23Å; K118-K121 WeakPolarHBondContact O-CB 3.38Å; K118-K121 PolarHBondContact O-N 2.93Å; R119-K121 PolarHBondContact O-N 2.79Å; R119-K121 VanDerWaalsContact O-N 3.13Å; K121-K124 PolarHBondContact O-N 3.42Å; K121-K124 VanDerWaalsContact O-N 3.15Å; K121-L125 WeakPolarHBondContact O-CG 3.42Å; K121-L125 PolarHBondContact O-N 3.22Å; K121-L125 VanDerWaalsContact O-N 3.09Å
122Y85.3Confident86.9Confident67 Ų6783.8 Ų83.826%0.26342%0.421SS..Hα-helixtrans-66-36.9177.7-84.2-101.9000112.9K118 R119 K124 L125 H126 L134 I137 L138K118-Y122 HydrophobicContact CB-CD2 4.05Å; K118-Y122 HydrophobicContact CB-CE2 4.25Å; K118-Y122 PolarHBondContact O-N 3.13Å; R119-Y122 PolarHBondContact O-N 3.29Å; Y122-K124 PolarHBondContact O-N 2.99Å; Y122-L125 CarbonylContact O-C 3.6Å; Y122-L125 PolarHBondContact O-N 2.92Å; Y122-L125 VanDerWaalsContact O-N 3.1Å; Y122-H126 PolarHBondContact O-N 3.19Å; Y122-L134 HydrophobicContact CG-CD1 4.39Å; Y122-I137 HydrophobicContact CE1-CG2 4.42Å; Y122-L138 HydrophobicContact CD2-CD2 3.91Å; Y122-L138 HydrophobicContact CE2-CD2 4.1Å; Y122-L138 HydrophobicContact CG-CD2 4.2Å
123A87.5Confident86.8Confident41 Ų4182.3 Ų82.334%0.33942%0.417SS..Hα-helixtrans-63-24.8172.900000113.5R119 P127 L134R119-A123 VanDerWaalsContact O-CB 3.29Å; R119-A123 WeakPolarHBondContact O-CB 3.32Å; R119-A123 PolarHBondContact O-N 3.28Å; A123-P127 WeakPolarHBondContact O-CA 3.45Å; A123-L134 HydrophobicContact CB-CD2 3.89Å
124K87.9Confident86.6Confident177 Ų17780.3 Ų80.377%0.7741%0.41SS*.Hα-helixtrans-86.4-24.1173.3-70.1-175.1177.2-168.10113.2A120 K121 Y122A120-K124 WeakPolarHBondContact O-CG 3.04Å; K121-K124 PolarHBondContact O-N 3.42Å; K121-K124 VanDerWaalsContact O-N 3.15Å; Y122-K124 PolarHBondContact O-N 2.99Å
125L85.4Confident86.4Confident122 Ų12281.2 Ų81.264%0.63942%0.417SS*.Hα-helixtrans-83.8-22.7174.7-68.2168.6000112.4K121 Y122K121-L125 WeakPolarHBondContact O-CG 3.42Å; K121-L125 PolarHBondContact O-N 3.22Å; K121-L125 VanDerWaalsContact O-N 3.09Å; Y122-L125 CarbonylContact O-C 3.6Å; Y122-L125 PolarHBondContact O-N 2.92Å; Y122-L125 VanDerWaalsContact O-N 3.1Å
126H80.3Confident86.4Confident81 Ų8182.8 Ų82.838%0.37542%0.424SS..  trans-135.268.9178-53.3-74.7000111.2Y122 E128 M129Y122-H126 PolarHBondContact O-N 3.19Å; H126-E128 PolarHBondContact O-N 2.9Å; H126-M129 HydrophobicContact CB-CB 4.12Å; H126-M129 HydrophobicContact CB-CE 3.59Å; H126-M129 HydrophobicContact CB-CG 4.19Å; H126-M129 VanDerWaalsContact CG-CE 3.45Å; H126-M129 PolarHBondContact O-N 3.46Å
127P83.8Confident86.5Confident108 Ų10881 Ų8170%0.70142%0.416SS*.THydrogen-bonded Turntrans-63.8-22.9-177.2-21.534.9000114.2A123A123-P127 WeakPolarHBondContact O-CA 3.45Å
128E85.5Confident86.5Confident196 Ų19677.7 Ų77.792%0.91640%0.4SS*.THydrogen-bonded Turntrans-88.6-13.5-178.8-60.4178.9137.300113.8H126H126-E128 PolarHBondContact O-N 2.9Å
129M82.7Confident86.5Confident76 Ų7676.9 Ų76.937%0.37440%0.401SS..SBendtrans-85.2144.6-179.9-74.7-152.6-64.200112H126 I137H126-M129 HydrophobicContact CB-CB 4.12Å; H126-M129 HydrophobicContact CB-CE 3.59Å; H126-M129 HydrophobicContact CB-CG 4.19Å; H126-M129 VanDerWaalsContact CG-CE 3.45Å; H126-M129 PolarHBondContact O-N 3.46Å; M129-I137 HydrophobicContact CE-CD1 3.47Å; M129-I137 VanDerWaalsContact CE-CD1 3.47Å; M129-I137 HydrophobicContact SD-CD1 4.13Å
130S88.5Confident86.6Confident53 Ų5379.3 Ų79.337%0.37141%0.413SS..  trans-69161.4-17586.30000112.4L132 D133 L134S130-L132 PolarHBondContact O-N 2.65Å; S130-L132 PolarHBondContact OG-N 2.92Å; S130-D133 WeakPolarHBondContact CB-OD2 3.33Å; S130-D133 PolarHBondContact N-OD2 3.42Å; S130-D133 PolarHBondContact O-N 3.38Å; S130-D133 PolarHBondContact OG-N 3.14Å; S130-D133 PolarHBondContact OG-OD2 3Å; S130-L134 WeakPolarHBondContact O-CB 3.32Å; S130-L134 PolarHBondContact O-N 2.69Å
131N82.7Confident86.8Confident96 Ų9680.2 Ų80.251%0.51341%0.405SS..Hα-helixtrans-59.5-26.9174-170.562.6000113.1R119 T135R119-N131 PolarHBondContact NH1-OD1 3.24Å; R119-N131 PolarHBondContact NH2-OD1 3.17Å; N131-T135 PolarHBondContact O-N 3.31Å; N131-T135 PolarHBondContact O-OG1 3.18Å
132L85.3Confident86.9Confident96 Ų9676.7 Ų76.750%0.50339%0.389SS..Hα-helixtrans-75.2-51.6177.8-163.278.8000110.4S130 L134 T135 K136S130-L132 PolarHBondContact O-N 2.65Å; S130-L132 PolarHBondContact OG-N 2.92Å; L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.91Å; L132-T135 CarbonylContact O-C 3.54Å; L132-T135 WeakPolarHBondContact O-CA 3.24Å; L132-T135 WeakPolarHBondContact O-CB 3.38Å; L132-T135 PolarHBondContact O-N 3.4Å; L132-K136 PolarHBondContact O-N 2.91Å
133D87.4Confident87.1Confident67 Ų6782.5 Ų82.536%0.35841%0.41SS..Hα-helixtrans-60.1-42.8-179.5-51.8-51.8000111.4S130 T135 K136 I137S130-D133 WeakPolarHBondContact CB-OD2 3.33Å; S130-D133 PolarHBondContact N-OD2 3.42Å; S130-D133 PolarHBondContact O-N 3.38Å; S130-D133 PolarHBondContact OG-N 3.14Å; S130-D133 PolarHBondContact OG-OD2 3Å; D133-T135 PolarHBondContact O-N 3.44Å; D133-K136 PolarHBondContact O-N 3.28Å; D133-I137 WeakPolarHBondContact O-CB 3.42Å; D133-I137 VanDerWaalsContact O-CG1 3.25Å; D133-I137 WeakPolarHBondContact O-CG1 3.41Å; D133-I137 PolarHBondContact O-N 2.91Å
134L86.4Confident87.3Confident12 Ų1285.2 Ų85.26%0.06342%0.416CS..Hα-helixtrans-55.1-37.2172.2175.658.9000112.2R119 Y122 A123 S130 L132 L138R119-L134 HydrophobicContact CG-CD2 4.15Å; Y122-L134 HydrophobicContact CG-CD1 4.39Å; A123-L134 HydrophobicContact CB-CD2 3.89Å; S130-L134 WeakPolarHBondContact O-CB 3.32Å; S130-L134 PolarHBondContact O-N 2.69Å; L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.91Å; L134-L138 HydrophobicContact CD1-CD1 3.79Å; L134-L138 HydrophobicContact CD1-CG 4.28Å; L134-L138 HydrophobicContact CG-CD1 4.14Å; L134-L138 WeakPolarHBondContact O-CB 3.29Å; L134-L138 VanDerWaalsContact O-CG 3.22Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.48Å
135T87.9Confident87.4Confident29 Ų2978.1 Ų78.118%0.17839%0.387CS..Hα-helixtrans-76.8-43.2179.8-55.20000111.4F115 N131 L132 D133 I137 L138 S139F115-T135 HydrophobicContact CE2-CG2 3.93Å; F115-T135 HydrophobicContact CZ-CG2 4.17Å; F115-T135 WeakPolarHBondContact CZ-OG1 3.37Å; N131-T135 PolarHBondContact O-N 3.31Å; N131-T135 PolarHBondContact O-OG1 3.18Å; L132-T135 CarbonylContact O-C 3.54Å; L132-T135 WeakPolarHBondContact O-CA 3.24Å; L132-T135 WeakPolarHBondContact O-CB 3.38Å; L132-T135 PolarHBondContact O-N 3.4Å; D133-T135 PolarHBondContact O-N 3.44Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 2.87Å; T135-L138 PolarHBondContact O-N 3.06Å; T135-S139 PolarHBondContact O-N 2.92Å
136K91.3Very high87.8Confident50 Ų5076 Ų7622%0.21738%0.38CS..Hα-helixtrans-60.5-40.6173.2-63.5-169.3179.4-143.80112.2L132 D133 S139 K140 D713L132-K136 PolarHBondContact O-N 2.91Å; D133-K136 PolarHBondContact O-N 3.28Å; K136-S139 PolarHBondContact O-OG 2.72Å; K136-S139 VanDerWaalsContact O-OG 3.14Å; K136-K140 WeakPolarHBondContact O-CB 3.39Å; K136-K140 PolarHBondContact O-N 3.31Å; K136-K140 VanDerWaalsContact O-N 3.14Å; K136-D713 WeakPolarHBondContact CD-OD2 3.35Å; K136-D713 WeakPolarHBondContact CE-OD2 3.14Å; K136-D713 IonicContact NZ-OD1 3.22Å; K136-D713 PolarHBondContact NZ-OD1 2.86Å; K136-D713 IonicContact NZ-OD2 3.84Å; K136-D713 PolarHBondContact NZ-OD2 2.67Å
137I87.8Confident88.1Confident57 Ų5777.6 Ų77.629%0.29239%0.391SS..Hα-helixtrans-65.5-43.7175-70.5167.6000111.2Y122 M129 D133 T135 K140 K141Y122-I137 HydrophobicContact CE1-CG2 4.42Å; M129-I137 HydrophobicContact CE-CD1 3.47Å; M129-I137 VanDerWaalsContact CE-CD1 3.47Å; M129-I137 HydrophobicContact SD-CD1 4.13Å; D133-I137 WeakPolarHBondContact O-CB 3.42Å; D133-I137 VanDerWaalsContact O-CG1 3.25Å; D133-I137 WeakPolarHBondContact O-CG1 3.41Å; D133-I137 PolarHBondContact O-N 2.91Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 2.87Å; I137-K140 PolarHBondContact O-N 3.21Å; I137-K141 HydrophobicContact CG2-CG 4.37Å; I137-K141 WeakPolarHBondContact O-CB 3.23Å; I137-K141 VanDerWaalsContact O-CG 3.26Å; I137-K141 WeakPolarHBondContact O-CG 3.46Å; I137-K141 PolarHBondContact O-N 3.29Å
138L89.8Confident88.4Confident0 Ų081.9 Ų81.90%040%0.399CS..Hα-helixtrans-72.1-33.3-179.7-73.6171.9000113F114 F115 K118 R119 Y122 L134 T135 K141 Y142F114-L138 HydrophobicContact CE1-CD2 4.11Å; F114-L138 HydrophobicContact CZ-CD2 4.43Å; F115-L138 HydrophobicContact CD2-CB 3.86Å; F115-L138 HydrophobicContact CD2-CD1 3.56Å; F115-L138 HydrophobicContact CD2-CG 4.36Å; F115-L138 HydrophobicContact CE2-CB 4.37Å; F115-L138 HydrophobicContact CE2-CD1 3.76Å; K118-L138 HydrophobicContact CB-CD2 3.68Å; R119-L138 HydrophobicContact CB-CD1 4.18Å; Y122-L138 HydrophobicContact CD2-CD2 3.91Å; Y122-L138 HydrophobicContact CE2-CD2 4.1Å; Y122-L138 HydrophobicContact CG-CD2 4.2Å; L134-L138 HydrophobicContact CD1-CD1 3.79Å; L134-L138 HydrophobicContact CD1-CG 4.28Å; L134-L138 HydrophobicContact CG-CD1 4.14Å; L134-L138 WeakPolarHBondContact O-CB 3.29Å; L134-L138 VanDerWaalsContact O-CG 3.22Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.48Å; T135-L138 PolarHBondContact O-N 3.06Å; L138-K141 PolarHBondContact O-N 3.36Å; L138-Y142 WeakPolarHBondContact O-CB 3.47Å; L138-Y142 PolarHBondContact O-N 3.15Å
139S89.6Confident88.5Confident32 Ų3278.8 Ų78.822%0.22438%0.382CS..Hα-helixtrans-65.5-43.3173.2840000111.1Y111 T135 K136 Y142 R143Y111-S139 WeakPolarHBondContact OH-CB 3.2Å; Y111-S139 PolarHBondContact OH-N 2.97Å; T135-S139 PolarHBondContact O-N 2.92Å; K136-S139 PolarHBondContact O-OG 2.72Å; K136-S139 VanDerWaalsContact O-OG 3.14Å; S139-Y142 PolarHBondContact O-N 2.89Å; S139-R143 PolarHBondContact O-N 2.89Å
140K90.8Very high88.9Confident128 Ų12877.2 Ų77.256%0.55737%0.374SS*.Hα-helixtrans-61.2-48.1172.4-176.1169.4-178.3173.30111.7K136 I137 Y142 R143 E144K136-K140 WeakPolarHBondContact O-CB 3.39Å; K136-K140 PolarHBondContact O-N 3.31Å; K136-K140 VanDerWaalsContact O-N 3.14Å; I137-K140 PolarHBondContact O-N 3.21Å; K140-Y142 VanDerWaalsContact C-N 3.31Å; K140-Y142 PolarHBondContact O-N 3.23Å; K140-R143 VanDerWaalsContact O-CB 3.32Å; K140-R143 WeakPolarHBondContact O-CB 3.39Å; K140-R143 PolarHBondContact O-N 2.86Å; K140-R143 VanDerWaalsContact O-N 3.14Å; K140-E144 WeakPolarHBondContact CE-OE1 3.38Å; K140-E144 WeakPolarHBondContact CG-OE1 3.14Å; K140-E144 WeakPolarHBondContact O-CG 3.28Å; K140-E144 PolarHBondContact O-N 3.32Å
141K89.2Confident89Confident84 Ų8480.5 Ų80.537%0.36538%0.381SS..Hα-helixtrans-64.2-31.2178.2-71.3-71159.3-147.20113.4F114 I137 L138 E144 L145F114-K141 HydrophobicContact CZ-CB 4.36Å; I137-K141 HydrophobicContact CG2-CG 4.37Å; I137-K141 WeakPolarHBondContact O-CB 3.23Å; I137-K141 VanDerWaalsContact O-CG 3.26Å; I137-K141 WeakPolarHBondContact O-CG 3.46Å; I137-K141 PolarHBondContact O-N 3.29Å; L138-K141 PolarHBondContact O-N 3.36Å; K141-E144 WeakPolarHBondContact CD-OE2 3.14Å; K141-E144 WeakPolarHBondContact CE-OE2 3.05Å; K141-E144 IonicContact NZ-OE1 3.96Å; K141-E144 IonicContact NZ-OE2 2.8Å; K141-E144 PolarHBondContact NZ-OE2 2.95Å; K141-L145 PolarHBondContact O-N 3.33Å
142Y90.5Very high89.5Confident39 Ų3981.1 Ų81.115%0.15338%0.379CS..Hα-helixtrans-69.4-42.1172.1-176.1-103.8000112P110 Y111 F114 L138 S139 K140 E144 L145 K150P110-Y142 WeakPolarHBondContact CB-OH 3.49Å; Y111-Y142 AromaticContact CD2-CD1 3.71Å; Y111-Y142 HydrophobicContact CD2-CD1 3.71Å; Y111-Y142 HydrophobicContact CD2-CD2 4.16Å; Y111-Y142 HydrophobicContact CD2-CE1 4.43Å; Y111-Y142 AromaticContact CD2-CG 3.57Å; Y111-Y142 HydrophobicContact CD2-CG 3.57Å; Y111-Y142 HydrophobicContact CE2-CG 4.35Å; Y111-Y142 HydrophobicContact CG-CD1 4.18Å; Y111-Y142 HydrophobicContact CG-CG 4.42Å; F114-Y142 HydrophobicContact CB-CD2 3.71Å; F114-Y142 HydrophobicContact CB-CE2 4Å; F114-Y142 AromaticContact CD1-CD2 3.66Å; F114-Y142 HydrophobicContact CD1-CD2 3.66Å; F114-Y142 HydrophobicContact CD1-CG 4.13Å; F114-Y142 HydrophobicContact CD2-CD2 4.31Å; F114-Y142 HydrophobicContact CE1-CD2 4.35Å; F114-Y142 AromaticContact CG-CD2 3.63Å; F114-Y142 HydrophobicContact CG-CD2 3.63Å; F114-Y142 HydrophobicContact CG-CE2 4.37Å; L138-Y142 WeakPolarHBondContact O-CB 3.47Å; L138-Y142 PolarHBondContact O-N 3.15Å; S139-Y142 PolarHBondContact O-N 2.89Å; K140-Y142 VanDerWaalsContact C-N 3.31Å; K140-Y142 PolarHBondContact O-N 3.23Å; Y142-E144 VanDerWaalsContact C-N 3.31Å; Y142-E144 PolarHBondContact O-N 3.11Å; Y142-L145 HydrophobicContact CD2-CD1 3.81Å; Y142-L145 HydrophobicContact CE2-CD1 4.27Å; Y142-L145 WeakPolarHBondContact O-CB 3.47Å; Y142-L145 PolarHBondContact O-N 3.39Å; Y142-L145 VanDerWaalsContact O-N 3.13Å; Y142-K150 HydrophobicContact CE2-CG 4.5Å; Y142-K150 WeakPolarHBondContact O-CE 3.23Å
143R89.8Confident89.8Confident188 Ų18877.4 Ų77.471%0.70936%0.358SS*.Hα-helixtrans-57.1-45.7175.4-147178.6-55.7-152.63.5111.2S139 K140 L145 K150S139-R143 PolarHBondContact O-N 2.89Å; K140-R143 VanDerWaalsContact O-CB 3.32Å; K140-R143 WeakPolarHBondContact O-CB 3.39Å; K140-R143 PolarHBondContact O-N 2.86Å; K140-R143 VanDerWaalsContact O-N 3.14Å; R143-L145 VanDerWaalsContact C-N 3.28Å; R143-L145 PolarHBondContact O-N 2.95Å; R143-K150 WeakPolarHBondContact O-CE 3.45Å; R143-K150 PolarHBondContact O-NZ 2.57Å
144E91.3Very high89.8Confident98 Ų9876.8 Ų76.846%0.45836%0.357SS..THydrogen-bonded Turntrans-69.4-9.5177.1-69.1171.3-175.700115K140 K141 Y142K140-E144 WeakPolarHBondContact CE-OE1 3.38Å; K140-E144 WeakPolarHBondContact CG-OE1 3.14Å; K140-E144 WeakPolarHBondContact O-CG 3.28Å; K140-E144 PolarHBondContact O-N 3.32Å; K141-E144 WeakPolarHBondContact CD-OE2 3.14Å; K141-E144 WeakPolarHBondContact CE-OE2 3.05Å; K141-E144 IonicContact NZ-OE1 3.96Å; K141-E144 IonicContact NZ-OE2 2.8Å; K141-E144 PolarHBondContact NZ-OE2 2.95Å; Y142-E144 VanDerWaalsContact C-N 3.31Å; Y142-E144 PolarHBondContact O-N 3.11Å
145L90.3Very high90Very high29 Ų2979.5 Ų79.515%0.15237%0.372CS..SBendtrans-66.9135.5179.5-81.4174.1000112F114 K141 Y142 R143 K149 K150 Y153F114-L145 HydrophobicContact CD2-CD1 3.8Å; F114-L145 HydrophobicContact CE2-CD1 3.72Å; F114-L145 HydrophobicContact CE2-CG 4.44Å; F114-L145 HydrophobicContact CG-CD1 4.44Å; F114-L145 HydrophobicContact CZ-CD1 4.32Å; K141-L145 PolarHBondContact O-N 3.33Å; Y142-L145 HydrophobicContact CD2-CD1 3.81Å; Y142-L145 HydrophobicContact CE2-CD1 4.27Å; Y142-L145 WeakPolarHBondContact O-CB 3.47Å; Y142-L145 PolarHBondContact O-N 3.39Å; Y142-L145 VanDerWaalsContact O-N 3.13Å; R143-L145 VanDerWaalsContact C-N 3.28Å; R143-L145 PolarHBondContact O-N 2.95Å; L145-K149 HydrophobicContact CD2-CB 4.17Å; L145-K149 HydrophobicContact CD2-CD 4.09Å; L145-K150 HydrophobicContact CB-CD 4.49Å; L145-K150 HydrophobicContact CB-CG 3.75Å; L145-K150 WeakPolarHBondContact O-CE 3.4Å; L145-K150 PolarHBondContact O-NZ 2.88Å; L145-Y153 HydrophobicContact CD1-CE2 4.22Å
146P92.6Very high90.1Very high77 Ų7779.5 Ų79.550%0.537%0.371SS..  trans-58.1143.4167.1-24.733.9000111.8K148 K149 K150P146-K148 PolarHBondContact O-N 3.29Å; P146-K148 VanDerWaalsContact O-N 3.15Å; P146-K149 WeakPolarHBondContact O-CA 3.49Å; P146-K149 WeakPolarHBondContact O-CB 3.44Å; P146-K149 PolarHBondContact O-N 3.42Å; P146-K150 PolarHBondContact O-N 2.69Å; P146-K150 VanDerWaalsContact O-N 3.09Å
147D87.1Confident90.1Very high114 Ų11479.3 Ų79.361%0.6137%0.37SS*.Hα-helixtrans-66.1-26-170.7-50.1-52.6000113.1K149 K150 K151D147-K149 PolarHBondContact O-N 3.41Å; D147-K150 PolarHBondContact O-N 2.73Å; D147-K150 IonicContact OD1-NZ 3.73Å; D147-K150 PolarHBondContact OD1-NZ 2.95Å; D147-K151 VanDerWaalsContact O-CB 3.27Å; D147-K151 WeakPolarHBondContact O-CB 3.41Å; D147-K151 PolarHBondContact O-N 3.18Å
148K89.3Confident90.1Very high199 Ų19981 Ų8187%0.86538%0.379SS*.Hα-helixtrans-58.7-30.3168.6-66.8-176.5179.1179.40113.1P146P146-K148 PolarHBondContact O-N 3.29Å; P146-K148 VanDerWaalsContact O-N 3.15Å
149K89Confident90.2Very high130 Ų13088.5 Ų88.557%0.56541%0.407SS*.Hα-helixtrans-87.1-37.8174.6-66.5-175.9-179.91760111.9L145 P146 D147 K151 K152 Y153L145-K149 HydrophobicContact CD2-CB 4.17Å; L145-K149 HydrophobicContact CD2-CD 4.09Å; P146-K149 WeakPolarHBondContact O-CA 3.49Å; P146-K149 WeakPolarHBondContact O-CB 3.44Å; P146-K149 PolarHBondContact O-N 3.42Å; D147-K149 PolarHBondContact O-N 3.41Å; K149-K151 VanDerWaalsContact C-N 3.34Å; K149-K152 PolarHBondContact O-N 3.05Å; K149-Y153 VanDerWaalsContact O-CD2 3.25Å; K149-Y153 WeakPolarHBondContact O-CD2 3.44Å; K149-Y153 WeakPolarHBondContact O-CE2 3.26Å
150K90.2Very high90.2Very high44 Ų4489.3 Ų89.319%0.19141%0.409CS..Hα-helixtrans-59.7-44.4172.4-66.8177.4177.7132.70111.3Y142 R143 L145 P146 D147 K152 Y153 V154Y142-K150 HydrophobicContact CE2-CG 4.5Å; Y142-K150 WeakPolarHBondContact O-CE 3.23Å; R143-K150 WeakPolarHBondContact O-CE 3.45Å; R143-K150 PolarHBondContact O-NZ 2.57Å; L145-K150 HydrophobicContact CB-CD 4.49Å; L145-K150 HydrophobicContact CB-CG 3.75Å; L145-K150 WeakPolarHBondContact O-CE 3.4Å; L145-K150 PolarHBondContact O-NZ 2.88Å; P146-K150 PolarHBondContact O-N 2.69Å; P146-K150 VanDerWaalsContact O-N 3.09Å; D147-K150 PolarHBondContact O-N 2.73Å; D147-K150 IonicContact OD1-NZ 3.73Å; D147-K150 PolarHBondContact OD1-NZ 2.95Å; K150-K152 PolarHBondContact O-N 2.81Å; K150-K152 VanDerWaalsContact O-N 3.14Å; K150-Y153 PolarHBondContact O-N 3.44Å; K150-V154 PolarHBondContact O-N 2.93Å
151K90.8Very high90Very high122 Ų12288.4 Ų88.453%0.5341%0.405SS..Hα-helixtrans-51.8-38.6-179.6178.2166.9178.4172.50112.9D147 K149 Y153 V154 D155D147-K151 VanDerWaalsContact O-CB 3.27Å; D147-K151 WeakPolarHBondContact O-CB 3.41Å; D147-K151 PolarHBondContact O-N 3.18Å; K149-K151 VanDerWaalsContact C-N 3.34Å; K151-Y153 VanDerWaalsContact C-N 3.33Å; K151-Y153 PolarHBondContact O-N 3.37Å; K151-V154 CarbonylContact O-C 3.59Å; K151-V154 WeakPolarHBondContact O-CA 3.24Å; K151-V154 WeakPolarHBondContact O-CB 3.4Å; K151-V154 PolarHBondContact O-N 3.39Å; K151-D155 VanDerWaalsContact CE-OD1 3.25Å; K151-D155 WeakPolarHBondContact CE-OD1 3.32Å; K151-D155 WeakPolarHBondContact CE-OD2 2.92Å; K151-D155 WeakPolarHBondContact CG-OD2 3.36Å; K151-D155 PolarHBondContact O-N 3.23Å
152K93.3Very high89.9Confident108 Ų10890.2 Ų90.247%0.4742%0.415SS..Hα-helixtrans-55.2-46.5175.6-170.7-118.7172-151.60112.3K149 K150 V154 D156K149-K152 PolarHBondContact O-N 3.05Å; K150-K152 PolarHBondContact O-N 2.81Å; K150-K152 VanDerWaalsContact O-N 3.14Å; K152-V154 VanDerWaalsContact C-N 3.32Å; K152-V154 PolarHBondContact O-N 3.25Å; K152-D156 WeakPolarHBondContact CE-OD2 3.36Å; K152-D156 IonicContact NZ-OD2 2.67Å; K152-D156 PolarHBondContact NZ-OD2 2.91Å; K152-D156 VanDerWaalsContact O-CB 3.28Å; K152-D156 WeakPolarHBondContact O-CB 3.3Å; K152-D156 PolarHBondContact O-N 3.34Å
153Y91.6Very high89.8Confident18 Ų1891.4 Ų91.47%0.07143%0.427CS..Hα-helixtrans-73-24178.1-50.6-83.6000112.8R113 F114 L145 K149 K150 K151 F157R113-Y153 HydrophobicContact CB-CD1 4.43Å; R113-Y153 HydrophobicContact CG-CD1 4.38Å; F114-Y153 HydrophobicContact CB-CD1 4.25Å; F114-Y153 HydrophobicContact CB-CE1 4.11Å; F114-Y153 HydrophobicContact CB-CE2 4.41Å; F114-Y153 HydrophobicContact CB-CG 4.47Å; F114-Y153 HydrophobicContact CD2-CE1 4.48Å; F114-Y153 HydrophobicContact CD2-CE2 4.12Å; F114-Y153 AromaticContact CD2-CZ 3.85Å; L145-Y153 HydrophobicContact CD1-CE2 4.22Å; K149-Y153 VanDerWaalsContact O-CD2 3.25Å; K149-Y153 WeakPolarHBondContact O-CD2 3.44Å; K149-Y153 WeakPolarHBondContact O-CE2 3.26Å; K150-Y153 PolarHBondContact O-N 3.44Å; K151-Y153 VanDerWaalsContact C-N 3.33Å; K151-Y153 PolarHBondContact O-N 3.37Å; Y153-F157 VanDerWaalsContact O-CB 3.26Å; Y153-F157 WeakPolarHBondContact O-CB 3.32Å; Y153-F157 PolarHBondContact O-N 2.83Å
154V87.9Confident89.7Confident54 Ų5484.9 Ų84.933%0.32740%0.403SS..Hα-helixtrans-72.2-49.7171.8179.10000111P110 K150 K151 K152 D156 F157 L158P110-V154 HydrophobicContact CB-CG2 4.04Å; P110-V154 HydrophobicContact CG-CB 4.41Å; P110-V154 HydrophobicContact CG-CG2 3.93Å; K150-V154 PolarHBondContact O-N 2.93Å; K151-V154 CarbonylContact O-C 3.59Å; K151-V154 WeakPolarHBondContact O-CA 3.24Å; K151-V154 WeakPolarHBondContact O-CB 3.4Å; K151-V154 PolarHBondContact O-N 3.39Å; K152-V154 VanDerWaalsContact C-N 3.32Å; K152-V154 PolarHBondContact O-N 3.25Å; V154-D156 VanDerWaalsContact C-N 3.34Å; V154-D156 PolarHBondContact O-N 2.86Å; V154-F157 PolarHBondContact O-N 3Å; V154-L158 HydrophobicContact CG1-CD1 4.23Å; V154-L158 WeakPolarHBondContact O-CG 3.4Å; V154-L158 PolarHBondContact O-N 3.27Å
155D90.5Very high89.3Confident70 Ų7083.3 Ų83.337%0.37440%0.4SS..Hα-helixtrans-63.5-40.4177.6-63.3-15000110.8K151 L158 R159K151-D155 VanDerWaalsContact CE-OD1 3.25Å; K151-D155 WeakPolarHBondContact CE-OD1 3.32Å; K151-D155 WeakPolarHBondContact CE-OD2 2.92Å; K151-D155 WeakPolarHBondContact CG-OD2 3.36Å; K151-D155 PolarHBondContact O-N 3.23Å; D155-L158 PolarHBondContact O-N 3.08Å; D155-R159 PolarHBondContact O-N 3.32Å; D155-R159 VanDerWaalsContact O-N 3.14Å
156D90.1Very high89.1Confident28 Ų2887 Ų8715%0.1542%0.417CS..Hα-helixtrans-61.4-42.2172.2-72.1-18.4000111.5R113 K152 V154 D160R113-D156 IonicContact NE-OD2 3.71Å; K152-D156 WeakPolarHBondContact CE-OD2 3.36Å; K152-D156 IonicContact NZ-OD2 2.67Å; K152-D156 PolarHBondContact NZ-OD2 2.91Å; K152-D156 VanDerWaalsContact O-CB 3.28Å; K152-D156 WeakPolarHBondContact O-CB 3.3Å; K152-D156 PolarHBondContact O-N 3.34Å; V154-D156 VanDerWaalsContact C-N 3.34Å; V154-D156 PolarHBondContact O-N 2.86Å; D156-D160 PolarHBondContact O-N 2.99Å; D156-D160 VanDerWaalsContact O-N 3.08Å
157F91.4Very high88.9Confident47 Ų4786.1 Ų86.121%0.20641%0.412CS..Hα-helixtrans-67.5-39.2176.8166.7-110.6000112.9P107 L108 P110 Y153 V154 R159 D160 K161P107-F157 HydrophobicContact CB-CD2 4.14Å; P107-F157 HydrophobicContact CB-CE2 4.22Å; P107-F157 HydrophobicContact CG-CD2 4.29Å; P107-F157 HydrophobicContact CG-CE2 3.9Å; L108-F157 VanDerWaalsContact O-CD2 3.24Å; L108-F157 WeakPolarHBondContact O-CD2 3.49Å; P110-F157 HydrophobicContact CG-CB 3.87Å; P110-F157 HydrophobicContact CG-CD1 4.05Å; P110-F157 HydrophobicContact CG-CG 4.08Å; Y153-F157 VanDerWaalsContact O-CB 3.26Å; Y153-F157 WeakPolarHBondContact O-CB 3.32Å; Y153-F157 PolarHBondContact O-N 2.83Å; V154-F157 PolarHBondContact O-N 3Å; F157-R159 VanDerWaalsContact C-N 3.33Å; F157-R159 PolarHBondContact O-N 3.44Å; F157-D160 PolarHBondContact O-N 3.13Å; F157-K161 VanDerWaalsContact O-CB 3.24Å; F157-K161 WeakPolarHBondContact O-CB 3.42Å; F157-K161 PolarHBondContact O-N 3.43Å
158L87.1Confident88.7Confident93 Ų9381.8 Ų81.849%0.48739%0.389SS..Hα-helixtrans-63.8-39.9177.1-71.8172.3000111.4V154 D155 K161 E162V154-L158 HydrophobicContact CG1-CD1 4.23Å; V154-L158 WeakPolarHBondContact O-CG 3.4Å; V154-L158 PolarHBondContact O-N 3.27Å; D155-L158 PolarHBondContact O-N 3.08Å; L158-K161 PolarHBondContact O-N 2.96Å; L158-E162 PolarHBondContact O-N 3.29Å
159R92.1Very high88.4Confident157 Ų15777.5 Ų77.559%0.59237%0.373SS*.Hα-helixtrans-64-48.3174-171.5-174.9-55.7171.67.9112.1D155 F157 K161 E162 T163D155-R159 PolarHBondContact O-N 3.32Å; D155-R159 VanDerWaalsContact O-N 3.14Å; F157-R159 VanDerWaalsContact C-N 3.33Å; F157-R159 PolarHBondContact O-N 3.44Å; R159-K161 PolarHBondContact O-N 3.1Å; R159-E162 WeakPolarHBondContact O-CB 3.38Å; R159-E162 PolarHBondContact O-N 3.02Å; R159-E162 VanDerWaalsContact O-N 3.12Å; R159-T163 PolarHBondContact O-N 3.09Å; R159-T163 PolarHBondContact O-OG1 3.18Å
160D89.8Confident88.3Confident49 Ų4977 Ų7726%0.26237%0.371SS..Hα-helixtrans-67.5-25.5179-73.515.7000112.2P107 R113 D156 F157 T163 F164P107-D160 HydrophobicContact CB-CB 3.78Å; R113-D160 IonicContact CZ-OD2 2.82Å; R113-D160 IonicContact NH1-OD2 2.75Å; R113-D160 PolarHBondContact NH1-OD2 3.06Å; R113-D160 IonicContact NH2-OD1 2.7Å; R113-D160 PolarHBondContact NH2-OD1 3.49Å; R113-D160 IonicContact NH2-OD2 3.27Å; R113-D160 PolarHBondContact NH2-OD2 3.37Å; D156-D160 PolarHBondContact O-N 2.99Å; D156-D160 VanDerWaalsContact O-N 3.08Å; F157-D160 PolarHBondContact O-N 3.13Å; D160-T163 WeakPolarHBondContact CA-OG1 3.47Å; D160-T163 PolarHBondContact O-OG1 3.37Å; D160-F164 WeakPolarHBondContact O-CB 3.48Å; D160-F164 PolarHBondContact O-N 3.23Å
161K85.3Confident88.1Confident109 Ų10975 Ų7547%0.47436%0.363SS..Hα-helixtrans-71-37.8170.8-178.3179.7176.8-179.80112.1P107 F157 L158 R159 V165P107-K161 HydrophobicContact CG-CB 4.11Å; F157-K161 VanDerWaalsContact O-CB 3.24Å; F157-K161 WeakPolarHBondContact O-CB 3.42Å; F157-K161 PolarHBondContact O-N 3.43Å; L158-K161 PolarHBondContact O-N 2.96Å; R159-K161 PolarHBondContact O-N 3.1Å; K161-V165 WeakPolarHBondContact O-CG2 3.14Å; K161-V165 PolarHBondContact O-N 3.44Å
162E87.7Confident87.6Confident121 Ų12175.8 Ų75.857%0.56536%0.362SS*.Hα-helixtrans-66.4-47.9173.7-177.5173.3-158.500111.4L158 R159 F164 V165 Q166L158-E162 PolarHBondContact O-N 3.29Å; R159-E162 WeakPolarHBondContact O-CB 3.38Å; R159-E162 PolarHBondContact O-N 3.02Å; R159-E162 VanDerWaalsContact O-N 3.12Å; E162-F164 PolarHBondContact O-N 2.92Å; E162-V165 PolarHBondContact O-N 2.87Å; E162-V165 VanDerWaalsContact O-N 3.16Å; E162-Q166 WeakPolarHBondContact O-CG 3.5Å; E162-Q166 PolarHBondContact O-N 2.83Å
163T89.2Confident87.1Confident65 Ų6577.9 Ų77.940%0.39937%0.373SS..Hα-helixtrans-65.8-37.2176.559.80000112R159 D160 V165 Q166 S167R159-T163 PolarHBondContact O-N 3.09Å; R159-T163 PolarHBondContact O-OG1 3.18Å; D160-T163 WeakPolarHBondContact CA-OG1 3.47Å; D160-T163 PolarHBondContact O-OG1 3.37Å; T163-V165 VanDerWaalsContact C-N 3.34Å; T163-V165 PolarHBondContact O-N 3.05Å; T163-Q166 PolarHBondContact O-N 3.47Å; T163-S167 PolarHBondContact O-N 3.06Å; T163-S167 PolarHBondContact O-OG 3.01Å
164F87.9Confident86.7Confident50 Ų5082.7 Ų82.722%0.21940%0.397CS..Hα-helixtrans-57.9-43.7170.3169.6-98.6000112.2P104 K105 P107 D160 E162 M168P104-F164 HydrophobicContact CB-CD2 3.71Å; P104-F164 HydrophobicContact CB-CE2 3.8Å; P104-F164 WeakPolarHBondContact O-CE2 3.21Å; K105-F164 WeakPolarHBondContact O-CD2 3.44Å; P107-F164 HydrophobicContact CG-CB 4.44Å; D160-F164 WeakPolarHBondContact O-CB 3.48Å; D160-F164 PolarHBondContact O-N 3.23Å; E162-F164 PolarHBondContact O-N 2.92Å; F164-M168 WeakPolarHBondContact O-CB 3.32Å; F164-M168 PolarHBondContact O-N 3.23Å
165V82.3Confident86.4Confident66 Ų6682.2 Ų82.240%0.439%0.391SS..Hα-helixtrans-63.5-42.9176.21670000111.3K161 E162 T163 M168 M169K161-V165 WeakPolarHBondContact O-CG2 3.14Å; K161-V165 PolarHBondContact O-N 3.44Å; E162-V165 PolarHBondContact O-N 2.87Å; E162-V165 VanDerWaalsContact O-N 3.16Å; T163-V165 VanDerWaalsContact C-N 3.34Å; T163-V165 PolarHBondContact O-N 3.05Å; V165-M168 PolarHBondContact O-N 3.44Å; V165-M169 HydrophobicContact CG1-CE 3.95Å; V165-M169 HydrophobicContact CG1-SD 4.41Å; V165-M169 WeakPolarHBondContact O-CG 3.48Å; V165-M169 PolarHBondContact O-N 3.44Å
166Q86.4Confident85.8Confident105 Ų10582.4 Ų82.449%0.49140%0.396SS..Hα-helixtrans-64.7-46.3177.7-67.4175.313.400112.1E162 T163 M168 M169 K170E162-Q166 WeakPolarHBondContact O-CG 3.5Å; E162-Q166 PolarHBondContact O-N 2.83Å; T163-Q166 PolarHBondContact O-N 3.47Å; Q166-M168 VanDerWaalsContact C-N 3.3Å; Q166-M168 PolarHBondContact O-N 3.37Å; Q166-M169 WeakPolarHBondContact O-CB 3.47Å; Q166-M169 PolarHBondContact O-N 3.04Å; Q166-M169 VanDerWaalsContact O-N 3.16Å; Q166-K170 PolarHBondContact O-N 2.82Å
167S87.9Confident84.9Confident59 Ų5986.3 Ų86.341%0.41342%0.417SS..Hα-helixtrans-65-33.3174.8-60.90000112.3T163 M169 K170 F171T163-S167 PolarHBondContact O-N 3.06Å; T163-S167 PolarHBondContact O-OG 3.01Å; S167-M169 VanDerWaalsContact C-N 3.32Å; S167-K170 PolarHBondContact O-N 2.88Å; S167-F171 WeakPolarHBondContact O-CB 3.45Å; S167-F171 PolarHBondContact O-N 2.97Å
168M82.9Confident84Confident24 Ų2484.7 Ų84.712%0.11841%0.41CS..Hα-helixtrans-73.4-22.5174.9-16772.4-124.500112.6F103 P104 F164 V165 Q166 F171 R172 M179F103-M168 HydrophobicContact CE2-CE 4.27Å; P104-M168 HydrophobicContact CG-CB 4.28Å; P104-M168 HydrophobicContact CG-SD 4.21Å; F164-M168 WeakPolarHBondContact O-CB 3.32Å; F164-M168 PolarHBondContact O-N 3.23Å; V165-M168 PolarHBondContact O-N 3.44Å; Q166-M168 VanDerWaalsContact C-N 3.3Å; Q166-M168 PolarHBondContact O-N 3.37Å; M168-F171 HydrophobicContact CE-CD1 3.66Å; M168-F171 HydrophobicContact CE-CE1 4.41Å; M168-F171 HydrophobicContact CE-CG 4.45Å; M168-R172 HydrophobicContact CE-CG 4.25Å; M168-R172 WeakPolarHBondContact O-CD 3.3Å; M168-R172 WeakPolarHBondContact O-CG 3.29Å; M168-R172 PolarHBondContact O-NE 3.47Å; M168-M179 HydrophobicContact CE-SD 4.07Å
169M83.3Confident83.1Confident108 Ų10881.2 Ų81.253%0.53239%0.392SS..Hα-helixtrans-72.3-50.7167-72.8173.2173.900110.5V165 Q166 S167 F171 R172 E173V165-M169 HydrophobicContact CG1-CE 3.95Å; V165-M169 HydrophobicContact CG1-SD 4.41Å; V165-M169 WeakPolarHBondContact O-CG 3.48Å; V165-M169 PolarHBondContact O-N 3.44Å; Q166-M169 WeakPolarHBondContact O-CB 3.47Å; Q166-M169 PolarHBondContact O-N 3.04Å; Q166-M169 VanDerWaalsContact O-N 3.16Å; S167-M169 VanDerWaalsContact C-N 3.32Å; M169-F171 PolarHBondContact O-N 3.15Å; M169-R172 WeakPolarHBondContact O-CA 3.31Å; M169-R172 WeakPolarHBondContact O-CB 3.45Å; M169-R172 PolarHBondContact O-N 3.43Å; M169-E173 PolarHBondContact O-N 3.49Å
170K86.6Confident81.6Confident121 Ų12179 Ų7953%0.52639%0.388SS..Hα-helixtrans-55.7-47.9176-69.7-168.5173.7-163.50113.1Q166 S167 R172 E173 E174Q166-K170 PolarHBondContact O-N 2.82Å; S167-K170 PolarHBondContact O-N 2.88Å; K170-R172 PolarHBondContact O-N 3.15Å; K170-R172 VanDerWaalsContact O-N 3.08Å; K170-E173 CarbonylContact O-C 3.52Å; K170-E173 WeakPolarHBondContact O-CA 3.19Å; K170-E173 WeakPolarHBondContact O-CB 3.36Å; K170-E173 PolarHBondContact O-N 2.89Å; K170-E174 WeakPolarHBondContact O-CB 3.4Å; K170-E174 WeakPolarHBondContact O-CG 3.38Å; K170-E174 PolarHBondContact O-N 2.92Å
171F85.4Confident79.8Confident2 Ų278.3 Ų78.31%0.00939%0.387CS..Hα-helixtrans-57.4-27.9176.4-174.9-91.2000113.3L97 H100 D102 F103 P104 S167 M168 M169 H175 L178L97-F171 HydrophobicContact CD1-CE1 4.05Å; L97-F171 HydrophobicContact CD1-CZ 3.82Å; H100-F171 HydrophobicContact CB-CE2 4.43Å; H100-F171 HydrophobicContact CB-CZ 4.46Å; H100-F171 AromaticContact ND1-CE2 3.67Å; D102-F171 HydrophobicContact CB-CD2 4.26Å; D102-F171 HydrophobicContact CB-CE2 4.44Å; D102-F171 WeakPolarHBondContact O-CD2 3.49Å; F103-F171 HydrophobicContact CB-CE2 4.24Å; F103-F171 HydrophobicContact CB-CZ 4.36Å; F103-F171 HydrophobicContact CD2-CD1 4.29Å; F103-F171 AromaticContact CD2-CE1 3.75Å; F103-F171 HydrophobicContact CD2-CE1 3.75Å; F103-F171 HydrophobicContact CD2-CE2 4.44Å; F103-F171 AromaticContact CD2-CZ 3.85Å; F103-F171 HydrophobicContact CD2-CZ 3.85Å; F103-F171 HydrophobicContact CE2-CE1 4.3Å; P104-F171 HydrophobicContact CG-CB 4.24Å; S167-F171 WeakPolarHBondContact O-CB 3.45Å; S167-F171 PolarHBondContact O-N 2.97Å; M168-F171 HydrophobicContact CE-CD1 3.66Å; M168-F171 HydrophobicContact CE-CE1 4.41Å; M168-F171 HydrophobicContact CE-CG 4.45Å; M169-F171 PolarHBondContact O-N 3.15Å; F171-H175 AromaticContact CD2-CD2 3.43Å; F171-H175 VanDerWaalsContact CD2-CD2 3.43Å; F171-H175 WeakPolarHBondContact CD2-CD2 3.42Å; F171-H175 HydrophobicContact CE1-CB 4.45Å; F171-H175 HydrophobicContact CE2-CB 4.39Å; F171-H175 AromaticContact CE2-CD2 3.39Å; F171-H175 WeakPolarHBondContact CE2-CD2 3.28Å; F171-H175 HydrophobicContact CZ-CB 4.22Å; F171-H175 WeakPolarHBondContact O-CB 3.14Å; F171-H175 PolarHBondContact O-N 3.4Å; F171-H175 VanDerWaalsContact O-N 3.09Å; F171-L178 HydrophobicContact CZ-CD1 4.47Å
172R80.3Confident78.2Confident138 Ų13878.4 Ų78.452%0.52139%0.391SS..Hα-helixtrans-78.2-29.4174.6-69.2163.5178.2-146.9-3.1113.4M168 M169 K170 M179M168-R172 HydrophobicContact CE-CG 4.25Å; M168-R172 WeakPolarHBondContact O-CD 3.3Å; M168-R172 WeakPolarHBondContact O-CG 3.29Å; M168-R172 PolarHBondContact O-NE 3.47Å; M169-R172 WeakPolarHBondContact O-CA 3.31Å; M169-R172 WeakPolarHBondContact O-CB 3.45Å; M169-R172 PolarHBondContact O-N 3.43Å; K170-R172 PolarHBondContact O-N 3.15Å; K170-R172 VanDerWaalsContact O-N 3.08Å; R172-M179 HydrophobicContact CB-CG 4.26Å; R172-M179 HydrophobicContact CG-CE 3.95Å; R172-M179 HydrophobicContact CG-CG 3.77Å; R172-M179 HydrophobicContact CG-SD 3.9Å
173E82.4Confident76.3Confident151 Ų15174.5 Ų74.571%0.70638%0.375SS*.Hα-helixtrans-80.7-38.4177.3-66.2168.3176.500110.9M169 K170M169-E173 PolarHBondContact O-N 3.49Å; K170-E173 CarbonylContact O-C 3.52Å; K170-E173 WeakPolarHBondContact O-CA 3.19Å; K170-E173 WeakPolarHBondContact O-CB 3.36Å; K170-E173 PolarHBondContact O-N 2.89Å
174E84.4Confident74.4Confident119 Ų11978.5 Ų78.556%0.55639%0.387SS*.Hα-helixtrans-83-28.9-177.2-67.7161.6169.700112.8K170 P176K170-E174 WeakPolarHBondContact O-CB 3.4Å; K170-E174 WeakPolarHBondContact O-CG 3.38Å; K170-E174 PolarHBondContact O-N 2.92Å; E174-P176 VanDerWaalsContact C-CD 3.48Å
175H81.9Confident72.5Confident45 Ų4584.3 Ų84.321%0.20841%0.412CS..  trans-128.161.3-179.6-54.4-77.9000113.9H100 F171 D177 L178 M179H100-H175 AromaticContact CE1-CE1 3.35Å; H100-H175 PolarHBondContact CE1-CE1 3.15Å; H100-H175 AromaticContact CE1-ND1 3.95Å; H100-H175 AromaticContact CE1-NE2 3.44Å; H100-H175 PolarHBondContact CE1-NE2 3.25Å; H100-H175 AromaticContact NE2-CE1 3.51Å; H100-H175 AromaticContact NE2-ND1 3.74Å; H100-H175 AromaticContact NE2-NE2 4Å; F171-H175 AromaticContact CD2-CD2 3.43Å; F171-H175 VanDerWaalsContact CD2-CD2 3.43Å; F171-H175 WeakPolarHBondContact CD2-CD2 3.42Å; F171-H175 HydrophobicContact CE1-CB 4.45Å; F171-H175 HydrophobicContact CE2-CB 4.39Å; F171-H175 AromaticContact CE2-CD2 3.39Å; F171-H175 WeakPolarHBondContact CE2-CD2 3.28Å; F171-H175 HydrophobicContact CZ-CB 4.22Å; F171-H175 WeakPolarHBondContact O-CB 3.14Å; F171-H175 PolarHBondContact O-N 3.4Å; F171-H175 VanDerWaalsContact O-N 3.09Å; H175-D177 PolarHBondContact O-N 2.98Å; H175-L178 HydrophobicContact CB-CB 4.23Å; H175-L178 HydrophobicContact CB-CD1 4.13Å; H175-L178 HydrophobicContact CB-CG 4.4Å; H175-L178 PolarHBondContact O-N 3.22Å; H175-M179 PolarHBondContact O-N 3.26Å; H175-M179 VanDerWaalsContact O-N 3.13Å
176P77.5Confident70.9Confident74 Ų7483.5 Ų83.548%0.48142%0.417SS..Hα-helixtrans-60.1-41.6-17724.3-34.1000113.2E174 L178 M179 E180E174-P176 VanDerWaalsContact C-CD 3.48Å; P176-L178 PolarHBondContact O-N 3.16Å; P176-M179 CarbonylContact O-C 3.59Å; P176-M179 WeakPolarHBondContact O-CA 3.41Å; P176-M179 WeakPolarHBondContact O-CB 3.17Å; P176-M179 PolarHBondContact O-N 3.37Å; P176-M179 VanDerWaalsContact O-N 3.12Å; P176-E180 PolarHBondContact O-N 2.82Å
177D71.1Confident69.2Low110 Ų11081.8 Ų81.859%0.58842%0.416SS*.Hα-helixtrans-66-35.9-177.3-62.1-29.8000113.1H175H175-D177 PolarHBondContact O-N 2.98Å
178L72.7Confident67.7Low13 Ų1385.2 Ų85.27%0.06843%0.43CS..Hα-helixtrans-69.1-39.7173.4-66-176.2000110.6N90 L97 H100 F171 H175 P176 S181N90-L178 HydrophobicContact CB-CD2 4.18Å; L97-L178 HydrophobicContact CD1-CB 3.83Å; L97-L178 HydrophobicContact CD1-CD1 4.09Å; L97-L178 HydrophobicContact CD1-CG 4.45Å; H100-L178 VanDerWaalsContact CD2-CD1 3.43Å; H100-L178 WeakPolarHBondContact CD2-CD1 3.47Å; F171-L178 HydrophobicContact CZ-CD1 4.47Å; H175-L178 HydrophobicContact CB-CB 4.23Å; H175-L178 HydrophobicContact CB-CD1 4.13Å; H175-L178 HydrophobicContact CB-CG 4.4Å; H175-L178 PolarHBondContact O-N 3.22Å; P176-L178 PolarHBondContact O-N 3.16Å; L178-S181 WeakPolarHBondContact O-CB 3.41Å; L178-S181 PolarHBondContact O-N 3.47Å; L178-S181 PolarHBondContact O-OG 2.66Å
179M68.1Low66.9Low20 Ų2087.1 Ų87.110%0.09944%0.443CS..Hα-helixtrans-68.8-33.4175.1-90.4-61.9-53.400113.6M168 R172 H175 P176 S181 M182 T183M168-M179 HydrophobicContact CE-SD 4.07Å; R172-M179 HydrophobicContact CB-CG 4.26Å; R172-M179 HydrophobicContact CG-CE 3.95Å; R172-M179 HydrophobicContact CG-CG 3.77Å; R172-M179 HydrophobicContact CG-SD 3.9Å; H175-M179 PolarHBondContact O-N 3.26Å; H175-M179 VanDerWaalsContact O-N 3.13Å; P176-M179 CarbonylContact O-C 3.59Å; P176-M179 WeakPolarHBondContact O-CA 3.41Å; P176-M179 WeakPolarHBondContact O-CB 3.17Å; P176-M179 PolarHBondContact O-N 3.37Å; P176-M179 VanDerWaalsContact O-N 3.12Å; M179-S181 PolarHBondContact O-N 2.96Å; M179-M182 CarbonylContact O-C 3.6Å; M179-M182 WeakPolarHBondContact O-CA 3.24Å; M179-M182 WeakPolarHBondContact O-CB 3.39Å; M179-M182 PolarHBondContact O-N 3.46Å; M179-T183 HydrophobicContact CE-CG2 3.96Å; M179-T183 PolarHBondContact O-N 2.86Å
180E60.2Low66.4Low109 Ų10983.3 Ų83.351%0.50943%0.426SS..Hα-helixtrans-63-30.8176.4-161.9-171.6-130.400111.4P176 M182 T183 K184P176-E180 PolarHBondContact O-N 2.82Å; E180-M182 PolarHBondContact O-N 2.83Å; E180-T183 WeakPolarHBondContact CA-OG1 3.48Å; E180-T183 PolarHBondContact O-N 3.48Å; E180-K184 PolarHBondContact O-N 3.01Å
181S52.4Low65.9Low35 Ų3584 Ų8425%0.24543%0.431CS..Hα-helixtrans-61.9-29.5172.382.90000113.3L178 M179L178-S181 WeakPolarHBondContact O-CB 3.41Å; L178-S181 PolarHBondContact O-N 3.47Å; L178-S181 PolarHBondContact O-OG 2.66Å; M179-S181 PolarHBondContact O-N 2.96Å
182M51.5Low65.6Low112 Ų11292 Ų9255%0.55247%0.466SS*.Hα-helixtrans-81.6-42.8170-78.2-97.4-75.900112L97 M179 E180 K184 K185L97-M182 HydrophobicContact CD2-CG 3.7Å; M179-M182 CarbonylContact O-C 3.6Å; M179-M182 WeakPolarHBondContact O-CA 3.24Å; M179-M182 WeakPolarHBondContact O-CB 3.39Å; M179-M182 PolarHBondContact O-N 3.46Å; E180-M182 PolarHBondContact O-N 2.83Å; M182-K184 PolarHBondContact O-N 3.25Å; M182-K185 PolarHBondContact O-N 2.94Å; M182-K185 VanDerWaalsContact O-N 3.09Å
183T47.4Very low65.8Low39 Ų3986.7 Ų86.724%0.23945%0.449CS..Hα-helixtrans-77.32-17771.70000114.6M179 E180 K185 G186 S187M179-T183 HydrophobicContact CE-CG2 3.96Å; M179-T183 PolarHBondContact O-N 2.86Å; E180-T183 WeakPolarHBondContact CA-OG1 3.48Å; E180-T183 PolarHBondContact O-N 3.48Å; T183-K185 PolarHBondContact O-N 2.89Å; T183-G186 CarbonylContact O-C 3.55Å; T183-G186 VanDerWaalsContact O-C 3.29Å; T183-G186 WeakPolarHBondContact O-CA 3.44Å; T183-G186 PolarHBondContact O-N 3.34Å; T183-S187 WeakPolarHBondContact CB-OG 3.42Å; T183-S187 PolarHBondContact O-N 3.18Å; T183-S187 PolarHBondContact OG1-OG 2.91Å
184K49.4Very low66.1Low148 Ų14883 Ų8364%0.64343%0.431SS*.THydrogen-bonded Turntrans-61.8-13.7157.5-79176.8-178176.40113.9E180 M182E180-K184 PolarHBondContact O-N 3.01Å; M182-K184 PolarHBondContact O-N 3.25Å
185K49.1Very low66.5Low173 Ų17379.3 Ų79.375%0.75242%0.417SS*.THydrogen-bonded Turntrans-85.2-5.6161.8-102-172.6176.6-175.60113.6M182 T183 D705M182-K185 PolarHBondContact O-N 2.94Å; M182-K185 VanDerWaalsContact O-N 3.09Å; T183-K185 PolarHBondContact O-N 2.89Å; K185-D705 IonicContact NZ-OD1 3.24Å; K185-D705 PolarHBondContact NZ-OD1 2.9Å
186G48.4Very low67Low48 Ų4877.2 Ų77.250%0.49541%0.407SS..THydrogen-bonded Turntrans159.781.8168.100000119T183T183-G186 CarbonylContact O-C 3.55Å; T183-G186 VanDerWaalsContact O-C 3.29Å; T183-G186 WeakPolarHBondContact O-CA 3.44Å; T183-G186 PolarHBondContact O-N 3.34Å
187S51.1Low67.7Low69 Ų6978 Ų7848%0.48340%0.404SS..SBendtrans-135.48.5158.568.10000116.3T183T183-S187 WeakPolarHBondContact CB-OG 3.42Å; T183-S187 PolarHBondContact O-N 3.18Å; T183-S187 PolarHBondContact OG1-OG 2.91Å
188N55.3Low68.6Low132 Ų13277.1 Ų77.171%0.70640%0.397SS*.SBendtrans-168.3-25.4163.9-103.3-25.6000112.8P190 Y257N188-P190 WeakPolarHBondContact O-CD 3.04Å; N188-Y257 HydrophobicContact CB-CE2 4.18Å
189V65.7Low69.5Low63 Ų6377.4 Ų77.438%0.38240%0.398SS..SBendtrans-67.4127.3169-174.20000109.4M254 Y257V189-M254 HydrophobicContact CG1-SD 4.3Å; V189-Y257 HydrophobicContact CG2-CE1 3.95Å
190P72.9Confident70.8Confident29 Ų2976.8 Ų76.819%0.18840%0.395CS..PPolyproline II helixtrans-54.3140.9173.8-28.935.3000114.2N188 Y250 A253 M254N188-P190 WeakPolarHBondContact O-CD 3.04Å; P190-Y250 HydrophobicContact CB-CD2 3.85Å; P190-Y250 HydrophobicContact CB-CE2 4.12Å; P190-A253 HydrophobicContact CB-CB 4.07Å; P190-A253 HydrophobicContact CG-CB 3.72Å; P190-M254 HydrophobicContact CB-CG 4.28Å; P190-M254 HydrophobicContact CB-SD 4.05Å; P190-M254 HydrophobicContact CG-CG 4.24Å; P190-M254 HydrophobicContact CG-SD 3.83Å
191E77.1Confident72.4Confident135 Ų13574.1 Ų74.163%0.63138%0.38SS*.PPolyproline II helixtrans-63.5135.7174.1-84.7-164.7-179.400112K194 Y250E191-K194 IonicContact OE1-NZ 3.37Å; E191-K194 IonicContact OE2-NZ 3.1Å; E191-K194 PolarHBondContact OE2-NZ 3.33Å; E191-Y250 WeakPolarHBondContact O-CD2 3.46Å
192K78.7Confident74.2Confident171 Ų17176.4 Ų76.474%0.74339%0.39SS*.PPolyproline II helixtrans-57.8137.5171.9-67173.8-174.71650110.9
193P84.9Confident76.1Confident25 Ų2575.8 Ų75.816%0.16239%0.385CS..PPolyproline II helixtrans-70.2137.1-175.928.8-34.4000111.3Q246 Q247 Y250 T275P193-Q246 HydrophobicContact CB-CB 4.26Å; P193-Q247 HydrophobicContact CB-CB 4.17Å; P193-Q247 HydrophobicContact CG-CB 4.13Å; P193-Q247 HydrophobicContact CG-CG 4.1Å; P193-Y250 HydrophobicContact CG-CD1 3.97Å; P193-Y250 HydrophobicContact CG-CG 4.17Å; P193-T275 HydrophobicContact CB-CG2 3.89Å; P193-T275 HydrophobicContact CG-CG2 3.61Å
194K89.1Confident78.3Confident73 Ų7376.2 Ų76.232%0.31739%0.385SS..PPolyproline II helixtrans-82.4143-173.1-75147-179.5159.10111.2E191 Q198 L199 S243E191-K194 IonicContact OE1-NZ 3.37Å; E191-K194 IonicContact OE2-NZ 3.1Å; E191-K194 PolarHBondContact OE2-NZ 3.33Å; K194-Q198 HydrophobicContact CB-CB 4.21Å; K194-L199 HydrophobicContact CB-CD2 3.9Å; K194-L199 HydrophobicContact CB-CG 3.94Å; K194-S243 WeakPolarHBondContact O-CB 3.47Å; K194-S243 PolarHBondContact O-OG 2.94Å
195T91.1Very high80.2Confident43 Ų4371.9 Ų71.926%0.26437%0.366SS..PPolyproline II helixtrans-66.9162.1-179.173.30000111.5Q197 Q198 L199T195-Q197 VanDerWaalsContact C-N 3.28Å; T195-Q197 PolarHBondContact O-N 2.97Å; T195-Q198 PolarHBondContact O-N 3.49Å; T195-Q198 VanDerWaalsContact O-N 3.14Å; T195-Q198 WeakPolarHBondContact OG1-CB 3.48Å; T195-Q198 VanDerWaalsContact OG1-CG 3.29Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.48Å; T195-Q198 PolarHBondContact OG1-N 3.32Å; T195-Q198 VanDerWaalsContact OG1-N 3.15Å; T195-L199 WeakPolarHBondContact O-CG 3.48Å; T195-L199 PolarHBondContact O-N 2.6Å
196P92.6Very high82.2Confident0 Ų071.6 Ų71.60%037%0.365CS..Hα-helixtrans-58.8-41.4178.6-22.433.9000112.2L199 W200 W228 W239 I240 L276 E280P196-L199 PolarHBondContact O-N 2.66Å; P196-W200 WeakPolarHBondContact O-CB 3.27Å; P196-W200 PolarHBondContact O-N 2.83Å; P196-W228 HydrophobicContact CB-CH2 4.02Å; P196-W228 HydrophobicContact CB-CZ2 4.43Å; P196-W239 HydrophobicContact CB-CB 4Å; P196-I240 HydrophobicContact CB-CG1 3.97Å; P196-I240 HydrophobicContact CG-CB 4.44Å; P196-I240 HydrophobicContact CG-CG1 3.9Å; P196-L276 HydrophobicContact CG-CD2 3.41Å; P196-L276 VanDerWaalsContact CG-CD2 3.41Å; P196-E280 VanDerWaalsContact CB-OE1 3.28Å; P196-E280 WeakPolarHBondContact CB-OE1 3.37Å; P196-E280 WeakPolarHBondContact CD-OE1 3.47Å; P196-E280 VanDerWaalsContact CG-OE1 3.25Å; P196-E280 WeakPolarHBondContact CG-OE1 3.41Å
197Q92.3Very high84.1Confident90 Ų9071.5 Ų71.542%0.42136%0.359SS..Hα-helixtrans-62-44.7174.1-174.21730.400112.1T195 L199 W200 Y201 W228T195-Q197 VanDerWaalsContact C-N 3.28Å; T195-Q197 PolarHBondContact O-N 2.97Å; Q197-L199 PolarHBondContact O-N 3.29Å; Q197-W200 PolarHBondContact O-N 2.85Å; Q197-Y201 WeakPolarHBondContact O-CB 3.29Å; Q197-Y201 PolarHBondContact O-N 2.71Å; Q197-W228 HydrophobicContact CB-CD2 4.09Å; Q197-W228 HydrophobicContact CB-CH2 4.29Å; Q197-W228 HydrophobicContact CB-CZ2 3.68Å; Q197-W228 HydrophobicContact CG-CD2 3.83Å; Q197-W228 HydrophobicContact CG-CG 3.85Å; Q197-W228 HydrophobicContact CG-CZ2 4.34Å
198Q90.9Very high85.8Confident93 Ų9370.1 Ų70.144%0.43535%0.345SS..Hα-helixtrans-63.7-39.4176.8-75.2169.7-14.400112K194 T195 N202K194-Q198 HydrophobicContact CB-CB 4.21Å; T195-Q198 PolarHBondContact O-N 3.49Å; T195-Q198 VanDerWaalsContact O-N 3.14Å; T195-Q198 WeakPolarHBondContact OG1-CB 3.48Å; T195-Q198 VanDerWaalsContact OG1-CG 3.29Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.48Å; T195-Q198 PolarHBondContact OG1-N 3.32Å; T195-Q198 VanDerWaalsContact OG1-N 3.15Å; Q198-N202 VanDerWaalsContact O-CB 3.31Å; Q198-N202 WeakPolarHBondContact O-CB 3.47Å; Q198-N202 PolarHBondContact O-N 2.93Å; Q198-N202 PolarHBondContact O-ND2 2.83Å
199L92.1Very high87.4Confident18 Ų1867.6 Ų67.69%0.09433%0.331CS..Hα-helixtrans-68.5-39178.8-73.9175.2000112.7K194 T195 P196 Q197 H203 W239 K242K194-L199 HydrophobicContact CB-CD2 3.9Å; K194-L199 HydrophobicContact CB-CG 3.94Å; T195-L199 WeakPolarHBondContact O-CG 3.48Å; T195-L199 PolarHBondContact O-N 2.6Å; P196-L199 PolarHBondContact O-N 2.66Å; Q197-L199 PolarHBondContact O-N 3.29Å; L199-H203 PolarHBondContact O-N 3.45Å; L199-W239 HydrophobicContact CB-CE3 3.84Å; L199-W239 HydrophobicContact CB-CZ3 4.25Å; L199-W239 WeakPolarHBondContact O-CZ3 3.33Å; L199-K242 HydrophobicContact CD1-CB 4.39Å; L199-K242 HydrophobicContact CD1-CG 4.23Å
200W94.5Very high88.5Confident7 Ų773.3 Ų73.33%0.02735%0.35CS..Hα-helixtrans-68.5-47.8172.4174.969.8000111.7P196 Q197 N202 H203 E204 L224 Q227 W228 L231 W239P196-W200 WeakPolarHBondContact O-CB 3.27Å; P196-W200 PolarHBondContact O-N 2.83Å; Q197-W200 PolarHBondContact O-N 2.85Å; W200-N202 VanDerWaalsContact C-N 3.34Å; W200-N202 PolarHBondContact O-N 3.23Å; W200-H203 WeakPolarHBondContact O-CA 3.16Å; W200-H203 WeakPolarHBondContact O-CB 3.31Å; W200-H203 PolarHBondContact O-N 3.1Å; W200-E204 HydrophobicContact CD2-CG 4.01Å; W200-E204 HydrophobicContact CG-CG 4.3Å; W200-E204 HydrophobicContact CH2-CG 4.26Å; W200-E204 HydrophobicContact CZ2-CB 4.27Å; W200-E204 HydrophobicContact CZ2-CG 3.48Å; W200-E204 VanDerWaalsContact CZ2-CG 3.48Å; W200-E204 PolarHBondContact NE1-OE1 3.24Å; W200-E204 PolarHBondContact O-N 2.78Å; W200-L224 HydrophobicContact CH2-CB 3.8Å; W200-L224 HydrophobicContact CH2-CD2 4.01Å; W200-L224 HydrophobicContact CH2-CG 4.48Å; W200-L224 WeakPolarHBondContact CH2-O 3.29Å; W200-L224 HydrophobicContact CZ2-CD2 4.48Å; W200-L224 HydrophobicContact CZ3-CB 3.93Å; W200-L224 WeakPolarHBondContact CZ3-O 3.42Å; W200-Q227 HydrophobicContact CH2-CB 3.68Å; W200-Q227 HydrophobicContact CZ2-CB 3.88Å; W200-W228 HydrophobicContact CB-CE3 3.98Å; W200-W228 HydrophobicContact CB-CZ3 3.61Å; W200-W228 AromaticContact CD2-CE3 3.56Å; W200-W228 HydrophobicContact CD2-CE3 3.56Å; W200-W228 HydrophobicContact CD2-CZ3 4.08Å; W200-W228 HydrophobicContact CE3-CB 3.99Å; W200-W228 HydrophobicContact CE3-CD2 4.14Å; W200-W228 AromaticContact CE3-CE3 3.48Å; W200-W228 HydrophobicContact CE3-CE3 3.48Å; W200-W228 VanDerWaalsContact CE3-CE3 3.48Å; W200-W228 HydrophobicContact CE3-CG 4.37Å; W200-W228 HydrophobicContact CE3-CZ3 4.31Å; W200-W228 AromaticContact CG-CE3 3.8Å; W200-W228 HydrophobicContact CG-CE3 3.8Å; W200-W228 AromaticContact CG-CZ3 3.79Å; W200-W228 HydrophobicContact CG-CZ3 3.79Å; W200-W228 HydrophobicContact CH2-CB 4.22Å; W200-W228 HydrophobicContact CZ3-CB 3.64Å; W200-W228 HydrophobicContact CZ3-CE3 4.31Å; W200-W228 HydrophobicContact CZ3-CG 4.48Å; W200-L231 HydrophobicContact CD2-CD1 4.09Å; W200-L231 HydrophobicContact CG-CD1 4.12Å; W200-L231 HydrophobicContact CZ2-CD2 4.46Å; W200-W239 HydrophobicContact CB-CD2 3.79Å; W200-W239 HydrophobicContact CB-CE3 4.35Å; W200-W239 HydrophobicContact CB-CG 3.85Å; W200-W239 HydrophobicContact CB-CZ2 4.42Å; W200-W239 AromaticContact CD1-CD1 3.93Å; W200-W239 AromaticContact CD1-CE2 3.58Å; W200-W239 AromaticContact CD1-CZ2 3.86Å; W200-W239 AromaticContact CD1-NE1 3.25Å; W200-W239 AromaticContact CG-NE1 3.84Å
201Y93.1Very high89.3Confident54 Ų5476.4 Ų76.421%0.21237%0.369CS..Hα-helixtrans-59.3-42.4179.1179-98.5000112.1Q197 H203 E204 K205 I220 L224Q197-Y201 WeakPolarHBondContact O-CB 3.29Å; Q197-Y201 PolarHBondContact O-N 2.71Å; Y201-H203 PolarHBondContact O-N 2.81Å; Y201-E204 PolarHBondContact O-N 3.3Å; Y201-K205 HydrophobicContact CE1-CD 3.97Å; Y201-K205 WeakPolarHBondContact O-CB 3.39Å; Y201-K205 PolarHBondContact O-N 3.03Å; Y201-I220 HydrophobicContact CE2-CG2 4.34Å; Y201-L224 HydrophobicContact CD2-CB 3.72Å; Y201-L224 HydrophobicContact CD2-CD1 3.7Å; Y201-L224 HydrophobicContact CD2-CG 4.37Å; Y201-L224 HydrophobicContact CE2-CB 3.86Å; Y201-L224 HydrophobicContact CE2-CD1 3.68Å; Y201-L224 HydrophobicContact CE2-CG 4.34Å
202N90.9Very high89.5Confident83 Ų8374.5 Ų74.544%0.44436%0.36SS..Hα-helixtrans-68.9-20.2175.2-79.6-66.6000114Q198 W200 K206Q198-N202 VanDerWaalsContact O-CB 3.31Å; Q198-N202 WeakPolarHBondContact O-CB 3.47Å; Q198-N202 PolarHBondContact O-N 2.93Å; Q198-N202 PolarHBondContact O-ND2 2.83Å; W200-N202 VanDerWaalsContact C-N 3.34Å; W200-N202 PolarHBondContact O-N 3.23Å; N202-K206 WeakPolarHBondContact O-CG 3.47Å
203H92.4Very high89.8Confident98 Ų9870.5 Ų70.545%0.45435%0.351SS..Hα-helixtrans-80.3-54.4172.1179.5-95.8000110.5L199 W200 Y201 K205 K206 A207 W239L199-H203 PolarHBondContact O-N 3.45Å; W200-H203 WeakPolarHBondContact O-CA 3.16Å; W200-H203 WeakPolarHBondContact O-CB 3.31Å; W200-H203 PolarHBondContact O-N 3.1Å; Y201-H203 PolarHBondContact O-N 2.81Å; H203-K205 PolarHBondContact O-N 3.17Å; H203-K206 PolarHBondContact O-N 3.31Å; H203-A207 PolarHBondContact O-N 3.42Å; H203-W239 HydrophobicContact CB-CH2 3.52Å; H203-W239 HydrophobicContact CB-CZ2 4.16Å; H203-W239 HydrophobicContact CB-CZ3 4.23Å; H203-W239 AromaticContact CD2-CH2 3.91Å; H203-W239 AromaticContact CG-CH2 3.54Å; H203-W239 AromaticContact ND1-CH2 3.96Å; H203-W239 AromaticContact ND1-CZ2 3.99Å
204E92.2Very high89.7Confident48 Ų4876.8 Ų76.822%0.22438%0.384CS..Hα-helixtrans-70.4-32.8-178.1-51.2-44.5142.100112.7W200 Y201 K206 A207 F208 L224W200-E204 HydrophobicContact CD2-CG 4.01Å; W200-E204 HydrophobicContact CG-CG 4.3Å; W200-E204 HydrophobicContact CH2-CG 4.26Å; W200-E204 HydrophobicContact CZ2-CB 4.27Å; W200-E204 HydrophobicContact CZ2-CG 3.48Å; W200-E204 VanDerWaalsContact CZ2-CG 3.48Å; W200-E204 PolarHBondContact NE1-OE1 3.24Å; W200-E204 PolarHBondContact O-N 2.78Å; Y201-E204 PolarHBondContact O-N 3.3Å; E204-K206 PolarHBondContact O-N 2.91Å; E204-A207 CarbonylContact O-C 3.58Å; E204-A207 PolarHBondContact O-N 2.86Å; E204-F208 VanDerWaalsContact O-CB 3.27Å; E204-F208 WeakPolarHBondContact O-CB 3.33Å; E204-F208 PolarHBondContact O-N 2.94Å; E204-L224 HydrophobicContact CB-CD1 4.07Å; E204-L224 HydrophobicContact CB-CD2 3.65Å
205K90.6Very high89.5Confident57 Ų5774.5 Ų74.525%0.24838%0.378CS..Hα-helixtrans-57-35.1173176.2161.2-176.1170.90111.6Y201 H203 L209 I220 L224Y201-K205 HydrophobicContact CE1-CD 3.97Å; Y201-K205 WeakPolarHBondContact O-CB 3.39Å; Y201-K205 PolarHBondContact O-N 3.03Å; H203-K205 PolarHBondContact O-N 3.17Å; K205-L209 WeakPolarHBondContact O-CB 3.37Å; K205-L209 PolarHBondContact O-N 3.18Å; K205-I220 HydrophobicContact CB-CG2 4.16Å; K205-I220 HydrophobicContact CD-CG2 3.91Å; K205-I220 HydrophobicContact CG-CG2 3.85Å; K205-L224 HydrophobicContact CB-CD1 4.06Å
206K89.8Confident89.2Confident167 Ų16776.6 Ų76.673%0.72639%0.391SS*.Hα-helixtrans-73.9-30.1175.3-69.6-177.8178.8-170.80113.2N202 H203 E204N202-K206 WeakPolarHBondContact O-CG 3.47Å; H203-K206 PolarHBondContact O-N 3.31Å; E204-K206 PolarHBondContact O-N 2.91Å
207A89.1Confident88.6Confident47 Ų4781 Ų8139%0.38842%0.418SS..Hα-helixtrans-75.9-45.9173.500000111.4H203 E204 K210 T211H203-A207 PolarHBondContact O-N 3.42Å; E204-A207 CarbonylContact O-C 3.58Å; E204-A207 PolarHBondContact O-N 2.86Å; A207-K210 WeakPolarHBondContact O-CB 3.37Å; A207-K210 PolarHBondContact O-N 2.71Å; A207-K210 VanDerWaalsContact O-N 3.11Å; A207-T211 PolarHBondContact O-N 2.88Å
208F87.6Confident88.2Confident40 Ų4083.6 Ų83.618%0.17543%0.428CS..Hα-helixtrans-63.9-45.9-179.4-165.9-76.7000111.9E204 K210 T211 H212 A215 I220 S223 L224E204-F208 VanDerWaalsContact O-CB 3.27Å; E204-F208 WeakPolarHBondContact O-CB 3.33Å; E204-F208 PolarHBondContact O-N 2.94Å; F208-K210 PolarHBondContact O-N 2.88Å; F208-T211 PolarHBondContact O-N 3.04Å; F208-T211 PolarHBondContact O-OG1 3.22Å; F208-T211 VanDerWaalsContact O-OG1 3.12Å; F208-H212 HydrophobicContact CD1-CB 4.28Å; F208-H212 AromaticContact CD1-CD2 3.87Å; F208-H212 HydrophobicContact CE1-CB 4.04Å; F208-H212 AromaticContact CE1-CD2 3.65Å; F208-H212 AromaticContact CZ-CD2 3.73Å; F208-H212 PolarHBondContact O-N 3.3Å; F208-A215 HydrophobicContact CD1-CB 4.37Å; F208-A215 HydrophobicContact CE1-CB 3.75Å; F208-I220 HydrophobicContact CD1-CD1 4.48Å; F208-I220 HydrophobicContact CD1-CG1 3.76Å; F208-I220 HydrophobicContact CE1-CG1 3.86Å; F208-S223 WeakPolarHBondContact CE2-OG 3.13Å; F208-L224 HydrophobicContact CD2-CD2 4.34Å
209L87.7Confident88.1Confident79 Ų7983 Ų8341%0.41443%0.428SS..Hα-helixtrans-66.4-17.5175.3-165.862.8000112.8K205 P213 I220K205-L209 WeakPolarHBondContact O-CB 3.37Å; K205-L209 PolarHBondContact O-N 3.18Å; L209-P213 WeakPolarHBondContact O-CA 3.5Å; L209-I220 HydrophobicContact CD1-CD1 4.19Å
210K89.4Confident87.9Confident182 Ų18282.3 Ų82.379%0.79142%0.424SS*.Hα-helixtrans-82.6-27.2172.3-172.1-179.1176.4-174.30112.5A207 F208A207-K210 WeakPolarHBondContact O-CB 3.37Å; A207-K210 PolarHBondContact O-N 2.71Å; A207-K210 VanDerWaalsContact O-N 3.11Å; F208-K210 PolarHBondContact O-N 2.88Å
211T88.9Confident87.5Confident95 Ų9588.7 Ų88.758%0.58345%0.452SS*.Hα-helixtrans-93.8-23.4175.4580000113.2A207 F208A207-T211 PolarHBondContact O-N 2.88Å; F208-T211 PolarHBondContact O-N 3.04Å; F208-T211 PolarHBondContact O-OG1 3.22Å; F208-T211 VanDerWaalsContact O-OG1 3.12Å
212H81.3Confident87.3Confident94 Ų9489.8 Ų89.844%0.43546%0.462SS..  trans-134.280.8177.2-49.2-66.1000109.4F208 D214 A215F208-H212 HydrophobicContact CD1-CB 4.28Å; F208-H212 AromaticContact CD1-CD2 3.87Å; F208-H212 HydrophobicContact CE1-CB 4.04Å; F208-H212 AromaticContact CE1-CD2 3.65Å; F208-H212 AromaticContact CZ-CD2 3.73Å; F208-H212 PolarHBondContact O-N 3.3Å; H212-D214 PolarHBondContact O-N 3.41Å; H212-A215 HydrophobicContact CB-CB 3.75Å; H212-A215 PolarHBondContact O-N 3.31Å
213P85.1Confident87.2Confident87 Ų8787.3 Ų87.357%0.56545%0.451SS*.THydrogen-bonded Turntrans-60.4-32.5-179.5-2435.8000113.2L209L209-P213 WeakPolarHBondContact O-CA 3.5Å
214D83.4Confident87.1Confident158 Ų15882.7 Ų82.785%0.84543%0.43SS*.THydrogen-bonded Turntrans-93.210.2-174.7-43.3-66.6000113.3H212H212-D214 PolarHBondContact O-N 3.41Å
215A84.2Confident87Confident24 Ų2481.8 Ų81.820%0.19843%0.433CS..  trans-79.3129.8-177.300000112.9F208 H212 I220F208-A215 HydrophobicContact CD1-CB 4.37Å; F208-A215 HydrophobicContact CE1-CB 3.75Å; H212-A215 HydrophobicContact CB-CB 3.75Å; H212-A215 PolarHBondContact O-N 3.31Å; A215-I220 HydrophobicContact CB-CD1 4.34Å; A215-I220 HydrophobicContact CB-CG1 4.15Å; A215-I220 WeakPolarHBondContact O-CD1 3.39Å
216T86.3Confident86.9Confident87 Ų8785.4 Ų85.453%0.53445%0.449SS..  trans-62.3147.9179.9-26.90000111.8K218 D219 I220T216-K218 PolarHBondContact O-N 3.46Å; T216-K218 VanDerWaalsContact O-N 3.09Å; T216-D219 WeakPolarHBondContact CB-OD2 3.45Å; T216-D219 PolarHBondContact N-OD2 3.01Å; T216-D219 PolarHBondContact O-N 2.88Å; T216-D219 PolarHBondContact OG1-OD2 3.37Å; T216-I220 WeakPolarHBondContact O-CG1 3.29Å; T216-I220 PolarHBondContact O-N 3.02Å; T216-I220 VanDerWaalsContact O-N 3.07Å
217T79.2Confident87Confident92 Ų9281.6 Ų81.656%0.56443%0.433SS*.Hα-helixtrans-53.6-32.4173.7-69.30000112.6K221T217-K221 WeakPolarHBondContact O-CB 3.45Å; T217-K221 PolarHBondContact O-N 3.38Å
218K84.6Confident87.1Confident146 Ų14680.4 Ų80.464%0.63542%0.419SS*.Hα-helixtrans-64.4-50.6173.9-170.3176.9-178.31750112.7T216 I220 K221 D222T216-K218 PolarHBondContact O-N 3.46Å; T216-K218 VanDerWaalsContact O-N 3.09Å; K218-I220 VanDerWaalsContact C-N 3.27Å; K218-I220 PolarHBondContact O-N 3.18Å; K218-K221 WeakPolarHBondContact O-CB 3.48Å; K218-K221 PolarHBondContact O-N 3.03Å; K218-D222 PolarHBondContact O-N 3.28Å
219D86.9Confident87.2Confident81 Ų8183.3 Ų83.343%0.43344%0.44SS..Hα-helixtrans-62.1-37.8179.7-53.9-49000111.5T216 S223T216-D219 WeakPolarHBondContact CB-OD2 3.45Å; T216-D219 PolarHBondContact N-OD2 3.01Å; T216-D219 PolarHBondContact O-N 2.88Å; T216-D219 PolarHBondContact OG1-OD2 3.37Å; D219-S223 WeakPolarHBondContact O-CB 3.24Å; D219-S223 PolarHBondContact O-N 2.96Å; D219-S223 PolarHBondContact O-OG 3.07Å
220I88.1Confident87.3Confident2 Ų287 Ų871%0.0146%0.455CS..Hα-helixtrans-65-42.4173.5-62.1169.9000111Y201 K205 F208 L209 A215 T216 K218 S223 L224Y201-I220 HydrophobicContact CE2-CG2 4.34Å; K205-I220 HydrophobicContact CB-CG2 4.16Å; K205-I220 HydrophobicContact CD-CG2 3.91Å; K205-I220 HydrophobicContact CG-CG2 3.85Å; F208-I220 HydrophobicContact CD1-CD1 4.48Å; F208-I220 HydrophobicContact CD1-CG1 3.76Å; F208-I220 HydrophobicContact CE1-CG1 3.86Å; L209-I220 HydrophobicContact CD1-CD1 4.19Å; A215-I220 HydrophobicContact CB-CD1 4.34Å; A215-I220 HydrophobicContact CB-CG1 4.15Å; A215-I220 WeakPolarHBondContact O-CD1 3.39Å; T216-I220 WeakPolarHBondContact O-CG1 3.29Å; T216-I220 PolarHBondContact O-N 3.02Å; T216-I220 VanDerWaalsContact O-N 3.07Å; K218-I220 VanDerWaalsContact C-N 3.27Å; K218-I220 PolarHBondContact O-N 3.18Å; I220-S223 PolarHBondContact O-OG 3.24Å; I220-L224 HydrophobicContact CG2-CD1 3.79Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 VanDerWaalsContact O-CB 3.26Å; I220-L224 WeakPolarHBondContact O-CB 3.16Å; I220-L224 VanDerWaalsContact O-CG 3.28Å; I220-L224 WeakPolarHBondContact O-CG 3.44Å; I220-L224 PolarHBondContact O-N 3.01Å
221K86.9Confident87.4Confident141 Ų14179.3 Ų79.361%0.61342%0.422SS*.Hα-helixtrans-63.2-46.8177.6-169.8176.8-179.51790111T217 K218 G225T217-K221 WeakPolarHBondContact O-CB 3.45Å; T217-K221 PolarHBondContact O-N 3.38Å; K218-K221 WeakPolarHBondContact O-CB 3.48Å; K218-K221 PolarHBondContact O-N 3.03Å; K221-G225 WeakPolarHBondContact O-CA 3.43Å; K221-G225 PolarHBondContact O-N 3.47Å
222D88.9Confident87.6Confident77 Ų7777.9 Ų77.941%0.41242%0.417SS..Hα-helixtrans-75.6-42.2-175.5-74.1-4.6000113.2K218 K226K218-D222 PolarHBondContact O-N 3.28Å; D222-K226 WeakPolarHBondContact O-CD 3.24Å; D222-K226 VanDerWaalsContact O-CG 3.28Å; D222-K226 WeakPolarHBondContact O-CG 3.41Å; D222-K226 PolarHBondContact O-N 3.33Å; D222-K226 VanDerWaalsContact O-N 3.09Å
223S88.4Confident88.1Confident32 Ų3277.3 Ų77.322%0.22442%0.417CS..Hα-helixtrans-65.7-47.3177.859.50000111.7F208 D219 I220 K226 Q227F208-S223 WeakPolarHBondContact CE2-OG 3.13Å; D219-S223 WeakPolarHBondContact O-CB 3.24Å; D219-S223 PolarHBondContact O-N 2.96Å; D219-S223 PolarHBondContact O-OG 3.07Å; I220-S223 PolarHBondContact O-OG 3.24Å; S223-K226 PolarHBondContact O-N 2.97Å; S223-Q227 WeakPolarHBondContact O-CG 3.1Å; S223-Q227 PolarHBondContact O-N 3.38Å
224L91.2Very high88.4Confident1 Ų181.9 Ų81.91%0.00543%0.428CS..Hα-helixtrans-72.1-33.1177.5-60.7-178.8000111.7W200 Y201 E204 K205 F208 I220 K226 Q227 W228W200-L224 HydrophobicContact CH2-CB 3.8Å; W200-L224 HydrophobicContact CH2-CD2 4.01Å; W200-L224 HydrophobicContact CH2-CG 4.48Å; W200-L224 WeakPolarHBondContact CH2-O 3.29Å; W200-L224 HydrophobicContact CZ2-CD2 4.48Å; W200-L224 HydrophobicContact CZ3-CB 3.93Å; W200-L224 WeakPolarHBondContact CZ3-O 3.42Å; Y201-L224 HydrophobicContact CD2-CB 3.72Å; Y201-L224 HydrophobicContact CD2-CD1 3.7Å; Y201-L224 HydrophobicContact CD2-CG 4.37Å; Y201-L224 HydrophobicContact CE2-CB 3.86Å; Y201-L224 HydrophobicContact CE2-CD1 3.68Å; Y201-L224 HydrophobicContact CE2-CG 4.34Å; E204-L224 HydrophobicContact CB-CD1 4.07Å; E204-L224 HydrophobicContact CB-CD2 3.65Å; K205-L224 HydrophobicContact CB-CD1 4.06Å; F208-L224 HydrophobicContact CD2-CD2 4.34Å; I220-L224 HydrophobicContact CG2-CD1 3.79Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 VanDerWaalsContact O-CB 3.26Å; I220-L224 WeakPolarHBondContact O-CB 3.16Å; I220-L224 VanDerWaalsContact O-CG 3.28Å; I220-L224 WeakPolarHBondContact O-CG 3.44Å; I220-L224 PolarHBondContact O-N 3.01Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 3.36Å; L224-Q227 PolarHBondContact O-N 3.42Å; L224-W228 PolarHBondContact O-N 2.95Å
225G88.9Confident88.8Confident28 Ų2880.5 Ų80.529%0.28941%0.414SS..Hα-helixtrans-56.4-46.6171.600000112.5K221 W228 T229K221-G225 WeakPolarHBondContact O-CA 3.43Å; K221-G225 PolarHBondContact O-N 3.47Å; G225-W228 PolarHBondContact O-N 3.46Å; G225-T229 PolarHBondContact O-N 3.24Å
226K90Very high89.2Confident134 Ų13482 Ų8258%0.58342%0.415SS*.Hα-helixtrans-66-38.6175.2-68.9163.7-172.6169.60112.4D222 S223 L224 T229 Q230D222-K226 WeakPolarHBondContact O-CD 3.24Å; D222-K226 VanDerWaalsContact O-CG 3.28Å; D222-K226 WeakPolarHBondContact O-CG 3.41Å; D222-K226 PolarHBondContact O-N 3.33Å; D222-K226 VanDerWaalsContact O-N 3.09Å; S223-K226 PolarHBondContact O-N 2.97Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 3.36Å; K226-T229 PolarHBondContact O-OG1 3.09Å; K226-Q230 VanDerWaalsContact O-CG 3.31Å; K226-Q230 WeakPolarHBondContact O-CG 3.47Å; K226-Q230 PolarHBondContact O-N 2.74Å
227Q91.6Very high89.5Confident86 Ų8679.6 Ų79.640%0.40240%0.398SS..Hα-helixtrans-67.4-36.3175.7-73179.621.800112.8W200 S223 L224 T229 Q230 L231W200-Q227 HydrophobicContact CH2-CB 3.68Å; W200-Q227 HydrophobicContact CZ2-CB 3.88Å; S223-Q227 WeakPolarHBondContact O-CG 3.1Å; S223-Q227 PolarHBondContact O-N 3.38Å; L224-Q227 PolarHBondContact O-N 3.42Å; Q227-T229 PolarHBondContact O-N 3.37Å; Q227-Q230 CarbonylContact O-C 3.52Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-L231 WeakPolarHBondContact O-CG 3.47Å; Q227-L231 PolarHBondContact O-N 2.88Å
228W90.9Very high90.2Very high22 Ų2281.9 Ų81.98%0.08340%0.4CS..Hα-helixtrans-61.6-42.6177.5-179.7-113.1000112.7P196 Q197 W200 L224 G225 Q230 L231 R236P196-W228 HydrophobicContact CB-CH2 4.02Å; P196-W228 HydrophobicContact CB-CZ2 4.43Å; Q197-W228 HydrophobicContact CB-CD2 4.09Å; Q197-W228 HydrophobicContact CB-CH2 4.29Å; Q197-W228 HydrophobicContact CB-CZ2 3.68Å; Q197-W228 HydrophobicContact CG-CD2 3.83Å; Q197-W228 HydrophobicContact CG-CG 3.85Å; Q197-W228 HydrophobicContact CG-CZ2 4.34Å; W200-W228 HydrophobicContact CB-CE3 3.98Å; W200-W228 HydrophobicContact CB-CZ3 3.61Å; W200-W228 AromaticContact CD2-CE3 3.56Å; W200-W228 HydrophobicContact CD2-CE3 3.56Å; W200-W228 HydrophobicContact CD2-CZ3 4.08Å; W200-W228 HydrophobicContact CE3-CB 3.99Å; W200-W228 HydrophobicContact CE3-CD2 4.14Å; W200-W228 AromaticContact CE3-CE3 3.48Å; W200-W228 HydrophobicContact CE3-CE3 3.48Å; W200-W228 VanDerWaalsContact CE3-CE3 3.48Å; W200-W228 HydrophobicContact CE3-CG 4.37Å; W200-W228 HydrophobicContact CE3-CZ3 4.31Å; W200-W228 AromaticContact CG-CE3 3.8Å; W200-W228 HydrophobicContact CG-CE3 3.8Å; W200-W228 AromaticContact CG-CZ3 3.79Å; W200-W228 HydrophobicContact CG-CZ3 3.79Å; W200-W228 HydrophobicContact CH2-CB 4.22Å; W200-W228 HydrophobicContact CZ3-CB 3.64Å; W200-W228 HydrophobicContact CZ3-CE3 4.31Å; W200-W228 HydrophobicContact CZ3-CG 4.48Å; L224-W228 PolarHBondContact O-N 2.95Å; G225-W228 PolarHBondContact O-N 3.46Å; W228-Q230 VanDerWaalsContact C-N 3.26Å; W228-Q230 PolarHBondContact O-N 3.19Å; W228-L231 HydrophobicContact CD2-CD1 4.48Å; W228-L231 HydrophobicContact CE3-CD1 3.44Å; W228-L231 VanDerWaalsContact CE3-CD1 3.44Å; W228-L231 HydrophobicContact CE3-CG 4.3Å; W228-L231 HydrophobicContact CZ3-CD1 3.61Å; W228-L231 PolarHBondContact O-N 2.78Å; W228-R236 HydrophobicContact CH2-CG 4.43Å; W228-R236 PolarHBondContact O-NH2 3.35Å
229T88.3Confident90.7Very high102 Ų10275.6 Ų75.663%0.62637%0.373SS*.Hα-helixtrans-69.8-24.4177.857.60000112.5G225 K226 Q227 R236G225-T229 PolarHBondContact O-N 3.24Å; K226-T229 PolarHBondContact O-OG1 3.09Å; Q227-T229 PolarHBondContact O-N 3.37Å; T229-R236 PolarHBondContact O-NH2 3.38Å
230Q90.9Very high90.9Very high157 Ų15771.7 Ų71.773%0.73435%0.352SS*.Hα-helixtrans-91.6-8.1175.4-64.5174.810.900114.6K226 Q227 W228 S232K226-Q230 VanDerWaalsContact O-CG 3.31Å; K226-Q230 WeakPolarHBondContact O-CG 3.47Å; K226-Q230 PolarHBondContact O-N 2.74Å; Q227-Q230 CarbonylContact O-C 3.52Å; Q227-Q230 PolarHBondContact O-N 3.44Å; W228-Q230 VanDerWaalsContact C-N 3.26Å; W228-Q230 PolarHBondContact O-N 3.19Å; Q230-S232 PolarHBondContact O-N 3.09Å
231L91.5Very high91.1Very high19 Ų1974.3 Ų74.310%0.09937%0.37CS..  trans-59.8132.8177.3-74.6-166.5000112W200 Q227 W228 K235 R236W200-L231 HydrophobicContact CD2-CD1 4.09Å; W200-L231 HydrophobicContact CG-CD1 4.12Å; W200-L231 HydrophobicContact CZ2-CD2 4.46Å; Q227-L231 WeakPolarHBondContact O-CG 3.47Å; Q227-L231 PolarHBondContact O-N 2.88Å; W228-L231 HydrophobicContact CD2-CD1 4.48Å; W228-L231 HydrophobicContact CE3-CD1 3.44Å; W228-L231 VanDerWaalsContact CE3-CD1 3.44Å; W228-L231 HydrophobicContact CE3-CG 4.3Å; W228-L231 HydrophobicContact CZ3-CD1 3.61Å; W228-L231 PolarHBondContact O-N 2.78Å; L231-K235 HydrophobicContact CB-CB 4.48Å; L231-K235 HydrophobicContact CD1-CB 4.4Å; L231-K235 HydrophobicContact CD2-CB 4.41Å; L231-K235 HydrophobicContact CD2-CD 3.91Å; L231-R236 HydrophobicContact CB-CG 3.95Å; L231-R236 HydrophobicContact CD1-CG 4.48Å; L231-R236 PolarHBondContact O-NE 2.98Å; L231-R236 PolarHBondContact O-NH1 2.8Å; L231-R236 VanDerWaalsContact O-NH1 3.17Å; L231-R236 PolarHBondContact O-NH2 3.26Å
232S93.6Very high91.3Very high66 Ų6672.1 Ų72.146%0.46236%0.361SS..  trans-65.6149.417163.90000112.1Q230 K234 K235 R236Q230-S232 PolarHBondContact O-N 3.09Å; S232-K234 PolarHBondContact O-N 2.61Å; S232-K234 VanDerWaalsContact O-N 3.15Å; S232-K235 WeakPolarHBondContact O-CA 3.35Å; S232-K235 WeakPolarHBondContact O-CB 3.49Å; S232-K235 PolarHBondContact O-N 2.89Å; S232-R236 PolarHBondContact O-N 2.92Å
233D91.9Very high91.4Very high81 Ų8168.4 Ų68.443%0.43334%0.341SS..Hα-helixtrans-51.9-39.1-178.7-76.5-2.1000113.3K235 R236 L237 L283D233-K235 VanDerWaalsContact C-N 3.32Å; D233-K235 PolarHBondContact O-N 3.32Å; D233-R236 PolarHBondContact O-N 3.48Å; D233-R236 IonicContact OD1-NH1 2.79Å; D233-L237 WeakPolarHBondContact O-CB 3.36Å; D233-L237 VanDerWaalsContact O-CG 3.31Å; D233-L237 WeakPolarHBondContact O-CG 3.43Å; D233-L237 PolarHBondContact O-N 3.09Å; D233-L283 HydrophobicContact CB-CD1 3.72Å; D233-L283 HydrophobicContact CB-CD2 4.13Å
234K91.3Very high91.5Very high184 Ų18469.3 Ų69.380%0.834%0.343SS*.Hα-helixtrans-63.1-34175.1-171.2173.9-178.41770113S232S232-K234 PolarHBondContact O-N 2.61Å; S232-K234 VanDerWaalsContact O-N 3.15Å
235K92.1Very high91.4Very high128 Ų12875.1 Ų75.156%0.55737%0.37SS*.Hα-helixtrans-73.8-42.4172.8-71.9-174.9177.4-177.60111L231 S232 D233 K238L231-K235 HydrophobicContact CB-CB 4.48Å; L231-K235 HydrophobicContact CD1-CB 4.4Å; L231-K235 HydrophobicContact CD2-CB 4.41Å; L231-K235 HydrophobicContact CD2-CD 3.91Å; S232-K235 WeakPolarHBondContact O-CA 3.35Å; S232-K235 WeakPolarHBondContact O-CB 3.49Å; S232-K235 PolarHBondContact O-N 2.89Å; D233-K235 VanDerWaalsContact C-N 3.32Å; D233-K235 PolarHBondContact O-N 3.32Å; K235-K238 WeakPolarHBondContact O-CB 3.3Å; K235-K238 PolarHBondContact O-N 3.33Å
236R91.7Very high91.4Very high56 Ų5676.6 Ų76.621%0.21137%0.37CS..Hα-helixtrans-59.6-45.5176.3-70.3-179.9173.2136.93.9112.4W228 T229 L231 S232 D233 K238 W239 I240 L283W228-R236 HydrophobicContact CH2-CG 4.43Å; W228-R236 PolarHBondContact O-NH2 3.35Å; T229-R236 PolarHBondContact O-NH2 3.38Å; L231-R236 HydrophobicContact CB-CG 3.95Å; L231-R236 HydrophobicContact CD1-CG 4.48Å; L231-R236 PolarHBondContact O-NE 2.98Å; L231-R236 PolarHBondContact O-NH1 2.8Å; L231-R236 VanDerWaalsContact O-NH1 3.17Å; L231-R236 PolarHBondContact O-NH2 3.26Å; S232-R236 PolarHBondContact O-N 2.92Å; D233-R236 PolarHBondContact O-N 3.48Å; D233-R236 IonicContact OD1-NH1 2.79Å; R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.24Å; R236-W239 PolarHBondContact O-N 2.84Å; R236-I240 HydrophobicContact CB-CD1 4.32Å; R236-I240 WeakPolarHBondContact O-CG1 3.43Å; R236-I240 PolarHBondContact O-N 2.72Å; R236-L283 HydrophobicContact CB-CD2 3.84Å
237L92.5Very high91.2Very high37 Ų3771.5 Ų71.519%0.19435%0.348CS..Hα-helixtrans-56.4-35.2179.6-78168.3000113.5D233 W239 I240 S241 L283 K284 S287D233-L237 WeakPolarHBondContact O-CB 3.36Å; D233-L237 VanDerWaalsContact O-CG 3.31Å; D233-L237 WeakPolarHBondContact O-CG 3.43Å; D233-L237 PolarHBondContact O-N 3.09Å; L237-W239 VanDerWaalsContact C-N 3.31Å; L237-W239 PolarHBondContact O-N 3.2Å; L237-I240 HydrophobicContact CD2-CD1 4.36Å; L237-I240 PolarHBondContact O-N 2.94Å; L237-S241 PolarHBondContact O-N 3.15Å; L237-S241 PolarHBondContact O-OG 3.21Å; L237-L283 HydrophobicContact CD1-CD1 4.18Å; L237-L283 HydrophobicContact CD2-CD1 4.36Å; L237-L283 HydrophobicContact CD2-CG 3.88Å; L237-L283 HydrophobicContact CG-CD1 4.19Å; L237-L283 HydrophobicContact CG-CD2 4.26Å; L237-L283 HydrophobicContact CG-CG 3.98Å; L237-K284 HydrophobicContact CD2-CD 4.43Å; L237-S287 VanDerWaalsContact CD2-OG 3.26Å; L237-S287 WeakPolarHBondContact CD2-OG 3.37Å
238K94Very high90.9Very high139 Ų13973.3 Ų73.360%0.60435%0.354SS*.Hα-helixtrans-57.4-44.1173.5-176.3-174.8176.1-174.60111.8K235 R236 K242K235-K238 WeakPolarHBondContact O-CB 3.3Å; K235-K238 PolarHBondContact O-N 3.33Å; R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.24Å; K238-K242 PolarHBondContact O-N 3.5Å
239W94.4Very high90.7Very high14 Ų1477.2 Ų77.25%0.05338%0.376CS..Hα-helixtrans-78.8-32.2-178.7-60.1109.4000112.6P196 L199 W200 H203 R236 L237 K242 S243P196-W239 HydrophobicContact CB-CB 4Å; L199-W239 HydrophobicContact CB-CE3 3.84Å; L199-W239 HydrophobicContact CB-CZ3 4.25Å; L199-W239 WeakPolarHBondContact O-CZ3 3.33Å; W200-W239 HydrophobicContact CB-CD2 3.79Å; W200-W239 HydrophobicContact CB-CE3 4.35Å; W200-W239 HydrophobicContact CB-CG 3.85Å; W200-W239 HydrophobicContact CB-CZ2 4.42Å; W200-W239 AromaticContact CD1-CD1 3.93Å; W200-W239 AromaticContact CD1-CE2 3.58Å; W200-W239 AromaticContact CD1-CZ2 3.86Å; W200-W239 AromaticContact CD1-NE1 3.25Å; W200-W239 AromaticContact CG-NE1 3.84Å; H203-W239 HydrophobicContact CB-CH2 3.52Å; H203-W239 HydrophobicContact CB-CZ2 4.16Å; H203-W239 HydrophobicContact CB-CZ3 4.23Å; H203-W239 AromaticContact CD2-CH2 3.91Å; H203-W239 AromaticContact CG-CH2 3.54Å; H203-W239 AromaticContact ND1-CH2 3.96Å; H203-W239 AromaticContact ND1-CZ2 3.99Å; R236-W239 PolarHBondContact O-N 2.84Å; L237-W239 VanDerWaalsContact C-N 3.31Å; L237-W239 PolarHBondContact O-N 3.2Å; W239-K242 HydrophobicContact CE3-CD 4.33Å; W239-K242 HydrophobicContact CZ3-CD 4.2Å; W239-K242 PolarHBondContact O-N 3.14Å; W239-S243 WeakPolarHBondContact O-CB 3.41Å; W239-S243 PolarHBondContact O-N 2.82Å
240I92.3Very high90.6Very high0 Ų073.7 Ų73.70%035%0.352CS..Hα-helixtrans-61.7-50.8172.7-68.4166000110.3P196 R236 L237 K242 S243 L244 L276 E280 L283 K284P196-I240 HydrophobicContact CB-CG1 3.97Å; P196-I240 HydrophobicContact CG-CB 4.44Å; P196-I240 HydrophobicContact CG-CG1 3.9Å; R236-I240 HydrophobicContact CB-CD1 4.32Å; R236-I240 WeakPolarHBondContact O-CG1 3.43Å; R236-I240 PolarHBondContact O-N 2.72Å; L237-I240 HydrophobicContact CD2-CD1 4.36Å; L237-I240 PolarHBondContact O-N 2.94Å; I240-K242 VanDerWaalsContact C-N 3.32Å; I240-K242 PolarHBondContact O-N 3.01Å; I240-S243 PolarHBondContact O-N 2.88Å; I240-L244 HydrophobicContact CG2-CD1 4.3Å; I240-L244 WeakPolarHBondContact O-CG 3.48Å; I240-L244 PolarHBondContact O-N 3.27Å; I240-L276 HydrophobicContact CB-CD2 4.47Å; I240-L276 HydrophobicContact CG1-CD2 4.49Å; I240-L276 HydrophobicContact CG2-CD1 3.81Å; I240-L276 HydrophobicContact CG2-CD2 3.88Å; I240-E280 HydrophobicContact CD1-CB 3.8Å; I240-E280 HydrophobicContact CD1-CG 4.01Å; I240-E280 HydrophobicContact CG1-CB 4.02Å; I240-E280 HydrophobicContact CG1-CG 4.16Å; I240-L283 HydrophobicContact CD1-CD2 3.94Å; I240-L283 HydrophobicContact CD1-CG 4.31Å; I240-K284 HydrophobicContact CG2-CB 3.95Å; I240-K284 HydrophobicContact CG2-CD 4.18Å; I240-K284 HydrophobicContact CG2-CG 4.1Å
241S91Very high90.2Very high56 Ų5668.4 Ų68.439%0.39233%0.327SS..Hα-helixtrans-59.3-41.8175.7-640000112.2L237 S243 L244 E245L237-S241 PolarHBondContact O-N 3.15Å; L237-S241 PolarHBondContact O-OG 3.21Å; S241-S243 PolarHBondContact O-N 2.98Å; S241-L244 PolarHBondContact O-N 3.18Å; S241-E245 WeakPolarHBondContact O-CB 3.48Å; S241-E245 PolarHBondContact O-N 3.07Å
242K91.8Very high89.9Confident95 Ų9571 Ų7141%0.41334%0.338SS..Hα-helixtrans-67.2-33.6177.8-166.4174.7-176.8175.60113.4L199 K238 W239 I240 Q246L199-K242 HydrophobicContact CD1-CB 4.39Å; L199-K242 HydrophobicContact CD1-CG 4.23Å; K238-K242 PolarHBondContact O-N 3.5Å; W239-K242 HydrophobicContact CE3-CD 4.33Å; W239-K242 HydrophobicContact CZ3-CD 4.2Å; W239-K242 PolarHBondContact O-N 3.14Å; I240-K242 VanDerWaalsContact C-N 3.32Å; I240-K242 PolarHBondContact O-N 3.01Å; K242-Q246 WeakPolarHBondContact O-CG 3.26Å; K242-Q246 PolarHBondContact O-N 3.46Å; K242-Q246 VanDerWaalsContact O-N 3.11Å
243S92.1Very high89.5Confident0 Ų069.8 Ų69.80%033%0.333CS..Hα-helixtrans-69.4-41.2173.9-1740000111.6K194 W239 I240 S241 Q246 Q247 T275K194-S243 WeakPolarHBondContact O-CB 3.47Å; K194-S243 PolarHBondContact O-OG 2.94Å; W239-S243 WeakPolarHBondContact O-CB 3.41Å; W239-S243 PolarHBondContact O-N 2.82Å; I240-S243 PolarHBondContact O-N 2.88Å; S241-S243 PolarHBondContact O-N 2.98Å; S243-Q246 PolarHBondContact O-N 3.4Å; S243-Q247 WeakPolarHBondContact O-CB 2.91Å; S243-Q247 PolarHBondContact O-N 3.32Å; S243-T275 WeakPolarHBondContact OG-CB 3.48Å; S243-T275 PolarHBondContact OG-OG1 3.13Å
244L89.6Confident89Confident51 Ų5166.2 Ų66.227%0.26731%0.313SS..Hα-helixtrans-64.8-38.8174.8-70.8172.7000112.5I240 S241 Q247 K248 L276 K284I240-L244 HydrophobicContact CG2-CD1 4.3Å; I240-L244 WeakPolarHBondContact O-CG 3.48Å; I240-L244 PolarHBondContact O-N 3.27Å; S241-L244 PolarHBondContact O-N 3.18Å; L244-Q247 PolarHBondContact O-N 3.47Å; L244-K248 PolarHBondContact O-N 2.81Å; L244-L276 HydrophobicContact CD1-CD1 4.11Å; L244-L276 HydrophobicContact CD2-CD1 3.88Å; L244-L276 HydrophobicContact CD2-CG 4.11Å; L244-L276 HydrophobicContact CG-CD1 4.09Å; L244-L276 HydrophobicContact CG-CG 4.46Å; L244-K284 HydrophobicContact CD1-CD 4.39Å; L244-K284 HydrophobicContact CD1-CG 4.17Å
245E89.3Confident88.5Confident122 Ų12264.7 Ų64.757%0.5730%0.303SS*.Hα-helixtrans-60.8-46.9173.4-178.5176.9-142.300111.4S241 Q247 K248 L249S241-E245 WeakPolarHBondContact O-CB 3.48Å; S241-E245 PolarHBondContact O-N 3.07Å; E245-Q247 PolarHBondContact O-N 3.04Å; E245-K248 PolarHBondContact O-N 3.36Å; E245-L249 WeakPolarHBondContact O-CG 3.33Å; E245-L249 PolarHBondContact O-N 3.25Å; E245-L249 VanDerWaalsContact O-N 3.08Å
246Q88.4Confident88.1Confident60 Ų6064.1 Ų64.128%0.2830%0.302SS..Hα-helixtrans-64.4-37.5173.3-73.2-171.2-6.200113.1P193 K242 S243 K248 L249 Y250P193-Q246 HydrophobicContact CB-CB 4.26Å; K242-Q246 WeakPolarHBondContact O-CG 3.26Å; K242-Q246 PolarHBondContact O-N 3.46Å; K242-Q246 VanDerWaalsContact O-N 3.11Å; S243-Q246 PolarHBondContact O-N 3.4Å; Q246-K248 VanDerWaalsContact C-N 3.34Å; Q246-K248 PolarHBondContact O-N 3.25Å; Q246-L249 PolarHBondContact O-N 2.89Å; Q246-Y250 WeakPolarHBondContact O-CB 3.32Å; Q246-Y250 PolarHBondContact O-N 2.94Å
247Q85.4Confident87.6Confident27 Ų2763.1 Ų63.113%0.12630%0.299CS..Hα-helixtrans-61.8-42.7175.1-170.6-172.8-45.200110.9P193 S243 L244 E245 Y250 E251 T275P193-Q247 HydrophobicContact CB-CB 4.17Å; P193-Q247 HydrophobicContact CG-CB 4.13Å; P193-Q247 HydrophobicContact CG-CG 4.1Å; S243-Q247 WeakPolarHBondContact O-CB 2.91Å; S243-Q247 PolarHBondContact O-N 3.32Å; L244-Q247 PolarHBondContact O-N 3.47Å; E245-Q247 PolarHBondContact O-N 3.04Å; Q247-Y250 PolarHBondContact O-N 3.13Å; Q247-E251 PolarHBondContact NE2-OE1 2.91Å; Q247-E251 WeakPolarHBondContact O-CB 2.85Å; Q247-E251 WeakPolarHBondContact O-CG 3.12Å; Q247-E251 PolarHBondContact O-N 3.43Å; Q247-T275 HydrophobicContact CB-CG2 4.28Å; Q247-T275 HydrophobicContact CG-CG2 4.37Å
248K86Confident86.8Confident123 Ų12364 Ų6454%0.53531%0.305SS..Hα-helixtrans-60.4-49175.3-176.3-169.9165.6-170.60111.7L244 E245 Q246 Y250 E251 E252L244-K248 PolarHBondContact O-N 2.81Å; E245-K248 PolarHBondContact O-N 3.36Å; Q246-K248 VanDerWaalsContact C-N 3.34Å; Q246-K248 PolarHBondContact O-N 3.25Å; K248-Y250 VanDerWaalsContact C-N 3.3Å; K248-Y250 PolarHBondContact O-N 3.41Å; K248-E251 PolarHBondContact O-N 3.25Å; K248-E251 VanDerWaalsContact O-N 3.16Å; K248-E252 VanDerWaalsContact CE-CD 3.47Å; K248-E252 WeakPolarHBondContact CE-OE1 3.49Å; K248-E252 IonicContact NZ-OE1 2.67Å; K248-E252 WeakPolarHBondContact O-CG 3.42Å; K248-E252 PolarHBondContact O-N 3.18Å
249L86.8Confident86.1Confident105 Ų10565.5 Ų65.555%0.5531%0.312SS..Hα-helixtrans-61-39.3179.2-68.3170.9000111.8E245 Q246 E252 A253E245-L249 WeakPolarHBondContact O-CG 3.33Å; E245-L249 PolarHBondContact O-N 3.25Å; E245-L249 VanDerWaalsContact O-N 3.08Å; Q246-L249 PolarHBondContact O-N 2.89Å; L249-E252 PolarHBondContact O-N 3.48Å; L249-A253 WeakPolarHBondContact O-CB 3.45Å; L249-A253 PolarHBondContact O-N 3.41Å
250Y85.6Confident85.2Confident28 Ų2870.6 Ų70.611%0.1134%0.336CS..Hα-helixtrans-65.1-43.6172.3170-100.9000112.7P190 E191 P193 Q246 Q247 K248 E252 A253 M254 I271P190-Y250 HydrophobicContact CB-CD2 3.85Å; P190-Y250 HydrophobicContact CB-CE2 4.12Å; E191-Y250 WeakPolarHBondContact O-CD2 3.46Å; P193-Y250 HydrophobicContact CG-CD1 3.97Å; P193-Y250 HydrophobicContact CG-CG 4.17Å; Q246-Y250 WeakPolarHBondContact O-CB 3.32Å; Q246-Y250 PolarHBondContact O-N 2.94Å; Q247-Y250 PolarHBondContact O-N 3.13Å; K248-Y250 VanDerWaalsContact C-N 3.3Å; K248-Y250 PolarHBondContact O-N 3.41Å; Y250-E252 PolarHBondContact O-N 3.12Å; Y250-A253 PolarHBondContact O-N 3.26Å; Y250-M254 HydrophobicContact CD1-CG 4.19Å; Y250-M254 HydrophobicContact CD2-CG 3.76Å; Y250-M254 HydrophobicContact CE1-CG 3.88Å; Y250-M254 HydrophobicContact CE2-CG 3.41Å; Y250-M254 VanDerWaalsContact CE2-CG 3.41Å; Y250-M254 HydrophobicContact CE2-SD 3.82Å; Y250-M254 HydrophobicContact CG-CG 4.15Å; Y250-M254 VanDerWaalsContact CZ-CG 3.5Å; Y250-M254 VanDerWaalsContact O-CB 3.22Å; Y250-M254 WeakPolarHBondContact O-CB 3.48Å; Y250-M254 VanDerWaalsContact O-CG 3.26Å; Y250-M254 WeakPolarHBondContact O-CG 3.48Å; Y250-M254 PolarHBondContact O-N 3.19Å; Y250-I271 HydrophobicContact CE1-CG2 4.09Å
251E83.7Confident84.1Confident46 Ų4673.2 Ų73.222%0.21535%0.349CS..Hα-helixtrans-64.3-28.3176.7-77179.1-158.100112.9Q247 K248 R255Q247-E251 PolarHBondContact NE2-OE1 2.91Å; Q247-E251 WeakPolarHBondContact O-CB 2.85Å; Q247-E251 WeakPolarHBondContact O-CG 3.12Å; Q247-E251 PolarHBondContact O-N 3.43Å; K248-E251 PolarHBondContact O-N 3.25Å; K248-E251 VanDerWaalsContact O-N 3.16Å; E251-R255 WeakPolarHBondContact O-CB 3.25Å; E251-R255 PolarHBondContact O-N 3.48Å
252E84.6Confident83Confident72 Ų7275.4 Ų75.434%0.33636%0.361SS..Hα-helixtrans-77.7-49.2173.8-72.9171.8166.800111.1K248 L249 Y250 M254 R255 E256K248-E252 VanDerWaalsContact CE-CD 3.47Å; K248-E252 WeakPolarHBondContact CE-OE1 3.49Å; K248-E252 IonicContact NZ-OE1 2.67Å; K248-E252 WeakPolarHBondContact O-CG 3.42Å; K248-E252 PolarHBondContact O-N 3.18Å; L249-E252 PolarHBondContact O-N 3.48Å; Y250-E252 PolarHBondContact O-N 3.12Å; E252-M254 PolarHBondContact O-N 3.37Å; E252-R255 WeakPolarHBondContact O-CB 3.42Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-R255 VanDerWaalsContact O-N 3.14Å; E252-E256 PolarHBondContact O-N 3.24Å; E252-E256 VanDerWaalsContact O-N 3.12Å
253A85.4Confident81.2Confident41 Ų4177.1 Ų77.134%0.33937%0.371SS..Hα-helixtrans-61.5-40.5175.900000112.9P190 L249 Y250 R255 E256 Y257P190-A253 HydrophobicContact CB-CB 4.07Å; P190-A253 HydrophobicContact CG-CB 3.72Å; L249-A253 WeakPolarHBondContact O-CB 3.45Å; L249-A253 PolarHBondContact O-N 3.41Å; Y250-A253 PolarHBondContact O-N 3.26Å; A253-R255 VanDerWaalsContact C-N 3.31Å; A253-R255 PolarHBondContact O-N 3.45Å; A253-E256 PolarHBondContact O-N 3.24Å; A253-Y257 WeakPolarHBondContact O-CB 3.49Å; A253-Y257 PolarHBondContact O-N 3.4Å
254M80.3Confident79.6Confident6 Ų681.3 Ų81.33%0.0339%0.393CS..Hα-helixtrans-66.5-31175.5-76.8-62.7-62.300112.6V189 P190 Y250 E252 T258 M266 I271V189-M254 HydrophobicContact CG1-SD 4.3Å; P190-M254 HydrophobicContact CB-CG 4.28Å; P190-M254 HydrophobicContact CB-SD 4.05Å; P190-M254 HydrophobicContact CG-CG 4.24Å; P190-M254 HydrophobicContact CG-SD 3.83Å; Y250-M254 HydrophobicContact CD1-CG 4.19Å; Y250-M254 HydrophobicContact CD2-CG 3.76Å; Y250-M254 HydrophobicContact CE1-CG 3.88Å; Y250-M254 HydrophobicContact CE2-CG 3.41Å; Y250-M254 VanDerWaalsContact CE2-CG 3.41Å; Y250-M254 HydrophobicContact CE2-SD 3.82Å; Y250-M254 HydrophobicContact CG-CG 4.15Å; Y250-M254 VanDerWaalsContact CZ-CG 3.5Å; Y250-M254 VanDerWaalsContact O-CB 3.22Å; Y250-M254 WeakPolarHBondContact O-CB 3.48Å; Y250-M254 VanDerWaalsContact O-CG 3.26Å; Y250-M254 WeakPolarHBondContact O-CG 3.48Å; Y250-M254 PolarHBondContact O-N 3.19Å; E252-M254 PolarHBondContact O-N 3.37Å; M254-T258 VanDerWaalsContact O-CB 3.29Å; M254-T258 WeakPolarHBondContact O-CB 3.38Å; M254-T258 PolarHBondContact O-N 3.49Å; M254-T258 PolarHBondContact O-OG1 2.76Å; M254-M266 HydrophobicContact CE-CG 4.4Å; M254-I271 HydrophobicContact CB-CD1 4.47Å; M254-I271 HydrophobicContact CB-CG2 3.92Å; M254-I271 HydrophobicContact CE-CD1 4.02Å; M254-I271 HydrophobicContact CE-CG1 4.05Å; M254-I271 HydrophobicContact CG-CG2 4.2Å
255R81.6Confident77.6Confident153 Ų15386 Ų8658%0.57742%0.418SS*.Hα-helixtrans-69.3-40.1175.3-171.8-171.6-51.6133.414111.2E251 E252 A253 K259E251-R255 WeakPolarHBondContact O-CB 3.25Å; E251-R255 PolarHBondContact O-N 3.48Å; E252-R255 WeakPolarHBondContact O-CB 3.42Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-R255 VanDerWaalsContact O-N 3.14Å; A253-R255 VanDerWaalsContact C-N 3.31Å; A253-R255 PolarHBondContact O-N 3.45Å; R255-K259 WeakPolarHBondContact O-CB 3.29Å; R255-K259 PolarHBondContact O-N 2.93Å
256E82.9Confident76.1Confident115 Ų11584.3 Ų84.354%0.53741%0.411SS..Hα-helixtrans-66.5-48.7173.2-178.6130.3-121.500111.4E252 A253 T258 K259 Q260E252-E256 PolarHBondContact O-N 3.24Å; E252-E256 VanDerWaalsContact O-N 3.12Å; A253-E256 PolarHBondContact O-N 3.24Å; E256-T258 VanDerWaalsContact C-N 3.35Å; E256-T258 PolarHBondContact O-N 3.19Å; E256-K259 WeakPolarHBondContact O-CA 3.37Å; E256-K259 WeakPolarHBondContact O-CB 3.44Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-Q260 VanDerWaalsContact CG-NE2 3.32Å; E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 2.95Å
257Y81.1Confident74.3Confident36 Ų3684.9 Ų84.914%0.14142%0.422CS..Hα-helixtrans-56.8-44.4175.8-174.7-103.2000112.5N188 V189 A253 K259 Q260 H261 L264N188-Y257 HydrophobicContact CB-CE2 4.18Å; V189-Y257 HydrophobicContact CG2-CE1 3.95Å; A253-Y257 WeakPolarHBondContact O-CB 3.49Å; A253-Y257 PolarHBondContact O-N 3.4Å; Y257-K259 VanDerWaalsContact C-N 3.26Å; Y257-K259 PolarHBondContact O-N 3.08Å; Y257-Q260 PolarHBondContact O-N 2.86Å; Y257-Q260 VanDerWaalsContact O-N 3.13Å; Y257-H261 AromaticContact CD2-CD2 3.69Å; Y257-H261 AromaticContact CE2-CD2 3.23Å; Y257-H261 WeakPolarHBondContact CE2-CD2 3.38Å; Y257-H261 AromaticContact CE2-NE2 3.61Å; Y257-H261 AromaticContact CZ-CD2 3.56Å; Y257-H261 PolarHBondContact O-N 3.35Å; Y257-L264 HydrophobicContact CE1-CD1 3.84Å; Y257-L264 VanDerWaalsContact OH-CD1 3.27Å; Y257-L264 WeakPolarHBondContact OH-CD1 3.23Å
258T76.8Confident72.8Confident55 Ų5590.9 Ų90.934%0.33745%0.45SS..Hα-helixtrans-66.4-26.6176.7-52.20000112.7M254 E256M254-T258 VanDerWaalsContact O-CB 3.29Å; M254-T258 WeakPolarHBondContact O-CB 3.38Å; M254-T258 PolarHBondContact O-N 3.49Å; M254-T258 PolarHBondContact O-OG1 2.76Å; E256-T258 VanDerWaalsContact C-N 3.35Å; E256-T258 PolarHBondContact O-N 3.19Å
259K78.4Confident71.1Confident170 Ų17087.8 Ų87.874%0.73945%0.453SS*.Hα-helixtrans-76.5-31.7173.4-177.4-167.8170.5-161.40111.7R255 E256 Y257R255-K259 WeakPolarHBondContact O-CB 3.29Å; R255-K259 PolarHBondContact O-N 2.93Å; E256-K259 WeakPolarHBondContact O-CA 3.37Å; E256-K259 WeakPolarHBondContact O-CB 3.44Å; E256-K259 PolarHBondContact O-N 3.47Å; Y257-K259 VanDerWaalsContact C-N 3.26Å; Y257-K259 PolarHBondContact O-N 3.08Å
260Q76.6Confident69.4Low122 Ų12286.9 Ų86.957%0.5745%0.449SS*.Hα-helixtrans-80.7-26.1178.2-66.7178.41800112.9E256 Y257 P262E256-Q260 VanDerWaalsContact CG-NE2 3.32Å; E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 2.95Å; Y257-Q260 PolarHBondContact O-N 2.86Å; Y257-Q260 VanDerWaalsContact O-N 3.13Å; Q260-P262 WeakPolarHBondContact O-CD 3.18Å
261H69.1Low68Low55 Ų5586.6 Ų86.626%0.25545%0.449SS..  trans-123.774.6179.8-67.4-72.7000113.8Y257 E263 L264Y257-H261 AromaticContact CD2-CD2 3.69Å; Y257-H261 AromaticContact CE2-CD2 3.23Å; Y257-H261 WeakPolarHBondContact CE2-CD2 3.38Å; Y257-H261 AromaticContact CE2-NE2 3.61Å; Y257-H261 AromaticContact CZ-CD2 3.56Å; Y257-H261 PolarHBondContact O-N 3.35Å; H261-E263 WeakPolarHBondContact CA-OE1 3.45Å; H261-E263 WeakPolarHBondContact CB-OE1 3.34Å; H261-E263 IonicContact CG-OE1 2.68Å; H261-E263 IonicContact ND1-OE1 2.83Å; H261-E263 PolarHBondContact ND1-OE1 3.33Å; H261-E263 PolarHBondContact O-N 3.44Å; H261-L264 HydrophobicContact CB-CD1 3.87Å; H261-L264 HydrophobicContact CB-CG 4.28Å; H261-L264 PolarHBondContact O-N 3.09Å
262P68.3Low66.7Low101 Ų10190 Ų9066%0.65647%0.466SS*.G310 helixtrans-58.5-32.1178.3-24.134.9000114.2Q260 L264Q260-P262 WeakPolarHBondContact O-CD 3.18Å; P262-L264 VanDerWaalsContact C-N 3.3Å; P262-L264 PolarHBondContact O-N 3.17Å
263E54Low65.7Low132 Ų13293 Ų9362%0.61748%0.478SS*.G310 helixtrans-65.1-24.3-177.460.6-73.7163.200114.6H261 N265H261-E263 WeakPolarHBondContact CA-OE1 3.45Å; H261-E263 WeakPolarHBondContact CB-OE1 3.34Å; H261-E263 IonicContact CG-OE1 2.68Å; H261-E263 IonicContact ND1-OE1 2.83Å; H261-E263 PolarHBondContact ND1-OE1 3.33Å; H261-E263 PolarHBondContact O-N 3.44Å; E263-N265 VanDerWaalsContact C-N 3.31Å; E263-N265 PolarHBondContact O-N 3.25Å
264L57.6Low65.2Low87 Ų8794.1 Ų94.146%0.45548%0.483SS..G310 helixtrans-78.2-7.6-173.9-77.1175.5000115.1Y257 H261 P262 M266Y257-L264 HydrophobicContact CE1-CD1 3.84Å; Y257-L264 VanDerWaalsContact OH-CD1 3.27Å; Y257-L264 WeakPolarHBondContact OH-CD1 3.23Å; H261-L264 HydrophobicContact CB-CD1 3.87Å; H261-L264 HydrophobicContact CB-CG 4.28Å; H261-L264 PolarHBondContact O-N 3.09Å; P262-L264 VanDerWaalsContact C-N 3.3Å; P262-L264 PolarHBondContact O-N 3.17Å; L264-M266 PolarHBondContact O-N 3.06Å
265N47.8Very low65.3Low151 Ų15194.6 Ų94.681%0.80749%0.487SS*.  trans43.439.6171.4-159.54.9000115.1E263 S267E263-N265 VanDerWaalsContact C-N 3.31Å; E263-N265 PolarHBondContact O-N 3.25Å; N265-S267 PolarHBondContact O-N 3.44Å; N265-S267 VanDerWaalsContact O-N 3.14Å
266M57.2Low65.5Low86 Ų8688.2 Ų88.242%0.42446%0.464SS..  trans-74.9104.5-171.2-172.361.163.200111.2M254 L264 Q268 I271M254-M266 HydrophobicContact CE-CG 4.4Å; L264-M266 PolarHBondContact O-N 3.06Å; M266-Q268 PolarHBondContact O-N 3.09Å; M266-I271 HydrophobicContact CG-CD1 4.21Å; M266-I271 HydrophobicContact CG-CG1 4.27Å
267S52Low65.7Low72 Ų7286.5 Ų86.550%0.50346%0.461SS..  trans-61.7133.3-176.777.80000112.8N265 G269 N270N265-S267 PolarHBondContact O-N 3.44Å; N265-S267 VanDerWaalsContact O-N 3.14Å; S267-G269 PolarHBondContact O-N 2.78Å; S267-N270 PolarHBondContact O-N 3.37Å
268Q52.3Low65.8Low152 Ų15294.2 Ų94.271%0.7150%0.495SS*.Hα-helixtrans-53.7-28.1-178.8-70-177.6-18.100113.6M266 N270 I271 M272M266-Q268 PolarHBondContact O-N 3.09Å; Q268-N270 PolarHBondContact O-N 3.35Å; Q268-I271 PolarHBondContact O-N 3.08Å; Q268-M272 PolarHBondContact O-N 3.33Å; Q268-M272 VanDerWaalsContact O-N 3.11Å
269G50.1Low66.2Low58 Ų5895 Ų9560%0.59851%0.508SS*.Hα-helixtrans-64.7-20.317800000115.1S267S267-G269 PolarHBondContact O-N 2.78Å
270N51.8Low66.8Low87 Ų8787.7 Ų87.747%0.46548%0.476SS..Hα-helixtrans-86.5-23.1170.8-93.6-22.8000113.2S267 Q268 K273S267-N270 PolarHBondContact O-N 3.37Å; Q268-N270 PolarHBondContact O-N 3.35Å; N270-K273 VanDerWaalsContact OD1-CE 3.3Å; N270-K273 WeakPolarHBondContact OD1-CE 3.27Å; N270-K273 PolarHBondContact OD1-NZ 2.91Å
271I55.8Low67.3Low22 Ų2285.2 Ų85.211%0.11346%0.462CS..Hα-helixtrans-80.3-43.6-179.1-54.2177.4000110.3Y250 M254 M266 Q268 K273Y250-I271 HydrophobicContact CE1-CG2 4.09Å; M254-I271 HydrophobicContact CB-CD1 4.47Å; M254-I271 HydrophobicContact CB-CG2 3.92Å; M254-I271 HydrophobicContact CE-CD1 4.02Å; M254-I271 HydrophobicContact CE-CG1 4.05Å; M254-I271 HydrophobicContact CG-CG2 4.2Å; M266-I271 HydrophobicContact CG-CD1 4.21Å; M266-I271 HydrophobicContact CG-CG1 4.27Å; Q268-I271 PolarHBondContact O-N 3.08Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 3.39Å; I271-K273 VanDerWaalsContact O-N 3.09Å
272M56.8Low68.1Low117 Ų11786.9 Ų86.958%0.57647%0.469SS*.  trans-85.536.2-172.4-57.5-174.776.300115Q268 S274Q268-M272 PolarHBondContact O-N 3.33Å; Q268-M272 VanDerWaalsContact O-N 3.11Å; M272-S274 PolarHBondContact O-N 3.27Å
273K64.1Low69.1Low136 Ų13683.1 Ų83.159%0.59144%0.444SS*.  trans-83.9102.3177.3-70.8-179.9-177.4168.70110.4N270 I271 T275N270-K273 VanDerWaalsContact OD1-CE 3.3Å; N270-K273 WeakPolarHBondContact OD1-CE 3.27Å; N270-K273 PolarHBondContact OD1-NZ 2.91Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 3.39Å; I271-K273 VanDerWaalsContact O-N 3.09Å; K273-T275 PolarHBondContact O-N 3.34Å
274S74.6Confident70.8Confident64 Ų6478.7 Ų78.745%0.44842%0.422SS..  trans-43.6125.4176.1170.70000113.3M272 L276M272-S274 PolarHBondContact O-N 3.27Å; S274-L276 VanDerWaalsContact C-N 3.31Å; S274-L276 PolarHBondContact O-N 2.94Å; S274-L276 PolarHBondContact OG-N 2.98Å; S274-L276 PolarHBondContact OG-O 3.33Å
275T81.3Confident72.3Confident16 Ų1676 Ų7610%0.09841%0.409CS..  trans-73.5-20.1176.361.50000114.1P193 S243 Q247 K273P193-T275 HydrophobicContact CB-CG2 3.89Å; P193-T275 HydrophobicContact CG-CG2 3.61Å; S243-T275 WeakPolarHBondContact OG-CB 3.48Å; S243-T275 PolarHBondContact OG-OG1 3.13Å; Q247-T275 HydrophobicContact CB-CG2 4.28Å; Q247-T275 HydrophobicContact CG-CG2 4.37Å; K273-T275 PolarHBondContact O-N 3.34Å
276L86.9Confident74.2Confident19 Ų1975.1 Ų75.110%0.09940%0.397CS..SBendtrans-85.7136.5-175.9-54.9-171.3000112.6P196 I240 L244 S274 E280P196-L276 HydrophobicContact CG-CD2 3.41Å; P196-L276 VanDerWaalsContact CG-CD2 3.41Å; I240-L276 HydrophobicContact CB-CD2 4.47Å; I240-L276 HydrophobicContact CG1-CD2 4.49Å; I240-L276 HydrophobicContact CG2-CD1 3.81Å; I240-L276 HydrophobicContact CG2-CD2 3.88Å; L244-L276 HydrophobicContact CD1-CD1 4.11Å; L244-L276 HydrophobicContact CD2-CD1 3.88Å; L244-L276 HydrophobicContact CD2-CG 4.11Å; L244-L276 HydrophobicContact CG-CD1 4.09Å; L244-L276 HydrophobicContact CG-CG 4.46Å; S274-L276 VanDerWaalsContact C-N 3.31Å; S274-L276 PolarHBondContact O-N 2.94Å; S274-L276 PolarHBondContact OG-N 2.98Å; S274-L276 PolarHBondContact OG-O 3.33Å; L276-E280 HydrophobicContact CB-CB 4.25Å; L276-E280 HydrophobicContact CD2-CB 4.42Å
277T86.8Confident75.7Confident78 Ų7873.7 Ų73.748%0.47940%0.396SS..  trans-67.9167.3164.4650000111.8A279 E280 R281T277-A279 VanDerWaalsContact C-N 3.26Å; T277-A279 PolarHBondContact O-N 3.17Å; T277-E280 VanDerWaalsContact CB-OE2 3.26Å; T277-E280 WeakPolarHBondContact CB-OE2 2.89Å; T277-E280 VanDerWaalsContact CG2-OE2 3.27Å; T277-E280 WeakPolarHBondContact CG2-OE2 3.42Å; T277-E280 PolarHBondContact N-OE2 3.12Å; T277-E280 PolarHBondContact O-N 3.01Å; T277-E280 VanDerWaalsContact OG1-CD 3.26Å; T277-E280 WeakPolarHBondContact OG1-CG 3.37Å; T277-E280 PolarHBondContact OG1-N 2.91Å; T277-E280 PolarHBondContact OG1-OE2 3.44Å; T277-R281 WeakPolarHBondContact O-CB 3.38Å; T277-R281 PolarHBondContact O-N 2.66Å
278K83.8Confident77.3Confident198 Ų19873.9 Ų73.986%0.86139%0.391SS*.Hα-helixtrans-59-35.1176.4-172.2-179.1178.6-174.40113H282K278-H282 PolarHBondContact O-N 3.36Å; K278-H282 VanDerWaalsContact O-N 3.11Å
279A85.5Confident78.8Confident73 Ų7368.9 Ų68.960%0.60338%0.381SS*.Hα-helixtrans-73.8-46.1179.300000111.6T277 R281 H282 L283T277-A279 VanDerWaalsContact C-N 3.26Å; T277-A279 PolarHBondContact O-N 3.17Å; A279-R281 VanDerWaalsContact C-N 3.34Å; A279-R281 PolarHBondContact O-N 3.14Å; A279-H282 PolarHBondContact O-N 3.19Å; A279-L283 WeakPolarHBondContact O-CB 3.28Å; A279-L283 PolarHBondContact O-N 3.41Å
280E90Very high80.6Confident15 Ų1567.3 Ų67.37%0.0736%0.357CS..Hα-helixtrans-63-39.8176.2-68.9161.9136.400111.9P196 I240 L276 T277 L283 K284P196-E280 VanDerWaalsContact CB-OE1 3.28Å; P196-E280 WeakPolarHBondContact CB-OE1 3.37Å; P196-E280 WeakPolarHBondContact CD-OE1 3.47Å; P196-E280 VanDerWaalsContact CG-OE1 3.25Å; P196-E280 WeakPolarHBondContact CG-OE1 3.41Å; I240-E280 HydrophobicContact CD1-CB 3.8Å; I240-E280 HydrophobicContact CD1-CG 4.01Å; I240-E280 HydrophobicContact CG1-CB 4.02Å; I240-E280 HydrophobicContact CG1-CG 4.16Å; L276-E280 HydrophobicContact CB-CB 4.25Å; L276-E280 HydrophobicContact CD2-CB 4.42Å; T277-E280 VanDerWaalsContact CB-OE2 3.26Å; T277-E280 WeakPolarHBondContact CB-OE2 2.89Å; T277-E280 VanDerWaalsContact CG2-OE2 3.27Å; T277-E280 WeakPolarHBondContact CG2-OE2 3.42Å; T277-E280 PolarHBondContact N-OE2 3.12Å; T277-E280 PolarHBondContact O-N 3.01Å; T277-E280 VanDerWaalsContact OG1-CD 3.26Å; T277-E280 WeakPolarHBondContact OG1-CG 3.37Å; T277-E280 PolarHBondContact OG1-N 2.91Å; T277-E280 PolarHBondContact OG1-OE2 3.44Å; E280-L283 PolarHBondContact O-N 2.86Å; E280-K284 WeakPolarHBondContact O-CB 3.18Å; E280-K284 PolarHBondContact O-N 3.32Å
281R87.9Confident82.2Confident70 Ų7064.3 Ų64.326%0.26434%0.342SS..Hα-helixtrans-60.6-49.8172168.6165.4-81.1-89.17112T277 A279 L283 K284 D285 E370T277-R281 WeakPolarHBondContact O-CB 3.38Å; T277-R281 PolarHBondContact O-N 2.66Å; A279-R281 VanDerWaalsContact C-N 3.34Å; A279-R281 PolarHBondContact O-N 3.14Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 2.92Å; R281-K284 WeakPolarHBondContact O-CB 3.38Å; R281-K284 PolarHBondContact O-N 3.37Å; R281-K284 VanDerWaalsContact O-N 3.13Å; R281-D285 WeakPolarHBondContact CG-OD2 3.37Å; R281-D285 IonicContact NH1-OD1 2.81Å; R281-D285 IonicContact NH1-OD2 3.2Å; R281-D285 WeakPolarHBondContact O-CB 3.45Å; R281-D285 PolarHBondContact O-N 2.89Å; R281-E370 IonicContact CZ-OE1 3.75Å; R281-E370 IonicContact CZ-OE2 2.64Å; R281-E370 IonicContact NH1-OE1 3.31Å; R281-E370 IonicContact NH1-OE2 2.69Å; R281-E370 PolarHBondContact NH1-OE2 3.5Å; R281-E370 IonicContact NH2-OE1 3.86Å; R281-E370 PolarHBondContact NH2-OE1 3.37Å; R281-E370 IonicContact NH2-OE2 2.71Å; R281-E370 PolarHBondContact NH2-OE2 3.11Å
282H85.9Confident83.6Confident90 Ų9067.8 Ų67.842%0.41736%0.361SS..Hα-helixtrans-62.1-39.1178.517457.4000112.1K278 A279 K284 K286 D292K278-H282 PolarHBondContact O-N 3.36Å; K278-H282 VanDerWaalsContact O-N 3.11Å; A279-H282 PolarHBondContact O-N 3.19Å; H282-K284 VanDerWaalsContact C-N 3.35Å; H282-K286 WeakPolarHBondContact O-CB 3.46Å; H282-K286 PolarHBondContact O-N 3.39Å; H282-D292 IonicContact CE1-OD1 3.04Å; H282-D292 PolarHBondContact CE1-OD1 3.05Å; H282-D292 VanDerWaalsContact CE1-OD1 3.31Å; H282-D292 IonicContact CE1-OD2 3.65Å; H282-D292 IonicContact ND1-OD1 2.91Å
283L89Confident85Confident22 Ų2268 Ų6812%0.11536%0.359CS..Hα-helixtrans-62-41.2173.4174.355.9000111.9D233 R236 L237 I240 A279 E280 R281 S287D233-L283 HydrophobicContact CB-CD1 3.72Å; D233-L283 HydrophobicContact CB-CD2 4.13Å; R236-L283 HydrophobicContact CB-CD2 3.84Å; L237-L283 HydrophobicContact CD1-CD1 4.18Å; L237-L283 HydrophobicContact CD2-CD1 4.36Å; L237-L283 HydrophobicContact CD2-CG 3.88Å; L237-L283 HydrophobicContact CG-CD1 4.19Å; L237-L283 HydrophobicContact CG-CD2 4.26Å; L237-L283 HydrophobicContact CG-CG 3.98Å; I240-L283 HydrophobicContact CD1-CD2 3.94Å; I240-L283 HydrophobicContact CD1-CG 4.31Å; A279-L283 WeakPolarHBondContact O-CB 3.28Å; A279-L283 PolarHBondContact O-N 3.41Å; E280-L283 PolarHBondContact O-N 2.86Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 2.92Å; L283-S287 WeakPolarHBondContact O-CB 3.5Å; L283-S287 PolarHBondContact O-N 3.06Å; L283-S287 PolarHBondContact O-OG 3.46Å
284K89.6Confident86.2Confident39 Ų3962.5 Ų62.517%0.1734%0.337CS..Hα-helixtrans-65.8-54.9175.8-176.350175.1145.20112.1L237 I240 L244 E280 R281 H282 K286 S287 D288L237-K284 HydrophobicContact CD2-CD 4.43Å; I240-K284 HydrophobicContact CG2-CB 3.95Å; I240-K284 HydrophobicContact CG2-CD 4.18Å; I240-K284 HydrophobicContact CG2-CG 4.1Å; L244-K284 HydrophobicContact CD1-CD 4.39Å; L244-K284 HydrophobicContact CD1-CG 4.17Å; E280-K284 WeakPolarHBondContact O-CB 3.18Å; E280-K284 PolarHBondContact O-N 3.32Å; R281-K284 WeakPolarHBondContact O-CB 3.38Å; R281-K284 PolarHBondContact O-N 3.37Å; R281-K284 VanDerWaalsContact O-N 3.13Å; H282-K284 VanDerWaalsContact C-N 3.35Å; K284-K286 PolarHBondContact O-N 2.76Å; K284-S287 WeakPolarHBondContact O-CA 3.5Å; K284-S287 PolarHBondContact O-N 3.15Å; K284-S287 PolarHBondContact O-OG 3.25Å; K284-D288 VanDerWaalsContact CD-OD2 3.22Å; K284-D288 WeakPolarHBondContact CD-OD2 3.47Å; K284-D288 WeakPolarHBondContact CE-OD2 3.3Å; K284-D288 IonicContact NZ-OD1 3.98Å; K284-D288 PolarHBondContact NZ-OD1 3.22Å; K284-D288 IonicContact NZ-OD2 3.72Å; K284-D288 PolarHBondContact NZ-OD2 3.35Å; K284-D288 PolarHBondContact O-N 2.9Å
285D88.3Confident86.8Confident32 Ų3260.5 Ų60.517%0.17132%0.322CS..Hα-helixtrans-49.1-47.9175.5-76.3-44.4000110.2R281 S287 D288 G289 R290R281-D285 WeakPolarHBondContact CG-OD2 3.37Å; R281-D285 IonicContact NH1-OD1 2.81Å; R281-D285 IonicContact NH1-OD2 3.2Å; R281-D285 WeakPolarHBondContact O-CB 3.45Å; R281-D285 PolarHBondContact O-N 2.89Å; D285-S287 PolarHBondContact O-N 3.37Å; D285-D288 PolarHBondContact O-N 3.18Å; D285-G289 PolarHBondContact O-N 2.98Å; D285-R290 HydrophobicContact CB-CB 4.01Å; D285-R290 HydrophobicContact CB-CG 4.47Å; D285-R290 WeakPolarHBondContact O-CB 3.42Å; D285-R290 PolarHBondContact O-N 2.82Å; D285-R290 WeakPolarHBondContact OD1-CD 3.38Å; D285-R290 IonicContact OD1-CZ 3.13Å; D285-R290 IonicContact OD1-NE 3.69Å; D285-R290 IonicContact OD1-NH1 2.78Å; D285-R290 PolarHBondContact OD1-NH1 3.03Å; D285-R290 IonicContact OD2-NH1 3.68Å
286K88.4Confident87Confident131 Ų13164 Ų6457%0.5735%0.345SS*.Hα-helixtrans-64.1-38.1176.4-176.6179.7178.9-175.90113.5H282 K284 D288 G289H282-K286 WeakPolarHBondContact O-CB 3.46Å; H282-K286 PolarHBondContact O-N 3.39Å; K284-K286 PolarHBondContact O-N 2.76Å; K286-D288 VanDerWaalsContact C-N 3.34Å; K286-G289 PolarHBondContact O-N 3.08Å
287S88.4Confident87.2Confident57 Ų5765.9 Ų65.940%0.39936%0.356SS..Hα-helixtrans-71-28.8177.973.30000113.7L237 L283 K284 D285 G289L237-S287 VanDerWaalsContact CD2-OG 3.26Å; L237-S287 WeakPolarHBondContact CD2-OG 3.37Å; L283-S287 WeakPolarHBondContact O-CB 3.5Å; L283-S287 PolarHBondContact O-N 3.06Å; L283-S287 PolarHBondContact O-OG 3.46Å; K284-S287 WeakPolarHBondContact O-CA 3.5Å; K284-S287 PolarHBondContact O-N 3.15Å; K284-S287 PolarHBondContact O-OG 3.25Å; D285-S287 PolarHBondContact O-N 3.37Å; S287-G289 VanDerWaalsContact C-N 3.27Å
288D85.7Confident87.3Confident75 Ų7562.2 Ų62.240%0.40133%0.333SS..THydrogen-bonded Turntrans-83.8-4176.6-64.3-34.5000112.3K284 D285 K286 F355K284-D288 VanDerWaalsContact CD-OD2 3.22Å; K284-D288 WeakPolarHBondContact CD-OD2 3.47Å; K284-D288 WeakPolarHBondContact CE-OD2 3.3Å; K284-D288 IonicContact NZ-OD1 3.98Å; K284-D288 PolarHBondContact NZ-OD1 3.22Å; K284-D288 IonicContact NZ-OD2 3.72Å; K284-D288 PolarHBondContact NZ-OD2 3.35Å; K284-D288 PolarHBondContact O-N 2.9Å; D285-D288 PolarHBondContact O-N 3.18Å; K286-D288 VanDerWaalsContact C-N 3.34Å; D288-F355 HydrophobicContact CB-CE2 4.26Å; D288-F355 VanDerWaalsContact O-CE2 3.31Å; D288-F355 WeakPolarHBondContact O-CE2 3.46Å
289G83.9Confident87.7Confident48 Ų4856 Ų5650%0.49531%0.305SS..THydrogen-bonded Turntrans80.714.8-177.700000114.5D285 K286 S287 P291D285-G289 PolarHBondContact O-N 2.98Å; K286-G289 PolarHBondContact O-N 3.08Å; S287-G289 VanDerWaalsContact C-N 3.27Å; G289-P291 WeakPolarHBondContact O-CD 3.4Å
290R87.5Confident88Confident24 Ų2454.1 Ų54.19%0.09129%0.287CS..PPolyproline II helixtrans-63.2124.4175.4-171.4178-170.6163.62.3109.8D285 M352 F355 E370 D371D285-R290 HydrophobicContact CB-CB 4.01Å; D285-R290 HydrophobicContact CB-CG 4.47Å; D285-R290 WeakPolarHBondContact O-CB 3.42Å; D285-R290 PolarHBondContact O-N 2.82Å; D285-R290 WeakPolarHBondContact OD1-CD 3.38Å; D285-R290 IonicContact OD1-CZ 3.13Å; D285-R290 IonicContact OD1-NE 3.69Å; D285-R290 IonicContact OD1-NH1 2.78Å; D285-R290 PolarHBondContact OD1-NH1 3.03Å; D285-R290 IonicContact OD2-NH1 3.68Å; R290-M352 HydrophobicContact CG-CE 3.83Å; R290-F355 HydrophobicContact CB-CD1 4.19Å; R290-F355 HydrophobicContact CB-CD2 4.49Å; R290-F355 HydrophobicContact CB-CE1 3.66Å; R290-F355 HydrophobicContact CB-CE2 4.01Å; R290-F355 HydrophobicContact CB-CZ 3.55Å; R290-F355 HydrophobicContact CG-CD1 3.96Å; R290-F355 HydrophobicContact CG-CE1 3.5Å; R290-F355 VanDerWaalsContact CG-CE1 3.5Å; R290-F355 HydrophobicContact CG-CZ 3.94Å; R290-E370 IonicContact NH1-OE2 2.73Å; R290-E370 PolarHBondContact NH1-OE2 3.37Å; R290-D371 IonicContact CZ-OD2 3.23Å; R290-D371 IonicContact NH2-OD1 2.81Å; R290-D371 IonicContact NH2-OD2 3.65Å; R290-D371 PolarHBondContact NH2-OD2 3.37Å
291P86.7Confident88Confident24 Ų2454.1 Ų54.116%0.15629%0.287CS..PPolyproline II helixtrans-64.8142.3-177.7-28.538.8000114.1G289 Y348 E351 M352 F355G289-P291 WeakPolarHBondContact O-CD 3.4Å; P291-Y348 HydrophobicContact CB-CD2 3.9Å; P291-Y348 HydrophobicContact CB-CE2 4.09Å; P291-Y348 WeakPolarHBondContact O-CE2 3.24Å; P291-E351 HydrophobicContact CB-CB 4.33Å; P291-E351 HydrophobicContact CB-CG 4.3Å; P291-E351 HydrophobicContact CG-CB 3.78Å; P291-E351 HydrophobicContact CG-CG 3.53Å; P291-M352 HydrophobicContact CB-CE 4.37Å; P291-M352 HydrophobicContact CG-CE 4.44Å; P291-F355 HydrophobicContact CG-CB 4.49Å
292D85.3Confident88.3Confident95 Ų9551.7 Ų51.751%0.50828%0.279SS..PPolyproline II helixtrans-76.9131.2175.7-91-43.8000112.5H282 Y348H282-D292 IonicContact CE1-OD1 3.04Å; H282-D292 PolarHBondContact CE1-OD1 3.05Å; H282-D292 VanDerWaalsContact CE1-OD1 3.31Å; H282-D292 IonicContact CE1-OD2 3.65Å; H282-D292 IonicContact ND1-OD1 2.91Å; D292-Y348 WeakPolarHBondContact O-CD2 3.33Å
293K86.2Confident88.5Confident123 Ų12347.6 Ų47.654%0.53526%0.26SS..PPolyproline II helixtrans-62.1127.4-177-77.9170.7-176.6169.50111.9Y348 D371K293-Y348 HydrophobicContact CB-CE2 4.34Å; K293-Y348 VanDerWaalsContact CE-OH 3.28Å; K293-Y348 WeakPolarHBondContact CE-OH 3.4Å; K293-Y348 HydrophobicContact CG-CE1 4.46Å; K293-Y348 HydrophobicContact CG-CE2 3.71Å; K293-Y348 VanDerWaalsContact CG-OH 3.27Å; K293-Y348 WeakPolarHBondContact CG-OH 3.09Å; K293-D371 IonicContact NZ-OD1 2.75Å; K293-D371 PolarHBondContact NZ-OD1 3.34Å
294P87.8Confident88.5Confident19 Ų1948.6 Ų48.612%0.12327%0.272CS..PPolyproline II helixtrans-69.6148.4178.927-33.8000111.7R344 K345 Y348P294-R344 HydrophobicContact CB-CB 4.14Å; P294-K345 HydrophobicContact CB-CG 4.43Å; P294-K345 HydrophobicContact CG-CB 4.46Å; P294-K345 HydrophobicContact CG-CG 3.77Å; P294-Y348 HydrophobicContact CG-CD1 4.41Å; P294-Y348 HydrophobicContact CG-CG 4.07Å
295P87.6Confident88.5Confident22 Ų2250.1 Ų50.114%0.14328%0.279CS..PPolyproline II helixtrans-50.4140.6171.6-28.834.4000112.9N297 M301 A304 C341P295-N297 VanDerWaalsContact C-N 3.34Å; P295-N297 PolarHBondContact O-N 2.67Å; P295-M301 HydrophobicContact CB-CG 4.09Å; P295-M301 HydrophobicContact CB-SD 3.99Å; P295-M301 HydrophobicContact CG-CG 4.39Å; P295-M301 HydrophobicContact CG-SD 3.69Å; P295-A304 HydrophobicContact CG-CB 4.06Å; P295-C341 PolarHBondContact O-SG 2.65Å
296P85.3Confident88.5Confident89 Ų8949.2 Ų49.258%0.57827%0.274SS*.SBendtrans-74.1-15.9-163.727-36.6000115.5K345P296-K345 WeakPolarHBondContact O-CE 3.46Å; P296-K345 PolarHBondContact O-NZ 2.88Å
297N91.3Very high88.3Confident60 Ų6045.5 Ų45.532%0.32126%0.26SS..SBendtrans-154.8171.8-179.761.264.8000111.1P295 Y299 S300 M301 C341P295-N297 VanDerWaalsContact C-N 3.34Å; P295-N297 PolarHBondContact O-N 2.67Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-Y299 PolarHBondContact O-N 2.84Å; N297-Y299 WeakPolarHBondContact OD1-CA 3.43Å; N297-Y299 WeakPolarHBondContact OD1-CB 3.26Å; N297-Y299 PolarHBondContact OD1-N 2.96Å; N297-S300 PolarHBondContact ND2-OG 2.73Å; N297-S300 PolarHBondContact O-N 3.32Å; N297-S300 PolarHBondContact OD1-N 3.22Å; N297-S300 PolarHBondContact OD1-OG 2.92Å; N297-M301 PolarHBondContact O-N 3.43Å; N297-C341 VanDerWaalsContact C-SG 3.51Å; N297-C341 WeakPolarHBondContact CA-SG 3.44Å; N297-C341 PolarHBondContact N-SG 3.41Å
298G90.1Very high88.1Confident1 Ų146.3 Ų46.31%0.0127%0.265CS..Hα-helixtrans-57.5-38.2179.700000114.9M301 F302G298-M301 WeakPolarHBondContact O-CB 3.42Å; G298-M301 PolarHBondContact O-N 2.99Å; G298-F302 PolarHBondContact O-N 3.34Å
299Y91.8Very high88Confident68 Ų6846.8 Ų46.827%0.26728%0.275SS..Hα-helixtrans-63.5-45.8175172.1-123.2000111.1N297 M301 F302 C303 S323 W326N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-Y299 PolarHBondContact O-N 2.84Å; N297-Y299 WeakPolarHBondContact OD1-CA 3.43Å; N297-Y299 WeakPolarHBondContact OD1-CB 3.26Å; N297-Y299 PolarHBondContact OD1-N 2.96Å; Y299-M301 VanDerWaalsContact C-N 3.3Å; Y299-M301 PolarHBondContact O-N 2.88Å; Y299-F302 WeakPolarHBondContact O-CB 3.26Å; Y299-F302 PolarHBondContact O-N 2.6Å; Y299-C303 WeakPolarHBondContact CE2-SG 3.49Å; Y299-C303 PolarHBondContact O-N 2.92Å; Y299-C303 PolarHBondContact O-SG 2.65Å; Y299-S323 WeakPolarHBondContact OH-CA 3.48Å; Y299-S323 WeakPolarHBondContact OH-CB 3.37Å; Y299-S323 PolarHBondContact OH-N 3.37Å; Y299-W326 HydrophobicContact CD2-CB 3.61Å; Y299-W326 AromaticContact CD2-CD1 3.63Å; Y299-W326 AromaticContact CD2-CD2 3.49Å; Y299-W326 HydrophobicContact CD2-CD2 3.49Å; Y299-W326 VanDerWaalsContact CD2-CD2 3.49Å; Y299-W326 AromaticContact CD2-CE2 3.96Å; Y299-W326 HydrophobicContact CD2-CE3 4.01Å; Y299-W326 AromaticContact CD2-CG 3.28Å; Y299-W326 HydrophobicContact CD2-CG 3.28Å; Y299-W326 HydrophobicContact CE2-CB 3.58Å; Y299-W326 HydrophobicContact CE2-CD2 4.39Å; Y299-W326 AromaticContact CE2-CG 3.75Å; Y299-W326 HydrophobicContact CE2-CG 3.75Å; Y299-W326 HydrophobicContact CG-CD2 4.19Å; Y299-W326 HydrophobicContact CG-CG 4.22Å
300S91.8Very high87.8Confident33 Ų3345.8 Ų45.823%0.23126%0.258CS..Hα-helixtrans-66.8-28.5177.4-54.60000113.3N297 A304N297-S300 PolarHBondContact ND2-OG 2.73Å; N297-S300 PolarHBondContact O-N 3.32Å; N297-S300 PolarHBondContact OD1-N 3.22Å; N297-S300 PolarHBondContact OD1-OG 2.92Å; S300-A304 WeakPolarHBondContact O-CB 3.14Å; S300-A304 PolarHBondContact O-N 3Å
301M90.6Very high87.6Confident15 Ų1552.1 Ų52.17%0.07429%0.286CS..Hα-helixtrans-65.4-49.5168.6-81.6-65.6-65.200111.3P295 N297 G298 Y299 C303 A304 E305 R340 C341 R344P295-M301 HydrophobicContact CB-CG 4.09Å; P295-M301 HydrophobicContact CB-SD 3.99Å; P295-M301 HydrophobicContact CG-CG 4.39Å; P295-M301 HydrophobicContact CG-SD 3.69Å; N297-M301 PolarHBondContact O-N 3.43Å; G298-M301 WeakPolarHBondContact O-CB 3.42Å; G298-M301 PolarHBondContact O-N 2.99Å; Y299-M301 VanDerWaalsContact C-N 3.3Å; Y299-M301 PolarHBondContact O-N 2.88Å; M301-C303 VanDerWaalsContact C-N 3.33Å; M301-C303 PolarHBondContact O-N 3.4Å; M301-A304 PolarHBondContact O-N 3.18Å; M301-A304 VanDerWaalsContact O-N 3.15Å; M301-E305 PolarHBondContact O-N 3.32Å; M301-R340 HydrophobicContact CE-CG 4.21Å; M301-C341 HydrophobicContact CG-CB 3.57Å; M301-R344 HydrophobicContact CE-CG 4.3Å
302F92.9Very high87.5Confident18 Ų1858.4 Ų58.48%0.07932%0.318CS..Hα-helixtrans-58.1-44175.8172.9-104.8000112G298 Y299 A304 E305 L306 R325 W326 L329 Y337G298-F302 PolarHBondContact O-N 3.34Å; Y299-F302 WeakPolarHBondContact O-CB 3.26Å; Y299-F302 PolarHBondContact O-N 2.6Å; F302-A304 PolarHBondContact O-N 2.94Å; F302-E305 PolarHBondContact O-N 2.72Å; F302-L306 HydrophobicContact CE1-CD2 3.77Å; F302-L306 HydrophobicContact CE2-CD2 4.36Å; F302-L306 HydrophobicContact CZ-CD2 3.61Å; F302-L306 VanDerWaalsContact O-CB 3.24Å; F302-L306 WeakPolarHBondContact O-CB 3.35Å; F302-L306 PolarHBondContact O-N 3.34Å; F302-R325 HydrophobicContact CE1-CB 4.08Å; F302-R325 HydrophobicContact CZ-CB 3.74Å; F302-W326 HydrophobicContact CB-CE3 3.79Å; F302-W326 HydrophobicContact CB-CZ3 3.84Å; F302-W326 HydrophobicContact CD1-CB 4.04Å; F302-W326 HydrophobicContact CD1-CD2 4.48Å; F302-W326 AromaticContact CD1-CE3 3.73Å; F302-W326 HydrophobicContact CD1-CE3 3.73Å; F302-W326 HydrophobicContact CE1-CB 3.96Å; F302-W326 HydrophobicContact CE1-CE3 4.49Å; F302-W326 AromaticContact CG-CE3 3.8Å; F302-W326 HydrophobicContact CG-CE3 3.8Å; F302-W326 HydrophobicContact CG-CZ3 4.26Å; F302-L329 HydrophobicContact CD2-CD1 4.06Å; F302-L329 HydrophobicContact CE1-CD1 4.46Å; F302-L329 HydrophobicContact CE2-CD1 3.9Å; F302-L329 HydrophobicContact CG-CD1 4.4Å; F302-L329 HydrophobicContact CZ-CD1 4.1Å; F302-Y337 HydrophobicContact CB-CD1 4.05Å; F302-Y337 HydrophobicContact CB-CD2 4.45Å; F302-Y337 HydrophobicContact CB-CE1 4.23Å; F302-Y337 HydrophobicContact CB-CG 4.19Å; F302-Y337 HydrophobicContact CD2-CD2 4.43Å; F302-Y337 AromaticContact CD2-CE1 3.95Å; F302-Y337 HydrophobicContact CD2-CE1 3.95Å; F302-Y337 AromaticContact CD2-CE2 3.85Å; F302-Y337 HydrophobicContact CD2-CE2 3.85Å; F302-Y337 AromaticContact CD2-CZ 3.59Å
303C90.3Very high87.4Confident5 Ų556.2 Ų56.23%0.03431%0.308CS..Hα-helixtrans-57.8-46173.1-68.10000112.4Y299 M301 M307 C322Y299-C303 WeakPolarHBondContact CE2-SG 3.49Å; Y299-C303 PolarHBondContact O-N 2.92Å; Y299-C303 PolarHBondContact O-SG 2.65Å; M301-C303 VanDerWaalsContact C-N 3.33Å; M301-C303 PolarHBondContact O-N 3.4Å; C303-M307 HydrophobicContact CB-CE 4.19Å; C303-M307 VanDerWaalsContact O-CB 3.24Å; C303-M307 WeakPolarHBondContact O-CB 3.48Å; C303-M307 WeakPolarHBondContact O-CE 3.11Å; C303-M307 WeakPolarHBondContact O-CG 3.47Å; C303-M307 PolarHBondContact O-N 2.76Å; C303-C322 HydrophobicContact CB-CB 4.36Å
304A89.4Confident87.5Confident43 Ų4353.5 Ų53.536%0.35530%0.303SS..Hα-helixtrans-64.6-41.9-178.300000112P295 S300 M301 F302 S308P295-A304 HydrophobicContact CG-CB 4.06Å; S300-A304 WeakPolarHBondContact O-CB 3.14Å; S300-A304 PolarHBondContact O-N 3Å; M301-A304 PolarHBondContact O-N 3.18Å; M301-A304 VanDerWaalsContact O-N 3.15Å; F302-A304 PolarHBondContact O-N 2.94Å; A304-S308 PolarHBondContact O-N 3.33Å
305E90.2Very high87.1Confident70 Ų7055.7 Ų55.733%0.32732%0.319SS..Hα-helixtrans-66.6-47.5177.3-169.1157.8-137.400111.3M301 F302 M307 S308 S309 R340M301-E305 PolarHBondContact O-N 3.32Å; F302-E305 PolarHBondContact O-N 2.72Å; E305-M307 PolarHBondContact O-N 3.12Å; E305-S308 WeakPolarHBondContact O-CB 3.37Å; E305-S308 PolarHBondContact O-N 2.74Å; E305-S308 VanDerWaalsContact O-N 3.11Å; E305-S308 PolarHBondContact O-OG 3.09Å; E305-S309 PolarHBondContact O-N 3.24Å; E305-R340 IonicContact OE1-CZ 3.53Å; E305-R340 VanDerWaalsContact OE1-CZ 3.23Å; E305-R340 IonicContact OE1-NH1 3.93Å; E305-R340 PolarHBondContact OE1-NH1 2.91Å; E305-R340 IonicContact OE1-NH2 3.71Å; E305-R340 PolarHBondContact OE1-NH2 2.78Å; E305-R340 IonicContact OE2-CZ 2.68Å; E305-R340 IonicContact OE2-NH1 3.71Å; E305-R340 PolarHBondContact OE2-NH1 2.87Å; E305-R340 IonicContact OE2-NH2 3.46Å
306L87Confident86.9Confident13 Ų1359.9 Ų59.97%0.06834%0.344CS..Hα-helixtrans-70-29.7179.1179.956.3000113.8F302 S308 S309 M310 C322 R325F302-L306 HydrophobicContact CE1-CD2 3.77Å; F302-L306 HydrophobicContact CE2-CD2 4.36Å; F302-L306 HydrophobicContact CZ-CD2 3.61Å; F302-L306 VanDerWaalsContact O-CB 3.24Å; F302-L306 WeakPolarHBondContact O-CB 3.35Å; F302-L306 PolarHBondContact O-N 3.34Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S309 PolarHBondContact O-OG 3.07Å; L306-M310 HydrophobicContact CD1-CE 3.77Å; L306-M310 HydrophobicContact CD1-CG 4.17Å; L306-M310 HydrophobicContact CD1-SD 3.7Å; L306-M310 HydrophobicContact CD2-CE 4.49Å; L306-M310 HydrophobicContact CG-CE 3.79Å; L306-M310 HydrophobicContact CG-SD 4.4Å; L306-C322 HydrophobicContact CD2-CB 4.29Å; L306-R325 HydrophobicContact CD2-CB 4.39Å
307M85.6Confident87.1Confident54 Ų5460.4 Ų60.427%0.26634%0.339SS..Hα-helixtrans-71-27.1169.9-75.6-172.8-64.600112.4C303 E305 S309 R318 M319C303-M307 HydrophobicContact CB-CE 4.19Å; C303-M307 VanDerWaalsContact O-CB 3.24Å; C303-M307 WeakPolarHBondContact O-CB 3.48Å; C303-M307 WeakPolarHBondContact O-CE 3.11Å; C303-M307 WeakPolarHBondContact O-CG 3.47Å; C303-M307 PolarHBondContact O-N 2.76Å; E305-M307 PolarHBondContact O-N 3.12Å; M307-S309 VanDerWaalsContact C-N 3.34Å; M307-R318 HydrophobicContact CG-CB 4.11Å; M307-M319 HydrophobicContact CE-CE 4.02Å; M307-M319 HydrophobicContact SD-CE 3.7Å
308S84.4Confident86.9Confident73 Ų7360 Ų6051%0.5133%0.332SS..Hα-helixtrans-74.2-24.2179.777.90000113.8A304 E305 L306 K311A304-S308 PolarHBondContact O-N 3.33Å; E305-S308 WeakPolarHBondContact O-CB 3.37Å; E305-S308 PolarHBondContact O-N 2.74Å; E305-S308 VanDerWaalsContact O-N 3.11Å; E305-S308 PolarHBondContact O-OG 3.09Å; L306-S308 VanDerWaalsContact C-N 3.31Å; S308-K311 WeakPolarHBondContact O-CE 2.88Å
309S83.5Confident86.8Confident85 Ų8563.9 Ų63.959%0.59435%0.352SS*.Hα-helixtrans-97.6-11.6-178.756.90000115.2E305 L306 M307E305-S309 PolarHBondContact O-N 3.24Å; L306-S309 PolarHBondContact O-OG 3.07Å; M307-S309 VanDerWaalsContact C-N 3.34Å
310M79.3Confident86.8Confident28 Ų2864.3 Ų64.314%0.13836%0.361CS..  trans-11859.4179.3-57.2-172.6-4800110.7L306 D312 R318 M321L306-M310 HydrophobicContact CD1-CE 3.77Å; L306-M310 HydrophobicContact CD1-CG 4.17Å; L306-M310 HydrophobicContact CD1-SD 3.7Å; L306-M310 HydrophobicContact CD2-CE 4.49Å; L306-M310 HydrophobicContact CG-CE 3.79Å; L306-M310 HydrophobicContact CG-SD 4.4Å; M310-D312 VanDerWaalsContact C-N 3.28Å; M310-D312 PolarHBondContact O-N 3.38Å; M310-R318 HydrophobicContact CE-CG 4.43Å; M310-R318 WeakPolarHBondContact O-CD 3.26Å; M310-M321 HydrophobicContact CE-CB 4.09Å
311K82Confident86.6Confident156 Ų15666 Ų6668%0.67837%0.366SS*.THydrogen-bonded Turntrans-65.5-31.5-169.5-67.8179.8-177.31720113.5S308 R318S308-K311 WeakPolarHBondContact O-CE 2.88Å; K311-R318 PolarHBondContact O-NH1 2.96Å
312D84.8Confident86.6Confident156 Ų15665.2 Ų65.283%0.83436%0.362SS*.THydrogen-bonded Turntrans-84.4-12.3-167.8-38.1-79.5000112.8M310M310-D312 VanDerWaalsContact C-N 3.28Å; M310-D312 PolarHBondContact O-N 3.38Å
313V84.2Confident86.5Confident50 Ų5066.1 Ų66.130%0.30337%0.371SS..SBendtrans-86.6136.4175.8177.50000110.1E317 R318V313-E317 HydrophobicContact CG1-CB 3.69Å; V313-R318 HydrophobicContact CB-CG 3.83Å; V313-R318 HydrophobicContact CG1-CG 3.84Å; V313-R318 WeakPolarHBondContact O-CD 3.22Å; V313-R318 WeakPolarHBondContact O-CG 3.37Å; V313-R318 PolarHBondContact O-NE 2.72Å; V313-R318 PolarHBondContact O-NH1 3.25Å
314P88.6Confident86.6Confident65 Ų6570.6 Ų70.642%0.42239%0.391SS..  trans-53.9144.2177.4-30.437.9000114.6T316 E317 R318P314-T316 PolarHBondContact O-N 2.88Å; P314-T316 VanDerWaalsContact O-N 3.13Å; P314-E317 WeakPolarHBondContact CG-OE1 3.23Å; P314-E317 PolarHBondContact O-N 3.12Å; P314-E317 VanDerWaalsContact O-N 3.08Å; P314-R318 WeakPolarHBondContact O-CG 3.35Å; P314-R318 PolarHBondContact O-N 3.31Å
315S78.1Confident86.7Confident66 Ų6674.3 Ų74.346%0.46240%0.396SS..Hα-helixtrans-67-22.5-167.4-154.20000115.4R318 M319S315-R318 PolarHBondContact OG-NH2 2.95Å; S315-M319 PolarHBondContact O-N 2.83Å
316T83.9Confident86.8Confident109 Ų10973.5 Ų73.567%0.66939%0.39SS*.Hα-helixtrans-67.1-53.7170.439.70000110.7P314 R318 M319 V320P314-T316 PolarHBondContact O-N 2.88Å; P314-T316 VanDerWaalsContact O-N 3.13Å; T316-R318 PolarHBondContact O-N 3.25Å; T316-M319 WeakPolarHBondContact O-CB 3.37Å; T316-M319 PolarHBondContact O-N 3.14Å; T316-M319 VanDerWaalsContact O-N 3.13Å; T316-V320 PolarHBondContact O-N 3.27Å
317E89.3Confident87.1Confident100 Ų10080.5 Ų80.547%0.46742%0.42SS..Hα-helixtrans-61.3-41.5177.6-69.9164.4-130.200112.3V313 P314 M319 V320 M321V313-E317 HydrophobicContact CG1-CB 3.69Å; P314-E317 WeakPolarHBondContact CG-OE1 3.23Å; P314-E317 PolarHBondContact O-N 3.12Å; P314-E317 VanDerWaalsContact O-N 3.08Å; E317-M319 PolarHBondContact O-N 3.39Å; E317-V320 WeakPolarHBondContact O-CB 3.37Å; E317-V320 PolarHBondContact O-N 3.11Å; E317-M321 WeakPolarHBondContact O-CG 3.27Å; E317-M321 PolarHBondContact O-N 2.7Å
318R87.4Confident87.5Confident51 Ų5185 Ų8519%0.19244%0.444CS..Hα-helixtrans-53.8-40.7174-66.8-172.4-58.7-128.59.7111.9M307 M310 K311 V313 P314 S315 T316 M321 C322M307-R318 HydrophobicContact CG-CB 4.11Å; M310-R318 HydrophobicContact CE-CG 4.43Å; M310-R318 WeakPolarHBondContact O-CD 3.26Å; K311-R318 PolarHBondContact O-NH1 2.96Å; V313-R318 HydrophobicContact CB-CG 3.83Å; V313-R318 HydrophobicContact CG1-CG 3.84Å; V313-R318 WeakPolarHBondContact O-CD 3.22Å; V313-R318 WeakPolarHBondContact O-CG 3.37Å; V313-R318 PolarHBondContact O-NE 2.72Å; V313-R318 PolarHBondContact O-NH1 3.25Å; P314-R318 WeakPolarHBondContact O-CG 3.35Å; P314-R318 PolarHBondContact O-N 3.31Å; S315-R318 PolarHBondContact OG-NH2 2.95Å; T316-R318 PolarHBondContact O-N 3.25Å; R318-M321 PolarHBondContact O-N 2.8Å; R318-C322 PolarHBondContact O-N 3.43Å; R318-C322 PolarHBondContact O-SG 3.02Å
319M87.3Confident87.9Confident84 Ų8483 Ų8341%0.41443%0.428SS..Hα-helixtrans-70.2-38.6178.6-165.359.460.800112.1M307 S315 T316 E317 C322 S323M307-M319 HydrophobicContact CE-CE 4.02Å; M307-M319 HydrophobicContact SD-CE 3.7Å; S315-M319 PolarHBondContact O-N 2.83Å; T316-M319 WeakPolarHBondContact O-CB 3.37Å; T316-M319 PolarHBondContact O-N 3.14Å; T316-M319 VanDerWaalsContact O-N 3.13Å; E317-M319 PolarHBondContact O-N 3.39Å; M319-C322 PolarHBondContact O-N 3Å; M319-S323 PolarHBondContact O-N 3Å
320V91.5Very high88.4Confident76 Ų7686.4 Ų86.446%0.46143%0.432SS..Hα-helixtrans-60.4-49.5172.5176.40000110.3T316 E317 C322 S323 Q324T316-V320 PolarHBondContact O-N 3.27Å; E317-V320 WeakPolarHBondContact O-CB 3.37Å; E317-V320 PolarHBondContact O-N 3.11Å; V320-C322 VanDerWaalsContact C-N 3.33Å; V320-C322 PolarHBondContact O-N 3.05Å; V320-S323 WeakPolarHBondContact O-CB 3.36Å; V320-S323 PolarHBondContact O-N 3.2Å; V320-S323 PolarHBondContact O-OG 3.37Å; V320-Q324 HydrophobicContact CG1-CG 4.49Å; V320-Q324 WeakPolarHBondContact O-CG 3.48Å; V320-Q324 PolarHBondContact O-N 3.44Å
321M87.9Confident89Confident68 Ų6890.4 Ų90.434%0.33545%0.45SS..Hα-helixtrans-59.6-40177.8-69-68.3-91.600112.3M310 E317 R318 Q324 R325M310-M321 HydrophobicContact CE-CB 4.09Å; E317-M321 WeakPolarHBondContact O-CG 3.27Å; E317-M321 PolarHBondContact O-N 2.7Å; R318-M321 PolarHBondContact O-N 2.8Å; M321-Q324 PolarHBondContact O-N 2.82Å; M321-R325 WeakPolarHBondContact O-CG 3.39Å; M321-R325 PolarHBondContact O-N 2.92Å
322C91.3Very high89.6Confident0 Ų089.4 Ų89.40%045%0.452CS..Hα-helixtrans-60.9-43.9172.1-67.10000112.1C303 L306 R318 M319 V320 Q324 W326C303-C322 HydrophobicContact CB-CB 4.36Å; L306-C322 HydrophobicContact CD2-CB 4.29Å; R318-C322 PolarHBondContact O-N 3.43Å; R318-C322 PolarHBondContact O-SG 3.02Å; M319-C322 PolarHBondContact O-N 3Å; V320-C322 VanDerWaalsContact C-N 3.33Å; V320-C322 PolarHBondContact O-N 3.05Å; C322-Q324 VanDerWaalsContact C-N 3.34Å; C322-Q324 PolarHBondContact O-N 3.09Å; C322-W326 VanDerWaalsContact O-CB 3.26Å; C322-W326 WeakPolarHBondContact O-CB 3.32Å; C322-W326 PolarHBondContact O-N 3.09Å
323S90.6Very high90Very high37 Ų3785.8 Ų85.826%0.25943%0.43SS..Hα-helixtrans-65.7-35.7179.382.90000112.9Y299 M319 V320 K327Y299-S323 WeakPolarHBondContact OH-CA 3.48Å; Y299-S323 WeakPolarHBondContact OH-CB 3.37Å; Y299-S323 PolarHBondContact OH-N 3.37Å; M319-S323 PolarHBondContact O-N 3Å; V320-S323 WeakPolarHBondContact O-CB 3.36Å; V320-S323 PolarHBondContact O-N 3.2Å; V320-S323 PolarHBondContact O-OG 3.37Å; S323-K327 WeakPolarHBondContact O-CG 3.25Å; S323-K327 PolarHBondContact O-N 2.88Å
324Q93.1Very high90.4Very high98 Ų9885.1 Ų85.146%0.45842%0.423SS..Hα-helixtrans-70.3-53.6177.3-69.5176.81.700111V320 M321 C322 W326 K327 L328V320-Q324 HydrophobicContact CG1-CG 4.49Å; V320-Q324 WeakPolarHBondContact O-CG 3.48Å; V320-Q324 PolarHBondContact O-N 3.44Å; M321-Q324 PolarHBondContact O-N 2.82Å; C322-Q324 VanDerWaalsContact C-N 3.34Å; C322-Q324 PolarHBondContact O-N 3.09Å; Q324-W326 VanDerWaalsContact C-N 3.31Å; Q324-W326 PolarHBondContact O-N 3.34Å; Q324-K327 WeakPolarHBondContact O-CB 3.11Å; Q324-K327 PolarHBondContact O-N 3.16Å; Q324-K327 VanDerWaalsContact O-N 3.11Å; Q324-L328 PolarHBondContact O-N 3.39Å
325R90.1Very high90.6Very high122 Ų12285 Ų8546%0.4642%0.419SS..Hα-helixtrans-62.1-37.5179.8-67.5-173.1-178.4-179.51.7112F302 L306 M321 K327 L328 L329F302-R325 HydrophobicContact CE1-CB 4.08Å; F302-R325 HydrophobicContact CZ-CB 3.74Å; L306-R325 HydrophobicContact CD2-CB 4.39Å; M321-R325 WeakPolarHBondContact O-CG 3.39Å; M321-R325 PolarHBondContact O-N 2.92Å; R325-K327 VanDerWaalsContact C-N 3.34Å; R325-K327 PolarHBondContact O-N 2.87Å; R325-L328 PolarHBondContact O-N 3.4Å; R325-L329 PolarHBondContact O-N 2.76Å
326W92.9Very high91.4Very high53 Ų5384.5 Ų84.520%0.20142%0.419CS..Hα-helixtrans-64.1-33.8175.2-178.8-99.1000113.3Y299 F302 C322 Q324 L328 L329 K334 Y337Y299-W326 HydrophobicContact CD2-CB 3.61Å; Y299-W326 AromaticContact CD2-CD1 3.63Å; Y299-W326 AromaticContact CD2-CD2 3.49Å; Y299-W326 HydrophobicContact CD2-CD2 3.49Å; Y299-W326 VanDerWaalsContact CD2-CD2 3.49Å; Y299-W326 AromaticContact CD2-CE2 3.96Å; Y299-W326 HydrophobicContact CD2-CE3 4.01Å; Y299-W326 AromaticContact CD2-CG 3.28Å; Y299-W326 HydrophobicContact CD2-CG 3.28Å; Y299-W326 HydrophobicContact CE2-CB 3.58Å; Y299-W326 HydrophobicContact CE2-CD2 4.39Å; Y299-W326 AromaticContact CE2-CG 3.75Å; Y299-W326 HydrophobicContact CE2-CG 3.75Å; Y299-W326 HydrophobicContact CG-CD2 4.19Å; Y299-W326 HydrophobicContact CG-CG 4.22Å; F302-W326 HydrophobicContact CB-CE3 3.79Å; F302-W326 HydrophobicContact CB-CZ3 3.84Å; F302-W326 HydrophobicContact CD1-CB 4.04Å; F302-W326 HydrophobicContact CD1-CD2 4.48Å; F302-W326 AromaticContact CD1-CE3 3.73Å; F302-W326 HydrophobicContact CD1-CE3 3.73Å; F302-W326 HydrophobicContact CE1-CB 3.96Å; F302-W326 HydrophobicContact CE1-CE3 4.49Å; F302-W326 AromaticContact CG-CE3 3.8Å; F302-W326 HydrophobicContact CG-CE3 3.8Å; F302-W326 HydrophobicContact CG-CZ3 4.26Å; C322-W326 VanDerWaalsContact O-CB 3.26Å; C322-W326 WeakPolarHBondContact O-CB 3.32Å; C322-W326 PolarHBondContact O-N 3.09Å; Q324-W326 VanDerWaalsContact C-N 3.31Å; Q324-W326 PolarHBondContact O-N 3.34Å; W326-L328 VanDerWaalsContact C-N 3.31Å; W326-L328 PolarHBondContact O-N 3.43Å; W326-L329 HydrophobicContact CD2-CD1 4.48Å; W326-L329 HydrophobicContact CE3-CD1 3.69Å; W326-L329 HydrophobicContact CZ3-CD1 4.17Å; W326-K334 HydrophobicContact CD2-CG 4.32Å; W326-K334 HydrophobicContact CE3-CG 4.36Å; W326-K334 HydrophobicContact CH2-CB 3.73Å; W326-K334 HydrophobicContact CH2-CG 3.73Å; W326-K334 HydrophobicContact CZ2-CB 3.86Å; W326-K334 HydrophobicContact CZ2-CD 4.25Å; W326-K334 HydrophobicContact CZ2-CG 3.66Å; W326-K334 HydrophobicContact CZ3-CB 4.41Å; W326-K334 HydrophobicContact CZ3-CG 4.09Å; W326-K334 WeakPolarHBondContact O-CE 3.31Å; W326-K334 PolarHBondContact O-NZ 2.96Å; W326-Y337 AromaticContact CZ3-CD2 3.93Å; W326-Y337 HydrophobicContact CZ3-CD2 3.93Å; W326-Y337 HydrophobicContact CZ3-CG 4.17Å
327K93.8Very high91.9Very high159 Ų15982 Ų8269%0.69140%0.398SS*.Hα-helixtrans-60.1-44.9173.6-74.5169.1-177178.10110.8S323 Q324 R325 K334S323-K327 WeakPolarHBondContact O-CG 3.25Å; S323-K327 PolarHBondContact O-N 2.88Å; Q324-K327 WeakPolarHBondContact O-CB 3.11Å; Q324-K327 PolarHBondContact O-N 3.16Å; Q324-K327 VanDerWaalsContact O-N 3.11Å; R325-K327 VanDerWaalsContact C-N 3.34Å; R325-K327 PolarHBondContact O-N 2.87Å; K327-K334 PolarHBondContact O-NZ 2.66Å; K327-K334 VanDerWaalsContact O-NZ 3.1Å
328L93.1Very high92Very high149 Ų14980.2 Ų80.278%0.7839%0.389SS*.Hα-helixtrans-71.3-24.4-176.3-61.7173.5000114.9Q324 R325 W326Q324-L328 PolarHBondContact O-N 3.39Å; R325-L328 PolarHBondContact O-N 3.4Å; W326-L328 VanDerWaalsContact C-N 3.31Å; W326-L328 PolarHBondContact O-N 3.43Å
329L92.8Very high92.3Very high32 Ų3284.8 Ų84.817%0.16841%0.411CS..SBendtrans-59.3142.3176.6-73174.4000112.5F302 R325 W326 E333 K334 Y337F302-L329 HydrophobicContact CD2-CD1 4.06Å; F302-L329 HydrophobicContact CE1-CD1 4.46Å; F302-L329 HydrophobicContact CE2-CD1 3.9Å; F302-L329 HydrophobicContact CG-CD1 4.4Å; F302-L329 HydrophobicContact CZ-CD1 4.1Å; R325-L329 PolarHBondContact O-N 2.76Å; W326-L329 HydrophobicContact CD2-CD1 4.48Å; W326-L329 HydrophobicContact CE3-CD1 3.69Å; W326-L329 HydrophobicContact CZ3-CD1 4.17Å; L329-E333 HydrophobicContact CB-CB 4.41Å; L329-E333 HydrophobicContact CD2-CB 4.17Å; L329-K334 HydrophobicContact CB-CG 4.08Å; L329-K334 VanDerWaalsContact O-CE 3.3Å; L329-K334 WeakPolarHBondContact O-CE 3.48Å; L329-K334 PolarHBondContact O-NZ 2.68Å; L329-Y337 HydrophobicContact CD1-CD2 4.23Å; L329-Y337 HydrophobicContact CD1-CE2 3.88Å
330K94.3Very high92.6Very high155 Ų15586.7 Ų86.767%0.67441%0.413SS*.  trans-71.3158173.5-61.7169.6-177.7170.50110.4N332 E333 K334K330-N332 VanDerWaalsContact C-N 3.33Å; K330-N332 PolarHBondContact O-N 3.24Å; K330-E333 HydrophobicContact CB-CG 4.33Å; K330-E333 WeakPolarHBondContact CB-OE2 3.5Å; K330-E333 PolarHBondContact N-OE2 2.8Å; K330-E333 WeakPolarHBondContact O-CB 3.3Å; K330-E333 PolarHBondContact O-N 2.79Å; K330-E333 VanDerWaalsContact O-N 3.11Å; K330-K334 PolarHBondContact O-N 2.59Å; K330-K334 VanDerWaalsContact O-N 3.12Å
331Q92.4Very high92.6Very high112 Ų11283 Ų8352%0.52339%0.391SS..Hα-helixtrans-60.2-42.1-177.3-170.257.53900112.3E333 K334 D335Q331-E333 PolarHBondContact O-N 3.29Å; Q331-K334 WeakPolarHBondContact O-CB 3.44Å; Q331-K334 PolarHBondContact O-N 3.08Å; Q331-K334 VanDerWaalsContact O-N 3.09Å; Q331-D335 PolarHBondContact NE2-OD1 3.5Å; Q331-D335 PolarHBondContact O-N 3.42Å
332N94.3Very high92.8Very high135 Ų13584.1 Ų84.172%0.72240%0.395SS*.Hα-helixtrans-57.1-33.7177.4-5812.6000112.9K330 A336K330-N332 VanDerWaalsContact C-N 3.33Å; K330-N332 PolarHBondContact O-N 3.24Å; N332-A336 PolarHBondContact O-N 3.23Å; N332-A336 VanDerWaalsContact O-N 3.1Å
333E93.4Very high92.9Very high80 Ų8088.3 Ų88.337%0.37442%0.415SS..Hα-helixtrans-74.9-44.5177.8-59.3170.8128.500110.2L329 K330 Q331 D335 A336 Y337L329-E333 HydrophobicContact CB-CB 4.41Å; L329-E333 HydrophobicContact CD2-CB 4.17Å; K330-E333 HydrophobicContact CB-CG 4.33Å; K330-E333 WeakPolarHBondContact CB-OE2 3.5Å; K330-E333 PolarHBondContact N-OE2 2.8Å; K330-E333 WeakPolarHBondContact O-CB 3.3Å; K330-E333 PolarHBondContact O-N 2.79Å; K330-E333 VanDerWaalsContact O-N 3.11Å; Q331-E333 PolarHBondContact O-N 3.29Å; E333-D335 VanDerWaalsContact C-N 3.28Å; E333-D335 PolarHBondContact O-N 2.82Å; E333-A336 WeakPolarHBondContact O-CB 3.5Å; E333-A336 PolarHBondContact O-N 2.91Å; E333-A336 VanDerWaalsContact O-N 3.1Å; E333-Y337 WeakPolarHBondContact O-CD2 3.46Å; E333-Y337 PolarHBondContact O-N 2.89Å
334K92.4Very high92.9Very high36 Ų3690.6 Ų90.616%0.15742%0.418CS..Hα-helixtrans-57.4-41.2173.3-67.7167.6164.8145.20111.7W326 K327 L329 K330 Q331 Y337 Q338W326-K334 HydrophobicContact CD2-CG 4.32Å; W326-K334 HydrophobicContact CE3-CG 4.36Å; W326-K334 HydrophobicContact CH2-CB 3.73Å; W326-K334 HydrophobicContact CH2-CG 3.73Å; W326-K334 HydrophobicContact CZ2-CB 3.86Å; W326-K334 HydrophobicContact CZ2-CD 4.25Å; W326-K334 HydrophobicContact CZ2-CG 3.66Å; W326-K334 HydrophobicContact CZ3-CB 4.41Å; W326-K334 HydrophobicContact CZ3-CG 4.09Å; W326-K334 WeakPolarHBondContact O-CE 3.31Å; W326-K334 PolarHBondContact O-NZ 2.96Å; K327-K334 PolarHBondContact O-NZ 2.66Å; K327-K334 VanDerWaalsContact O-NZ 3.1Å; L329-K334 HydrophobicContact CB-CG 4.08Å; L329-K334 VanDerWaalsContact O-CE 3.3Å; L329-K334 WeakPolarHBondContact O-CE 3.48Å; L329-K334 PolarHBondContact O-NZ 2.68Å; K330-K334 PolarHBondContact O-N 2.59Å; K330-K334 VanDerWaalsContact O-N 3.12Å; Q331-K334 WeakPolarHBondContact O-CB 3.44Å; Q331-K334 PolarHBondContact O-N 3.08Å; Q331-K334 VanDerWaalsContact O-N 3.09Å; K334-Y337 PolarHBondContact O-N 3.29Å; K334-Q338 PolarHBondContact O-N 3.07Å
335D93.3Very high92.7Very high64 Ų6489.4 Ų89.434%0.34241%0.411SS..Hα-helixtrans-68.4-33.5176.3-64.3-19.6000112.2Q331 E333 Q338 K339Q331-D335 PolarHBondContact NE2-OD1 3.5Å; Q331-D335 PolarHBondContact O-N 3.42Å; E333-D335 VanDerWaalsContact C-N 3.28Å; E333-D335 PolarHBondContact O-N 2.82Å; D335-Q338 PolarHBondContact O-N 2.91Å; D335-K339 WeakPolarHBondContact O-CG 3.33Å; D335-K339 PolarHBondContact O-N 3.06Å
336A95.1Very high92.8Very high55 Ų5589.2 Ų89.246%0.45541%0.414SS..Hα-helixtrans-66.2-44.1172.600000111.7N332 E333 Q338 K339 R340N332-A336 PolarHBondContact O-N 3.23Å; N332-A336 VanDerWaalsContact O-N 3.1Å; E333-A336 WeakPolarHBondContact O-CB 3.5Å; E333-A336 PolarHBondContact O-N 2.91Å; E333-A336 VanDerWaalsContact O-N 3.1Å; A336-Q338 VanDerWaalsContact C-N 3.32Å; A336-Q338 PolarHBondContact O-N 3.01Å; A336-K339 PolarHBondContact O-N 3Å; A336-R340 WeakPolarHBondContact O-CB 3.42Å; A336-R340 PolarHBondContact O-N 2.91Å
337Y93.6Very high92.6Very high55 Ų5590.9 Ų90.922%0.21642%0.424CS..Hα-helixtrans-62.8-36.5172.6-72.9-71.2000112.5F302 W326 L329 E333 K334 R340 C341F302-Y337 HydrophobicContact CB-CD1 4.05Å; F302-Y337 HydrophobicContact CB-CD2 4.45Å; F302-Y337 HydrophobicContact CB-CE1 4.23Å; F302-Y337 HydrophobicContact CB-CG 4.19Å; F302-Y337 HydrophobicContact CD2-CD2 4.43Å; F302-Y337 AromaticContact CD2-CE1 3.95Å; F302-Y337 HydrophobicContact CD2-CE1 3.95Å; F302-Y337 AromaticContact CD2-CE2 3.85Å; F302-Y337 HydrophobicContact CD2-CE2 3.85Å; F302-Y337 AromaticContact CD2-CZ 3.59Å; W326-Y337 AromaticContact CZ3-CD2 3.93Å; W326-Y337 HydrophobicContact CZ3-CD2 3.93Å; W326-Y337 HydrophobicContact CZ3-CG 4.17Å; L329-Y337 HydrophobicContact CD1-CD2 4.23Å; L329-Y337 HydrophobicContact CD1-CE2 3.88Å; E333-Y337 WeakPolarHBondContact O-CD2 3.46Å; E333-Y337 PolarHBondContact O-N 2.89Å; K334-Y337 PolarHBondContact O-N 3.29Å; Y337-R340 PolarHBondContact O-N 3.45Å; Y337-C341 WeakPolarHBondContact O-CB 3.29Å; Y337-C341 PolarHBondContact O-N 3.48Å
338Q92Very high92.5Very high63 Ų6385.4 Ų85.429%0.29440%0.399SS..Hα-helixtrans-65.6-45174.5-178.760.624.100111.9K334 D335 A336 R340 C341 E342K334-Q338 PolarHBondContact O-N 3.07Å; D335-Q338 PolarHBondContact O-N 2.91Å; A336-Q338 VanDerWaalsContact C-N 3.32Å; A336-Q338 PolarHBondContact O-N 3.01Å; Q338-R340 VanDerWaalsContact C-N 3.35Å; Q338-R340 PolarHBondContact O-N 3.27Å; Q338-C341 VanDerWaalsContact O-CB 3.32Å; Q338-C341 WeakPolarHBondContact O-CB 3.4Å; Q338-C341 PolarHBondContact O-N 3.16Å; Q338-E342 PolarHBondContact NE2-OE1 3.4Å; Q338-E342 WeakPolarHBondContact O-CG 3.48Å; Q338-E342 PolarHBondContact O-N 3.25Å
339K93.8Very high92.2Very high148 Ų14884.2 Ų84.264%0.64339%0.39SS*.Hα-helixtrans-60.1-42.2173.4-73.1169.1-177.2174.70112.1D335 A336 C341 E342 Q343D335-K339 WeakPolarHBondContact O-CG 3.33Å; D335-K339 PolarHBondContact O-N 3.06Å; A336-K339 PolarHBondContact O-N 3Å; K339-C341 PolarHBondContact O-N 2.7Å; K339-E342 PolarHBondContact O-N 2.97Å; K339-Q343 WeakPolarHBondContact O-CB 3.32Å; K339-Q343 PolarHBondContact O-N 3.13Å
340R92.6Very high92.1Very high123 Ų12387.9 Ų87.946%0.46441%0.408SS..Hα-helixtrans-65.7-35.7176.2-165.4175175.8-160.1-3.7112.2M301 E305 A336 Y337 Q338 R344M301-R340 HydrophobicContact CE-CG 4.21Å; E305-R340 IonicContact OE1-CZ 3.53Å; E305-R340 VanDerWaalsContact OE1-CZ 3.23Å; E305-R340 IonicContact OE1-NH1 3.93Å; E305-R340 PolarHBondContact OE1-NH1 2.91Å; E305-R340 IonicContact OE1-NH2 3.71Å; E305-R340 PolarHBondContact OE1-NH2 2.78Å; E305-R340 IonicContact OE2-CZ 2.68Å; E305-R340 IonicContact OE2-NH1 3.71Å; E305-R340 PolarHBondContact OE2-NH1 2.87Å; E305-R340 IonicContact OE2-NH2 3.46Å; A336-R340 WeakPolarHBondContact O-CB 3.42Å; A336-R340 PolarHBondContact O-N 2.91Å; Y337-R340 PolarHBondContact O-N 3.45Å; Q338-R340 VanDerWaalsContact C-N 3.35Å; Q338-R340 PolarHBondContact O-N 3.27Å; R340-R344 WeakPolarHBondContact O-CB 3.47Å; R340-R344 PolarHBondContact O-N 3.01Å
341C92.6Very high91.8Very high0 Ų084 Ų840%039%0.393CS..Hα-helixtrans-61.9-46.6170.6177.10000112P295 N297 M301 Y337 Q338 K339 R344 K345P295-C341 PolarHBondContact O-SG 2.65Å; N297-C341 VanDerWaalsContact C-SG 3.51Å; N297-C341 WeakPolarHBondContact CA-SG 3.44Å; N297-C341 PolarHBondContact N-SG 3.41Å; M301-C341 HydrophobicContact CG-CB 3.57Å; Y337-C341 WeakPolarHBondContact O-CB 3.29Å; Y337-C341 PolarHBondContact O-N 3.48Å; Q338-C341 VanDerWaalsContact O-CB 3.32Å; Q338-C341 WeakPolarHBondContact O-CB 3.4Å; Q338-C341 PolarHBondContact O-N 3.16Å; K339-C341 PolarHBondContact O-N 2.7Å; C341-R344 PolarHBondContact O-N 3.32Å; C341-K345 WeakPolarHBondContact O-CG 3.44Å; C341-K345 PolarHBondContact O-N 3.22Å; C341-K345 WeakPolarHBondContact SG-CE 3.42Å; C341-K345 PolarHBondContact SG-NZ 3.23Å; C341-K345 VanDerWaalsContact SG-NZ 3.37Å
342E91Very high91.5Very high90 Ų9079.6 Ų79.642%0.42137%0.372SS..Hα-helixtrans-67.1-36.2179.3-72.4170-163.300112.8Q338 K339 K345 K346Q338-E342 PolarHBondContact NE2-OE1 3.4Å; Q338-E342 WeakPolarHBondContact O-CG 3.48Å; Q338-E342 PolarHBondContact O-N 3.25Å; K339-E342 PolarHBondContact O-N 2.97Å; E342-K345 PolarHBondContact O-N 2.98Å; E342-K346 WeakPolarHBondContact O-CG 3.37Å; E342-K346 PolarHBondContact O-N 3.43Å
343Q93.4Very high91.1Very high89 Ų8977.3 Ų77.342%0.41636%0.36SS..Hα-helixtrans-64.6-49.8172.7-179.256.124.500111.5K339 K345 K346 E347K339-Q343 WeakPolarHBondContact O-CB 3.32Å; K339-Q343 PolarHBondContact O-N 3.13Å; Q343-K345 PolarHBondContact O-N 3.07Å; Q343-K345 VanDerWaalsContact O-N 3.16Å; Q343-K346 WeakPolarHBondContact O-CB 3.24Å; Q343-K346 PolarHBondContact O-N 3.02Å; Q343-E347 VanDerWaalsContact CG-OE1 3.29Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.5Å; Q343-E347 PolarHBondContact NE2-OE1 3.24Å; Q343-E347 WeakPolarHBondContact O-CG 3.49Å; Q343-E347 PolarHBondContact O-N 3.48Å
344R90.4Very high90.8Very high85 Ų8580.3 Ų80.332%0.32137%0.368SS..Hα-helixtrans-59-25.8174.9-100.6-95.2-82.6147.7-8.2114.2P294 M301 R340 C341 E347 Y348P294-R344 HydrophobicContact CB-CB 4.14Å; M301-R344 HydrophobicContact CE-CG 4.3Å; R340-R344 WeakPolarHBondContact O-CB 3.47Å; R340-R344 PolarHBondContact O-N 3.01Å; C341-R344 PolarHBondContact O-N 3.32Å; R344-E347 WeakPolarHBondContact CA-OE2 3.45Å; R344-Y348 VanDerWaalsContact O-CB 3.25Å; R344-Y348 WeakPolarHBondContact O-CB 3.42Å; R344-Y348 PolarHBondContact O-N 2.73Å
345K90Very high90.5Very high73 Ų7379.2 Ų79.232%0.31736%0.363SS..Hα-helixtrans-72.1-41.7172-75.6165.7179.8166.20112.8P294 P296 C341 E342 Q343 Y348 E349P294-K345 HydrophobicContact CB-CG 4.43Å; P294-K345 HydrophobicContact CG-CB 4.46Å; P294-K345 HydrophobicContact CG-CG 3.77Å; P296-K345 WeakPolarHBondContact O-CE 3.46Å; P296-K345 PolarHBondContact O-NZ 2.88Å; C341-K345 WeakPolarHBondContact O-CG 3.44Å; C341-K345 PolarHBondContact O-N 3.22Å; C341-K345 WeakPolarHBondContact SG-CE 3.42Å; C341-K345 PolarHBondContact SG-NZ 3.23Å; C341-K345 VanDerWaalsContact SG-NZ 3.37Å; E342-K345 PolarHBondContact O-N 2.98Å; Q343-K345 PolarHBondContact O-N 3.07Å; Q343-K345 VanDerWaalsContact O-N 3.16Å; K345-Y348 PolarHBondContact O-N 3.39Å; K345-E349 WeakPolarHBondContact O-CB 3.32Å; K345-E349 PolarHBondContact O-N 3.32Å
346K90.9Very high90.1Very high118 Ų11877.1 Ų77.151%0.51335%0.352SS..Hα-helixtrans-66.4-42.6175.4-64.1168.4-172.71720111.3E342 Q343 E349 I350E342-K346 WeakPolarHBondContact O-CG 3.37Å; E342-K346 PolarHBondContact O-N 3.43Å; Q343-K346 WeakPolarHBondContact O-CB 3.24Å; Q343-K346 PolarHBondContact O-N 3.02Å; K346-E349 PolarHBondContact O-N 3.2Å; K346-I350 VanDerWaalsContact O-CG1 3.3Å; K346-I350 WeakPolarHBondContact O-CG1 3.23Å; K346-I350 PolarHBondContact O-N 3.35Å
347E90.3Very high89.3Confident87 Ų8779 Ų7941%0.40736%0.362SS..Hα-helixtrans-60.5-47.2175.2-70.4160.8-179.900111.2Q343 R344 E349 I350 E351Q343-E347 VanDerWaalsContact CG-OE1 3.29Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.5Å; Q343-E347 PolarHBondContact NE2-OE1 3.24Å; Q343-E347 WeakPolarHBondContact O-CG 3.49Å; Q343-E347 PolarHBondContact O-N 3.48Å; R344-E347 WeakPolarHBondContact CA-OE2 3.45Å; E347-E349 VanDerWaalsContact C-N 3.34Å; E347-E349 PolarHBondContact O-N 2.83Å; E347-I350 PolarHBondContact O-N 3.3Å; E347-E351 WeakPolarHBondContact O-CB 3.48Å; E347-E351 PolarHBondContact O-N 3.48Å
348Y90.4Very high88.7Confident45 Ų4581.4 Ų81.418%0.17638%0.382CS..Hα-helixtrans-59.9-40.5173168.8-92.1000112.9P291 D292 K293 P294 R344 K345 E351 M352P291-Y348 HydrophobicContact CB-CD2 3.9Å; P291-Y348 HydrophobicContact CB-CE2 4.09Å; P291-Y348 WeakPolarHBondContact O-CE2 3.24Å; D292-Y348 WeakPolarHBondContact O-CD2 3.33Å; K293-Y348 HydrophobicContact CB-CE2 4.34Å; K293-Y348 VanDerWaalsContact CE-OH 3.28Å; K293-Y348 WeakPolarHBondContact CE-OH 3.4Å; K293-Y348 HydrophobicContact CG-CE1 4.46Å; K293-Y348 HydrophobicContact CG-CE2 3.71Å; K293-Y348 VanDerWaalsContact CG-OH 3.27Å; K293-Y348 WeakPolarHBondContact CG-OH 3.09Å; P294-Y348 HydrophobicContact CG-CD1 4.41Å; P294-Y348 HydrophobicContact CG-CG 4.07Å; R344-Y348 VanDerWaalsContact O-CB 3.25Å; R344-Y348 WeakPolarHBondContact O-CB 3.42Å; R344-Y348 PolarHBondContact O-N 2.73Å; K345-Y348 PolarHBondContact O-N 3.39Å; Y348-E351 PolarHBondContact O-N 3.11Å; Y348-M352 HydrophobicContact CE2-CE 3.82Å; Y348-M352 WeakPolarHBondContact O-CB 3.33Å; Y348-M352 PolarHBondContact O-N 3.44Å; Y348-M352 WeakPolarHBondContact OH-CE 3.15Å
349E87.5Confident88.1Confident124 Ų12480.1 Ų80.158%0.57938%0.377SS*.Hα-helixtrans-66-41177.7-175.2169.7-157.900111.6K345 K346 E347 N353K345-E349 WeakPolarHBondContact O-CB 3.32Å; K345-E349 PolarHBondContact O-N 3.32Å; K346-E349 PolarHBondContact O-N 3.2Å; E347-E349 VanDerWaalsContact C-N 3.34Å; E347-E349 PolarHBondContact O-N 2.83Å; E349-N353 WeakPolarHBondContact O-CB 3.44Å; E349-N353 PolarHBondContact O-N 3.44Å; E349-N353 PolarHBondContact O-ND2 2.69Å
350I89.9Confident87.3Confident108 Ų10876.6 Ų76.655%0.55437%0.371SS*.Hα-helixtrans-64-48.8174.7-68.2162.6000110.7K346 E347 N353 R354K346-I350 VanDerWaalsContact O-CG1 3.3Å; K346-I350 WeakPolarHBondContact O-CG1 3.23Å; K346-I350 PolarHBondContact O-N 3.35Å; E347-I350 PolarHBondContact O-N 3.3Å; I350-N353 PolarHBondContact O-N 2.86Å; I350-R354 PolarHBondContact O-N 2.76Å
351E88.7Confident86.2Confident75 Ų7578.6 Ų78.635%0.3539%0.386SS..Hα-helixtrans-69-36.6-177.8-159.163.2-124.500111.9P291 E347 Y348 R354 F355P291-E351 HydrophobicContact CB-CB 4.33Å; P291-E351 HydrophobicContact CB-CG 4.3Å; P291-E351 HydrophobicContact CG-CB 3.78Å; P291-E351 HydrophobicContact CG-CG 3.53Å; E347-E351 WeakPolarHBondContact O-CB 3.48Å; E347-E351 PolarHBondContact O-N 3.48Å; Y348-E351 PolarHBondContact O-N 3.11Å; E351-R354 WeakPolarHBondContact O-CB 3.37Å; E351-R354 PolarHBondContact O-N 3.35Å; E351-R354 WeakPolarHBondContact OE1-CD 3.48Å; E351-R354 IonicContact OE1-CZ 2.66Å; E351-R354 IonicContact OE1-NE 3.23Å; E351-R354 IonicContact OE1-NH1 2.85Å; E351-R354 PolarHBondContact OE1-NH1 3.23Å; E351-R354 IonicContact OE2-CZ 2.6Å; E351-R354 IonicContact OE2-NH1 3.21Å; E351-R354 PolarHBondContact OE2-NH1 2.82Å; E351-R354 IonicContact OE2-NH2 3.07Å; E351-F355 WeakPolarHBondContact O-CB 3.35Å; E351-F355 PolarHBondContact O-N 3.37Å
352M86.3Confident84.7Confident18 Ų1886.4 Ų86.49%0.08942%0.422CS..Hα-helixtrans-66.6-38.3175.2-177.257.568.400111.4R290 P291 Y348 F355 L356R290-M352 HydrophobicContact CG-CE 3.83Å; P291-M352 HydrophobicContact CB-CE 4.37Å; P291-M352 HydrophobicContact CG-CE 4.44Å; Y348-M352 HydrophobicContact CE2-CE 3.82Å; Y348-M352 WeakPolarHBondContact O-CB 3.33Å; Y348-M352 PolarHBondContact O-N 3.44Å; Y348-M352 WeakPolarHBondContact OH-CE 3.15Å; M352-F355 PolarHBondContact O-N 2.95Å; M352-F355 HydrophobicContact SD-CD1 3.79Å; M352-F355 HydrophobicContact SD-CE1 4.5Å; M352-L356 HydrophobicContact CG-CD1 4.35Å; M352-L356 WeakPolarHBondContact O-CB 3.45Å; M352-L356 VanDerWaalsContact O-CG 3.3Å; M352-L356 WeakPolarHBondContact O-CG 3.28Å; M352-L356 PolarHBondContact O-N 3.3Å; M352-L356 HydrophobicContact SD-CG 4.48Å
353N85.2Confident83.5Confident88 Ų8884.8 Ų84.847%0.47142%0.415SS..Hα-helixtrans-67.2-35.2172.4-76.8-56.8000112E349 I350 S357E349-N353 WeakPolarHBondContact O-CB 3.44Å; E349-N353 PolarHBondContact O-N 3.44Å; E349-N353 PolarHBondContact O-ND2 2.69Å; I350-N353 PolarHBondContact O-N 2.86Å; N353-S357 WeakPolarHBondContact O-CB 3.49Å; N353-S357 PolarHBondContact O-N 2.86Å; N353-S357 PolarHBondContact O-OG 3.3Å
354R87.8Confident82.4Confident142 Ų14283.3 Ų83.354%0.53641%0.408SS..Hα-helixtrans-63-49.3171-172.1-171-65.91450.9110.9I350 E351 S357 T358I350-R354 PolarHBondContact O-N 2.76Å; E351-R354 WeakPolarHBondContact O-CB 3.37Å; E351-R354 PolarHBondContact O-N 3.35Å; E351-R354 WeakPolarHBondContact OE1-CD 3.48Å; E351-R354 IonicContact OE1-CZ 2.66Å; E351-R354 IonicContact OE1-NE 3.23Å; E351-R354 IonicContact OE1-NH1 2.85Å; E351-R354 PolarHBondContact OE1-NH1 3.23Å; E351-R354 IonicContact OE2-CZ 2.6Å; E351-R354 IonicContact OE2-NH1 3.21Å; E351-R354 PolarHBondContact OE2-NH1 2.82Å; E351-R354 IonicContact OE2-NH2 3.07Å; R354-S357 WeakPolarHBondContact O-CA 3.35Å; R354-S357 WeakPolarHBondContact O-CB 3.31Å; R354-S357 PolarHBondContact O-N 3.21Å; R354-S357 VanDerWaalsContact O-N 3.08Å; R354-T358 PolarHBondContact O-N 3.38Å
355F86.4Confident81.3Confident14 Ų1485.6 Ų85.66%0.06142%0.422CS..Hα-helixtrans-57.1-51.4177.3171.3-109.8000111.4D288 R290 P291 E351 M352 S357 T358 L359 V367D288-F355 HydrophobicContact CB-CE2 4.26Å; D288-F355 VanDerWaalsContact O-CE2 3.31Å; D288-F355 WeakPolarHBondContact O-CE2 3.46Å; R290-F355 HydrophobicContact CB-CD1 4.19Å; R290-F355 HydrophobicContact CB-CD2 4.49Å; R290-F355 HydrophobicContact CB-CE1 3.66Å; R290-F355 HydrophobicContact CB-CE2 4.01Å; R290-F355 HydrophobicContact CB-CZ 3.55Å; R290-F355 HydrophobicContact CG-CD1 3.96Å; R290-F355 HydrophobicContact CG-CE1 3.5Å; R290-F355 VanDerWaalsContact CG-CE1 3.5Å; R290-F355 HydrophobicContact CG-CZ 3.94Å; P291-F355 HydrophobicContact CG-CB 4.49Å; E351-F355 WeakPolarHBondContact O-CB 3.35Å; E351-F355 PolarHBondContact O-N 3.37Å; M352-F355 PolarHBondContact O-N 2.95Å; M352-F355 HydrophobicContact SD-CD1 3.79Å; M352-F355 HydrophobicContact SD-CE1 4.5Å; F355-S357 PolarHBondContact O-N 3.37Å; F355-T358 PolarHBondContact O-N 2.89Å; F355-T358 PolarHBondContact O-OG1 3Å; F355-L359 HydrophobicContact CD1-CD1 4.1Å; F355-L359 HydrophobicContact CE1-CD1 3.61Å; F355-L359 HydrophobicContact CE2-CD1 4.21Å; F355-L359 HydrophobicContact CE2-CD2 4.09Å; F355-L359 HydrophobicContact CE2-CG 4.38Å; F355-L359 HydrophobicContact CZ-CD1 3.68Å; F355-L359 HydrophobicContact CZ-CD2 4.17Å; F355-L359 HydrophobicContact CZ-CG 4.32Å; F355-L359 WeakPolarHBondContact O-CG 3.38Å; F355-L359 PolarHBondContact O-N 2.85Å; F355-V367 HydrophobicContact CE1-CG1 4.5Å
356L83.3Confident80.3Confident19 Ų1987.4 Ų87.410%0.09943%0.427CS..Hα-helixtrans-54.3-39.7173.8-71.9169.5000112.4M352 T358 L359 Q364 V367 L368M352-L356 HydrophobicContact CG-CD1 4.35Å; M352-L356 WeakPolarHBondContact O-CB 3.45Å; M352-L356 VanDerWaalsContact O-CG 3.3Å; M352-L356 WeakPolarHBondContact O-CG 3.28Å; M352-L356 PolarHBondContact O-N 3.3Å; M352-L356 HydrophobicContact SD-CG 4.48Å; L356-T358 PolarHBondContact O-N 2.87Å; L356-L359 HydrophobicContact CD2-CD1 4.47Å; L356-L359 PolarHBondContact O-N 3Å; L356-L359 VanDerWaalsContact O-N 3.15Å; L356-Q364 HydrophobicContact CB-CG 4.49Å; L356-Q364 HydrophobicContact CD2-CB 4.37Å; L356-Q364 HydrophobicContact CD2-CG 4.36Å; L356-Q364 VanDerWaalsContact O-CD 3.25Å; L356-Q364 WeakPolarHBondContact O-CG 3.47Å; L356-Q364 PolarHBondContact O-NE2 2.97Å; L356-Q364 VanDerWaalsContact O-NE2 3.14Å; L356-V367 HydrophobicContact CD2-CB 4.27Å; L356-V367 HydrophobicContact CD2-CG1 3.84Å; L356-L368 HydrophobicContact CD1-CD2 4.2Å; L356-L368 HydrophobicContact CD2-CG 4.39Å
357S80.3Confident79.3Confident96 Ų9682 Ų8267%0.67140%0.404SS*.Hα-helixtrans-68-14.4176.7-54.20000114.4N353 R354 F355N353-S357 WeakPolarHBondContact O-CB 3.49Å; N353-S357 PolarHBondContact O-N 2.86Å; N353-S357 PolarHBondContact O-OG 3.3Å; R354-S357 WeakPolarHBondContact O-CA 3.35Å; R354-S357 WeakPolarHBondContact O-CB 3.31Å; R354-S357 PolarHBondContact O-N 3.21Å; R354-S357 VanDerWaalsContact O-N 3.08Å; F355-S357 PolarHBondContact O-N 3.37Å
358T79.9Confident78.3Confident105 Ų10581.2 Ų81.264%0.64440%0.402SS*.Hα-helixtrans-92.6-7.7173.557.60000113.9R354 F355 L356R354-T358 PolarHBondContact O-N 3.38Å; F355-T358 PolarHBondContact O-N 2.89Å; F355-T358 PolarHBondContact O-OG1 3Å; L356-T358 PolarHBondContact O-N 2.87Å
359L80.1Confident76.9Confident35 Ų3580.1 Ų80.118%0.18341%0.405CS..SBendtrans-98.5154.9179.4-57.7172.6000111.1F355 L356 E363 Q364 V367F355-L359 HydrophobicContact CD1-CD1 4.1Å; F355-L359 HydrophobicContact CE1-CD1 3.61Å; F355-L359 HydrophobicContact CE2-CD1 4.21Å; F355-L359 HydrophobicContact CE2-CD2 4.09Å; F355-L359 HydrophobicContact CE2-CG 4.38Å; F355-L359 HydrophobicContact CZ-CD1 3.68Å; F355-L359 HydrophobicContact CZ-CD2 4.17Å; F355-L359 HydrophobicContact CZ-CG 4.32Å; F355-L359 WeakPolarHBondContact O-CG 3.38Å; F355-L359 PolarHBondContact O-N 2.85Å; L356-L359 HydrophobicContact CD2-CD1 4.47Å; L356-L359 PolarHBondContact O-N 3Å; L356-L359 VanDerWaalsContact O-N 3.15Å; L359-E363 HydrophobicContact CB-CB 4.12Å; L359-E363 HydrophobicContact CB-CG 3.81Å; L359-E363 HydrophobicContact CD1-CG 4.05Å; L359-E363 HydrophobicContact CD2-CG 3.84Å; L359-E363 HydrophobicContact CG-CG 4.09Å; L359-Q364 HydrophobicContact CB-CG 3.93Å; L359-Q364 PolarHBondContact O-NE2 2.73Å; L359-V367 HydrophobicContact CD1-CG2 4.04Å
360S76.5Confident75.8Confident75 Ų7576.2 Ų76.252%0.52439%0.386SS..  trans-68.7157171.668.60000111.6Q362 E363 Q364S360-Q362 VanDerWaalsContact C-N 3.25Å; S360-Q362 PolarHBondContact O-N 3.45Å; S360-E363 CarbonylContact O-C 3.16Å; S360-E363 WeakPolarHBondContact O-CA 3.3Å; S360-E363 WeakPolarHBondContact O-CB 3.21Å; S360-E363 PolarHBondContact O-N 2.86Å; S360-E363 WeakPolarHBondContact OG-CB 3.42Å; S360-Q364 WeakPolarHBondContact O-CG 3.5Å; S360-Q364 PolarHBondContact O-N 3.08Å
361E68.8Low74.3Confident165 Ų16573.7 Ų73.777%0.77137%0.374SS*.Hα-helixtrans-57.9-36.4-177-61.4-173.2143.900113.3E363 Q365E361-E363 VanDerWaalsContact C-N 3.34Å; E361-Q365 VanDerWaalsContact O-CB 3.3Å; E361-Q365 WeakPolarHBondContact O-CB 3.42Å; E361-Q365 PolarHBondContact O-N 3.24Å
362Q61.5Low72.6Confident164 Ų16476.7 Ų76.777%0.76639%0.386SS*.Hα-helixtrans-65.8-37.4175.9-168.5179.125.300112.1S360 R366S360-Q362 VanDerWaalsContact C-N 3.25Å; S360-Q362 PolarHBondContact O-N 3.45Å; Q362-R366 PolarHBondContact O-N 2.78Å
363E66Low70.7Confident55 Ų5581.1 Ų81.126%0.25741%0.409SS..Hα-helixtrans-72.9-46.4177-178.462.5-136.800110.8L359 S360 E361 Q365 R366 V367L359-E363 HydrophobicContact CB-CB 4.12Å; L359-E363 HydrophobicContact CB-CG 3.81Å; L359-E363 HydrophobicContact CD1-CG 4.05Å; L359-E363 HydrophobicContact CD2-CG 3.84Å; L359-E363 HydrophobicContact CG-CG 4.09Å; S360-E363 CarbonylContact O-C 3.16Å; S360-E363 WeakPolarHBondContact O-CA 3.3Å; S360-E363 WeakPolarHBondContact O-CB 3.21Å; S360-E363 PolarHBondContact O-N 2.86Å; S360-E363 WeakPolarHBondContact OG-CB 3.42Å; E361-E363 VanDerWaalsContact C-N 3.34Å; E363-Q365 VanDerWaalsContact C-N 3.32Å; E363-Q365 PolarHBondContact O-N 3.39Å; E363-R366 VanDerWaalsContact CD-NH1 3.34Å; E363-R366 PolarHBondContact O-N 3.22Å; E363-R366 VanDerWaalsContact O-N 3.11Å; E363-R366 IonicContact OE1-CZ 2.73Å; E363-R366 IonicContact OE1-NH1 2.81Å; E363-R366 PolarHBondContact OE1-NH1 3.17Å; E363-R366 IonicContact OE1-NH2 2.57Å; E363-R366 PolarHBondContact OE1-NH2 2.86Å; E363-R366 IonicContact OE2-CZ 2.69Å; E363-R366 IonicContact OE2-NH1 3.84Å; E363-R366 PolarHBondContact OE2-NH1 3.3Å; E363-R366 IonicContact OE2-NH2 3.17Å; E363-R366 PolarHBondContact OE2-NH2 3Å; E363-V367 WeakPolarHBondContact O-CG2 3.02Å; E363-V367 PolarHBondContact O-N 3.32Å
364Q70.8Confident68.7Low58 Ų5878.5 Ų78.527%0.27140%0.403SS..Hα-helixtrans-53.4-48171.9-68.3174.835.500111.6L356 L359 S360 R366 V367 L368L356-Q364 HydrophobicContact CB-CG 4.49Å; L356-Q364 HydrophobicContact CD2-CB 4.37Å; L356-Q364 HydrophobicContact CD2-CG 4.36Å; L356-Q364 VanDerWaalsContact O-CD 3.25Å; L356-Q364 WeakPolarHBondContact O-CG 3.47Å; L356-Q364 PolarHBondContact O-NE2 2.97Å; L356-Q364 VanDerWaalsContact O-NE2 3.14Å; L359-Q364 HydrophobicContact CB-CG 3.93Å; L359-Q364 PolarHBondContact O-NE2 2.73Å; S360-Q364 WeakPolarHBondContact O-CG 3.5Å; S360-Q364 PolarHBondContact O-N 3.08Å; Q364-R366 VanDerWaalsContact C-N 3.29Å; Q364-R366 PolarHBondContact O-N 3.16Å; Q364-V367 PolarHBondContact O-N 2.99Å; Q364-L368 WeakPolarHBondContact O-CB 3.48Å; Q364-L368 VanDerWaalsContact O-CG 3.28Å; Q364-L368 WeakPolarHBondContact O-CG 3.48Å; Q364-L368 PolarHBondContact O-N 3.27Å
365Q66.4Low66.4Low133 Ų13378.7 Ų78.762%0.62141%0.414SS*.Hα-helixtrans-65.4-32.9-179.5-168.973.9-39.900111.9E361 E363 G369E361-Q365 VanDerWaalsContact O-CB 3.3Å; E361-Q365 WeakPolarHBondContact O-CB 3.42Å; E361-Q365 PolarHBondContact O-N 3.24Å; E363-Q365 VanDerWaalsContact C-N 3.32Å; E363-Q365 PolarHBondContact O-N 3.39Å; Q365-G369 PolarHBondContact O-N 3.36Å
366R70Confident64Low112 Ų11286 Ų8642%0.42345%0.445SS..Hα-helixtrans-69.4-49.2171.9-161-175.573.8-104.7-6.4111.4Q362 E363 Q364 L368 G369 E370Q362-R366 PolarHBondContact O-N 2.78Å; E363-R366 VanDerWaalsContact CD-NH1 3.34Å; E363-R366 PolarHBondContact O-N 3.22Å; E363-R366 VanDerWaalsContact O-N 3.11Å; E363-R366 IonicContact OE1-CZ 2.73Å; E363-R366 IonicContact OE1-NH1 2.81Å; E363-R366 PolarHBondContact OE1-NH1 3.17Å; E363-R366 IonicContact OE1-NH2 2.57Å; E363-R366 PolarHBondContact OE1-NH2 2.86Å; E363-R366 IonicContact OE2-CZ 2.69Å; E363-R366 IonicContact OE2-NH1 3.84Å; E363-R366 PolarHBondContact OE2-NH1 3.3Å; E363-R366 IonicContact OE2-NH2 3.17Å; E363-R366 PolarHBondContact OE2-NH2 3Å; Q364-R366 VanDerWaalsContact C-N 3.29Å; Q364-R366 PolarHBondContact O-N 3.16Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 3.2Å; R366-G369 CarbonylContact O-C 3.37Å; R366-G369 WeakPolarHBondContact O-CA 3.42Å; R366-G369 PolarHBondContact O-N 3.09Å; R366-E370 HydrophobicContact CG-CG 4.45Å; R366-E370 IonicContact NE-OE1 2.59Å; R366-E370 PolarHBondContact NE-OE1 2.94Å; R366-E370 WeakPolarHBondContact O-CG 3.32Å; R366-E370 PolarHBondContact O-N 3.26Å
367V69.7Low61.7Low4 Ų492.9 Ų92.92%0.02447%0.474CS..Hα-helixtrans-55.8-44.8177.5169.20000111.5F355 L356 L359 E363 Q364 G369 E370 D371F355-V367 HydrophobicContact CE1-CG1 4.5Å; L356-V367 HydrophobicContact CD2-CB 4.27Å; L356-V367 HydrophobicContact CD2-CG1 3.84Å; L359-V367 HydrophobicContact CD1-CG2 4.04Å; E363-V367 WeakPolarHBondContact O-CG2 3.02Å; E363-V367 PolarHBondContact O-N 3.32Å; Q364-V367 PolarHBondContact O-N 2.99Å; V367-G369 VanDerWaalsContact C-N 3.28Å; V367-G369 PolarHBondContact O-N 3.33Å; V367-E370 PolarHBondContact O-N 2.75Å; V367-D371 PolarHBondContact O-N 3.24Å
368L69.1Low59.3Low70 Ų7095 Ų9537%0.36648%0.478SS..Hα-helixtrans-69.2-22174.7-68.8171.2000113.6L356 Q364 R366 K372L356-L368 HydrophobicContact CD1-CD2 4.2Å; L356-L368 HydrophobicContact CD2-CG 4.39Å; Q364-L368 WeakPolarHBondContact O-CB 3.48Å; Q364-L368 VanDerWaalsContact O-CG 3.28Å; Q364-L368 WeakPolarHBondContact O-CG 3.48Å; Q364-L368 PolarHBondContact O-N 3.27Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 3.2Å; L368-K372 WeakPolarHBondContact O-CD 3.44Å; L368-K372 VanDerWaalsContact O-CE 3.23Å; L368-K372 WeakPolarHBondContact O-CE 3.27Å; L368-K372 VanDerWaalsContact O-CG 3.27Å; L368-K372 WeakPolarHBondContact O-CG 3.28Å
369G60.5Low56.9Low23 Ų2395.3 Ų95.324%0.23748%0.484CS..Hα-helixtrans-78.2-47.2171.700000112.4Q365 R366 V367 D371 K372 I373Q365-G369 PolarHBondContact O-N 3.36Å; R366-G369 CarbonylContact O-C 3.37Å; R366-G369 WeakPolarHBondContact O-CA 3.42Å; R366-G369 PolarHBondContact O-N 3.09Å; V367-G369 VanDerWaalsContact C-N 3.28Å; V367-G369 PolarHBondContact O-N 3.33Å; G369-D371 VanDerWaalsContact C-N 3.32Å; G369-D371 PolarHBondContact O-N 2.72Å; G369-K372 WeakPolarHBondContact O-CB 3.33Å; G369-K372 PolarHBondContact O-N 3.5Å; G369-K372 VanDerWaalsContact O-N 3.09Å; G369-I373 WeakPolarHBondContact O-CG1 3.45Å; G369-I373 PolarHBondContact O-N 3.15Å
370E64.6Low54.6Low41 Ų4197.8 Ų97.819%0.19251%0.51CS..Hα-helixtrans-54.6-45.8176.8-70.2173.8172.400111.6R281 R290 R366 V367 K372 I373 G374R281-E370 IonicContact CZ-OE1 3.75Å; R281-E370 IonicContact CZ-OE2 2.64Å; R281-E370 IonicContact NH1-OE1 3.31Å; R281-E370 IonicContact NH1-OE2 2.69Å; R281-E370 PolarHBondContact NH1-OE2 3.5Å; R281-E370 IonicContact NH2-OE1 3.86Å; R281-E370 PolarHBondContact NH2-OE1 3.37Å; R281-E370 IonicContact NH2-OE2 2.71Å; R281-E370 PolarHBondContact NH2-OE2 3.11Å; R290-E370 IonicContact NH1-OE2 2.73Å; R290-E370 PolarHBondContact NH1-OE2 3.37Å; R366-E370 HydrophobicContact CG-CG 4.45Å; R366-E370 IonicContact NE-OE1 2.59Å; R366-E370 PolarHBondContact NE-OE1 2.94Å; R366-E370 WeakPolarHBondContact O-CG 3.32Å; R366-E370 PolarHBondContact O-N 3.26Å; V367-E370 PolarHBondContact O-N 2.75Å; E370-K372 VanDerWaalsContact C-N 3.3Å; E370-K372 PolarHBondContact O-N 2.75Å; E370-I373 PolarHBondContact O-N 2.97Å; E370-I373 VanDerWaalsContact O-N 3.09Å; E370-G374 PolarHBondContact O-N 2.76Å
371D58.2Low52.5Low55 Ų5598.8 Ų98.829%0.29452%0.523SS..Hα-helixtrans-66.8-28.5179.3-92-44.4000113.4R290 K293 V367 G369R290-D371 IonicContact CZ-OD2 3.23Å; R290-D371 IonicContact NH2-OD1 2.81Å; R290-D371 IonicContact NH2-OD2 3.65Å; R290-D371 PolarHBondContact NH2-OD2 3.37Å; K293-D371 IonicContact NZ-OD1 2.75Å; K293-D371 PolarHBondContact NZ-OD1 3.34Å; V367-D371 PolarHBondContact O-N 3.24Å; G369-D371 VanDerWaalsContact C-N 3.32Å; G369-D371 PolarHBondContact O-N 2.72Å
372K52.4Low50.5Low138 Ų13896.5 Ų96.560%0.653%0.525SS*.Hα-helixtrans-74.5-31.5171.2-66.9164.7-168.9161.10112.1L368 G369 E370L368-K372 WeakPolarHBondContact O-CD 3.44Å; L368-K372 VanDerWaalsContact O-CE 3.23Å; L368-K372 WeakPolarHBondContact O-CE 3.27Å; L368-K372 VanDerWaalsContact O-CG 3.27Å; L368-K372 WeakPolarHBondContact O-CG 3.28Å; G369-K372 WeakPolarHBondContact O-CB 3.33Å; G369-K372 PolarHBondContact O-N 3.5Å; G369-K372 VanDerWaalsContact O-N 3.09Å; E370-K372 VanDerWaalsContact C-N 3.3Å; E370-K372 PolarHBondContact O-N 2.75Å
373I47.7Very low48.9Very low111 Ų11193.8 Ų93.857%0.56952%0.524SS*.Hα-helixtrans-77.1-43.1179.5-67.6163.9000111.1G369 E370 L375 K376 K377G369-I373 WeakPolarHBondContact O-CG1 3.45Å; G369-I373 PolarHBondContact O-N 3.15Å; E370-I373 PolarHBondContact O-N 2.97Å; E370-I373 VanDerWaalsContact O-N 3.09Å; I373-L375 PolarHBondContact O-N 3.26Å; I373-K376 PolarHBondContact O-N 3.33Å; I373-K377 PolarHBondContact O-N 3.45Å
374G43Very low47.2Very low33 Ų3398 Ų9834%0.3456%0.556SS.*Hα-helixtrans-57.6-36.3176.200000112.8E370 K376 K377 N378E370-G374 PolarHBondContact O-N 2.76Å; G374-K376 VanDerWaalsContact C-N 3.27Å; G374-K376 PolarHBondContact O-N 2.91Å; G374-K377 PolarHBondContact O-N 2.97Å; G374-N378 PolarHBondContact O-N 3.44Å
375L38.5Very low45.4Very low147 Ų14799.3 Ų99.377%0.7758%0.577SS**Hα-helixtrans-66.9-24.9176.5-157.870.2000113.5I373I373-L375 PolarHBondContact O-N 3.26Å
376K35.9Very low43.9Very low167 Ų16798 Ų9873%0.72658%0.583SS**Hα-helixtrans-82.9-42.4170.3-75.5-174.9174-177.80112.4I373 G374 N378 S379I373-K376 PolarHBondContact O-N 3.33Å; G374-K376 VanDerWaalsContact C-N 3.27Å; G374-K376 PolarHBondContact O-N 2.91Å; K376-N378 VanDerWaalsContact C-N 3.25Å; K376-N378 PolarHBondContact O-N 3.22Å; K376-S379 PolarHBondContact O-N 3.39Å; K376-S379 VanDerWaalsContact O-N 3.16Å; K376-S379 PolarHBondContact O-OG 3.1Å
377K35Very low42Very low163 Ų163104.3 Ų104.371%0.70961%0.607SS**Hα-helixtrans-66.3-28.8-174.6-153172.4-174.8-1790112.5I373 G374 S379 A380I373-K377 PolarHBondContact O-N 3.45Å; G374-K377 PolarHBondContact O-N 2.97Å; K377-S379 PolarHBondContact O-N 3.1Å; K377-S379 VanDerWaalsContact O-N 3.17Å; K377-A380 PolarHBondContact O-N 3.3Å
378N30.6Very low40.4Very low142 Ų142113.8 Ų113.876%0.75965%0.648SS**THydrogen-bonded Turntrans-67.5-5.5175-74.70.1000115.3G374 K376G374-N378 PolarHBondContact O-N 3.44Å; K376-N378 VanDerWaalsContact C-N 3.25Å; K376-N378 PolarHBondContact O-N 3.22Å
379S30.6Very low38.5Very low110 Ų110119.8 Ų119.877%0.76967%0.67SS**THydrogen-bonded Turntrans-101.78.5173.480.70000114.3K376 K377K376-S379 PolarHBondContact O-N 3.39Å; K376-S379 VanDerWaalsContact O-N 3.16Å; K376-S379 PolarHBondContact O-OG 3.1Å; K377-S379 PolarHBondContact O-N 3.1Å; K377-S379 VanDerWaalsContact O-N 3.17Å
380A31.8Very low36.9Very low88 Ų88126.4 Ų126.473%0.72770%0.7SS**SBendtrans-120.52.3-17400000114.3K377K377-A380 PolarHBondContact O-N 3.3Å
381A32.2Very low35.1Very low95 Ų95129.4 Ų129.479%0.78573%0.733SS**SBendtrans-122.765.8-177.800000111.2
382S26.9Very low33.8Very low118 Ų118136.2 Ų136.283%0.82576%0.759SS**SBendtrans-159.7115.2170.1-177.90000109.6
383S27Very low32.9Very low107 Ų107136.2 Ų136.275%0.74877%0.771SS**  trans-67.3155.7179.8-550000112.1A385S383-A385 PolarHBondContact O-N 2.93Å
384P31.1Very low32.1Very low143 Ų143140.9 Ų140.993%0.92979%0.788SS**SBendtrans-88.267.5-150.434.8-38000115.2
385A32Very low31.5Very low86 Ų86143.5 Ų143.571%0.71181%0.806SS**  trans-114.2109174.500000113.5S383S383-A385 PolarHBondContact O-N 2.93Å
386S35.2Very low31.4Very low105 Ų105142.2 Ų142.273%0.73481%0.809SS**SBendtrans64.294.7166.3780000119
387R29.6Very low31.4Very low245 Ų245140.3 Ų140.393%0.92581%0.812SS**  167118.1108.8-88.6167.3-176.6-159.9-0.1112.7
388K36.8Very low32Very low203 Ų203141.6 Ų141.688%0.88382%0.82SS**  trans-71.8128.7163.9-71.2173.9176.4170.60110.3
389K29.6Very low32.2Very low195 Ų195143.7 Ų143.785%0.84882%0.823SS**  trans-176.7108.2131-101.1162.2-173.6179.40113.5
390N25.5Very low32.8Very low162 Ų162143.2 Ų143.287%0.86682%0.817SS**  trans38.1103147.9-56.610.6000119.6
391A28.4Very low33.6Very low105 Ų105148.7 Ų148.787%0.86882%0.824SS**PPolyproline II helixtrans-90.9127.6152.800000110.3
392K31.1Very low34.3Very low197 Ų197155.1 Ų155.186%0.85783%0.828SS**PPolyproline II helixtrans-83.5135.7164.7-97.2-171.1173.7-175.20109.4
393T33.3Very low35.7Very low139 Ų139152 Ų15285%0.85381%0.805SS**PPolyproline II helixtrans-61.4130.7175.146.80000111.9
394K30.7Very low37.9Very low209 Ų209150.9 Ų150.991%0.90979%0.79SS**  trans-88.1111162-80.1-173.2173.9-179.70109.6
395A30.8Very low40.3Very low88 Ų88146.5 Ų146.573%0.72776%0.763SS**  trans-75.7165158.500000110
396S35.8Very low42.8Very low119 Ų119142.5 Ų142.583%0.83273%0.73SS**  trans-64.6142.1174.146.30000112
397T35.4Very low45.1Very low127 Ų127139.8 Ų139.878%0.77971%0.706SS**  trans-134.4111.7162.8-45.80000106.7K399T397-K399 PolarHBondContact O-N 3.5Å
398E47.4Very low47.8Very low191 Ų191134.6 Ų134.689%0.89369%0.69SS**PPolyproline II helixtrans-64.1130169.7-62.4-164.6129.500108.5
399K35.9Very low50.2Low186 Ų186126.2 Ų126.281%0.80966%0.655SS**PPolyproline II helixtrans-95.1134.1167.4-70.9-172.4174.4-172.40107.8T397 K401T397-K399 PolarHBondContact O-N 3.5Å; K399-K401 PolarHBondContact O-N 3.29Å
400P43.6Very low53Low100 Ų100117.1 Ų117.165%0.64962%0.615SS**PPolyproline II helixtrans-57.8137.7175.623.9-32.7000110.2
401K46.9Very low55.9Low202 Ų202109.8 Ų109.888%0.87858%0.577SS**PPolyproline II helixtrans-64.9141.3171.7-67.5179-179.41760108.5K399K399-K401 PolarHBondContact O-N 3.29Å
402R47.9Very low58.6Low230 Ų230111.1 Ų111.187%0.86857%0.565SS**PPolyproline II helixtrans-61149.8178-68.6-179.8177.7174.7-1110.5
403P56.2Low61.2Low52 Ų52104.7 Ų104.734%0.33854%0.538SS..PPolyproline II helixtrans-58.1145.9177.324.3-34.7000111.9K457P403-K457 HydrophobicContact CB-CB 4.02Å; P403-K457 HydrophobicContact CG-CB 3.95Å; P403-K457 HydrophobicContact CG-CD 4.5Å; P403-K457 HydrophobicContact CG-CG 4.06Å
404I72.6Confident63.7Low84 Ų84101 Ų10143%0.43151%0.51SS..PPolyproline II helixtrans-73.7128.2-176.8-56.9176.1000109F408 I409I404-F408 HydrophobicContact CG2-CB 3.44Å; I404-F408 VanDerWaalsContact CG2-CB 3.44Å; I404-F408 HydrophobicContact CG2-CG 4.5Å; I404-I409 HydrophobicContact CB-CG1 4.41Å; I404-I409 HydrophobicContact CG2-CG1 3.93Å
405S81.2Confident66.3Low52 Ų5294 Ų9436%0.36448%0.478SS..PPolyproline II helixtrans-76.5153.2-177.1-169.60000112.8M407 F408 I409 E453S405-M407 PolarHBondContact O-N 2.85Å; S405-F408 WeakPolarHBondContact O-CA 3.42Å; S405-F408 WeakPolarHBondContact O-CB 3.36Å; S405-F408 PolarHBondContact O-N 3.36Å; S405-I409 PolarHBondContact O-N 3.11Å; S405-I409 VanDerWaalsContact O-N 3.09Å; S405-E453 VanDerWaalsContact CA-CD 3.49Å; S405-E453 WeakPolarHBondContact CA-OE1 2.99Å; S405-E453 VanDerWaalsContact CB-OE1 3.3Å; S405-E453 WeakPolarHBondContact CB-OE1 3.37Å; S405-E453 PolarHBondContact OG-OE1 3.37Å; S405-E453 PolarHBondContact OG-OE2 2.84Å
406A84.3Confident68.8Low2 Ų293.1 Ų93.12%0.01747%0.471CS..Hα-helixtrans-52.3-33.7-175.800000114.2I409 F410 W438 Y449 K450 E453A406-I409 PolarHBondContact O-N 2.94Å; A406-F410 WeakPolarHBondContact O-CB 3.42Å; A406-F410 PolarHBondContact O-N 2.78Å; A406-W438 HydrophobicContact CB-CH2 3.82Å; A406-W438 HydrophobicContact CB-CZ2 4.25Å; A406-Y449 VanDerWaalsContact CB-C 3.44Å; A406-K450 HydrophobicContact CB-CG 4.19Å; A406-E453 HydrophobicContact CB-CB 4.13Å; A406-E453 WeakPolarHBondContact CB-OE2 3.26Å; A406-E453 VanDerWaalsContact N-CD 3.28Å; A406-E453 PolarHBondContact N-OE2 3.38Å
407M85.2Confident71.1Confident47 Ų4791.8 Ų91.823%0.23245%0.45CS..Hα-helixtrans-61-42.5172.7167.551.1-168.200112.2S405 F410 S411 A435 W438S405-M407 PolarHBondContact O-N 2.85Å; M407-F410 HydrophobicContact SD-CD1 4.39Å; M407-S411 VanDerWaalsContact O-CB 3.3Å; M407-S411 WeakPolarHBondContact O-CB 3.45Å; M407-S411 PolarHBondContact O-N 3.49Å; M407-S411 PolarHBondContact O-OG 2.83Å; M407-A435 HydrophobicContact CE-CB 4.15Å; M407-W438 HydrophobicContact CB-CD2 4.3Å; M407-W438 HydrophobicContact CB-CG 4.47Å; M407-W438 HydrophobicContact CB-CZ2 4.37Å; M407-W438 HydrophobicContact CE-CB 4.28Å; M407-W438 HydrophobicContact CG-CG 4.38Å; M407-W438 HydrophobicContact SD-CB 3.35Å; M407-W438 WeakPolarHBondContact SD-CB 3.47Å; M407-W438 VanDerWaalsContact SD-CD1 3.55Å; M407-W438 HydrophobicContact SD-CD2 3.85Å; M407-W438 HydrophobicContact SD-CG 3.26Å
408F85.3Confident73.2Confident136 Ų13686.9 Ų86.960%0.59642%0.419SS*.Hα-helixtrans-71.9-39176.6-86.6-90.8000112.1I404 S405 F410 S411 E412I404-F408 HydrophobicContact CG2-CB 3.44Å; I404-F408 VanDerWaalsContact CG2-CB 3.44Å; I404-F408 HydrophobicContact CG2-CG 4.5Å; S405-F408 WeakPolarHBondContact O-CA 3.42Å; S405-F408 WeakPolarHBondContact O-CB 3.36Å; S405-F408 PolarHBondContact O-N 3.36Å; F408-F410 VanDerWaalsContact C-N 3.29Å; F408-F410 PolarHBondContact O-N 3.43Å; F408-S411 PolarHBondContact O-N 2.93Å; F408-S411 PolarHBondContact O-OG 3.36Å; F408-E412 WeakPolarHBondContact O-CB 3.44Å; F408-E412 PolarHBondContact O-N 2.94Å
409I87.5Confident74.7Confident27 Ų2781.3 Ų81.314%0.13839%0.393CS..Hα-helixtrans-61.3-40.8175-53.5171.5000110.7I404 S405 A406 E413 Y449 V452 E453 L456I404-I409 HydrophobicContact CB-CG1 4.41Å; I404-I409 HydrophobicContact CG2-CG1 3.93Å; S405-I409 PolarHBondContact O-N 3.11Å; S405-I409 VanDerWaalsContact O-N 3.09Å; A406-I409 PolarHBondContact O-N 2.94Å; I409-E413 PolarHBondContact O-N 2.89Å; I409-Y449 HydrophobicContact CB-CD1 4.46Å; I409-Y449 HydrophobicContact CG2-CD1 4.1Å; I409-V452 HydrophobicContact CD1-CB 4.06Å; I409-V452 HydrophobicContact CD1-CG1 3.96Å; I409-V452 HydrophobicContact CG2-CB 4.41Å; I409-V452 HydrophobicContact CG2-CG1 4.13Å; I409-E453 HydrophobicContact CD1-CB 4Å; I409-L456 HydrophobicContact CD1-CD1 3.84Å; I409-L456 HydrophobicContact CG1-CD1 4.44Å
410F89.1Confident76.9Confident5 Ų580.1 Ų80.12%0.02239%0.39CS..Hα-helixtrans-66.1-46.7172.2164.8-103.3000112.4A406 M407 F408 E412 E413 K414 M437 W438 L441 Y449A406-F410 WeakPolarHBondContact O-CB 3.42Å; A406-F410 PolarHBondContact O-N 2.78Å; M407-F410 HydrophobicContact SD-CD1 4.39Å; F408-F410 VanDerWaalsContact C-N 3.29Å; F408-F410 PolarHBondContact O-N 3.43Å; F410-E412 VanDerWaalsContact C-N 3.27Å; F410-E412 PolarHBondContact O-N 3.02Å; F410-E413 PolarHBondContact O-N 3.31Å; F410-K414 HydrophobicContact CD2-CG 3.95Å; F410-K414 HydrophobicContact CE2-CB 4.29Å; F410-K414 HydrophobicContact CE2-CD 4.38Å; F410-K414 HydrophobicContact CE2-CG 3.32Å; F410-K414 HydrophobicContact CZ-CB 4.26Å; F410-K414 HydrophobicContact CZ-CG 3.68Å; F410-K414 PolarHBondContact O-N 2.92Å; F410-K414 VanDerWaalsContact O-N 3.13Å; F410-M437 HydrophobicContact CE1-CB 4.29Å; F410-M437 HydrophobicContact CZ-CB 4.03Å; F410-W438 HydrophobicContact CB-CE3 3.58Å; F410-W438 HydrophobicContact CB-CZ3 3.64Å; F410-W438 HydrophobicContact CD1-CB 3.8Å; F410-W438 HydrophobicContact CD1-CD2 4.21Å; F410-W438 AromaticContact CD1-CE3 3.56Å; F410-W438 HydrophobicContact CD1-CE3 3.56Å; F410-W438 HydrophobicContact CD1-CG 4.35Å; F410-W438 HydrophobicContact CD1-CZ3 4.47Å; F410-W438 HydrophobicContact CD2-CE3 4.35Å; F410-W438 HydrophobicContact CE1-CB 3.78Å; F410-W438 HydrophobicContact CE1-CE3 4.37Å; F410-W438 AromaticContact CG-CE3 3.54Å; F410-W438 HydrophobicContact CG-CE3 3.54Å; F410-W438 HydrophobicContact CG-CZ3 4.03Å; F410-L441 HydrophobicContact CD1-CD1 4.33Å; F410-L441 HydrophobicContact CD2-CD1 3.56Å; F410-L441 HydrophobicContact CE1-CD1 4.05Å; F410-L441 HydrophobicContact CE2-CD1 3.22Å; F410-L441 HydrophobicContact CE2-CG 4.47Å; F410-L441 HydrophobicContact CG-CD1 4.1Å; F410-L441 HydrophobicContact CZ-CD1 3.5Å; F410-L441 VanDerWaalsContact CZ-CD1 3.5Å; F410-Y449 HydrophobicContact CB-CD1 3.94Å; F410-Y449 HydrophobicContact CB-CD2 4.13Å; F410-Y449 HydrophobicContact CB-CE1 4.1Å; F410-Y449 HydrophobicContact CB-CE2 4.28Å; F410-Y449 HydrophobicContact CB-CG 3.97Å; F410-Y449 HydrophobicContact CD2-CD2 4.47Å; F410-Y449 HydrophobicContact CD2-CE1 4.31Å; F410-Y449 AromaticContact CD2-CE2 3.85Å; F410-Y449 HydrophobicContact CD2-CE2 3.85Å; F410-Y449 AromaticContact CD2-CZ 3.76Å; F410-Y449 HydrophobicContact CG-CE2 4.48Å
411S85.6Confident78.7Confident8 Ų881.9 Ų81.96%0.05639%0.389CS..Hα-helixtrans-66.5-32.6-175.280.50000111.4M407 F408 K414 R415M407-S411 VanDerWaalsContact O-CB 3.3Å; M407-S411 WeakPolarHBondContact O-CB 3.45Å; M407-S411 PolarHBondContact O-N 3.49Å; M407-S411 PolarHBondContact O-OG 2.83Å; F408-S411 PolarHBondContact O-N 2.93Å; F408-S411 PolarHBondContact O-OG 3.36Å; S411-K414 PolarHBondContact O-N 3.44Å; S411-R415 WeakPolarHBondContact O-CA 3.48Å; S411-R415 WeakPolarHBondContact O-CB 3.39Å; S411-R415 PolarHBondContact O-N 2.66Å
412E85Confident80.1Confident132 Ų13280 Ų8062%0.61738%0.377SS*.Hα-helixtrans-65.3-49.5172.2-168167.4-156.700112.2F408 F410 K414 R415F408-E412 WeakPolarHBondContact O-CB 3.44Å; F408-E412 PolarHBondContact O-N 2.94Å; F410-E412 VanDerWaalsContact C-N 3.27Å; F410-E412 PolarHBondContact O-N 3.02Å; E412-K414 PolarHBondContact O-N 3.08Å; E412-K414 VanDerWaalsContact O-N 3.13Å; E412-R415 PolarHBondContact O-N 3.5Å
413E85.8Confident81.5Confident62 Ų6273.4 Ų73.429%0.2936%0.364SS..Hα-helixtrans-61.2-25177.8-155.8-140102.600113.2I409 F410 K417 K448 Y449I409-E413 PolarHBondContact O-N 2.89Å; F410-E413 PolarHBondContact O-N 3.31Å; E413-K417 WeakPolarHBondContact O-CD 3Å; E413-K417 WeakPolarHBondContact O-CE 3.32Å; E413-K417 IonicContact OE1-NZ 2.73Å; E413-K417 PolarHBondContact OE1-NZ 3.49Å; E413-K448 IonicContact OE2-NZ 2.74Å; E413-K448 PolarHBondContact OE2-NZ 3.38Å; E413-Y449 PolarHBondContact OE2-OH 3.35Å
414K85.8Confident82.4Confident62 Ų6278.2 Ų78.227%0.2739%0.387SS..Hα-helixtrans-102.9-26.1-178.7-69.5-51.7-167.2169.70115.1F410 S411 E412 K417 L418 L434F410-K414 HydrophobicContact CD2-CG 3.95Å; F410-K414 HydrophobicContact CE2-CB 4.29Å; F410-K414 HydrophobicContact CE2-CD 4.38Å; F410-K414 HydrophobicContact CE2-CG 3.32Å; F410-K414 HydrophobicContact CZ-CB 4.26Å; F410-K414 HydrophobicContact CZ-CG 3.68Å; F410-K414 PolarHBondContact O-N 2.92Å; F410-K414 VanDerWaalsContact O-N 3.13Å; S411-K414 PolarHBondContact O-N 3.44Å; E412-K414 PolarHBondContact O-N 3.08Å; E412-K414 VanDerWaalsContact O-N 3.13Å; K414-K417 HydrophobicContact CD-CD 4.29Å; K414-K417 PolarHBondContact O-N 3.17Å; K414-L418 WeakPolarHBondContact O-CB 3.22Å; K414-L418 WeakPolarHBondContact O-CG 3.21Å; K414-L418 PolarHBondContact O-N 2.81Å; K414-L434 HydrophobicContact CB-CD2 3.37Å
415R84.8Confident82.8Confident62 Ų6276.7 Ų76.723%0.23438%0.379CS..Hα-helixtrans-57.7-51.4174.1-167.9-172-130.388-5.3109.4S411 E412 K417 L418 Q419 D427 L430 T431 L434S411-R415 WeakPolarHBondContact O-CA 3.48Å; S411-R415 WeakPolarHBondContact O-CB 3.39Å; S411-R415 PolarHBondContact O-N 2.66Å; E412-R415 PolarHBondContact O-N 3.5Å; R415-K417 VanDerWaalsContact C-N 3.26Å; R415-K417 PolarHBondContact O-N 3.33Å; R415-L418 PolarHBondContact O-N 2.94Å; R415-Q419 WeakPolarHBondContact O-CB 3.48Å; R415-Q419 PolarHBondContact O-N 3.01Å; R415-D427 IonicContact CZ-OD2 3.42Å; R415-D427 VanDerWaalsContact CZ-OD2 3.3Å; R415-D427 IonicContact NE-OD1 2.7Å; R415-D427 PolarHBondContact NE-OD1 3.27Å; R415-D427 IonicContact NE-OD2 3.46Å; R415-D427 PolarHBondContact NE-OD2 3.45Å; R415-D427 VanDerWaalsContact NE-OD2 3.13Å; R415-D427 IonicContact NH2-OD2 3.5Å; R415-D427 PolarHBondContact NH2-OD2 2.87Å; R415-L430 HydrophobicContact CG-CD2 3.53Å; R415-L430 HydrophobicContact CG-CG 4.04Å; R415-T431 PolarHBondContact NH2-OG1 3.41Å; R415-L434 HydrophobicContact CB-CD1 3.78Å; R415-L434 HydrophobicContact CG-CD1 4.14Å
416A83.8Confident82.9Confident69 Ų6977.8 Ų77.857%0.5739%0.385SS*.Hα-helixtrans-55.2-38.3179.100000113.5Q420A416-Q420 WeakPolarHBondContact O-CB 3.3Å; A416-Q420 PolarHBondContact O-N 2.96Å
417K83.4Confident82.7Confident91 Ų9181.1 Ų81.140%0.39640%0.402SS..Hα-helixtrans-76.6-48.7-179.2-65.3171.2-171.5171.10111.5E413 K414 R415 Q419 Q420 E421E413-K417 WeakPolarHBondContact O-CD 3Å; E413-K417 WeakPolarHBondContact O-CE 3.32Å; E413-K417 IonicContact OE1-NZ 2.73Å; E413-K417 PolarHBondContact OE1-NZ 3.49Å; K414-K417 HydrophobicContact CD-CD 4.29Å; K414-K417 PolarHBondContact O-N 3.17Å; R415-K417 VanDerWaalsContact C-N 3.26Å; R415-K417 PolarHBondContact O-N 3.33Å; K417-Q419 VanDerWaalsContact C-N 3.33Å; K417-Q419 PolarHBondContact O-N 2.97Å; K417-Q420 PolarHBondContact O-N 3.29Å; K417-E421 WeakPolarHBondContact O-CG 3.42Å; K417-E421 PolarHBondContact O-N 3.38Å
418L80.9Confident82.5Confident24 Ų2482.6 Ų82.613%0.12642%0.417CS..Hα-helixtrans-65.8-33.6178.9-71.4170.4000112.9K414 R415 Q420 E421 R422 L430 L433 L434 M437K414-L418 WeakPolarHBondContact O-CB 3.22Å; K414-L418 WeakPolarHBondContact O-CG 3.21Å; K414-L418 PolarHBondContact O-N 2.81Å; R415-L418 PolarHBondContact O-N 2.94Å; L418-Q420 VanDerWaalsContact C-N 3.32Å; L418-E421 PolarHBondContact O-N 2.98Å; L418-R422 WeakPolarHBondContact O-CA 3.19Å; L418-R422 WeakPolarHBondContact O-CB 3.41Å; L418-R422 PolarHBondContact O-N 3.36Å; L418-L430 HydrophobicContact CB-CD1 3.53Å; L418-L430 HydrophobicContact CD1-CD1 3.81Å; L418-L430 HydrophobicContact CG-CD1 4.35Å; L418-L433 HydrophobicContact CD1-CD2 4.08Å; L418-L433 HydrophobicContact CD1-CG 4.34Å; L418-L433 HydrophobicContact CD2-CD2 4.3Å; L418-L434 HydrophobicContact CD1-CD2 3.64Å; L418-L434 HydrophobicContact CD1-CG 4.14Å; L418-M437 HydrophobicContact CD1-SD 3.77Å; L418-M437 HydrophobicContact CD2-SD 4.49Å
419Q78.8Confident82.5Confident74 Ų7479.8 Ų79.835%0.34641%0.406SS..Hα-helixtrans-75.7-22178.1-156.1148.532.800112.3R415 K417 P423 D427 L430R415-Q419 WeakPolarHBondContact O-CB 3.48Å; R415-Q419 PolarHBondContact O-N 3.01Å; K417-Q419 VanDerWaalsContact C-N 3.33Å; K417-Q419 PolarHBondContact O-N 2.97Å; Q419-P423 WeakPolarHBondContact O-CA 3.47Å; Q419-D427 PolarHBondContact NE2-OD1 3.33Å; Q419-L430 HydrophobicContact CB-CD2 3.88Å; Q419-L430 VanDerWaalsContact CD-CD2 3.5Å; Q419-L430 HydrophobicContact CG-CD2 4.02Å
420Q82.1Confident82.4Confident161 Ų16178.6 Ų78.675%0.75240%0.4SS*.Hα-helixtrans-79.1-40.2167.7-172.1177.51700111.9A416 K417 L418 R422A416-Q420 WeakPolarHBondContact O-CB 3.3Å; A416-Q420 PolarHBondContact O-N 2.96Å; K417-Q420 PolarHBondContact O-N 3.29Å; L418-Q420 VanDerWaalsContact C-N 3.32Å; Q420-R422 VanDerWaalsContact C-N 3.34Å
421E80.5Confident82.2Confident137 Ų13781.4 Ų81.464%0.6442%0.418SS*.Hα-helixtrans-71.7-26.4176.3-71.4170-163.200113.1K417 L418K417-E421 WeakPolarHBondContact O-CG 3.42Å; K417-E421 PolarHBondContact O-N 3.38Å; L418-E421 PolarHBondContact O-N 2.98Å
422R75.5Confident82.3Confident164 Ų16486.9 Ų86.962%0.61944%0.437SS*.  trans-145.276.5-177.4-62.4-65.5174.8173.2-2.8111.9L418 Q420 D424 I425L418-R422 WeakPolarHBondContact O-CA 3.19Å; L418-R422 WeakPolarHBondContact O-CB 3.41Å; L418-R422 PolarHBondContact O-N 3.36Å; Q420-R422 VanDerWaalsContact C-N 3.34Å; R422-D424 PolarHBondContact O-N 2.78Å; R422-I425 HydrophobicContact CB-CB 4.3Å; R422-I425 HydrophobicContact CB-CD1 3.48Å; R422-I425 VanDerWaalsContact CB-CD1 3.48Å; R422-I425 HydrophobicContact CB-CG1 3.77Å; R422-I425 HydrophobicContact CG-CD1 3.74Å; R422-I425 HydrophobicContact CG-CG1 4.46Å; R422-I425 PolarHBondContact O-N 3.36Å
423P78.1Confident82.3Confident90 Ų9083.2 Ų83.258%0.58442%0.421SS*.THydrogen-bonded Turntrans-59-32.1179.8-25.136000114Q419 I425Q419-P423 WeakPolarHBondContact O-CA 3.47Å; P423-I425 VanDerWaalsContact C-N 3.3Å; P423-I425 PolarHBondContact O-N 2.76Å
424D75.5Confident82.4Confident153 Ų15380.3 Ų80.382%0.81841%0.408SS*.THydrogen-bonded Turntrans-81.4-1.9-175-43.9-70.3000114.2R422 P426R422-D424 PolarHBondContact O-N 2.78Å; D424-P426 WeakPolarHBondContact O-CD 3.25Å
425I80.3Confident82.4Confident53 Ų5379 Ų7927%0.27241%0.409SS..SBendtrans-80.4118.2176.4-71.4-178.1000109.1R422 P423 E429 L430R422-I425 HydrophobicContact CB-CB 4.3Å; R422-I425 HydrophobicContact CB-CD1 3.48Å; R422-I425 VanDerWaalsContact CB-CD1 3.48Å; R422-I425 HydrophobicContact CB-CG1 3.77Å; R422-I425 HydrophobicContact CG-CD1 3.74Å; R422-I425 HydrophobicContact CG-CG1 4.46Å; R422-I425 PolarHBondContact O-N 3.36Å; P423-I425 VanDerWaalsContact C-N 3.3Å; P423-I425 PolarHBondContact O-N 2.76Å; I425-E429 HydrophobicContact CG2-CB 3.5Å; I425-L430 HydrophobicContact CG2-CB 4.03Å
426P83.9Confident82.5Confident75 Ų7581.6 Ų81.649%0.48742%0.418SS..  trans-66.6150.6-179.528-34.7000111.1D424 S428 E429 L430D424-P426 WeakPolarHBondContact O-CD 3.25Å; P426-S428 PolarHBondContact O-N 3.11Å; P426-E429 HydrophobicContact CG-CB 4.06Å; P426-E429 HydrophobicContact CG-CG 3.75Å; P426-E429 WeakPolarHBondContact O-CA 3.35Å; P426-E429 WeakPolarHBondContact O-CB 3.28Å; P426-E429 PolarHBondContact O-N 2.91Å; P426-L430 PolarHBondContact O-N 3.08Å
427D79.3Confident82.6Confident72 Ų7281.3 Ų81.339%0.38541%0.406SS..Hα-helixtrans-62.9-19.2-166-139.160.9000114R415 Q419 T431R415-D427 IonicContact CZ-OD2 3.42Å; R415-D427 VanDerWaalsContact CZ-OD2 3.3Å; R415-D427 IonicContact NE-OD1 2.7Å; R415-D427 PolarHBondContact NE-OD1 3.27Å; R415-D427 IonicContact NE-OD2 3.46Å; R415-D427 PolarHBondContact NE-OD2 3.45Å; R415-D427 VanDerWaalsContact NE-OD2 3.13Å; R415-D427 IonicContact NH2-OD2 3.5Å; R415-D427 PolarHBondContact NH2-OD2 2.87Å; Q419-D427 PolarHBondContact NE2-OD1 3.33Å; D427-T431 WeakPolarHBondContact O-CB 3.33Å; D427-T431 PolarHBondContact O-N 3.27Å; D427-T431 PolarHBondContact O-OG1 2.84Å
428S82.2Confident82.8Confident77 Ų7778.7 Ų78.754%0.53839%0.393SS..Hα-helixtrans-79.4-34.9172.8590000114.3P426 R432P426-S428 PolarHBondContact O-N 3.11Å; S428-R432 WeakPolarHBondContact O-CB 3.5Å; S428-R432 PolarHBondContact O-N 3.25Å
429E84.9Confident83.1Confident77 Ų7783 Ų8336%0.3642%0.417SS..Hα-helixtrans-65.2-48.1165.8-78.4-65.4136.600109.6I425 P426 T431 R432 L433I425-E429 HydrophobicContact CG2-CB 3.5Å; P426-E429 HydrophobicContact CG-CB 4.06Å; P426-E429 HydrophobicContact CG-CG 3.75Å; P426-E429 WeakPolarHBondContact O-CA 3.35Å; P426-E429 WeakPolarHBondContact O-CB 3.28Å; P426-E429 PolarHBondContact O-N 2.91Å; E429-T431 PolarHBondContact O-N 3.41Å; E429-R432 CarbonylContact O-C 3.6Å; E429-R432 WeakPolarHBondContact O-CB 3.43Å; E429-R432 PolarHBondContact O-N 2.93Å; E429-R432 VanDerWaalsContact O-N 3.08Å; E429-R432 IonicContact OE1-CZ 3.88Å; E429-R432 IonicContact OE1-NH1 3.55Å; E429-R432 PolarHBondContact OE1-NH1 2.81Å; E429-R432 IonicContact OE1-NH2 3.34Å; E429-R432 PolarHBondContact OE1-NH2 3.1Å; E429-R432 IonicContact OE2-CZ 3.64Å; E429-R432 IonicContact OE2-NH1 2.65Å; E429-R432 IonicContact OE2-NH2 3.79Å; E429-R432 PolarHBondContact OE2-NH2 3.17Å; E429-L433 WeakPolarHBondContact O-CB 3.39Å; E429-L433 PolarHBondContact O-N 2.68Å
430L84.8Confident83.6Confident3 Ų386.1 Ų86.12%0.01643%0.431CS..Hα-helixtrans-59-44.7179.5-178.951.8000111.8R415 L418 Q419 I425 P426 R432 L433 L434R415-L430 HydrophobicContact CG-CD2 3.53Å; R415-L430 HydrophobicContact CG-CG 4.04Å; L418-L430 HydrophobicContact CB-CD1 3.53Å; L418-L430 HydrophobicContact CD1-CD1 3.81Å; L418-L430 HydrophobicContact CG-CD1 4.35Å; Q419-L430 HydrophobicContact CB-CD2 3.88Å; Q419-L430 VanDerWaalsContact CD-CD2 3.5Å; Q419-L430 HydrophobicContact CG-CD2 4.02Å; I425-L430 HydrophobicContact CG2-CB 4.03Å; P426-L430 PolarHBondContact O-N 3.08Å; L430-R432 PolarHBondContact O-N 3.44Å; L430-L433 PolarHBondContact O-N 3.24Å; L430-L434 HydrophobicContact CD1-CD1 4.06Å; L430-L434 HydrophobicContact CD1-CG 4.23Å; L430-L434 HydrophobicContact CG-CD1 4.05Å; L430-L434 WeakPolarHBondContact O-CB 3.35Å; L430-L434 WeakPolarHBondContact O-CD1 3.48Å; L430-L434 WeakPolarHBondContact O-CG 3.47Å; L430-L434 PolarHBondContact O-N 3.26Å
431T85.8Confident83.8Confident64 Ų6479.5 Ų79.539%0.39340%0.401SS..Hα-helixtrans-61.3-41.1174.1-58.70000112.3R415 D427 E429 L434 A435R415-T431 PolarHBondContact NH2-OG1 3.41Å; D427-T431 WeakPolarHBondContact O-CB 3.33Å; D427-T431 PolarHBondContact O-N 3.27Å; D427-T431 PolarHBondContact O-OG1 2.84Å; E429-T431 PolarHBondContact O-N 3.41Å; T431-L434 PolarHBondContact O-N 3.4Å; T431-A435 WeakPolarHBondContact O-CB 3.44Å; T431-A435 PolarHBondContact O-N 2.89Å
432R86.6Confident84.3Confident122 Ų12276.8 Ų76.846%0.4640%0.395SS..Hα-helixtrans-70.2-28.9176-95164.842.5-113.1-2.3113.7S428 E429 L430 R436S428-R432 WeakPolarHBondContact O-CB 3.5Å; S428-R432 PolarHBondContact O-N 3.25Å; E429-R432 CarbonylContact O-C 3.6Å; E429-R432 WeakPolarHBondContact O-CB 3.43Å; E429-R432 PolarHBondContact O-N 2.93Å; E429-R432 VanDerWaalsContact O-N 3.08Å; E429-R432 IonicContact OE1-CZ 3.88Å; E429-R432 IonicContact OE1-NH1 3.55Å; E429-R432 PolarHBondContact OE1-NH1 2.81Å; E429-R432 IonicContact OE1-NH2 3.34Å; E429-R432 PolarHBondContact OE1-NH2 3.1Å; E429-R432 IonicContact OE2-CZ 3.64Å; E429-R432 IonicContact OE2-NH1 2.65Å; E429-R432 IonicContact OE2-NH2 3.79Å; E429-R432 PolarHBondContact OE2-NH2 3.17Å; L430-R432 PolarHBondContact O-N 3.44Å; R432-R436 PolarHBondContact O-N 3.47Å; R432-R436 PolarHBondContact O-NE 2.95Å
433L84.9Confident84.7Confident55 Ų5574 Ų7429%0.28839%0.393SS..Hα-helixtrans-72.1-47.3172.618058000110.3L418 E429 L430 A435 R436 M437L418-L433 HydrophobicContact CD1-CD2 4.08Å; L418-L433 HydrophobicContact CD1-CG 4.34Å; L418-L433 HydrophobicContact CD2-CD2 4.3Å; E429-L433 WeakPolarHBondContact O-CB 3.39Å; E429-L433 PolarHBondContact O-N 2.68Å; L430-L433 PolarHBondContact O-N 3.24Å; L433-A435 VanDerWaalsContact C-N 3.32Å; L433-A435 PolarHBondContact O-N 2.82Å; L433-R436 WeakPolarHBondContact O-CB 3.3Å; L433-R436 PolarHBondContact O-N 2.67Å; L433-R436 VanDerWaalsContact O-N 3.13Å; L433-M437 HydrophobicContact CD1-CG 4.31Å; L433-M437 HydrophobicContact CD1-SD 4.33Å; L433-M437 HydrophobicContact CG-SD 4.09Å; L433-M437 WeakPolarHBondContact O-CG 3.45Å; L433-M437 PolarHBondContact O-N 3.42Å
434L87.9Confident85.1Confident1 Ų179.3 Ų79.31%0.00541%0.407CS..Hα-helixtrans-59.2-39.6175.6-69.8165.8000112.5K414 R415 L418 L430 T431 M437 W438K414-L434 HydrophobicContact CB-CD2 3.37Å; R415-L434 HydrophobicContact CB-CD1 3.78Å; R415-L434 HydrophobicContact CG-CD1 4.14Å; L418-L434 HydrophobicContact CD1-CD2 3.64Å; L418-L434 HydrophobicContact CD1-CG 4.14Å; L430-L434 HydrophobicContact CD1-CD1 4.06Å; L430-L434 HydrophobicContact CD1-CG 4.23Å; L430-L434 HydrophobicContact CG-CD1 4.05Å; L430-L434 WeakPolarHBondContact O-CB 3.35Å; L430-L434 WeakPolarHBondContact O-CD1 3.48Å; L430-L434 WeakPolarHBondContact O-CG 3.47Å; L430-L434 PolarHBondContact O-N 3.26Å; T431-L434 PolarHBondContact O-N 3.4Å; L434-M437 PolarHBondContact O-N 3.39Å; L434-W438 WeakPolarHBondContact O-CB 3.43Å; L434-W438 PolarHBondContact O-N 3.09Å
435A85.6Confident85.6Confident35 Ų3578.3 Ų78.329%0.28940%0.395SS..Hα-helixtrans-63.4-40.5174.600000113M407 T431 L433 N439M407-A435 HydrophobicContact CE-CB 4.15Å; T431-A435 WeakPolarHBondContact O-CB 3.44Å; T431-A435 PolarHBondContact O-N 2.89Å; L433-A435 VanDerWaalsContact C-N 3.32Å; L433-A435 PolarHBondContact O-N 2.82Å; A435-N439 VanDerWaalsContact O-CG 3.28Å; A435-N439 PolarHBondContact O-N 3.12Å; A435-N439 VanDerWaalsContact O-N 3.11Å; A435-N439 PolarHBondContact O-ND2 3.39Å
436R87.6Confident85.9Confident117 Ų11777.3 Ų77.344%0.44239%0.389SS..Hα-helixtrans-65-51.3173.8-82.2176.7-78.1174.1-2111.6R432 L433 W438 N439 E440R432-R436 PolarHBondContact O-N 3.47Å; R432-R436 PolarHBondContact O-NE 2.95Å; L433-R436 WeakPolarHBondContact O-CB 3.3Å; L433-R436 PolarHBondContact O-N 2.67Å; L433-R436 VanDerWaalsContact O-N 3.13Å; R436-W438 PolarHBondContact O-N 2.88Å; R436-N439 PolarHBondContact O-N 3.13Å; R436-E440 WeakPolarHBondContact O-CB 3.47Å; R436-E440 WeakPolarHBondContact O-CG 3.48Å; R436-E440 PolarHBondContact O-N 2.78Å
437M85.6Confident86.2Confident62 Ų6276.8 Ų76.831%0.30538%0.38SS..Hα-helixtrans-59.4-29.6177.1-67.2179.377.100113.6F410 L418 L433 L434 L441F410-M437 HydrophobicContact CE1-CB 4.29Å; F410-M437 HydrophobicContact CZ-CB 4.03Å; L418-M437 HydrophobicContact CD1-SD 3.77Å; L418-M437 HydrophobicContact CD2-SD 4.49Å; L433-M437 HydrophobicContact CD1-CG 4.31Å; L433-M437 HydrophobicContact CD1-SD 4.33Å; L433-M437 HydrophobicContact CG-SD 4.09Å; L433-M437 WeakPolarHBondContact O-CG 3.45Å; L433-M437 PolarHBondContact O-N 3.42Å; L434-M437 PolarHBondContact O-N 3.39Å; M437-L441 VanDerWaalsContact O-CB 3.24Å; M437-L441 WeakPolarHBondContact O-CB 3.36Å; M437-L441 VanDerWaalsContact O-CG 3.31Å; M437-L441 WeakPolarHBondContact O-CG 3.36Å; M437-L441 PolarHBondContact O-N 2.94Å
438W88.6Confident86.6Confident36 Ų3678.4 Ų78.414%0.13638%0.383CS..Hα-helixtrans-72.8-42.5171.2175.4-104000112.6A406 M407 F410 L434 R436 L441 K446 Y449A406-W438 HydrophobicContact CB-CH2 3.82Å; A406-W438 HydrophobicContact CB-CZ2 4.25Å; M407-W438 HydrophobicContact CB-CD2 4.3Å; M407-W438 HydrophobicContact CB-CG 4.47Å; M407-W438 HydrophobicContact CB-CZ2 4.37Å; M407-W438 HydrophobicContact CE-CB 4.28Å; M407-W438 HydrophobicContact CG-CG 4.38Å; M407-W438 HydrophobicContact SD-CB 3.35Å; M407-W438 WeakPolarHBondContact SD-CB 3.47Å; M407-W438 VanDerWaalsContact SD-CD1 3.55Å; M407-W438 HydrophobicContact SD-CD2 3.85Å; M407-W438 HydrophobicContact SD-CG 3.26Å; F410-W438 HydrophobicContact CB-CE3 3.58Å; F410-W438 HydrophobicContact CB-CZ3 3.64Å; F410-W438 HydrophobicContact CD1-CB 3.8Å; F410-W438 HydrophobicContact CD1-CD2 4.21Å; F410-W438 AromaticContact CD1-CE3 3.56Å; F410-W438 HydrophobicContact CD1-CE3 3.56Å; F410-W438 HydrophobicContact CD1-CG 4.35Å; F410-W438 HydrophobicContact CD1-CZ3 4.47Å; F410-W438 HydrophobicContact CD2-CE3 4.35Å; F410-W438 HydrophobicContact CE1-CB 3.78Å; F410-W438 HydrophobicContact CE1-CE3 4.37Å; F410-W438 AromaticContact CG-CE3 3.54Å; F410-W438 HydrophobicContact CG-CE3 3.54Å; F410-W438 HydrophobicContact CG-CZ3 4.03Å; L434-W438 WeakPolarHBondContact O-CB 3.43Å; L434-W438 PolarHBondContact O-N 3.09Å; R436-W438 PolarHBondContact O-N 2.88Å; W438-L441 HydrophobicContact CE3-CD1 3.99Å; W438-L441 VanDerWaalsContact O-CB 3.3Å; W438-L441 WeakPolarHBondContact O-CB 3.46Å; W438-L441 PolarHBondContact O-N 3.29Å; W438-K446 HydrophobicContact CE3-CG 4.33Å; W438-K446 HydrophobicContact CH2-CB 3.9Å; W438-K446 HydrophobicContact CH2-CG 3.98Å; W438-K446 HydrophobicContact CZ2-CB 4.33Å; W438-K446 HydrophobicContact CZ2-CG 4.16Å; W438-K446 HydrophobicContact CZ3-CB 4.26Å; W438-K446 HydrophobicContact CZ3-CG 4.07Å; W438-K446 WeakPolarHBondContact O-CE 3.38Å; W438-K446 PolarHBondContact O-NZ 3.27Å; W438-Y449 AromaticContact CZ3-CD2 3.82Å; W438-Y449 HydrophobicContact CZ3-CD2 3.82Å; W438-Y449 HydrophobicContact CZ3-CG 4.2Å
439N87.3Confident86.9Confident115 Ų11575.6 Ų75.662%0.61536%0.361SS*.Hα-helixtrans-65.8-43.7179.4-69.8-18.7000111.1A435 R436 L441 K446A435-N439 VanDerWaalsContact O-CG 3.28Å; A435-N439 PolarHBondContact O-N 3.12Å; A435-N439 VanDerWaalsContact O-N 3.11Å; A435-N439 PolarHBondContact O-ND2 3.39Å; R436-N439 PolarHBondContact O-N 3.13Å; N439-L441 VanDerWaalsContact C-N 3.25Å; N439-L441 PolarHBondContact O-N 3Å; N439-K446 PolarHBondContact O-NZ 3.39Å
440E88.9Confident87Confident139 Ų13976.4 Ų76.465%0.6536%0.363SS*.SBendtrans-68.5-17.5176.3-67.8156.2-155.700113.9R436 P442R436-E440 WeakPolarHBondContact O-CB 3.47Å; R436-E440 WeakPolarHBondContact O-CG 3.48Å; R436-E440 PolarHBondContact O-N 2.78Å; E440-P442 WeakPolarHBondContact O-CD 3.13Å
441L87.2Confident87.1Confident22 Ų2283.5 Ų83.512%0.11539%0.39CS..SBendtrans-66.1125.3-175.6-119.9170.8000111.5F410 M437 W438 N439 K445 K446F410-L441 HydrophobicContact CD1-CD1 4.33Å; F410-L441 HydrophobicContact CD2-CD1 3.56Å; F410-L441 HydrophobicContact CE1-CD1 4.05Å; F410-L441 HydrophobicContact CE2-CD1 3.22Å; F410-L441 HydrophobicContact CE2-CG 4.47Å; F410-L441 HydrophobicContact CG-CD1 4.1Å; F410-L441 HydrophobicContact CZ-CD1 3.5Å; F410-L441 VanDerWaalsContact CZ-CD1 3.5Å; M437-L441 VanDerWaalsContact O-CB 3.24Å; M437-L441 WeakPolarHBondContact O-CB 3.36Å; M437-L441 VanDerWaalsContact O-CG 3.31Å; M437-L441 WeakPolarHBondContact O-CG 3.36Å; M437-L441 PolarHBondContact O-N 2.94Å; W438-L441 HydrophobicContact CE3-CD1 3.99Å; W438-L441 VanDerWaalsContact O-CB 3.3Å; W438-L441 WeakPolarHBondContact O-CB 3.46Å; W438-L441 PolarHBondContact O-N 3.29Å; N439-L441 VanDerWaalsContact C-N 3.25Å; N439-L441 PolarHBondContact O-N 3Å; L441-K445 HydrophobicContact CD2-CB 3.27Å; L441-K445 HydrophobicContact CD2-CD 3.66Å; L441-K445 HydrophobicContact CD2-CG 4.11Å; L441-K446 HydrophobicContact CB-CG 4.06Å; L441-K446 WeakPolarHBondContact O-CD 3.12Å; L441-K446 WeakPolarHBondContact O-CE 3.49Å; L441-K446 PolarHBondContact O-NZ 3.21Å
442P90.7Very high87Confident80 Ų8083 Ų8352%0.51939%0.387SS..  trans-59.2144.9177.2-29.236.5000113.2E440 K444 K445 K446E440-P442 WeakPolarHBondContact O-CD 3.13Å; P442-K444 VanDerWaalsContact C-N 3.28Å; P442-K444 PolarHBondContact O-N 3.25Å; P442-K444 VanDerWaalsContact O-N 3.17Å; P442-K445 WeakPolarHBondContact O-CA 3.39Å; P442-K445 WeakPolarHBondContact O-CB 3.49Å; P442-K445 PolarHBondContact O-N 2.91Å; P442-K446 PolarHBondContact O-N 3.2Å; P442-K446 VanDerWaalsContact O-N 3.08Å
443D83.8Confident87.1Confident107 Ų10779.9 Ų79.957%0.57238%0.377SS*.Hα-helixtrans-58.9-36-172.1-66.8-59.6000113.7K445 K446 E447D443-K445 PolarHBondContact O-N 3.18Å; D443-K446 PolarHBondContact O-N 2.96Å; D443-K446 VanDerWaalsContact O-N 3.13Å; D443-K446 WeakPolarHBondContact OD1-CD 3.41Å; D443-E447 WeakPolarHBondContact O-CB 3.4Å; D443-E447 PolarHBondContact O-N 3.25Å
444K86.4Confident87.1Confident201 Ų20180 Ų8087%0.87439%0.386SS*.Hα-helixtrans-54.2-27.8172.5-68.1-174.6178.2-179.30113.4P442P442-K444 VanDerWaalsContact C-N 3.28Å; P442-K444 PolarHBondContact O-N 3.25Å; P442-K444 VanDerWaalsContact O-N 3.17Å
445K85.5Confident87Confident132 Ų13285.8 Ų85.857%0.57442%0.417SS*.Hα-helixtrans-93.6-36.9176.2-69.1179.1179.51760112.2L441 P442 D443 E447 K448 Y449L441-K445 HydrophobicContact CD2-CB 3.27Å; L441-K445 HydrophobicContact CD2-CD 3.66Å; L441-K445 HydrophobicContact CD2-CG 4.11Å; P442-K445 WeakPolarHBondContact O-CA 3.39Å; P442-K445 WeakPolarHBondContact O-CB 3.49Å; P442-K445 PolarHBondContact O-N 2.91Å; D443-K445 PolarHBondContact O-N 3.18Å; K445-E447 PolarHBondContact O-N 2.78Å; K445-K448 WeakPolarHBondContact O-CB 3.48Å; K445-K448 PolarHBondContact O-N 3.09Å; K445-Y449 VanDerWaalsContact O-CD2 3.26Å; K445-Y449 WeakPolarHBondContact O-CD2 3.44Å; K445-Y449 WeakPolarHBondContact O-CE2 3.35Å
446K87.6Confident86.9Confident31 Ų3188 Ų8814%0.13542%0.423CS..Hα-helixtrans-56.1-38.6169.7-70171.2169.5139.10111.4W438 N439 L441 P442 D443 K448 Y449 K450W438-K446 HydrophobicContact CE3-CG 4.33Å; W438-K446 HydrophobicContact CH2-CB 3.9Å; W438-K446 HydrophobicContact CH2-CG 3.98Å; W438-K446 HydrophobicContact CZ2-CB 4.33Å; W438-K446 HydrophobicContact CZ2-CG 4.16Å; W438-K446 HydrophobicContact CZ3-CB 4.26Å; W438-K446 HydrophobicContact CZ3-CG 4.07Å; W438-K446 WeakPolarHBondContact O-CE 3.38Å; W438-K446 PolarHBondContact O-NZ 3.27Å; N439-K446 PolarHBondContact O-NZ 3.39Å; L441-K446 HydrophobicContact CB-CG 4.06Å; L441-K446 WeakPolarHBondContact O-CD 3.12Å; L441-K446 WeakPolarHBondContact O-CE 3.49Å; L441-K446 PolarHBondContact O-NZ 3.21Å; P442-K446 PolarHBondContact O-N 3.2Å; P442-K446 VanDerWaalsContact O-N 3.08Å; D443-K446 PolarHBondContact O-N 2.96Å; D443-K446 VanDerWaalsContact O-N 3.13Å; D443-K446 WeakPolarHBondContact OD1-CD 3.41Å; K446-K448 VanDerWaalsContact C-N 3.28Å; K446-K448 PolarHBondContact O-N 3.48Å; K446-Y449 PolarHBondContact O-N 3.29Å; K446-K450 PolarHBondContact O-N 2.59Å
447E88.8Confident86.6Confident65 Ų6587.2 Ų87.230%0.30442%0.423SS..Hα-helixtrans-60.1-30.4179.8-173.258.9-155.100113.7D443 K445 Y449 K450 R451D443-E447 WeakPolarHBondContact O-CB 3.4Å; D443-E447 PolarHBondContact O-N 3.25Å; K445-E447 PolarHBondContact O-N 2.78Å; E447-Y449 VanDerWaalsContact C-N 3.32Å; E447-Y449 PolarHBondContact O-N 3.36Å; E447-K450 PolarHBondContact O-N 2.69Å; E447-K450 WeakPolarHBondContact OE2-CD 3.47Å; E447-R451 VanDerWaalsContact CG-NH2 3.25Å; E447-R451 WeakPolarHBondContact O-CG 3.46Å; E447-R451 PolarHBondContact O-N 2.86Å; E447-R451 IonicContact OE1-CZ 3.9Å; E447-R451 IonicContact OE1-NE 3.27Å; E447-R451 PolarHBondContact OE1-NE 3.38Å; E447-R451 IonicContact OE1-NH2 3.68Å
448K88.5Confident86.4Confident106 Ų10686.8 Ų86.846%0.46143%0.429SS..Hα-helixtrans-53.9-51.5169.5179.9-162168.1-1650110.2E413 K445 K446 R451 V452E413-K448 IonicContact OE2-NZ 2.74Å; E413-K448 PolarHBondContact OE2-NZ 3.38Å; K445-K448 WeakPolarHBondContact O-CB 3.48Å; K445-K448 PolarHBondContact O-N 3.09Å; K446-K448 VanDerWaalsContact C-N 3.28Å; K446-K448 PolarHBondContact O-N 3.48Å; K448-R451 PolarHBondContact O-N 3.44Å; K448-V452 PolarHBondContact O-N 3.31Å
449Y88.5Confident86Confident18 Ų1889.9 Ų89.97%0.07145%0.445CS..Hα-helixtrans-76.1-33.3-174.2-53.6-82.8000112.2A406 I409 F410 E413 W438 K445 K446 E447 R451 V452 E453A406-Y449 VanDerWaalsContact CB-C 3.44Å; I409-Y449 HydrophobicContact CB-CD1 4.46Å; I409-Y449 HydrophobicContact CG2-CD1 4.1Å; F410-Y449 HydrophobicContact CB-CD1 3.94Å; F410-Y449 HydrophobicContact CB-CD2 4.13Å; F410-Y449 HydrophobicContact CB-CE1 4.1Å; F410-Y449 HydrophobicContact CB-CE2 4.28Å; F410-Y449 HydrophobicContact CB-CG 3.97Å; F410-Y449 HydrophobicContact CD2-CD2 4.47Å; F410-Y449 HydrophobicContact CD2-CE1 4.31Å; F410-Y449 AromaticContact CD2-CE2 3.85Å; F410-Y449 HydrophobicContact CD2-CE2 3.85Å; F410-Y449 AromaticContact CD2-CZ 3.76Å; F410-Y449 HydrophobicContact CG-CE2 4.48Å; E413-Y449 PolarHBondContact OE2-OH 3.35Å; W438-Y449 AromaticContact CZ3-CD2 3.82Å; W438-Y449 HydrophobicContact CZ3-CD2 3.82Å; W438-Y449 HydrophobicContact CZ3-CG 4.2Å; K445-Y449 VanDerWaalsContact O-CD2 3.26Å; K445-Y449 WeakPolarHBondContact O-CD2 3.44Å; K445-Y449 WeakPolarHBondContact O-CE2 3.35Å; K446-Y449 PolarHBondContact O-N 3.29Å; E447-Y449 VanDerWaalsContact C-N 3.32Å; E447-Y449 PolarHBondContact O-N 3.36Å; Y449-R451 VanDerWaalsContact C-N 3.28Å; Y449-R451 PolarHBondContact O-N 2.89Å; Y449-V452 PolarHBondContact O-N 3.03Å; Y449-V452 VanDerWaalsContact O-N 3.13Å; Y449-E453 PolarHBondContact O-N 3.45Å
450K86.9Confident85.5Confident93 Ų9386.4 Ų86.440%0.40443%0.43SS..Hα-helixtrans-57.8-38.4171.3-71.3177.6179.4173.60112.5A406 K446 E447 E453 A454A406-K450 HydrophobicContact CB-CG 4.19Å; K446-K450 PolarHBondContact O-N 2.59Å; E447-K450 PolarHBondContact O-N 2.69Å; E447-K450 WeakPolarHBondContact OE2-CD 3.47Å; K450-E453 PolarHBondContact O-N 2.99Å; K450-A454 WeakPolarHBondContact O-CB 3.41Å; K450-A454 PolarHBondContact O-N 3.43Å
451R87.1Confident84.9Confident153 Ų15384 Ų8458%0.57742%0.419SS*.Hα-helixtrans-69.3-35.7175.3-66.7174.7-158.8157.4-0.3112.6E447 K448 Y449 A454 L455E447-R451 VanDerWaalsContact CG-NH2 3.25Å; E447-R451 WeakPolarHBondContact O-CG 3.46Å; E447-R451 PolarHBondContact O-N 2.86Å; E447-R451 IonicContact OE1-CZ 3.9Å; E447-R451 IonicContact OE1-NE 3.27Å; E447-R451 PolarHBondContact OE1-NE 3.38Å; E447-R451 IonicContact OE1-NH2 3.68Å; K448-R451 PolarHBondContact O-N 3.44Å; Y449-R451 VanDerWaalsContact C-N 3.28Å; Y449-R451 PolarHBondContact O-N 2.89Å; R451-A454 PolarHBondContact O-N 3Å; R451-L455 VanDerWaalsContact O-CG 3.3Å; R451-L455 WeakPolarHBondContact O-CG 3.47Å; R451-L455 PolarHBondContact O-N 3.09Å
452V83.7Confident84.4Confident53 Ų5388.1 Ų88.132%0.32144%0.436SS..Hα-helixtrans-68.7-40.7174.2-173.10000110.9I409 K448 Y449 A454 L455 L456I409-V452 HydrophobicContact CD1-CB 4.06Å; I409-V452 HydrophobicContact CD1-CG1 3.96Å; I409-V452 HydrophobicContact CG2-CB 4.41Å; I409-V452 HydrophobicContact CG2-CG1 4.13Å; K448-V452 PolarHBondContact O-N 3.31Å; Y449-V452 PolarHBondContact O-N 3.03Å; Y449-V452 VanDerWaalsContact O-N 3.13Å; V452-A454 VanDerWaalsContact C-N 3.35Å; V452-A454 PolarHBondContact O-N 3.18Å; V452-L455 PolarHBondContact O-N 3.37Å; V452-L456 HydrophobicContact CG1-CD1 4Å; V452-L456 HydrophobicContact CG1-CG 4.29Å; V452-L456 WeakPolarHBondContact O-CB 3.18Å; V452-L456 WeakPolarHBondContact O-CG 3.32Å; V452-L456 PolarHBondContact O-N 2.92Å
453E87.2Confident83.5Confident57 Ų5790.2 Ų90.227%0.26644%0.437SS..Hα-helixtrans-57.4-45.6170.7171.8174.4-155.300111.5S405 A406 I409 Y449 K450 L455 L456 K457S405-E453 VanDerWaalsContact CA-CD 3.49Å; S405-E453 WeakPolarHBondContact CA-OE1 2.99Å; S405-E453 VanDerWaalsContact CB-OE1 3.3Å; S405-E453 WeakPolarHBondContact CB-OE1 3.37Å; S405-E453 PolarHBondContact OG-OE1 3.37Å; S405-E453 PolarHBondContact OG-OE2 2.84Å; A406-E453 HydrophobicContact CB-CB 4.13Å; A406-E453 WeakPolarHBondContact CB-OE2 3.26Å; A406-E453 VanDerWaalsContact N-CD 3.28Å; A406-E453 PolarHBondContact N-OE2 3.38Å; I409-E453 HydrophobicContact CD1-CB 4Å; Y449-E453 PolarHBondContact O-N 3.45Å; K450-E453 PolarHBondContact O-N 2.99Å; E453-L455 PolarHBondContact O-N 3.12Å; E453-L456 PolarHBondContact O-N 3.17Å; E453-K457 WeakPolarHBondContact O-CB 3.34Å; E453-K457 PolarHBondContact O-N 3.49Å
454A85Confident82.8Confident58 Ų5890.9 Ų90.948%0.47944%0.436SS..Hα-helixtrans-63.2-40.5177.500000113K450 R451 V452 A458K450-A454 WeakPolarHBondContact O-CB 3.41Å; K450-A454 PolarHBondContact O-N 3.43Å; R451-A454 PolarHBondContact O-N 3Å; V452-A454 VanDerWaalsContact C-N 3.35Å; V452-A454 PolarHBondContact O-N 3.18Å; A454-A458 WeakPolarHBondContact O-CB 3.4Å; A454-A458 PolarHBondContact O-N 3.23Å
455L86.5Confident81.9Confident122 Ų12289.6 Ų89.664%0.63943%0.426SS*.Hα-helixtrans-69.5-45.2177.1-71.7167.4000112.2R451 V452 E453 K457 A458 E459R451-L455 VanDerWaalsContact O-CG 3.3Å; R451-L455 WeakPolarHBondContact O-CG 3.47Å; R451-L455 PolarHBondContact O-N 3.09Å; V452-L455 PolarHBondContact O-N 3.37Å; E453-L455 PolarHBondContact O-N 3.12Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 3.02Å; L455-A458 PolarHBondContact O-N 2.89Å; L455-E459 PolarHBondContact O-N 3.01Å
456L82.8Confident81.1Confident81 Ų8187.4 Ų87.442%0.42442%0.418SS..Hα-helixtrans-62.9-37175.2-71.4173.6000111.7I409 V452 E453 S460I409-L456 HydrophobicContact CD1-CD1 3.84Å; I409-L456 HydrophobicContact CG1-CD1 4.44Å; V452-L456 HydrophobicContact CG1-CD1 4Å; V452-L456 HydrophobicContact CG1-CG 4.29Å; V452-L456 WeakPolarHBondContact O-CB 3.18Å; V452-L456 WeakPolarHBondContact O-CG 3.32Å; V452-L456 PolarHBondContact O-N 2.92Å; E453-L456 PolarHBondContact O-N 3.17Å; L456-S460 WeakPolarHBondContact O-CB 3.4Å; L456-S460 PolarHBondContact O-N 3.11Å; L456-S460 PolarHBondContact O-OG 3.34Å
457K82.3Confident79.8Confident100 Ų10088.9 Ų88.944%0.43543%0.427SS..Hα-helixtrans-62.7-50.5171.6176.8172.6173.3-177.40111.4P403 E453 L455 E459 S460 E461P403-K457 HydrophobicContact CB-CB 4.02Å; P403-K457 HydrophobicContact CG-CB 3.95Å; P403-K457 HydrophobicContact CG-CD 4.5Å; P403-K457 HydrophobicContact CG-CG 4.06Å; E453-K457 WeakPolarHBondContact O-CB 3.34Å; E453-K457 PolarHBondContact O-N 3.49Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 3.02Å; K457-E459 VanDerWaalsContact C-N 3.32Å; K457-E459 PolarHBondContact O-N 3.34Å; K457-S460 WeakPolarHBondContact CA-OG 3.43Å; K457-S460 PolarHBondContact O-N 3.38Å; K457-S460 VanDerWaalsContact O-N 3.09Å; K457-S460 PolarHBondContact O-OG 2.88Å; K457-E461 WeakPolarHBondContact CE-OE1 3.5Å; K457-E461 HydrophobicContact CG-CG 4.5Å; K457-E461 IonicContact NZ-OE1 2.68Å; K457-E461 PolarHBondContact O-N 3.43Å
458A82.1Confident78.5Confident54 Ų5495.2 Ų95.245%0.44645%0.448SS..Hα-helixtrans-59.2-41.5179.500000112.4A454 L455 E461 K462A454-A458 WeakPolarHBondContact O-CB 3.4Å; A454-A458 PolarHBondContact O-N 3.23Å; L455-A458 PolarHBondContact O-N 2.89Å; A458-E461 PolarHBondContact O-N 2.8Å; A458-K462 VanDerWaalsContact O-CB 3.27Å; A458-K462 WeakPolarHBondContact O-CB 3.48Å; A458-K462 PolarHBondContact O-N 2.91Å
459E79.8Confident77.1Confident101 Ų10194.7 Ų94.747%0.47246%0.458SS..Hα-helixtrans-68.3-34.8175.7-165.458.8-145.800111.8L455 K457 K462 K463L455-E459 PolarHBondContact O-N 3.01Å; K457-E459 VanDerWaalsContact C-N 3.32Å; K457-E459 PolarHBondContact O-N 3.34Å; E459-K462 PolarHBondContact O-N 2.93Å; E459-K462 IonicContact OE1-NZ 2.66Å; E459-K462 PolarHBondContact OE1-NZ 3.4Å; E459-K462 IonicContact OE2-NZ 3.93Å; E459-K462 PolarHBondContact OE2-NZ 3.13Å; E459-K463 WeakPolarHBondContact O-CB 3.28Å; E459-K463 PolarHBondContact O-N 3.47Å
460S75.9Confident76Confident42 Ų4299.5 Ų99.529%0.29448%0.476SS..Hα-helixtrans-67.3-39.6173.674.80000113.5L456 K457 K463 E464L456-S460 WeakPolarHBondContact O-CB 3.4Å; L456-S460 PolarHBondContact O-N 3.11Å; L456-S460 PolarHBondContact O-OG 3.34Å; K457-S460 WeakPolarHBondContact CA-OG 3.43Å; K457-S460 PolarHBondContact O-N 3.38Å; K457-S460 VanDerWaalsContact O-N 3.09Å; K457-S460 PolarHBondContact O-OG 2.88Å; S460-K463 PolarHBondContact O-N 3.31Å; S460-E464 PolarHBondContact O-N 3.23Å
461E77.1Confident75.1Confident87 Ų87100.8 Ų100.841%0.40749%0.486SS..Hα-helixtrans-71.9-33176.4-70.3179.6-175.600112.1K457 A458 R465K457-E461 WeakPolarHBondContact CE-OE1 3.5Å; K457-E461 HydrophobicContact CG-CG 4.5Å; K457-E461 IonicContact NZ-OE1 2.68Å; K457-E461 PolarHBondContact O-N 3.43Å; A458-E461 PolarHBondContact O-N 2.8Å; E461-R465 WeakPolarHBondContact O-CB 3.38Å; E461-R465 PolarHBondContact O-N 3.4Å; E461-R465 VanDerWaalsContact O-N 3.08Å
462K77Confident74.5Confident110 Ų11094.5 Ų94.548%0.47847%0.465SS..Hα-helixtrans-64.9-46170.3172.5177.2159.7-123.10110.9A458 E459 R465 E466A458-K462 VanDerWaalsContact O-CB 3.27Å; A458-K462 WeakPolarHBondContact O-CB 3.48Å; A458-K462 PolarHBondContact O-N 2.91Å; E459-K462 PolarHBondContact O-N 2.93Å; E459-K462 IonicContact OE1-NZ 2.66Å; E459-K462 PolarHBondContact OE1-NZ 3.4Å; E459-K462 IonicContact OE2-NZ 3.93Å; E459-K462 PolarHBondContact OE2-NZ 3.13Å; K462-R465 WeakPolarHBondContact O-CB 3.43Å; K462-R465 PolarHBondContact O-N 3.27Å; K462-E466 PolarHBondContact O-N 2.96Å
463K71.5Confident74.3Confident123 Ų12396.8 Ų96.854%0.53548%0.476SS..Hα-helixtrans-64.6-42.5175.8-176170.3-179.4175.60112.6E459 S460 R465 E466 D467E459-K463 WeakPolarHBondContact O-CB 3.28Å; E459-K463 PolarHBondContact O-N 3.47Å; S460-K463 PolarHBondContact O-N 3.31Å; K463-R465 VanDerWaalsContact C-N 3.27Å; K463-R465 PolarHBondContact O-N 3.21Å; K463-E466 PolarHBondContact O-N 3.37Å; K463-D467 WeakPolarHBondContact CE-OD2 3.33Å; K463-D467 WeakPolarHBondContact CG-OD2 2.83Å; K463-D467 WeakPolarHBondContact O-CB 3.36Å; K463-D467 PolarHBondContact O-N 3.49Å
464E68.6Low74Confident122 Ų12298.6 Ų98.657%0.5749%0.492SS*.Hα-helixtrans-59.5-39.5173.8-177.2178.1-172.700111.6S460 R468S460-E464 PolarHBondContact O-N 3.23Å; E464-R468 VanDerWaalsContact O-CB 3.27Å; E464-R468 WeakPolarHBondContact O-CB 3.17Å; E464-R468 PolarHBondContact O-N 2.94Å
465R67.8Low74.2Confident174 Ų17497.5 Ų97.566%0.65748%0.481SS*.Hα-helixtrans-66.2-40.7175.8-168.2-178.5-54167.37.8112.3E461 K462 K463 S469E461-R465 WeakPolarHBondContact O-CB 3.38Å; E461-R465 PolarHBondContact O-N 3.4Å; E461-R465 VanDerWaalsContact O-N 3.08Å; K462-R465 WeakPolarHBondContact O-CB 3.43Å; K462-R465 PolarHBondContact O-N 3.27Å; K463-R465 VanDerWaalsContact C-N 3.27Å; K463-R465 PolarHBondContact O-N 3.21Å; R465-S469 PolarHBondContact O-N 2.98Å; R465-S469 VanDerWaalsContact O-N 3.15Å
466E68.4Low74.4Confident85 Ų8595.1 Ų95.140%0.39747%0.465SS..Hα-helixtrans-66.3-50.6176.1-165.4-174.6165.900111.3K462 K463 R468 S469 R470K462-E466 PolarHBondContact O-N 2.96Å; K463-E466 PolarHBondContact O-N 3.37Å; E466-R468 VanDerWaalsContact C-N 3.26Å; E466-R468 PolarHBondContact O-N 3.4Å; E466-S469 CarbonylContact O-C 3.55Å; E466-S469 WeakPolarHBondContact O-CA 3.48Å; E466-S469 WeakPolarHBondContact O-CB 3.45Å; E466-S469 PolarHBondContact O-N 3.25Å; E466-S469 PolarHBondContact O-OG 2.75Å; E466-R470 VanDerWaalsContact CD-NH2 3.34Å; E466-R470 WeakPolarHBondContact O-CG 3.42Å; E466-R470 PolarHBondContact O-N 2.81Å; E466-R470 VanDerWaalsContact O-N 3.11Å; E466-R470 IonicContact OE1-CZ 3.35Å; E466-R470 IonicContact OE1-NE 2.64Å; E466-R470 IonicContact OE1-NH2 3.29Å; E466-R470 PolarHBondContact OE1-NH2 2.71Å; E466-R470 IonicContact OE2-NH2 3.41Å
467D60.7Low74.9Confident63 Ų6394.8 Ų94.834%0.33747%0.466SS..Hα-helixtrans-62.7-31.8177.3-73.8-35.2000112.1K463 S469 R470K463-D467 WeakPolarHBondContact CE-OD2 3.33Å; K463-D467 WeakPolarHBondContact CG-OD2 2.83Å; K463-D467 WeakPolarHBondContact O-CB 3.36Å; K463-D467 PolarHBondContact O-N 3.49Å; D467-S469 VanDerWaalsContact C-N 3.32Å; D467-S469 PolarHBondContact O-N 2.81Å; D467-R470 PolarHBondContact O-N 2.85Å; D467-R470 IonicContact OD1-CZ 2.65Å; D467-R470 IonicContact OD1-NE 3.37Å; D467-R470 IonicContact OD1-NH1 2.83Å; D467-R470 PolarHBondContact OD1-NH1 2.68Å
468R60.4Low75.3Confident198 Ų19890.6 Ų90.675%0.74745%0.451SS*.Hα-helixtrans-68.2-28.5170.3-159.1-176.384.7-172.67.5113.2E464 E466 R470E464-R468 VanDerWaalsContact O-CB 3.27Å; E464-R468 WeakPolarHBondContact O-CB 3.17Å; E464-R468 PolarHBondContact O-N 2.94Å; E466-R468 VanDerWaalsContact C-N 3.26Å; E466-R468 PolarHBondContact O-N 3.4Å; R468-R470 VanDerWaalsContact C-N 3.33Å
469S59.5Low75.8Confident94 Ų9490.6 Ų90.666%0.65744%0.442SS*.Hα-helixtrans-81.7-10.317468.90000113.9R465 E466 D467R465-S469 PolarHBondContact O-N 2.98Å; R465-S469 VanDerWaalsContact O-N 3.15Å; E466-S469 CarbonylContact O-C 3.55Å; E466-S469 WeakPolarHBondContact O-CA 3.48Å; E466-S469 WeakPolarHBondContact O-CB 3.45Å; E466-S469 PolarHBondContact O-N 3.25Å; E466-S469 PolarHBondContact O-OG 2.75Å; D467-S469 VanDerWaalsContact C-N 3.32Å; D467-S469 PolarHBondContact O-N 2.81Å
470R65.9Low76.5Confident120 Ų12090.2 Ų90.245%0.45344%0.44SS..THydrogen-bonded Turntrans-89.58.1174.8-66.2171.4-177176.5-11.7113.6E466 D467 R468 M538E466-R470 VanDerWaalsContact CD-NH2 3.34Å; E466-R470 WeakPolarHBondContact O-CG 3.42Å; E466-R470 PolarHBondContact O-N 2.81Å; E466-R470 VanDerWaalsContact O-N 3.11Å; E466-R470 IonicContact OE1-CZ 3.35Å; E466-R470 IonicContact OE1-NE 2.64Å; E466-R470 IonicContact OE1-NH2 3.29Å; E466-R470 PolarHBondContact OE1-NH2 2.71Å; E466-R470 IonicContact OE2-NH2 3.41Å; D467-R470 PolarHBondContact O-N 2.85Å; D467-R470 IonicContact OD1-CZ 2.65Å; D467-R470 IonicContact OD1-NE 3.37Å; D467-R470 IonicContact OD1-NH1 2.83Å; D467-R470 PolarHBondContact OD1-NH1 2.68Å; R468-R470 VanDerWaalsContact C-N 3.33Å; R470-M538 VanDerWaalsContact O-CE 3.23Å; R470-M538 WeakPolarHBondContact O-CE 3.36Å
471L68.1Low77.2Confident119 Ų11989 Ų8962%0.62343%0.43SS*.SBendtrans-114.7136.3178.1-68.3176.2000111.2
472P75.4Confident78.1Confident21 Ų2185.3 Ų85.314%0.13641%0.412CS..PPolyproline II helixtrans-59.9148.3174-23.533.8000113.1Y531 D534 L535 M538P472-Y531 HydrophobicContact CB-CD2 4.18Å; P472-Y531 HydrophobicContact CB-CE2 4.37Å; P472-D534 HydrophobicContact CB-CB 3.74Å; P472-D534 HydrophobicContact CG-CB 3.69Å; P472-L535 HydrophobicContact CG-CD2 4.24Å; P472-M538 HydrophobicContact CG-CG 4.04Å
473D78.4Confident78.9Confident102 Ų10281.1 Ų81.155%0.54539%0.394SS..PPolyproline II helixtrans-56.4134.2174.9-66.9-56.3000111.7R530 Y531D473-R530 IonicContact OD2-NH1 3.84Å; D473-Y531 WeakPolarHBondContact O-CD2 3.2Å
474P80.8Confident79.9Confident94 Ų9481 Ų8161%0.6140%0.396SS*.PPolyproline II helixtrans-62.4149176.526.9-34.6000112.1
475P88.8Confident81Confident36 Ų3678.4 Ų78.423%0.23439%0.391CS..PPolyproline II helixtrans-75.1135.4-169.829.6-31.5000111.2Q528 Y531P475-Q528 HydrophobicContact CB-CB 4.46Å; P475-Q528 VanDerWaalsContact CG-OE1 3.24Å; P475-Y531 HydrophobicContact CB-CD1 4.38Å; P475-Y531 HydrophobicContact CB-CG 4.22Å; P475-Y531 VanDerWaalsContact CD-CD1 3.5Å; P475-Y531 HydrophobicContact CG-CD1 3.69Å; P475-Y531 HydrophobicContact CG-CE1 4.24Å; P475-Y531 HydrophobicContact CG-CG 3.96Å
476K91.3Very high82.2Confident71 Ų7171.3 Ų71.331%0.30937%0.367SS..PPolyproline II helixtrans-82.7142.3-173.5-66.1167.1-174.6168.80111.9E480 I481 D527K476-E480 HydrophobicContact CB-CB 4.14Å; K476-I481 HydrophobicContact CB-CD1 4.08Å; K476-I481 HydrophobicContact CB-CG1 3.59Å; K476-I481 HydrophobicContact CD-CG1 4.38Å; K476-D527 WeakPolarHBondContact CB-OD2 3.45Å; K476-D527 PolarHBondContact N-OD2 3.02Å
477T92.4Very high83.3Confident74 Ų7469.5 Ų69.545%0.45436%0.359SS..PPolyproline II helixtrans-68.7161.3170.965.20000111.5Q479 E480 I481T477-Q479 PolarHBondContact O-N 3.28Å; T477-E480 VanDerWaalsContact CB-OE2 3.24Å; T477-E480 WeakPolarHBondContact CB-OE2 3.31Å; T477-E480 VanDerWaalsContact CG2-OE2 3.29Å; T477-E480 WeakPolarHBondContact CG2-OE2 3.43Å; T477-E480 PolarHBondContact N-OE2 2.64Å; T477-E480 PolarHBondContact O-N 2.83Å; T477-E480 VanDerWaalsContact O-N 3.09Å; T477-E480 WeakPolarHBondContact OG1-CG 3.4Å; T477-E480 PolarHBondContact OG1-N 3.49Å; T477-E480 PolarHBondContact OG1-OE2 2.94Å; T477-I481 WeakPolarHBondContact O-CG1 3.39Å; T477-I481 PolarHBondContact O-N 2.96Å
478A92Very high84.7Confident13 Ų1368.9 Ų68.911%0.10737%0.368CS..Hα-helixtrans-56.1-33.8174.500000112.5W482 W509 W520 I521 A524A478-W482 WeakPolarHBondContact O-CB 3.03Å; A478-W482 PolarHBondContact O-N 2.69Å; A478-W482 VanDerWaalsContact O-N 3.09Å; A478-W509 HydrophobicContact CB-CH2 3.71Å; A478-W509 HydrophobicContact CB-CZ2 3.96Å; A478-W520 HydrophobicContact CB-CB 4.02Å; A478-W520 WeakPolarHBondContact CB-O 3.45Å; A478-I521 HydrophobicContact CB-CG1 3.89Å; A478-A524 HydrophobicContact CB-CB 4.1Å
479Q93.1Very high86.2Confident54 Ų5464.1 Ų64.125%0.25236%0.357SS..Hα-helixtrans-65.3-49.1175-176.1167.6-20.900111.3T477 I481 W482 Q483 W509T477-Q479 PolarHBondContact O-N 3.28Å; Q479-I481 PolarHBondContact O-N 3.44Å; Q479-W482 PolarHBondContact O-N 2.73Å; Q479-Q483 HydrophobicContact CG-CG 4.35Å; Q479-Q483 VanDerWaalsContact O-CB 3.3Å; Q479-Q483 WeakPolarHBondContact O-CB 3.42Å; Q479-Q483 VanDerWaalsContact O-CG 3.24Å; Q479-Q483 WeakPolarHBondContact O-CG 3.25Å; Q479-Q483 PolarHBondContact O-N 3.45Å; Q479-W509 HydrophobicContact CB-CD2 4.03Å; Q479-W509 HydrophobicContact CB-CG 4.24Å; Q479-W509 HydrophobicContact CB-CZ2 3.99Å; Q479-W509 HydrophobicContact CG-CB 4.4Å; Q479-W509 HydrophobicContact CG-CD2 4Å; Q479-W509 HydrophobicContact CG-CG 3.73Å
480E92.6Very high87.7Confident92 Ų9261.3 Ų61.343%0.4333%0.332SS..Hα-helixtrans-66.6-36.2-178.6-70.5157.7129.900112.5K476 T477 Q483 Q484K476-E480 HydrophobicContact CB-CB 4.14Å; T477-E480 VanDerWaalsContact CB-OE2 3.24Å; T477-E480 WeakPolarHBondContact CB-OE2 3.31Å; T477-E480 VanDerWaalsContact CG2-OE2 3.29Å; T477-E480 WeakPolarHBondContact CG2-OE2 3.43Å; T477-E480 PolarHBondContact N-OE2 2.64Å; T477-E480 PolarHBondContact O-N 2.83Å; T477-E480 VanDerWaalsContact O-N 3.09Å; T477-E480 WeakPolarHBondContact OG1-CG 3.4Å; T477-E480 PolarHBondContact OG1-N 3.49Å; T477-E480 PolarHBondContact OG1-OE2 2.94Å; E480-Q483 PolarHBondContact O-N 3.01Å; E480-Q484 VanDerWaalsContact O-CB 3.29Å; E480-Q484 WeakPolarHBondContact O-CB 3.41Å; E480-Q484 PolarHBondContact O-N 3Å
481I92.4Very high89Confident17 Ų1756.3 Ų56.39%0.08732%0.315CS..Hα-helixtrans-69.1-42176.1-62.1176000111K476 T477 Q479 S485 W520 K523 A524 D527K476-I481 HydrophobicContact CB-CD1 4.08Å; K476-I481 HydrophobicContact CB-CG1 3.59Å; K476-I481 HydrophobicContact CD-CG1 4.38Å; T477-I481 WeakPolarHBondContact O-CG1 3.39Å; T477-I481 PolarHBondContact O-N 2.96Å; Q479-I481 PolarHBondContact O-N 3.44Å; I481-S485 PolarHBondContact O-N 3.17Å; I481-S485 VanDerWaalsContact O-N 3.15Å; I481-W520 HydrophobicContact CG2-CE3 3.97Å; I481-W520 HydrophobicContact CG2-CZ3 4.18Å; I481-K523 HydrophobicContact CG2-CB 4.26Å; I481-K523 HydrophobicContact CG2-CD 3.81Å; I481-K523 HydrophobicContact CG2-CG 3.95Å; I481-A524 HydrophobicContact CD1-CB 3.96Å; I481-D527 HydrophobicContact CD1-CB 3.96Å
482W94.9Very high90.1Very high9 Ų954 Ų543%0.03431%0.314CS..Hα-helixtrans-63.2-47.8172.3170.868.3000111.2A478 Q479 Q484 S485 V486 M505 V508 W509 M512 W520A478-W482 WeakPolarHBondContact O-CB 3.03Å; A478-W482 PolarHBondContact O-N 2.69Å; A478-W482 VanDerWaalsContact O-N 3.09Å; Q479-W482 PolarHBondContact O-N 2.73Å; W482-Q484 VanDerWaalsContact C-N 3.33Å; W482-Q484 PolarHBondContact O-N 3.32Å; W482-S485 WeakPolarHBondContact O-CA 3.43Å; W482-S485 WeakPolarHBondContact O-CB 3.35Å; W482-S485 PolarHBondContact O-N 2.8Å; W482-S485 PolarHBondContact O-OG 3.06Å; W482-V486 HydrophobicContact CD2-CG2 4.43Å; W482-V486 HydrophobicContact CH2-CG2 4.18Å; W482-V486 HydrophobicContact CZ2-CG1 4.49Å; W482-V486 HydrophobicContact CZ2-CG2 3.83Å; W482-V486 PolarHBondContact O-N 2.82Å; W482-M505 HydrophobicContact CH2-CB 3.88Å; W482-M505 HydrophobicContact CH2-CG 4.39Å; W482-M505 WeakPolarHBondContact CH2-O 3.39Å; W482-M505 HydrophobicContact CZ3-CB 3.82Å; W482-M505 WeakPolarHBondContact CZ3-O 3.43Å; W482-V508 HydrophobicContact CH2-CB 3.99Å; W482-V508 HydrophobicContact CH2-CG1 4Å; W482-V508 HydrophobicContact CZ2-CB 4.36Å; W482-V508 HydrophobicContact CZ2-CG1 3.87Å; W482-W509 HydrophobicContact CB-CE3 4.02Å; W482-W509 HydrophobicContact CB-CZ3 3.76Å; W482-W509 AromaticContact CD2-CE3 3.86Å; W482-W509 HydrophobicContact CD2-CE3 3.86Å; W482-W509 HydrophobicContact CD2-CZ3 4.43Å; W482-W509 HydrophobicContact CE3-CB 3.94Å; W482-W509 HydrophobicContact CE3-CD2 4.29Å; W482-W509 AromaticContact CE3-CE3 3.72Å; W482-W509 HydrophobicContact CE3-CE3 3.72Å; W482-W509 HydrophobicContact CE3-CG 4.41Å; W482-W509 AromaticContact CG-CE3 3.99Å; W482-W509 HydrophobicContact CG-CE3 3.99Å; W482-W509 HydrophobicContact CG-CZ3 4.07Å; W482-W509 HydrophobicContact CH2-CB 4.41Å; W482-W509 HydrophobicContact CZ3-CB 3.66Å; W482-M512 HydrophobicContact CZ2-CE 4.1Å; W482-W520 HydrophobicContact CB-CB 4.43Å; W482-W520 HydrophobicContact CB-CD2 3.65Å; W482-W520 HydrophobicContact CB-CE3 3.94Å; W482-W520 HydrophobicContact CB-CG 3.83Å; W482-W520 AromaticContact CD1-CE2 3.49Å; W482-W520 VanDerWaalsContact CD1-CE2 3.49Å; W482-W520 AromaticContact CD1-CZ2 3.66Å; W482-W520 AromaticContact CD1-NE1 3.57Å; W482-W520 HydrophobicContact CG-CD2 4.26Å; W482-W520 HydrophobicContact CG-CG 4.48Å
483Q93.8Very high90.8Very high23 Ų2361.6 Ų61.611%0.10734%0.339CS..Hα-helixtrans-56.3-46.7177.4-77.7-171.2-2.400111Q479 E480 S485 V486 I487 M505Q479-Q483 HydrophobicContact CG-CG 4.35Å; Q479-Q483 VanDerWaalsContact O-CB 3.3Å; Q479-Q483 WeakPolarHBondContact O-CB 3.42Å; Q479-Q483 VanDerWaalsContact O-CG 3.24Å; Q479-Q483 WeakPolarHBondContact O-CG 3.25Å; Q479-Q483 PolarHBondContact O-N 3.45Å; E480-Q483 PolarHBondContact O-N 3.01Å; Q483-S485 PolarHBondContact O-N 3.26Å; Q483-V486 PolarHBondContact O-N 2.7Å; Q483-V486 VanDerWaalsContact O-N 3.16Å; Q483-I487 WeakPolarHBondContact O-CB 3.34Å; Q483-I487 PolarHBondContact O-N 3.2Å; Q483-M505 VanDerWaalsContact CA-CE 3.47Å; Q483-M505 HydrophobicContact CB-CE 3.46Å; Q483-M505 VanDerWaalsContact CB-CE 3.46Å; Q483-M505 HydrophobicContact CG-CB 4.23Å; Q483-M505 HydrophobicContact CG-CE 3.68Å; Q483-M505 WeakPolarHBondContact O-CE 3.49Å
484Q91.8Very high91.4Very high121 Ų12160.2 Ų60.257%0.56533%0.329SS*.Hα-helixtrans-63.6-25.3177.2-173164.925.500113E480 W482E480-Q484 VanDerWaalsContact O-CB 3.29Å; E480-Q484 WeakPolarHBondContact O-CB 3.41Å; E480-Q484 PolarHBondContact O-N 3Å; W482-Q484 VanDerWaalsContact C-N 3.33Å; W482-Q484 PolarHBondContact O-N 3.32Å
485S92.8Very high91.9Very high67 Ų6765 Ų6547%0.46934%0.34SS..Hα-helixtrans-78.2-25.5175.175.50000114.4I481 W482 Q483 W520I481-S485 PolarHBondContact O-N 3.17Å; I481-S485 VanDerWaalsContact O-N 3.15Å; W482-S485 WeakPolarHBondContact O-CA 3.43Å; W482-S485 WeakPolarHBondContact O-CB 3.35Å; W482-S485 PolarHBondContact O-N 2.8Å; W482-S485 PolarHBondContact O-OG 3.06Å; Q483-S485 PolarHBondContact O-N 3.26Å; S485-W520 WeakPolarHBondContact OG-CH2 3.36Å
486V92.9Very high91.9Very high25 Ų2569.3 Ų69.315%0.15236%0.361CS..Hα-helixtrans-112.2-4.9-177-53.80000114.2W482 Q483 G488 D489 Y490 M505W482-V486 HydrophobicContact CD2-CG2 4.43Å; W482-V486 HydrophobicContact CH2-CG2 4.18Å; W482-V486 HydrophobicContact CZ2-CG1 4.49Å; W482-V486 HydrophobicContact CZ2-CG2 3.83Å; W482-V486 PolarHBondContact O-N 2.82Å; Q483-V486 PolarHBondContact O-N 2.7Å; Q483-V486 VanDerWaalsContact O-N 3.16Å; V486-G488 PolarHBondContact O-N 3.27Å; V486-G488 VanDerWaalsContact O-N 3.15Å; V486-D489 PolarHBondContact O-N 2.79Å; V486-Y490 HydrophobicContact CB-CD2 3.96Å; V486-Y490 HydrophobicContact CB-CE2 3.99Å; V486-Y490 HydrophobicContact CG2-CD2 3.8Å; V486-Y490 HydrophobicContact CG2-CE2 3.77Å; V486-Y490 WeakPolarHBondContact O-CD2 3.26Å; V486-Y490 PolarHBondContact O-N 2.96Å; V486-M505 HydrophobicContact CG2-CE 3.93Å; V486-M505 HydrophobicContact CG2-CG 4.18Å; V486-M505 HydrophobicContact CG2-SD 4.5Å
487I91Very high91.9Very high46 Ų4668.1 Ų68.124%0.23636%0.358CS..Hα-helixtrans-56.4-34.1-174.2-172.262.5000113.1Q483 V491 M505Q483-I487 WeakPolarHBondContact O-CB 3.34Å; Q483-I487 PolarHBondContact O-N 3.2Å; I487-V491 HydrophobicContact CD1-CG2 3.68Å; I487-V491 HydrophobicContact CG1-CG2 3.92Å; I487-V491 VanDerWaalsContact O-CB 3.23Å; I487-V491 WeakPolarHBondContact O-CB 3.49Å; I487-V491 WeakPolarHBondContact O-CG2 3.15Å; I487-V491 PolarHBondContact O-N 3.22Å; I487-M505 HydrophobicContact CB-CE 4.04Å; I487-M505 HydrophobicContact CD1-CE 3.75Å; I487-M505 HydrophobicContact CD1-SD 3.67Å; I487-M505 HydrophobicContact CG1-CE 4.48Å
488G90.4Very high91.5Very high50 Ų5072.7 Ų72.752%0.51537%0.367SS..Hα-helixtrans-59.9-55.7176.700000112.3V486 Y490 V491 A492V486-G488 PolarHBondContact O-N 3.27Å; V486-G488 VanDerWaalsContact O-N 3.15Å; G488-Y490 VanDerWaalsContact C-N 3.32Å; G488-Y490 PolarHBondContact O-N 3.37Å; G488-V491 PolarHBondContact O-N 3.28Å; G488-A492 PolarHBondContact O-N 3.15Å
489D91.6Very high91.5Very high98 Ų9877 Ų7752%0.52439%0.394SS..Hα-helixtrans-58.8-42.2179.7-64.1-5.4000112.2V486 R493V486-D489 PolarHBondContact O-N 2.79Å; D489-R493 WeakPolarHBondContact O-CB 3.39Å; D489-R493 WeakPolarHBondContact O-CD 3.3Å; D489-R493 WeakPolarHBondContact O-CG 2.82Å; D489-R493 PolarHBondContact O-N 3.13Å
490Y92.3Very high91.4Very high35 Ų3580.2 Ų80.214%0.13741%0.407CS..Hα-helixtrans-71.6-41.7179.7-81.9-106.1000111.8V486 G488 A492 R493 F494 A504 M505V486-Y490 HydrophobicContact CB-CD2 3.96Å; V486-Y490 HydrophobicContact CB-CE2 3.99Å; V486-Y490 HydrophobicContact CG2-CD2 3.8Å; V486-Y490 HydrophobicContact CG2-CE2 3.77Å; V486-Y490 WeakPolarHBondContact O-CD2 3.26Å; V486-Y490 PolarHBondContact O-N 2.96Å; G488-Y490 VanDerWaalsContact C-N 3.32Å; G488-Y490 PolarHBondContact O-N 3.37Å; Y490-A492 VanDerWaalsContact C-N 3.28Å; Y490-A492 PolarHBondContact O-N 2.94Å; Y490-R493 PolarHBondContact O-N 2.97Å; Y490-F494 HydrophobicContact CD1-CD2 4.47Å; Y490-F494 HydrophobicContact CD1-CE2 4.07Å; Y490-F494 WeakPolarHBondContact O-CB 3.14Å; Y490-F494 VanDerWaalsContact O-CD2 3.28Å; Y490-F494 WeakPolarHBondContact O-CD2 3.4Å; Y490-F494 PolarHBondContact O-N 3.03Å; Y490-A504 HydrophobicContact CD1-CB 4.04Å; Y490-A504 HydrophobicContact CE1-CB 4.04Å; Y490-M505 VanDerWaalsContact CB-SD 3.59Å; Y490-M505 HydrophobicContact CD1-CB 4.49Å; Y490-M505 HydrophobicContact CD1-CG 3.34Å; Y490-M505 HydrophobicContact CD1-SD 4.2Å; Y490-M505 HydrophobicContact CD2-CG 3.83Å; Y490-M505 HydrophobicContact CD2-SD 4.35Å; Y490-M505 HydrophobicContact CE1-CB 4.48Å; Y490-M505 HydrophobicContact CE1-CG 3.65Å; Y490-M505 HydrophobicContact CE2-CG 4.12Å; Y490-M505 HydrophobicContact CG-CG 3.41Å; Y490-M505 VanDerWaalsContact CG-CG 3.41Å; Y490-M505 HydrophobicContact CG-SD 3.82Å
491V91.4Very high91.3Very high16 Ų1675.9 Ų75.910%0.09739%0.387CS..Hα-helixtrans-62.8-36.6175.7169.80000111.1I487 G488 K495 N496 R498 A501I487-V491 HydrophobicContact CD1-CG2 3.68Å; I487-V491 HydrophobicContact CG1-CG2 3.92Å; I487-V491 VanDerWaalsContact O-CB 3.23Å; I487-V491 WeakPolarHBondContact O-CB 3.49Å; I487-V491 WeakPolarHBondContact O-CG2 3.15Å; I487-V491 PolarHBondContact O-N 3.22Å; G488-V491 PolarHBondContact O-N 3.28Å; V491-K495 PolarHBondContact O-N 3.36Å; V491-N496 WeakPolarHBondContact CG1-OD1 3.27Å; V491-N496 WeakPolarHBondContact O-CA 3.47Å; V491-N496 PolarHBondContact O-N 2.67Å; V491-R498 HydrophobicContact CG2-CG 4.01Å; V491-A501 HydrophobicContact CG2-CB 3.95Å
492A91.5Very high91.2Very high71 Ų7179 Ų7959%0.58740%0.401SS*.Hα-helixtrans-64.4-51.5171.100000112.2G488 Y490 F494 K495G488-A492 PolarHBondContact O-N 3.15Å; Y490-A492 VanDerWaalsContact C-N 3.28Å; Y490-A492 PolarHBondContact O-N 2.94Å; A492-F494 PolarHBondContact O-N 3.44Å; A492-K495 PolarHBondContact O-N 3.35Å; A492-K495 VanDerWaalsContact O-N 3.11Å
493R90.1Very high91.1Very high179 Ų17985.7 Ų85.768%0.67543%0.43SS*.Hα-helixtrans-56.7-34.8177.7-72.2164.4-166.5-127.75.2112.8D489 Y490D489-R493 WeakPolarHBondContact O-CB 3.39Å; D489-R493 WeakPolarHBondContact O-CD 3.3Å; D489-R493 WeakPolarHBondContact O-CG 2.82Å; D489-R493 PolarHBondContact O-N 3.13Å; Y490-R493 PolarHBondContact O-N 2.97Å
494F91.9Very high91Very high73 Ų7385.6 Ų85.632%0.3243%0.433SS..THydrogen-bonded Turntrans-96.821.7179.8-72.5-76.4000114.2Y490 A492 N496 D497 K500 A501 A504Y490-F494 HydrophobicContact CD1-CD2 4.47Å; Y490-F494 HydrophobicContact CD1-CE2 4.07Å; Y490-F494 WeakPolarHBondContact O-CB 3.14Å; Y490-F494 VanDerWaalsContact O-CD2 3.28Å; Y490-F494 WeakPolarHBondContact O-CD2 3.4Å; Y490-F494 PolarHBondContact O-N 3.03Å; A492-F494 PolarHBondContact O-N 3.44Å; F494-N496 VanDerWaalsContact C-N 3.35Å; F494-N496 PolarHBondContact O-N 3.38Å; F494-D497 HydrophobicContact CB-CB 4.39Å; F494-D497 WeakPolarHBondContact O-CB 3.29Å; F494-D497 PolarHBondContact O-N 3.37Å; F494-K500 HydrophobicContact CB-CB 4.32Å; F494-K500 HydrophobicContact CD1-CB 3.73Å; F494-K500 HydrophobicContact CD1-CD 4.46Å; F494-K500 HydrophobicContact CE1-CB 4.31Å; F494-K500 HydrophobicContact CG-CB 4.09Å; F494-A501 HydrophobicContact CB-CB 4.32Å; F494-A501 HydrophobicContact CD2-CB 4.15Å; F494-A504 HydrophobicContact CD2-CB 4.39Å; F494-A504 HydrophobicContact CE2-CB 3.37Å; F494-A504 HydrophobicContact CZ-CB 3.49Å; F494-A504 VanDerWaalsContact CZ-CB 3.49Å
495K91.5Very high91Very high195 Ų19579.8 Ų79.885%0.84841%0.406SS*.THydrogen-bonded Turntrans53.546174.1-56.5-176.2179.1-176.60113.4V491 A492 D497V491-K495 PolarHBondContact O-N 3.36Å; A492-K495 PolarHBondContact O-N 3.35Å; A492-K495 VanDerWaalsContact O-N 3.11Å; K495-D497 PolarHBondContact O-N 3.08Å
496N87.7Confident91Very high127 Ų12781.8 Ų81.868%0.67941%0.408SS*.THydrogen-bonded Turntrans66.75.7-174.3-65.1-39.6000116.8V491 F494 R498V491-N496 WeakPolarHBondContact CG1-OD1 3.27Å; V491-N496 WeakPolarHBondContact O-CA 3.47Å; V491-N496 PolarHBondContact O-N 2.67Å; F494-N496 VanDerWaalsContact C-N 3.35Å; F494-N496 PolarHBondContact O-N 3.38Å; N496-R498 PolarHBondContact O-N 2.9Å
497D90.9Very high91Very high46 Ų4684.4 Ų84.425%0.24642%0.424CS..  trans-73.488.2172.5-168.2-42.1000111.1F494 K495 P499 K500 A501F494-D497 HydrophobicContact CB-CB 4.39Å; F494-D497 WeakPolarHBondContact O-CB 3.29Å; F494-D497 PolarHBondContact O-N 3.37Å; K495-D497 PolarHBondContact O-N 3.08Å; D497-P499 VanDerWaalsContact OD1-CD 3.24Å; D497-P499 WeakPolarHBondContact OD1-CD 3.46Å; D497-K500 HydrophobicContact CB-CB 4.14Å; D497-K500 HydrophobicContact CB-CD 4.41Å; D497-K500 HydrophobicContact CB-CG 4.39Å; D497-K500 PolarHBondContact O-N 3.42Å; D497-K500 WeakPolarHBondContact OD1-CB 3.26Å; D497-K500 WeakPolarHBondContact OD1-CG 3.32Å; D497-K500 PolarHBondContact OD1-N 3.05Å; D497-K500 WeakPolarHBondContact OD2-CD 3.24Å; D497-K500 WeakPolarHBondContact OD2-CG 3.44Å; D497-K500 IonicContact OD2-NZ 3.58Å; D497-K500 PolarHBondContact OD2-NZ 3.16Å; D497-A501 WeakPolarHBondContact O-CB 3.35Å; D497-A501 PolarHBondContact O-N 2.94Å
498R85.9Confident91.1Very high169 Ų16984.6 Ų84.664%0.63843%0.428SS*.Hα-helixtrans-56.3-44.6177.6-70.3-176176.3109.9-1.8113.1V491 N496 K500 A501 H502V491-R498 HydrophobicContact CG2-CG 4.01Å; N496-R498 PolarHBondContact O-N 2.9Å; R498-K500 PolarHBondContact O-N 2.98Å; R498-A501 PolarHBondContact O-N 3.49Å; R498-H502 PolarHBondContact O-CD2 2.69Å; R498-H502 PolarHBondContact O-N 3.46Å
499P90.9Very high91.1Very high104 Ų10483.8 Ų83.868%0.67541%0.409SS*.Hα-helixtrans-56-46.9174.4-28.435.6000114.4D497 K503D497-P499 VanDerWaalsContact OD1-CD 3.24Å; D497-P499 WeakPolarHBondContact OD1-CD 3.46Å; P499-K503 PolarHBondContact O-N 3.1Å; P499-K503 VanDerWaalsContact O-N 3.09Å
500K90.4Very high91.1Very high122 Ų12283 Ų8353%0.5341%0.411SS..Hα-helixtrans-66.6-40.9177.1-70.5-173.5-174.691.60111.8F494 D497 R498 K503 A504F494-K500 HydrophobicContact CB-CB 4.32Å; F494-K500 HydrophobicContact CD1-CB 3.73Å; F494-K500 HydrophobicContact CD1-CD 4.46Å; F494-K500 HydrophobicContact CE1-CB 4.31Å; F494-K500 HydrophobicContact CG-CB 4.09Å; D497-K500 HydrophobicContact CB-CB 4.14Å; D497-K500 HydrophobicContact CB-CD 4.41Å; D497-K500 HydrophobicContact CB-CG 4.39Å; D497-K500 PolarHBondContact O-N 3.42Å; D497-K500 WeakPolarHBondContact OD1-CB 3.26Å; D497-K500 WeakPolarHBondContact OD1-CG 3.32Å; D497-K500 PolarHBondContact OD1-N 3.05Å; D497-K500 WeakPolarHBondContact OD2-CD 3.24Å; D497-K500 WeakPolarHBondContact OD2-CG 3.44Å; D497-K500 IonicContact OD2-NZ 3.58Å; D497-K500 PolarHBondContact OD2-NZ 3.16Å; R498-K500 PolarHBondContact O-N 2.98Å; K500-K503 PolarHBondContact O-N 3.15Å; K500-A504 WeakPolarHBondContact O-CB 3.5Å; K500-A504 PolarHBondContact O-N 2.82Å
501A91.6Very high91Very high0 Ų086.7 Ų86.70%044%0.437CS..Hα-helixtrans-56.4-54.5173.900000111.8V491 F494 D497 R498 K503 A504 M505V491-A501 HydrophobicContact CG2-CB 3.95Å; F494-A501 HydrophobicContact CB-CB 4.32Å; F494-A501 HydrophobicContact CD2-CB 4.15Å; D497-A501 WeakPolarHBondContact O-CB 3.35Å; D497-A501 PolarHBondContact O-N 2.94Å; R498-A501 PolarHBondContact O-N 3.49Å; A501-K503 VanDerWaalsContact C-N 3.34Å; A501-K503 PolarHBondContact O-N 2.64Å; A501-A504 PolarHBondContact O-N 3.31Å; A501-M505 HydrophobicContact CB-SD 4.42Å; A501-M505 WeakPolarHBondContact O-CG 3.25Å; A501-M505 PolarHBondContact O-N 3.3Å; A501-M505 VanDerWaalsContact O-SD 3.34Å
502H90.6Very high91Very high84 Ų8487.5 Ų87.539%0.38944%0.441SS..Hα-helixtrans-59.1-40.8178.8-87-83.3000112.9R498 M505 E506R498-H502 PolarHBondContact O-CD2 2.69Å; R498-H502 PolarHBondContact O-N 3.46Å; H502-M505 PolarHBondContact O-N 3.02Å; H502-E506 PolarHBondContact O-N 3.47Å
503K92.4Very high90.9Very high149 Ų14989 Ų8965%0.64844%0.435SS*.Hα-helixtrans-65.5-42.8177.7-170.9175.2-176.9178.70112.2P499 K500 A501 M505 E506 T507P499-K503 PolarHBondContact O-N 3.1Å; P499-K503 VanDerWaalsContact O-N 3.09Å; K500-K503 PolarHBondContact O-N 3.15Å; A501-K503 VanDerWaalsContact C-N 3.34Å; A501-K503 PolarHBondContact O-N 2.64Å; K503-M505 VanDerWaalsContact C-N 3.31Å; K503-M505 PolarHBondContact O-N 3.11Å; K503-E506 PolarHBondContact O-N 3.23Å; K503-T507 PolarHBondContact O-N 3.44Å; K503-T507 VanDerWaalsContact O-N 3.08Å; K503-T507 PolarHBondContact O-OG1 3.43Å
504A92.4Very high90.7Very high20 Ų2089.3 Ų89.317%0.16544%0.442CS..Hα-helixtrans-64-38.1175.200000111.9Y490 F494 K500 A501 T507 V508Y490-A504 HydrophobicContact CD1-CB 4.04Å; Y490-A504 HydrophobicContact CE1-CB 4.04Å; F494-A504 HydrophobicContact CD2-CB 4.39Å; F494-A504 HydrophobicContact CE2-CB 3.37Å; F494-A504 HydrophobicContact CZ-CB 3.49Å; F494-A504 VanDerWaalsContact CZ-CB 3.49Å; K500-A504 WeakPolarHBondContact O-CB 3.5Å; K500-A504 PolarHBondContact O-N 2.82Å; A501-A504 PolarHBondContact O-N 3.31Å; A504-T507 WeakPolarHBondContact CA-OG1 3.47Å; A504-T507 PolarHBondContact O-N 3.38Å; A504-T507 PolarHBondContact O-OG1 2.91Å; A504-V508 PolarHBondContact O-N 3.19Å
505M91.8Very high90.6Very high0 Ų092.3 Ų92.30%045%0.454CS..Hα-helixtrans-63.4-46.8174-66.9155.960.200110.8W482 Q483 V486 I487 Y490 A501 H502 K503 T507 V508 W509W482-M505 HydrophobicContact CH2-CB 3.88Å; W482-M505 HydrophobicContact CH2-CG 4.39Å; W482-M505 WeakPolarHBondContact CH2-O 3.39Å; W482-M505 HydrophobicContact CZ3-CB 3.82Å; W482-M505 WeakPolarHBondContact CZ3-O 3.43Å; Q483-M505 VanDerWaalsContact CA-CE 3.47Å; Q483-M505 HydrophobicContact CB-CE 3.46Å; Q483-M505 VanDerWaalsContact CB-CE 3.46Å; Q483-M505 HydrophobicContact CG-CB 4.23Å; Q483-M505 HydrophobicContact CG-CE 3.68Å; Q483-M505 WeakPolarHBondContact O-CE 3.49Å; V486-M505 HydrophobicContact CG2-CE 3.93Å; V486-M505 HydrophobicContact CG2-CG 4.18Å; V486-M505 HydrophobicContact CG2-SD 4.5Å; I487-M505 HydrophobicContact CB-CE 4.04Å; I487-M505 HydrophobicContact CD1-CE 3.75Å; I487-M505 HydrophobicContact CD1-SD 3.67Å; I487-M505 HydrophobicContact CG1-CE 4.48Å; Y490-M505 VanDerWaalsContact CB-SD 3.59Å; Y490-M505 HydrophobicContact CD1-CB 4.49Å; Y490-M505 HydrophobicContact CD1-CG 3.34Å; Y490-M505 HydrophobicContact CD1-SD 4.2Å; Y490-M505 HydrophobicContact CD2-CG 3.83Å; Y490-M505 HydrophobicContact CD2-SD 4.35Å; Y490-M505 HydrophobicContact CE1-CB 4.48Å; Y490-M505 HydrophobicContact CE1-CG 3.65Å; Y490-M505 HydrophobicContact CE2-CG 4.12Å; Y490-M505 HydrophobicContact CG-CG 3.41Å; Y490-M505 VanDerWaalsContact CG-CG 3.41Å; Y490-M505 HydrophobicContact CG-SD 3.82Å; A501-M505 HydrophobicContact CB-SD 4.42Å; A501-M505 WeakPolarHBondContact O-CG 3.25Å; A501-M505 PolarHBondContact O-N 3.3Å; A501-M505 VanDerWaalsContact O-SD 3.34Å; H502-M505 PolarHBondContact O-N 3.02Å; K503-M505 VanDerWaalsContact C-N 3.31Å; K503-M505 PolarHBondContact O-N 3.11Å; M505-T507 VanDerWaalsContact C-N 3.3Å; M505-T507 PolarHBondContact O-N 3.06Å; M505-V508 PolarHBondContact O-N 3.15Å; M505-V508 VanDerWaalsContact O-N 3.09Å; M505-W509 PolarHBondContact O-N 3.49Å
506E92.3Very high90.5Very high109 Ų10986.9 Ų86.951%0.50943%0.432SS..Hα-helixtrans-57-40.1175.4-176.7169.5-134.600112.8H502 K503 V508 W509 S510H502-E506 PolarHBondContact O-N 3.47Å; K503-E506 PolarHBondContact O-N 3.23Å; E506-V508 VanDerWaalsContact C-N 3.33Å; E506-V508 PolarHBondContact O-N 2.73Å; E506-W509 PolarHBondContact O-N 3.37Å; E506-S510 PolarHBondContact O-N 3.14Å
507T92.6Very high90.7Very high80 Ų8082.7 Ų82.749%0.49141%0.408SS..Hα-helixtrans-69.4-24.3175.751.40000114.9K503 A504 M505 S510 T511K503-T507 PolarHBondContact O-N 3.44Å; K503-T507 VanDerWaalsContact O-N 3.08Å; K503-T507 PolarHBondContact O-OG1 3.43Å; A504-T507 WeakPolarHBondContact CA-OG1 3.47Å; A504-T507 PolarHBondContact O-N 3.38Å; A504-T507 PolarHBondContact O-OG1 2.91Å; M505-T507 VanDerWaalsContact C-N 3.3Å; M505-T507 PolarHBondContact O-N 3.06Å; T507-S510 PolarHBondContact O-OG 2.83Å; T507-S510 VanDerWaalsContact O-OG 3.09Å; T507-T511 PolarHBondContact O-OG1 2.92Å; T507-T511 VanDerWaalsContact O-OG1 3.06Å
508V92.8Very high90.7Very high50 Ų5084.7 Ų84.730%0.30342%0.417SS..Hα-helixtrans-84.2-35.2172.6170.40000110.8W482 A504 M505 E506 S510 T511 M512W482-V508 HydrophobicContact CH2-CB 3.99Å; W482-V508 HydrophobicContact CH2-CG1 4Å; W482-V508 HydrophobicContact CZ2-CB 4.36Å; W482-V508 HydrophobicContact CZ2-CG1 3.87Å; A504-V508 PolarHBondContact O-N 3.19Å; M505-V508 PolarHBondContact O-N 3.15Å; M505-V508 VanDerWaalsContact O-N 3.09Å; E506-V508 VanDerWaalsContact C-N 3.33Å; E506-V508 PolarHBondContact O-N 2.73Å; V508-S510 VanDerWaalsContact C-N 3.34Å; V508-S510 PolarHBondContact O-N 3.34Å; V508-T511 PolarHBondContact O-N 3.18Å; V508-T511 PolarHBondContact O-OG1 2.89Å; V508-M512 HydrophobicContact CG1-CE 4.46Å; V508-M512 WeakPolarHBondContact O-CB 3.28Å; V508-M512 WeakPolarHBondContact O-CG 3.38Å; V508-M512 PolarHBondContact O-N 3.01Å
509W91.3Very high90.9Very high33 Ų3382 Ų8213%0.12541%0.414CS..Hα-helixtrans-64.1-37.3172.5-179.3-103.4000112.3A478 Q479 W482 M505 E506 M512 K517 W520A478-W509 HydrophobicContact CB-CH2 3.71Å; A478-W509 HydrophobicContact CB-CZ2 3.96Å; Q479-W509 HydrophobicContact CB-CD2 4.03Å; Q479-W509 HydrophobicContact CB-CG 4.24Å; Q479-W509 HydrophobicContact CB-CZ2 3.99Å; Q479-W509 HydrophobicContact CG-CB 4.4Å; Q479-W509 HydrophobicContact CG-CD2 4Å; Q479-W509 HydrophobicContact CG-CG 3.73Å; W482-W509 HydrophobicContact CB-CE3 4.02Å; W482-W509 HydrophobicContact CB-CZ3 3.76Å; W482-W509 AromaticContact CD2-CE3 3.86Å; W482-W509 HydrophobicContact CD2-CE3 3.86Å; W482-W509 HydrophobicContact CD2-CZ3 4.43Å; W482-W509 HydrophobicContact CE3-CB 3.94Å; W482-W509 HydrophobicContact CE3-CD2 4.29Å; W482-W509 AromaticContact CE3-CE3 3.72Å; W482-W509 HydrophobicContact CE3-CE3 3.72Å; W482-W509 HydrophobicContact CE3-CG 4.41Å; W482-W509 AromaticContact CG-CE3 3.99Å; W482-W509 HydrophobicContact CG-CE3 3.99Å; W482-W509 HydrophobicContact CG-CZ3 4.07Å; W482-W509 HydrophobicContact CH2-CB 4.41Å; W482-W509 HydrophobicContact CZ3-CB 3.66Å; M505-W509 PolarHBondContact O-N 3.49Å; E506-W509 PolarHBondContact O-N 3.37Å; W509-M512 HydrophobicContact CE3-SD 4.09Å; W509-M512 HydrophobicContact CZ3-SD 4.4Å; W509-K517 HydrophobicContact CH2-CB 4.41Å; W509-K517 HydrophobicContact CH2-CG 3.88Å; W509-K517 HydrophobicContact CZ2-CG 4.22Å; W509-K517 HydrophobicContact CZ3-CG 4.07Å; W509-K517 WeakPolarHBondContact O-CE 3.43Å; W509-K517 PolarHBondContact O-NZ 3.01Å; W509-W520 HydrophobicContact CH2-CB 3.97Å; W509-W520 HydrophobicContact CZ3-CB 4.06Å; W509-W520 AromaticContact CZ3-CD1 3.98Å; W509-W520 HydrophobicContact CZ3-CG 4.14Å
510S90Very high91.1Very high82 Ų8278.4 Ų78.457%0.57339%0.387SS*.Hα-helixtrans-65.3-44.6177.764.80000111.6E506 T507 V508 K517E506-S510 PolarHBondContact O-N 3.14Å; T507-S510 PolarHBondContact O-OG 2.83Å; T507-S510 VanDerWaalsContact O-OG 3.09Å; V508-S510 VanDerWaalsContact C-N 3.34Å; V508-S510 PolarHBondContact O-N 3.34Å; S510-K517 PolarHBondContact O-NZ 3.23Å; S510-K517 VanDerWaalsContact O-NZ 3.12Å
511T91.8Very high91.1Very high111 Ų11177.2 Ų77.268%0.68139%0.385SS*.Hα-helixtrans-78.5-24.7-177.154.10000115.2T507 V508T507-T511 PolarHBondContact O-OG1 2.92Å; T507-T511 VanDerWaalsContact O-OG1 3.06Å; V508-T511 PolarHBondContact O-N 3.18Å; V508-T511 PolarHBondContact O-OG1 2.89Å
512M90.8Very high91.1Very high34 Ų3484.2 Ų84.217%0.16742%0.416CS..SBendtrans-47140.6177.1-98.8-173.6175.600113.7W482 V508 W509 E516 K517W482-M512 HydrophobicContact CZ2-CE 4.1Å; V508-M512 HydrophobicContact CG1-CE 4.46Å; V508-M512 WeakPolarHBondContact O-CB 3.28Å; V508-M512 WeakPolarHBondContact O-CG 3.38Å; V508-M512 PolarHBondContact O-N 3.01Å; W509-M512 HydrophobicContact CE3-SD 4.09Å; W509-M512 HydrophobicContact CZ3-SD 4.4Å; M512-E516 WeakPolarHBondContact CA-OE2 3.31Å; M512-E516 HydrophobicContact CG-CB 4.4Å; M512-E516 HydrophobicContact SD-CB 4.37Å; M512-K517 HydrophobicContact CB-CD 4.31Å; M512-K517 HydrophobicContact CB-CG 4.27Å; M512-K517 WeakPolarHBondContact O-CE 3.48Å; M512-K517 PolarHBondContact O-NZ 3.4Å
513E89.7Confident91.2Very high103 Ų10385.7 Ų85.748%0.48142%0.421SS..  trans-69.9158.8177.4-81.9-170.5-125.100113K515 E516 K517E513-K515 HydrophobicContact CB-CD 4.47Å; E513-K515 HydrophobicContact CB-CG 3.97Å; E513-K515 VanDerWaalsContact CD-CE 3.45Å; E513-K515 PolarHBondContact O-N 3.04Å; E513-K515 WeakPolarHBondContact OE1-CE 3.45Å; E513-K515 IonicContact OE1-NZ 4Å; E513-K515 PolarHBondContact OE1-NZ 3.18Å; E513-K515 VanDerWaalsContact OE2-CD 3.26Å; E513-K515 WeakPolarHBondContact OE2-CD 3.43Å; E513-K515 WeakPolarHBondContact OE2-CE 3.43Å; E513-K515 IonicContact OE2-NZ 2.72Å; E513-K515 PolarHBondContact OE2-NZ 2.74Å; E513-E516 HydrophobicContact CB-CG 4.34Å; E513-E516 PolarHBondContact N-OE2 3.22Å; E513-E516 PolarHBondContact O-N 2.95Å; E513-K517 PolarHBondContact O-N 3.36Å; E513-K517 VanDerWaalsContact O-N 3.08Å
514K85.9Confident91.2Very high185 Ų18579.3 Ų79.380%0.80440%0.396SS*.Hα-helixtrans-56.7-36.2173.8-67.2176-177.1170.10112E516 K517 I518K514-E516 PolarHBondContact O-N 2.97Å; K514-K517 PolarHBondContact O-N 2.87Å; K514-I518 WeakPolarHBondContact O-CG1 3.38Å; K514-I518 PolarHBondContact O-N 2.84Å
515K89.1Confident91.1Very high135 Ų13580.9 Ų80.959%0.58741%0.409SS*.Hα-helixtrans-62.4-40.6179.172.7-166.3179.4-145.60112.4E513E513-K515 HydrophobicContact CB-CD 4.47Å; E513-K515 HydrophobicContact CB-CG 3.97Å; E513-K515 VanDerWaalsContact CD-CE 3.45Å; E513-K515 PolarHBondContact O-N 3.04Å; E513-K515 WeakPolarHBondContact OE1-CE 3.45Å; E513-K515 IonicContact OE1-NZ 4Å; E513-K515 PolarHBondContact OE1-NZ 3.18Å; E513-K515 VanDerWaalsContact OE2-CD 3.26Å; E513-K515 WeakPolarHBondContact OE2-CD 3.43Å; E513-K515 WeakPolarHBondContact OE2-CE 3.43Å; E513-K515 IonicContact OE2-NZ 2.72Å; E513-K515 PolarHBondContact OE2-NZ 2.74Å
516E89.1Confident91Very high82 Ų8287.1 Ų87.138%0.38344%0.438SS..Hα-helixtrans-73.2-40179.4-56.5173.8116.700110.8M512 E513 K514 I518 M519 W520M512-E516 WeakPolarHBondContact CA-OE2 3.31Å; M512-E516 HydrophobicContact CG-CB 4.4Å; M512-E516 HydrophobicContact SD-CB 4.37Å; E513-E516 HydrophobicContact CB-CG 4.34Å; E513-E516 PolarHBondContact N-OE2 3.22Å; E513-E516 PolarHBondContact O-N 2.95Å; K514-E516 PolarHBondContact O-N 2.97Å; E516-I518 PolarHBondContact O-N 3.15Å; E516-M519 WeakPolarHBondContact O-CG 3.34Å; E516-W520 VanDerWaalsContact O-CD1 3.32Å
517K92.3Very high90.9Very high39 Ų3983.3 Ų83.317%0.1742%0.421CS..Hα-helixtrans-63.2-24.5177.1-75.2163171156.20113.5W509 S510 M512 E513 K514 M519 W520 I521W509-K517 HydrophobicContact CH2-CB 4.41Å; W509-K517 HydrophobicContact CH2-CG 3.88Å; W509-K517 HydrophobicContact CZ2-CG 4.22Å; W509-K517 HydrophobicContact CZ3-CG 4.07Å; W509-K517 WeakPolarHBondContact O-CE 3.43Å; W509-K517 PolarHBondContact O-NZ 3.01Å; S510-K517 PolarHBondContact O-NZ 3.23Å; S510-K517 VanDerWaalsContact O-NZ 3.12Å; M512-K517 HydrophobicContact CB-CD 4.31Å; M512-K517 HydrophobicContact CB-CG 4.27Å; M512-K517 WeakPolarHBondContact O-CE 3.48Å; M512-K517 PolarHBondContact O-NZ 3.4Å; E513-K517 PolarHBondContact O-N 3.36Å; E513-K517 VanDerWaalsContact O-N 3.08Å; K514-K517 PolarHBondContact O-N 2.87Å; K517-M519 PolarHBondContact O-N 3.02Å; K517-W520 PolarHBondContact O-N 2.85Å; K517-I521 HydrophobicContact CB-CD1 4.13Å; K517-I521 WeakPolarHBondContact O-CD1 3.45Å; K517-I521 VanDerWaalsContact O-CG1 3.25Å; K517-I521 WeakPolarHBondContact O-CG1 3.29Å; K517-I521 PolarHBondContact O-N 2.78Å
518I90.6Very high90.6Very high87 Ų8782.8 Ų82.845%0.44641%0.413SS..Hα-helixtrans-59.3-40.1-178.5-77.4165000113K514 E516 W520 I521 K522K514-I518 WeakPolarHBondContact O-CG1 3.38Å; K514-I518 PolarHBondContact O-N 2.84Å; E516-I518 PolarHBondContact O-N 3.15Å; I518-W520 VanDerWaalsContact C-N 3.33Å; I518-W520 PolarHBondContact O-N 3.06Å; I518-I521 PolarHBondContact O-N 3.47Å; I518-K522 HydrophobicContact CG2-CD 4.24Å; I518-K522 WeakPolarHBondContact O-CG 3.34Å; I518-K522 PolarHBondContact O-N 2.77Å
519M91.8Very high90.5Very high113 Ų11387 Ų8756%0.55743%0.427SS*.Hα-helixtrans-66-38.4-179.968.9-178.1-75.100111.8E516 K517 K522 K523E516-M519 WeakPolarHBondContact O-CG 3.34Å; K517-M519 PolarHBondContact O-N 3.02Å; M519-K522 PolarHBondContact O-N 3.38Å; M519-K523 PolarHBondContact O-N 3.04Å
520W94.3Very high90.5Very high28 Ų2888.8 Ų88.811%0.10643%0.434CS..Hα-helixtrans-74.6-34.8179.6-54.3111.2000112.1A478 I481 W482 S485 W509 E516 K517 I518 K523 A524A478-W520 HydrophobicContact CB-CB 4.02Å; A478-W520 WeakPolarHBondContact CB-O 3.45Å; I481-W520 HydrophobicContact CG2-CE3 3.97Å; I481-W520 HydrophobicContact CG2-CZ3 4.18Å; W482-W520 HydrophobicContact CB-CB 4.43Å; W482-W520 HydrophobicContact CB-CD2 3.65Å; W482-W520 HydrophobicContact CB-CE3 3.94Å; W482-W520 HydrophobicContact CB-CG 3.83Å; W482-W520 AromaticContact CD1-CE2 3.49Å; W482-W520 VanDerWaalsContact CD1-CE2 3.49Å; W482-W520 AromaticContact CD1-CZ2 3.66Å; W482-W520 AromaticContact CD1-NE1 3.57Å; W482-W520 HydrophobicContact CG-CD2 4.26Å; W482-W520 HydrophobicContact CG-CG 4.48Å; S485-W520 WeakPolarHBondContact OG-CH2 3.36Å; W509-W520 HydrophobicContact CH2-CB 3.97Å; W509-W520 HydrophobicContact CZ3-CB 4.06Å; W509-W520 AromaticContact CZ3-CD1 3.98Å; W509-W520 HydrophobicContact CZ3-CG 4.14Å; E516-W520 VanDerWaalsContact O-CD1 3.32Å; K517-W520 PolarHBondContact O-N 2.85Å; I518-W520 VanDerWaalsContact C-N 3.33Å; I518-W520 PolarHBondContact O-N 3.06Å; W520-K523 PolarHBondContact O-N 2.62Å; W520-A524 WeakPolarHBondContact O-CB 3.22Å; W520-A524 PolarHBondContact O-N 3.37Å
521I90.3Very high90.3Very high97 Ų9787.8 Ų87.850%0.49742%0.418SS..Hα-helixtrans-65-41.9171.2-68.1163.9000110.9A478 K517 I518 A524 A525A478-I521 HydrophobicContact CB-CG1 3.89Å; K517-I521 HydrophobicContact CB-CD1 4.13Å; K517-I521 WeakPolarHBondContact O-CD1 3.45Å; K517-I521 VanDerWaalsContact O-CG1 3.25Å; K517-I521 WeakPolarHBondContact O-CG1 3.29Å; K517-I521 PolarHBondContact O-N 2.78Å; I518-I521 PolarHBondContact O-N 3.47Å; I521-A524 PolarHBondContact O-N 3.26Å; I521-A525 WeakPolarHBondContact O-CB 3.15Å; I521-A525 PolarHBondContact O-N 3.24Å
522K92.4Very high89.8Confident148 Ų14887.6 Ų87.664%0.64341%0.41SS*.Hα-helixtrans-60.1-45.9172.7-75.5176.1178.3-179.10111.4I518 M519 A525 E526I518-K522 HydrophobicContact CG2-CD 4.24Å; I518-K522 WeakPolarHBondContact O-CG 3.34Å; I518-K522 PolarHBondContact O-N 2.77Å; M519-K522 PolarHBondContact O-N 3.38Å; K522-A525 PolarHBondContact O-N 3.04Å; K522-E526 PolarHBondContact O-N 3.45Å; K522-E526 VanDerWaalsContact O-N 3.07Å
523K92Very high89.4Confident115 Ų11592.6 Ų92.650%0.543%0.427SS..Hα-helixtrans-68.1-33.2-179.7-157164.1-177.51730113I481 M519 W520 E526 D527I481-K523 HydrophobicContact CG2-CB 4.26Å; I481-K523 HydrophobicContact CG2-CD 3.81Å; I481-K523 HydrophobicContact CG2-CG 3.95Å; M519-K523 PolarHBondContact O-N 3.04Å; W520-K523 PolarHBondContact O-N 2.62Å; K523-E526 WeakPolarHBondContact O-CB 3.36Å; K523-E526 PolarHBondContact O-N 3.1Å; K523-D527 PolarHBondContact O-N 3.1Å
524A92.2Very high88.8Confident15 Ų1589.2 Ų89.212%0.12441%0.412CS..Hα-helixtrans-69.7-36.8170.900000112.9A478 I481 W520 I521 E526 D527 Q528A478-A524 HydrophobicContact CB-CB 4.1Å; I481-A524 HydrophobicContact CD1-CB 3.96Å; W520-A524 WeakPolarHBondContact O-CB 3.22Å; W520-A524 PolarHBondContact O-N 3.37Å; I521-A524 PolarHBondContact O-N 3.26Å; A524-E526 PolarHBondContact O-N 3.04Å; A524-D527 PolarHBondContact O-N 3.31Å; A524-Q528 VanDerWaalsContact O-CB 3.29Å; A524-Q528 WeakPolarHBondContact O-CB 3.45Å; A524-Q528 PolarHBondContact O-N 3.02Å
525A89.9Confident88.3Confident53 Ų5383.4 Ų83.444%0.43839%0.389SS..Hα-helixtrans-68.5-1817200000113.1I521 K522 K529I521-A525 WeakPolarHBondContact O-CB 3.15Å; I521-A525 PolarHBondContact O-N 3.24Å; K522-A525 PolarHBondContact O-N 3.04Å; A525-K529 WeakPolarHBondContact O-CD 3.43Å; A525-K529 VanDerWaalsContact O-CG 3.32Å; A525-K529 WeakPolarHBondContact O-CG 3.43Å
526E90.8Very high87.6Confident131 Ų13180.9 Ų80.961%0.61239%0.388SS*.Hα-helixtrans-86.5-41.2172.1-172.4158.9-123.700112K522 K523 A524 Q528 K529 R530K522-E526 PolarHBondContact O-N 3.45Å; K522-E526 VanDerWaalsContact O-N 3.07Å; K523-E526 WeakPolarHBondContact O-CB 3.36Å; K523-E526 PolarHBondContact O-N 3.1Å; A524-E526 PolarHBondContact O-N 3.04Å; E526-Q528 VanDerWaalsContact C-N 3.34Å; E526-Q528 PolarHBondContact O-N 2.9Å; E526-K529 CarbonylContact O-C 3.59Å; E526-K529 WeakPolarHBondContact O-CB 3.32Å; E526-K529 PolarHBondContact O-N 3.04Å; E526-K529 VanDerWaalsContact O-N 3.15Å; E526-R530 PolarHBondContact O-N 3.32Å
527D89Confident86.7Confident29 Ų2982.1 Ų82.116%0.15539%0.393CS..Hα-helixtrans-65.8-35.1173.1-163.652000112.2K476 I481 K523 A524 K529 R530 Y531K476-D527 WeakPolarHBondContact CB-OD2 3.45Å; K476-D527 PolarHBondContact N-OD2 3.02Å; I481-D527 HydrophobicContact CD1-CB 3.96Å; K523-D527 PolarHBondContact O-N 3.1Å; A524-D527 PolarHBondContact O-N 3.31Å; D527-K529 PolarHBondContact O-N 3.42Å; D527-R530 WeakPolarHBondContact O-CB 3.47Å; D527-R530 PolarHBondContact O-N 3.21Å; D527-R530 VanDerWaalsContact O-N 3.15Å; D527-Y531 PolarHBondContact O-N 2.8Å
528Q86.9Confident85.3Confident69 Ų6985.8 Ų85.832%0.32241%0.413SS..Hα-helixtrans-58.5-44168.6179.865.243.800112P475 A524 E526 R530 Y531 E532P475-Q528 HydrophobicContact CB-CB 4.46Å; P475-Q528 VanDerWaalsContact CG-OE1 3.24Å; A524-Q528 VanDerWaalsContact O-CB 3.29Å; A524-Q528 WeakPolarHBondContact O-CB 3.45Å; A524-Q528 PolarHBondContact O-N 3.02Å; E526-Q528 VanDerWaalsContact C-N 3.34Å; E526-Q528 PolarHBondContact O-N 2.9Å; Q528-R530 VanDerWaalsContact C-N 3.32Å; Q528-Y531 PolarHBondContact O-N 2.72Å; Q528-E532 PolarHBondContact NE2-OE1 3Å; Q528-E532 WeakPolarHBondContact O-CB 3.4Å; Q528-E532 VanDerWaalsContact O-CG 3.31Å; Q528-E532 WeakPolarHBondContact O-CG 3.21Å; Q528-E532 PolarHBondContact O-N 3.26Å
529K89.7Confident83.9Confident137 Ų13792.1 Ų92.160%0.59643%0.431SS*.Hα-helixtrans-68.7-30.6174.8-72.1169.7-176.4175.60112.5A525 E526 D527 R533A525-K529 WeakPolarHBondContact O-CD 3.43Å; A525-K529 VanDerWaalsContact O-CG 3.32Å; A525-K529 WeakPolarHBondContact O-CG 3.43Å; E526-K529 CarbonylContact O-C 3.59Å; E526-K529 WeakPolarHBondContact O-CB 3.32Å; E526-K529 PolarHBondContact O-N 3.04Å; E526-K529 VanDerWaalsContact O-N 3.15Å; D527-K529 PolarHBondContact O-N 3.42Å; K529-R533 WeakPolarHBondContact O-CB 3.24Å; K529-R533 PolarHBondContact O-N 2.85Å
530R91.5Very high81.6Confident71 Ų7189.8 Ų89.827%0.26843%0.426SS..Hα-helixtrans-65.1-53172.6171.4-102158.3157.4-4.4109.9D473 E526 D527 Q528 E532 R533 D534D473-R530 IonicContact OD2-NH1 3.84Å; E526-R530 PolarHBondContact O-N 3.32Å; D527-R530 WeakPolarHBondContact O-CB 3.47Å; D527-R530 PolarHBondContact O-N 3.21Å; D527-R530 VanDerWaalsContact O-N 3.15Å; Q528-R530 VanDerWaalsContact C-N 3.32Å; R530-E532 VanDerWaalsContact C-N 3.31Å; R530-E532 PolarHBondContact O-N 2.86Å; R530-R533 WeakPolarHBondContact O-CB 3.31Å; R530-R533 PolarHBondContact O-N 3.39Å; R530-D534 IonicContact CZ-OD2 2.73Å; R530-D534 VanDerWaalsContact CZ-OD2 3.23Å; R530-D534 IonicContact NE-OD1 2.72Å; R530-D534 IonicContact NE-OD2 3.39Å; R530-D534 PolarHBondContact NE-OD2 2.98Å; R530-D534 IonicContact NH2-OD2 3.24Å; R530-D534 PolarHBondContact NH2-OD2 3.4Å; R530-D534 VanDerWaalsContact O-CG 3.23Å; R530-D534 PolarHBondContact O-N 3.46Å
531Y86.2Confident79Confident61 Ų6194.2 Ų94.224%0.23946%0.458CS..Hα-helixtrans-56.9-41.6174.5-179.9-113.4000113.4P472 D473 P475 D527 Q528 R533 L535P472-Y531 HydrophobicContact CB-CD2 4.18Å; P472-Y531 HydrophobicContact CB-CE2 4.37Å; D473-Y531 WeakPolarHBondContact O-CD2 3.2Å; P475-Y531 HydrophobicContact CB-CD1 4.38Å; P475-Y531 HydrophobicContact CB-CG 4.22Å; P475-Y531 VanDerWaalsContact CD-CD1 3.5Å; P475-Y531 HydrophobicContact CG-CD1 3.69Å; P475-Y531 HydrophobicContact CG-CE1 4.24Å; P475-Y531 HydrophobicContact CG-CG 3.96Å; D527-Y531 PolarHBondContact O-N 2.8Å; Q528-Y531 PolarHBondContact O-N 2.72Å; Y531-R533 VanDerWaalsContact C-N 3.35Å; Y531-R533 PolarHBondContact O-N 3.03Å; Y531-L535 HydrophobicContact CD1-CD1 3.88Å; Y531-L535 HydrophobicContact CD1-CG 4.49Å; Y531-L535 HydrophobicContact CD2-CD1 4.42Å; Y531-L535 HydrophobicContact CD2-CG 4.25Å; Y531-L535 HydrophobicContact CE1-CD1 3.36Å; Y531-L535 HydrophobicContact CE1-CG 4.21Å; Y531-L535 HydrophobicContact CE2-CD1 3.97Å; Y531-L535 HydrophobicContact CE2-CD2 4.34Å; Y531-L535 HydrophobicContact CE2-CG 3.95Å; Y531-L535 HydrophobicContact CG-CD1 4.41Å; Y531-L535 VanDerWaalsContact CZ-CD1 3.43Å; Y531-L535 VanDerWaalsContact O-CB 3.28Å; Y531-L535 WeakPolarHBondContact O-CB 3.37Å; Y531-L535 WeakPolarHBondContact O-CG 3.45Å; Y531-L535 PolarHBondContact O-N 3.31Å
532E81Confident76.5Confident108 Ų10894.3 Ų94.351%0.50547%0.474SS..Hα-helixtrans-65.4-34.1175.9-75.4169.7-170.400113.2Q528 R530 C536Q528-E532 PolarHBondContact NE2-OE1 3Å; Q528-E532 WeakPolarHBondContact O-CB 3.4Å; Q528-E532 VanDerWaalsContact O-CG 3.31Å; Q528-E532 WeakPolarHBondContact O-CG 3.21Å; Q528-E532 PolarHBondContact O-N 3.26Å; R530-E532 VanDerWaalsContact C-N 3.31Å; R530-E532 PolarHBondContact O-N 2.86Å; E532-C536 VanDerWaalsContact O-CB 3.32Å; E532-C536 WeakPolarHBondContact O-CB 3.34Å; E532-C536 PolarHBondContact O-N 3.04Å
533R82.1Confident73.5Confident139 Ų13994.9 Ų94.953%0.52548%0.484SS..Hα-helixtrans-68.8-55.7172.8-172.7-159.7-49.8106.9-0.2110.8K529 R530 Y531 L535 C536 E537K529-R533 WeakPolarHBondContact O-CB 3.24Å; K529-R533 PolarHBondContact O-N 2.85Å; R530-R533 WeakPolarHBondContact O-CB 3.31Å; R530-R533 PolarHBondContact O-N 3.39Å; Y531-R533 VanDerWaalsContact C-N 3.35Å; Y531-R533 PolarHBondContact O-N 3.03Å; R533-L535 PolarHBondContact O-N 3.49Å; R533-C536 WeakPolarHBondContact O-CA 3.45Å; R533-C536 WeakPolarHBondContact O-CB 3.44Å; R533-C536 PolarHBondContact O-N 2.96Å; R533-E537 PolarHBondContact O-N 3.41Å
534D78.7Confident70.6Confident32 Ų3293.8 Ų93.817%0.17150%0.496CS..Hα-helixtrans-59.4-37.4-176.6-60.518.6000110.5P472 R530 M538P472-D534 HydrophobicContact CB-CB 3.74Å; P472-D534 HydrophobicContact CG-CB 3.69Å; R530-D534 IonicContact CZ-OD2 2.73Å; R530-D534 VanDerWaalsContact CZ-OD2 3.23Å; R530-D534 IonicContact NE-OD1 2.72Å; R530-D534 IonicContact NE-OD2 3.39Å; R530-D534 PolarHBondContact NE-OD2 2.98Å; R530-D534 IonicContact NH2-OD2 3.24Å; R530-D534 PolarHBondContact NH2-OD2 3.4Å; R530-D534 VanDerWaalsContact O-CG 3.23Å; R530-D534 PolarHBondContact O-N 3.46Å; D534-M538 WeakPolarHBondContact O-CB 3.21Å; D534-M538 VanDerWaalsContact O-CG 3.29Å; D534-M538 WeakPolarHBondContact O-CG 3.47Å; D534-M538 PolarHBondContact O-N 3.39Å
535L73.8Confident67.9Low63 Ų6398.4 Ų98.433%0.3352%0.522SS..Hα-helixtrans-68-35.8171.3-81.4-176.9000113.9P472 Y531 R533 E537 R539P472-L535 HydrophobicContact CG-CD2 4.24Å; Y531-L535 HydrophobicContact CD1-CD1 3.88Å; Y531-L535 HydrophobicContact CD1-CG 4.49Å; Y531-L535 HydrophobicContact CD2-CD1 4.42Å; Y531-L535 HydrophobicContact CD2-CG 4.25Å; Y531-L535 HydrophobicContact CE1-CD1 3.36Å; Y531-L535 HydrophobicContact CE1-CG 4.21Å; Y531-L535 HydrophobicContact CE2-CD1 3.97Å; Y531-L535 HydrophobicContact CE2-CD2 4.34Å; Y531-L535 HydrophobicContact CE2-CG 3.95Å; Y531-L535 HydrophobicContact CG-CD1 4.41Å; Y531-L535 VanDerWaalsContact CZ-CD1 3.43Å; Y531-L535 VanDerWaalsContact O-CB 3.28Å; Y531-L535 WeakPolarHBondContact O-CB 3.37Å; Y531-L535 WeakPolarHBondContact O-CG 3.45Å; Y531-L535 PolarHBondContact O-N 3.31Å; R533-L535 PolarHBondContact O-N 3.49Å; L535-E537 VanDerWaalsContact C-N 3.35Å; L535-R539 WeakPolarHBondContact O-CB 3.41Å; L535-R539 PolarHBondContact O-N 3.2Å
536C75.1Confident64.9Low82 Ų82100.2 Ų100.255%0.55453%0.528SS*.Hα-helixtrans-69.8-37.7178.3-165.70000111.2E532 R533 S540E532-C536 VanDerWaalsContact O-CB 3.32Å; E532-C536 WeakPolarHBondContact O-CB 3.34Å; E532-C536 PolarHBondContact O-N 3.04Å; R533-C536 WeakPolarHBondContact O-CA 3.45Å; R533-C536 WeakPolarHBondContact O-CB 3.44Å; R533-C536 PolarHBondContact O-N 2.96Å; C536-S540 PolarHBondContact O-N 3.11Å; C536-S540 PolarHBondContact O-OG 3.08Å
537E70.5Confident62Low108 Ų10898.5 Ų98.551%0.50553%0.53SS..Hα-helixtrans-65.1-52.6174-165.7156.6-160.500110.5R533 L535 R539 S540R533-E537 PolarHBondContact O-N 3.41Å; L535-E537 VanDerWaalsContact C-N 3.35Å; E537-R539 VanDerWaalsContact C-N 3.27Å; E537-R539 PolarHBondContact O-N 3.35Å; E537-S540 PolarHBondContact O-N 2.97Å
538M62.8Low59.5Low116 Ų116106 Ų10657%0.57157%0.57SS**Hα-helixtrans-66.5-20.9176.5-68.5-58.1-70.500114.7R470 P472 D534 S540R470-M538 VanDerWaalsContact O-CE 3.23Å; R470-M538 WeakPolarHBondContact O-CE 3.36Å; P472-M538 HydrophobicContact CG-CG 4.04Å; D534-M538 WeakPolarHBondContact O-CB 3.21Å; D534-M538 VanDerWaalsContact O-CG 3.29Å; D534-M538 WeakPolarHBondContact O-CG 3.47Å; D534-M538 PolarHBondContact O-N 3.39Å; M538-S540 VanDerWaalsContact C-N 3.28Å
539R62Low57.1Low219 Ų219108.6 Ų108.683%0.82658%0.58SS**THydrogen-bonded Turntrans-78.6-13.2173.4-175.8169.4-178.1-1790.4113L535 E537L535-R539 WeakPolarHBondContact O-CB 3.41Å; L535-R539 PolarHBondContact O-N 3.2Å; E537-R539 VanDerWaalsContact C-N 3.27Å; E537-R539 PolarHBondContact O-N 3.35Å
540S41.6Very low54.9Low64 Ų64108.6 Ų108.645%0.44858%0.58SS.*SBendtrans-102.2111.3-178-55.80000109.3C536 E537 M538 A542C536-S540 PolarHBondContact O-N 3.11Å; C536-S540 PolarHBondContact O-OG 3.08Å; E537-S540 PolarHBondContact O-N 2.97Å; M538-S540 VanDerWaalsContact C-N 3.28Å; S540-A542 PolarHBondContact O-N 2.84Å
541P41.2Very low53Low121 Ų121109.5 Ų109.579%0.78659%0.588SS**  trans-59.7137.5170.926.9-33.6000108.9N543P541-N543 PolarHBondContact O-N 2.95Å
542A36.3Very low51.2Low100 Ų100115.1 Ų115.183%0.82661%0.614SS**SBendtrans-66.398.6-16200000113.5S540S540-A542 PolarHBondContact O-N 2.84Å
543N29.8Very low50.7Low160 Ų160111.4 Ų111.486%0.85660%0.596SS**SBendtrans-155.6141.6133.2-103.2-31.8000111.6P541P541-N543 PolarHBondContact O-N 2.95Å
544A31.2Very low49.9Very low92 Ų92113.6 Ų113.676%0.7661%0.612SS**  trans53.972.6173.200000117.2T546A544-T546 PolarHBondContact O-N 2.8Å
545V35.1Very low49.5Very low111 Ų111114.9 Ų114.967%0.67363%0.633SS**  trans-61.7104.4146.1175.30000108.1
546T26.8Very low49.9Very low91 Ų91114.4 Ų114.456%0.55863%0.629SS**  trans-120.7155.5137.271.70000108.9A544A544-T546 PolarHBondContact O-N 2.8Å
547S31Very low50.1Low95 Ų95111.8 Ų111.866%0.66461%0.611SS**  trans-58.9-176.2178.5-35.40000111.7K549S547-K549 PolarHBondContact O-N 3.35Å
548L35.6Very low50.5Low187 Ų187116.1 Ų116.198%0.97963%0.628SS**SBendtrans-67.542.1164.1-149.681000113.2
549K37.8Very low51.4Low124 Ų124117.6 Ų117.654%0.53963%0.632SS.*  trans-51.4151.7159.6-74.7177.3-179165.60108S547 M551S547-K549 PolarHBondContact O-N 3.35Å; K549-M551 PolarHBondContact O-N 2.94Å
550K42.8Very low52.4Low137 Ų137108.7 Ų108.760%0.59660%0.602SS**  trans-46.9133.1159.2-54.7171.9-175.8178.60107.4K552K550-K552 VanDerWaalsContact C-N 3.35Å; K550-K552 PolarHBondContact O-N 3.44Å
551M50.9Low54.5Low89 Ų89106.5 Ų106.544%0.43859%0.586SS.*  trans-58.6106.5167.4-167.8146.584.200105.6K549 F553 Y638K549-M551 PolarHBondContact O-N 2.94Å; M551-F553 HydrophobicContact CB-CE2 4Å; M551-F553 HydrophobicContact CB-CZ 4.43Å; M551-F553 HydrophobicContact CE-CE1 3.98Å; M551-F553 HydrophobicContact CE-CE2 4.22Å; M551-F553 HydrophobicContact CE-CZ 3.46Å; M551-F553 VanDerWaalsContact CE-CZ 3.46Å; M551-F553 HydrophobicContact CG-CE2 4.15Å; M551-F553 HydrophobicContact CG-CZ 4.21Å; M551-F553 WeakPolarHBondContact O-CD2 3.41Å; M551-F553 WeakPolarHBondContact O-CE2 3.33Å; M551-F553 PolarHBondContact O-N 3.11Å; M551-F553 VanDerWaalsContact O-N 3.15Å; M551-Y638 HydrophobicContact CB-CD1 4.22Å; M551-Y638 HydrophobicContact CB-CD2 4.07Å; M551-Y638 HydrophobicContact CB-CE1 3.81Å; M551-Y638 HydrophobicContact CB-CE2 3.66Å; M551-Y638 HydrophobicContact CB-CG 4.34Å; M551-Y638 HydrophobicContact CE-CD2 3.77Å; M551-Y638 HydrophobicContact CE-CE2 4.5Å; M551-Y638 HydrophobicContact CE-CG 3.86Å; M551-Y638 PolarHBondContact N-OH 2.81Å; M551-Y638 HydrophobicContact SD-CD2 4.34Å
552K50.3Low56.4Low179 Ų179103.8 Ų103.878%0.77857%0.57SS**  trans-83.292.8-174.9-82.4-168.2171.3-165.70106.8K550K550-K552 VanDerWaalsContact C-N 3.35Å; K550-K552 PolarHBondContact O-N 3.44Å
553F69.1Low58.9Low30 Ų30103.5 Ų103.513%0.13256%0.555CS.*  trans-66.4135.6166-55.5-99000107.7M551 E556 W623 Y635 Y638M551-F553 HydrophobicContact CB-CE2 4Å; M551-F553 HydrophobicContact CB-CZ 4.43Å; M551-F553 HydrophobicContact CE-CE1 3.98Å; M551-F553 HydrophobicContact CE-CE2 4.22Å; M551-F553 HydrophobicContact CE-CZ 3.46Å; M551-F553 VanDerWaalsContact CE-CZ 3.46Å; M551-F553 HydrophobicContact CG-CE2 4.15Å; M551-F553 HydrophobicContact CG-CZ 4.21Å; M551-F553 WeakPolarHBondContact O-CD2 3.41Å; M551-F553 WeakPolarHBondContact O-CE2 3.33Å; M551-F553 PolarHBondContact O-N 3.11Å; M551-F553 VanDerWaalsContact O-N 3.15Å; F553-E556 HydrophobicContact CB-CB 4.39Å; F553-E556 WeakPolarHBondContact O-CB 3.44Å; F553-E556 PolarHBondContact O-N 3.46Å; F553-E556 VanDerWaalsContact O-N 3.14Å; F553-W623 HydrophobicContact CB-CH2 3.4Å; F553-W623 HydrophobicContact CB-CZ2 3.36Å; F553-W623 AromaticContact CG-CH2 3.97Å; F553-W623 HydrophobicContact CG-CH2 3.97Å; F553-W623 HydrophobicContact CG-CZ2 4.37Å; F553-Y635 AromaticContact CD1-CD2 3.95Å; F553-Y635 HydrophobicContact CD1-CD2 3.95Å; F553-Y635 AromaticContact CD2-CD2 3.44Å; F553-Y635 HydrophobicContact CD2-CD2 3.44Å; F553-Y635 VanDerWaalsContact CD2-CD2 3.44Å; F553-Y635 AromaticContact CD2-CE2 3.63Å; F553-Y635 HydrophobicContact CD2-CE2 3.63Å; F553-Y635 AromaticContact CE1-CD2 3.91Å; F553-Y635 HydrophobicContact CE1-CD2 3.91Å; F553-Y635 HydrophobicContact CE1-CG 4.49Å; F553-Y635 AromaticContact CE2-CD2 3.41Å; F553-Y635 HydrophobicContact CE2-CD2 3.41Å; F553-Y635 VanDerWaalsContact CE2-CD2 3.41Å; F553-Y635 AromaticContact CE2-CE2 3.8Å; F553-Y635 HydrophobicContact CE2-CE2 3.8Å; F553-Y635 HydrophobicContact CE2-CG 4.42Å; F553-Y635 AromaticContact CG-CD2 3.73Å; F553-Y635 HydrophobicContact CG-CD2 3.73Å; F553-Y635 HydrophobicContact CG-CE2 4.21Å; F553-Y635 AromaticContact CZ-CD2 3.65Å; F553-Y635 HydrophobicContact CZ-CD2 3.65Å; F553-Y635 HydrophobicContact CZ-CE2 4.47Å; F553-Y635 HydrophobicContact CZ-CG 4.31Å; F553-Y638 AromaticContact CE2-CD1 3.78Å; F553-Y638 HydrophobicContact CE2-CD1 3.78Å; F553-Y638 HydrophobicContact CE2-CE1 4.32Å; F553-Y638 HydrophobicContact CE2-CG 4.32Å; F553-Y638 HydrophobicContact CZ-CD1 4.15Å; F553-Y638 HydrophobicContact CZ-CG 4.25Å
554E65.4Low61.6Low185 Ų18596 Ų9686%0.86451%0.514SS*.THydrogen-bonded Turntrans-70.4135.6-171.8-165.3135.2-139.300110.3E556 W623E554-E556 VanDerWaalsContact C-N 3.28Å; E554-E556 PolarHBondContact O-N 3.49Å; E554-W623 PolarHBondContact O-NE1 3.26Å
555G70.5Confident64.5Low59 Ų5995 Ų9561%0.60849%0.492SS*.THydrogen-bonded Turntrans75.6-3.5-170.400000116.6P557 W623G555-P557 VanDerWaalsContact O-CD 3.3Å; G555-P557 WeakPolarHBondContact O-CD 3.43Å; G555-P557 VanDerWaalsContact O-N 3.14Å; G555-W623 VanDerWaalsContact C-NE1 3.31Å
556E81.4Confident67Low54 Ų5493.8 Ų93.825%0.25248%0.479SS..PPolyproline II helixtrans-53.2120.8-177.7-172.4-172.3-155.500111.1F553 E554 W623 Y635F553-E556 HydrophobicContact CB-CB 4.39Å; F553-E556 WeakPolarHBondContact O-CB 3.44Å; F553-E556 PolarHBondContact O-N 3.46Å; F553-E556 VanDerWaalsContact O-N 3.14Å; E554-E556 VanDerWaalsContact C-N 3.28Å; E554-E556 PolarHBondContact O-N 3.49Å; E556-W623 HydrophobicContact CB-CH2 3.97Å; E556-W623 HydrophobicContact CB-CZ2 3.84Å; E556-W623 HydrophobicContact CB-CZ3 4.46Å; E556-W623 HydrophobicContact CG-CH2 4.06Å; E556-W623 HydrophobicContact CG-CZ2 4.41Å; E556-W623 HydrophobicContact CG-CZ3 4.15Å; E556-Y635 HydrophobicContact CG-CE2 4.48Å; E556-Y635 WeakPolarHBondContact OE1-CE2 3.22Å; E556-Y635 PolarHBondContact OE1-OH 2.65Å
557P80.4Confident70.2Confident26 Ų2691 Ų9117%0.16946%0.459CS..PPolyproline II helixtrans-56.8144.2178.8-28.737.1000112.5G555 Y616 L619 W623G555-P557 VanDerWaalsContact O-CD 3.3Å; G555-P557 WeakPolarHBondContact O-CD 3.43Å; G555-P557 VanDerWaalsContact O-N 3.14Å; P557-Y616 HydrophobicContact CB-CD2 4Å; P557-Y616 HydrophobicContact CB-CE2 3.71Å; P557-Y616 WeakPolarHBondContact O-CE2 3.4Å; P557-L619 HydrophobicContact CB-CB 4.27Å; P557-L619 HydrophobicContact CG-CB 4.05Å; P557-W623 HydrophobicContact CG-CB 4.19Å
558K78.6Confident73Confident199 Ų19987 Ų8787%0.86543%0.43SS*.PPolyproline II helixtrans-78.8124.9178.4-66.9174.4-173.7165.40109.9Y616K558-Y616 WeakPolarHBondContact O-CD2 3.41Å
559K81.4Confident75.5Confident148 Ų14878.8 Ų78.864%0.64339%0.387SS*.PPolyproline II helixtrans-57127.3175.3-67.9-161.7175.4-139.40111.1Y616K559-Y616 HydrophobicContact CB-CE2 4.48Å; K559-Y616 WeakPolarHBondContact CE-OH 3.4Å; K559-Y616 HydrophobicContact CG-CE1 4.06Å; K559-Y616 HydrophobicContact CG-CE2 3.99Å; K559-Y616 WeakPolarHBondContact CG-OH 3.1Å
560P84.4Confident78Confident31 Ų3177.8 Ų77.820%0.20139%0.385CS..  trans-74.3174.5175.335.1-39.6000111S562 K612 Q613 Y616P560-S562 PolarHBondContact O-N 2.88Å; P560-K612 HydrophobicContact CB-CB 3.92Å; P560-K612 WeakPolarHBondContact CG-O 3.39Å; P560-Q613 HydrophobicContact CG-CG 3.76Å; P560-Y616 HydrophobicContact CG-CG 4.1Å
561P84.8Confident80.2Confident18 Ų1873.8 Ų73.812%0.11737%0.368CS..  trans-51.7131.8163.6-26.536.4000111.8Q566 K567P561-Q566 HydrophobicContact CB-CB 3.69Å; P561-K567 HydrophobicContact CB-CB 4.01Å; P561-K567 HydrophobicContact CG-CB 4.23Å; P561-K567 HydrophobicContact CG-CD 4.19Å
562S80.4Confident81.9Confident64 Ų6470.5 Ų70.545%0.44835%0.352SS..SBendtrans-91.81.4-175.178.20000115P560 Q566 Q613P560-S562 PolarHBondContact O-N 2.88Å; S562-Q566 PolarHBondContact OG-NE2 3.32Å; S562-Q566 PolarHBondContact OG-OE1 3.17Å; S562-Q613 PolarHBondContact O-NE2 2.95Å
563N89.3Confident83.6Confident95 Ų9564.6 Ų64.651%0.50833%0.329SS..SBendtrans-163.2158.6178.1-165.8-26.5000108.7Y565 Q566 K567 A609N563-Y565 VanDerWaalsContact C-N 3.29Å; N563-Y565 PolarHBondContact O-N 3.23Å; N563-Q566 WeakPolarHBondContact O-CA 3.46Å; N563-Q566 WeakPolarHBondContact O-CB 3.34Å; N563-Q566 PolarHBondContact O-N 3.5Å; N563-K567 PolarHBondContact O-N 2.97Å; N563-A609 VanDerWaalsContact C-CB 3.5Å
564G87.5Confident84.3Confident1 Ų167.2 Ų67.21%0.0135%0.351CS..Hα-helixtrans-53.7-39.5179.700000114Q566 K567 F568 Y605G564-Q566 VanDerWaalsContact C-N 3.28Å; G564-Q566 PolarHBondContact O-N 3.36Å; G564-K567 PolarHBondContact O-N 3.48Å; G564-F568 WeakPolarHBondContact O-CB 3.03Å; G564-F568 PolarHBondContact O-N 3.3Å; G564-Y605 VanDerWaalsContact CA-C 3.5Å; G564-Y605 VanDerWaalsContact CA-O 3.27Å; G564-Y605 WeakPolarHBondContact CA-O 3.25Å
565Y90.4Very high85.1Confident71 Ų7163.2 Ų63.228%0.27834%0.335SS..Hα-helixtrans-60.7-35.2174.2177.5-124.2000113N563 F568 S569 I590 W594N563-Y565 VanDerWaalsContact C-N 3.29Å; N563-Y565 PolarHBondContact O-N 3.23Å; Y565-F568 HydrophobicContact CD2-CD1 4.46Å; Y565-S569 VanDerWaalsContact O-CB 3.29Å; Y565-S569 WeakPolarHBondContact O-CB 3.46Å; Y565-S569 PolarHBondContact O-N 3.29Å; Y565-S569 PolarHBondContact O-OG 3.2Å; Y565-I590 HydrophobicContact CE2-CG2 4.05Å; Y565-W594 HydrophobicContact CD2-CB 3.63Å; Y565-W594 AromaticContact CD2-CD1 3.65Å; Y565-W594 AromaticContact CD2-CD2 3.61Å; Y565-W594 HydrophobicContact CD2-CD2 3.61Å; Y565-W594 HydrophobicContact CD2-CE3 4.2Å; Y565-W594 AromaticContact CD2-CG 3.32Å; Y565-W594 HydrophobicContact CD2-CG 3.32Å; Y565-W594 HydrophobicContact CE2-CB 3.65Å; Y565-W594 AromaticContact CE2-CG 3.85Å; Y565-W594 HydrophobicContact CE2-CG 3.85Å; Y565-W594 HydrophobicContact CG-CD2 4.29Å; Y565-W594 HydrophobicContact CG-CG 4.23Å
566Q89.2Confident85.3Confident87 Ų8761.7 Ų61.741%0.40732%0.32SS..Hα-helixtrans-70.6-34.7174.4-69.1-176.417.800111.6P561 S562 N563 G564 S569 Q570P561-Q566 HydrophobicContact CB-CB 3.69Å; S562-Q566 PolarHBondContact OG-NE2 3.32Å; S562-Q566 PolarHBondContact OG-OE1 3.17Å; N563-Q566 WeakPolarHBondContact O-CA 3.46Å; N563-Q566 WeakPolarHBondContact O-CB 3.34Å; N563-Q566 PolarHBondContact O-N 3.5Å; G564-Q566 VanDerWaalsContact C-N 3.28Å; G564-Q566 PolarHBondContact O-N 3.36Å; Q566-S569 WeakPolarHBondContact CA-OG 3.2Å; Q566-S569 PolarHBondContact O-OG 3.4Å; Q566-Q570 VanDerWaalsContact O-CB 3.26Å; Q566-Q570 WeakPolarHBondContact O-CB 3.49Å; Q566-Q570 PolarHBondContact O-N 3.47Å
567K92.1Very high85.3Confident33 Ų3363.8 Ų63.814%0.14333%0.33CS..Hα-helixtrans-70-41.5176.6177.164.4-160.7690111.7P561 N563 G564 E571 Y605 I608 A609P561-K567 HydrophobicContact CB-CB 4.01Å; P561-K567 HydrophobicContact CG-CB 4.23Å; P561-K567 HydrophobicContact CG-CD 4.19Å; N563-K567 PolarHBondContact O-N 2.97Å; G564-K567 PolarHBondContact O-N 3.48Å; K567-E571 IonicContact NZ-OE2 3.78Å; K567-E571 PolarHBondContact NZ-OE2 2.98Å; K567-E571 WeakPolarHBondContact O-CB 3.12Å; K567-E571 PolarHBondContact O-N 2.92Å; K567-E571 VanDerWaalsContact O-N 3.13Å; K567-Y605 HydrophobicContact CG-CD1 4.15Å; K567-I608 HydrophobicContact CD-CG2 3.95Å; K567-I608 HydrophobicContact CG-CB 4.48Å; K567-I608 HydrophobicContact CG-CG2 3.86Å; K567-A609 HydrophobicContact CB-CB 4.16Å
568F91.4Very high85.3Confident11 Ų1162.8 Ų62.85%0.04832%0.323CS..Hα-helixtrans-64.3-48.5173.9174.9-102.3000111.9G564 Y565 Q570 E571 M572 I590 R593 W594 L597 Y605G564-F568 WeakPolarHBondContact O-CB 3.03Å; G564-F568 PolarHBondContact O-N 3.3Å; Y565-F568 HydrophobicContact CD2-CD1 4.46Å; F568-Q570 VanDerWaalsContact C-N 3.34Å; F568-Q570 PolarHBondContact O-N 3.46Å; F568-E571 WeakPolarHBondContact O-CB 3.26Å; F568-E571 PolarHBondContact O-N 3.02Å; F568-M572 HydrophobicContact CD1-CG 4.23Å; F568-M572 HydrophobicContact CD2-CG 4.31Å; F568-M572 HydrophobicContact CE1-CG 3.8Å; F568-M572 HydrophobicContact CE2-CG 3.9Å; F568-M572 HydrophobicContact CE2-SD 4.03Å; F568-M572 HydrophobicContact CG-CG 4.48Å; F568-M572 HydrophobicContact CZ-CG 3.63Å; F568-M572 HydrophobicContact CZ-SD 4.01Å; F568-M572 WeakPolarHBondContact O-CG 3.08Å; F568-M572 PolarHBondContact O-N 3.13Å; F568-I590 HydrophobicContact CD1-CG2 4.3Å; F568-I590 HydrophobicContact CE1-CG2 4.24Å; F568-R593 HydrophobicContact CE1-CB 4.22Å; F568-R593 HydrophobicContact CZ-CB 3.99Å; F568-W594 HydrophobicContact CB-CE3 3.67Å; F568-W594 HydrophobicContact CB-CZ3 3.69Å; F568-W594 HydrophobicContact CD1-CB 3.95Å; F568-W594 HydrophobicContact CD1-CD2 4.33Å; F568-W594 AromaticContact CD1-CE3 3.61Å; F568-W594 HydrophobicContact CD1-CE3 3.61Å; F568-W594 HydrophobicContact CD1-CZ3 4.48Å; F568-W594 HydrophobicContact CD2-CE3 4.3Å; F568-W594 HydrophobicContact CE1-CB 3.83Å; F568-W594 HydrophobicContact CE1-CE3 4.31Å; F568-W594 AromaticContact CG-CE3 3.59Å; F568-W594 HydrophobicContact CG-CE3 3.59Å; F568-W594 HydrophobicContact CG-CZ3 4.04Å; F568-L597 HydrophobicContact CD2-CD2 4.1Å; F568-L597 HydrophobicContact CE2-CD1 4.43Å; F568-L597 HydrophobicContact CE2-CD2 4.1Å; F568-Y605 HydrophobicContact CB-CD1 4.46Å; F568-Y605 HydrophobicContact CB-CD2 4.18Å; F568-Y605 HydrophobicContact CB-CG 4.17Å; F568-Y605 HydrophobicContact CD2-CD2 4.02Å; F568-Y605 AromaticContact CD2-CE2 3.61Å; F568-Y605 HydrophobicContact CD2-CE2 3.61Å; F568-Y605 AromaticContact CD2-CZ 3.94Å; F568-Y605 HydrophobicContact CE2-CE2 4.33Å
569S87.8Confident85.4Confident13 Ų1357.7 Ų57.79%0.09131%0.305CS..Hα-helixtrans-65.8-34.2178.354.30000112.9Y565 Q566 E571 L573 I590Y565-S569 VanDerWaalsContact O-CB 3.29Å; Y565-S569 WeakPolarHBondContact O-CB 3.46Å; Y565-S569 PolarHBondContact O-N 3.29Å; Y565-S569 PolarHBondContact O-OG 3.2Å; Q566-S569 WeakPolarHBondContact CA-OG 3.2Å; Q566-S569 PolarHBondContact O-OG 3.4Å; S569-E571 VanDerWaalsContact C-N 3.31Å; S569-E571 PolarHBondContact O-N 3.47Å; S569-L573 WeakPolarHBondContact O-CB 3.42Å; S569-L573 VanDerWaalsContact O-CG 3.24Å; S569-L573 WeakPolarHBondContact O-CG 3.33Å; S569-L573 PolarHBondContact O-N 3.25Å; S569-L573 VanDerWaalsContact O-N 3.1Å; S569-I590 VanDerWaalsContact CB-CG2 3.43Å
570Q89.2Confident85.3Confident103 Ų10357.6 Ų57.648%0.48131%0.306SS..Hα-helixtrans-59.4-42.8169-177.1-177.130.300111.7Q566 F568 L573 S574Q566-Q570 VanDerWaalsContact O-CB 3.26Å; Q566-Q570 WeakPolarHBondContact O-CB 3.49Å; Q566-Q570 PolarHBondContact O-N 3.47Å; F568-Q570 VanDerWaalsContact C-N 3.34Å; F568-Q570 PolarHBondContact O-N 3.46Å; Q570-L573 PolarHBondContact O-N 3.16Å; Q570-S574 PolarHBondContact O-N 3.49Å; Q570-S574 PolarHBondContact O-OG 3.06Å
571E90.1Very high85.1Confident53 Ų5358.4 Ų58.425%0.24831%0.309CS..Hα-helixtrans-68.7-47.5-178.9-157.4164.4122.300111.9K567 F568 S569 L573 S574 N575 Y605K567-E571 IonicContact NZ-OE2 3.78Å; K567-E571 PolarHBondContact NZ-OE2 2.98Å; K567-E571 WeakPolarHBondContact O-CB 3.12Å; K567-E571 PolarHBondContact O-N 2.92Å; K567-E571 VanDerWaalsContact O-N 3.13Å; F568-E571 WeakPolarHBondContact O-CB 3.26Å; F568-E571 PolarHBondContact O-N 3.02Å; S569-E571 VanDerWaalsContact C-N 3.31Å; S569-E571 PolarHBondContact O-N 3.47Å; E571-L573 PolarHBondContact O-N 2.91Å; E571-S574 WeakPolarHBondContact CA-OG 3.19Å; E571-S574 PolarHBondContact O-N 3.2Å; E571-S574 PolarHBondContact O-OG 3.45Å; E571-N575 WeakPolarHBondContact O-CB 3.16Å; E571-N575 PolarHBondContact O-N 3.18Å; E571-N575 PolarHBondContact O-OD1 3.13Å; E571-N575 VanDerWaalsContact O-OD1 3.05Å; E571-Y605 PolarHBondContact OE1-OH 3.05Å
572M87.1Confident85Confident21 Ų2161 Ų6110%0.10333%0.325CS..Hα-helixtrans-61.9-24.2174.5-66.2-53.1-47.800113.5F568 E577 L578 I590 R593F568-M572 HydrophobicContact CD1-CG 4.23Å; F568-M572 HydrophobicContact CD2-CG 4.31Å; F568-M572 HydrophobicContact CE1-CG 3.8Å; F568-M572 HydrophobicContact CE2-CG 3.9Å; F568-M572 HydrophobicContact CE2-SD 4.03Å; F568-M572 HydrophobicContact CG-CG 4.48Å; F568-M572 HydrophobicContact CZ-CG 3.63Å; F568-M572 HydrophobicContact CZ-SD 4.01Å; F568-M572 WeakPolarHBondContact O-CG 3.08Å; F568-M572 PolarHBondContact O-N 3.13Å; M572-E577 WeakPolarHBondContact CE-OE2 3.47Å; M572-L578 HydrophobicContact CB-CD1 4.34Å; M572-L578 HydrophobicContact CE-CD1 4.27Å; M572-I590 HydrophobicContact CB-CD1 3.84Å; M572-I590 HydrophobicContact CB-CG1 3.74Å; M572-I590 HydrophobicContact CG-CG1 4.41Å; M572-R593 VanDerWaalsContact CE-NH1 3.32Å
573L84.7Confident84.7Confident54 Ų5463 Ų6328%0.28333%0.329SS..Hα-helixtrans-85.5-29.7172.3-70.9171.4000113.3S569 Q570 E571 M583 R586 M587 I590S569-L573 WeakPolarHBondContact O-CB 3.42Å; S569-L573 VanDerWaalsContact O-CG 3.24Å; S569-L573 WeakPolarHBondContact O-CG 3.33Å; S569-L573 PolarHBondContact O-N 3.25Å; S569-L573 VanDerWaalsContact O-N 3.1Å; Q570-L573 PolarHBondContact O-N 3.16Å; E571-L573 PolarHBondContact O-N 2.91Å; L573-M583 HydrophobicContact CD2-SD 4.22Å; L573-R586 HydrophobicContact CD2-CB 4.24Å; L573-M587 HydrophobicContact CD1-SD 4.29Å; L573-I590 HydrophobicContact CD1-CD1 4.43Å; L573-I590 HydrophobicContact CD2-CD1 3.77Å; L573-I590 HydrophobicContact CG-CD1 3.69Å
574S85.1Confident84.3Confident85 Ų8566.8 Ų66.859%0.59434%0.341SS*.Hα-helixtrans-77.6-32.8175.356.60000113.2Q570 E571 G576Q570-S574 PolarHBondContact O-N 3.49Å; Q570-S574 PolarHBondContact O-OG 3.06Å; E571-S574 WeakPolarHBondContact CA-OG 3.19Å; E571-S574 PolarHBondContact O-N 3.2Å; E571-S574 PolarHBondContact O-OG 3.45Å; S574-G576 PolarHBondContact O-N 2.85Å; S574-G576 VanDerWaalsContact O-N 3.11Å
575N81.4Confident84.2Confident102 Ų10271.3 Ų71.355%0.54536%0.362SS..SBendtrans-73.6-1-174.9-62.91.9000113.4E571 E577E571-N575 WeakPolarHBondContact O-CB 3.16Å; E571-N575 PolarHBondContact O-N 3.18Å; E571-N575 PolarHBondContact O-OD1 3.13Å; E571-N575 VanDerWaalsContact O-OD1 3.05Å; N575-E577 PolarHBondContact O-N 3.22Å
576G75.3Confident84Confident27 Ų2769.9 Ų69.928%0.27836%0.356SS..  trans75.7-22.9165.700000116.8S574 L578 N579S574-G576 PolarHBondContact O-N 2.85Å; S574-G576 VanDerWaalsContact O-N 3.11Å; G576-L578 PolarHBondContact O-N 3.08Å; G576-L578 VanDerWaalsContact O-N 3.1Å; G576-N579 WeakPolarHBondContact CA-ND2 3.27Å; G576-N579 WeakPolarHBondContact O-CB 3.43Å; G576-N579 PolarHBondContact O-N 3.46Å; G576-N579 PolarHBondContact O-ND2 3.48Å
577E81.8Confident84Confident98 Ų9869.5 Ų69.546%0.45836%0.355SS..G310 helixtrans-43.6-46.4-178.9-166.7-160.3151.200113.4M572 N575 N579 H580 R593M572-E577 WeakPolarHBondContact CE-OE2 3.47Å; N575-E577 PolarHBondContact O-N 3.22Å; E577-N579 VanDerWaalsContact C-N 3.35Å; E577-N579 PolarHBondContact O-N 3.39Å; E577-H580 PolarHBondContact O-CE1 2.95Å; E577-H580 PolarHBondContact O-ND1 3.03Å; E577-R593 IonicContact OE1-CZ 3.72Å; E577-R593 IonicContact OE1-NH1 2.66Å; E577-R593 PolarHBondContact OE1-NH1 3.48Å; E577-R593 IonicContact OE1-NH2 3.63Å; E577-R593 PolarHBondContact OE1-NH2 2.93Å; E577-R593 IonicContact OE2-CZ 3.92Å; E577-R593 IonicContact OE2-NH1 2.78Å; E577-R593 PolarHBondContact OE2-NH1 2.8Å
578L78.9Confident83.8Confident4 Ų472.2 Ų72.22%0.02138%0.375CS..G310 helixtrans-86.54.3-175.6-64.3168.5000114.1M572 G576 H580 L581 R586 E589 I590M572-L578 HydrophobicContact CB-CD1 4.34Å; M572-L578 HydrophobicContact CE-CD1 4.27Å; G576-L578 PolarHBondContact O-N 3.08Å; G576-L578 VanDerWaalsContact O-N 3.1Å; L578-H580 PolarHBondContact O-N 3.5Å; L578-L581 HydrophobicContact CD2-CD1 4.23Å; L578-L581 PolarHBondContact O-N 3.34Å; L578-L581 VanDerWaalsContact O-N 3.09Å; L578-R586 HydrophobicContact CB-CB 4.49Å; L578-R586 HydrophobicContact CB-CG 4.1Å; L578-R586 VanDerWaalsContact O-CD 3.32Å; L578-R586 WeakPolarHBondContact O-CD 3.24Å; L578-R586 WeakPolarHBondContact O-CG 3.35Å; L578-R586 PolarHBondContact O-NE 3.41Å; L578-E589 HydrophobicContact CD2-CB 4.4Å; L578-E589 HydrophobicContact CD2-CG 3.87Å; L578-I590 HydrophobicContact CD1-CD1 3.85Å; L578-I590 HydrophobicContact CD1-CG1 3.47Å; L578-I590 VanDerWaalsContact CD1-CG1 3.47Å
579N80.9Confident83.7Confident92 Ų9274.3 Ų74.349%0.49239%0.385SS..G310 helixtrans-63.9-23.7-174.9-85.2-30.4000114.3G576 E577 L581 R586G576-N579 WeakPolarHBondContact CA-ND2 3.27Å; G576-N579 WeakPolarHBondContact O-CB 3.43Å; G576-N579 PolarHBondContact O-N 3.46Å; G576-N579 PolarHBondContact O-ND2 3.48Å; E577-N579 VanDerWaalsContact C-N 3.35Å; E577-N579 PolarHBondContact O-N 3.39Å; N579-L581 PolarHBondContact O-N 3.23Å; N579-R586 PolarHBondContact O-NH2 3.43Å; N579-R586 PolarHBondContact OD1-NH1 3.43Å
580H80.2Confident83.7Confident146 Ų14673.7 Ų73.768%0.67638%0.38SS*.G310 helixtrans-68.4-18.1176.368.2-86.6000113.4E577 L578E577-H580 PolarHBondContact O-CE1 2.95Å; E577-H580 PolarHBondContact O-ND1 3.03Å; L578-H580 PolarHBondContact O-N 3.5Å
581L79.1Confident83.8Confident48 Ų4869.7 Ų69.725%0.25137%0.367SS..SBendtrans-95.1146.9179.4-61.1178.5000112.7L578 N579 E585 R586L578-L581 HydrophobicContact CD2-CD1 4.23Å; L578-L581 PolarHBondContact O-N 3.34Å; L578-L581 VanDerWaalsContact O-N 3.09Å; N579-L581 PolarHBondContact O-N 3.23Å; L581-E585 HydrophobicContact CB-CB 4.31Å; L581-R586 HydrophobicContact CB-CG 4Å; L581-R586 PolarHBondContact O-NE 2.95Å
582P83.3Confident83.8Confident72 Ų7269.5 Ų69.547%0.46837%0.372SS..  trans-51.8142.2166-25.734.5000112.1K584 E585 R586P582-K584 PolarHBondContact O-N 2.89Å; P582-E585 WeakPolarHBondContact CD-OE2 3.37Å; P582-E585 PolarHBondContact O-N 3.47Å; P582-R586 PolarHBondContact O-N 2.99Å
583M73.9Confident84Confident107 Ų10771.6 Ų71.653%0.52738%0.378SS..Hα-helixtrans-53.3-33-175.1-174.861.676.300113.6L573 M587L573-M583 HydrophobicContact CD2-SD 4.22Å; M583-M587 WeakPolarHBondContact O-CG 3.36Å; M583-M587 PolarHBondContact O-N 3.2Å
584K80.9Confident84.3Confident174 Ų17470.9 Ų70.976%0.75737%0.372SS*.Hα-helixtrans-62.7-44.9175.3-172.2-172.4175.2-1650111.9P582 M587 T588P582-K584 PolarHBondContact O-N 2.89Å; K584-M587 PolarHBondContact O-N 2.75Å; K584-T588 PolarHBondContact O-N 2.81Å; K584-T588 PolarHBondContact O-OG1 3.37Å
585E85.4Confident84.4Confident97 Ų9773.6 Ų73.645%0.45338%0.375SS..Hα-helixtrans-73.7-35-179.9-75.3145.6-122.900111.9L581 P582 M587 T588 E589L581-E585 HydrophobicContact CB-CB 4.31Å; P582-E585 WeakPolarHBondContact CD-OE2 3.37Å; P582-E585 PolarHBondContact O-N 3.47Å; E585-M587 VanDerWaalsContact C-N 3.32Å; E585-M587 PolarHBondContact O-N 2.92Å; E585-T588 WeakPolarHBondContact O-CB 3.4Å; E585-T588 PolarHBondContact O-N 3.31Å; E585-E589 PolarHBondContact O-N 3.42Å
586R87.3Confident84.9Confident40 Ų4076.7 Ų76.715%0.15138%0.379CS..Hα-helixtrans-55.5-47.7169.8-57.4-171.2-151.4-176.5-2.1111.8L573 L578 N579 L581 P582 T588 E589 I590L573-R586 HydrophobicContact CD2-CB 4.24Å; L578-R586 HydrophobicContact CB-CB 4.49Å; L578-R586 HydrophobicContact CB-CG 4.1Å; L578-R586 VanDerWaalsContact O-CD 3.32Å; L578-R586 WeakPolarHBondContact O-CD 3.24Å; L578-R586 WeakPolarHBondContact O-CG 3.35Å; L578-R586 PolarHBondContact O-NE 3.41Å; N579-R586 PolarHBondContact O-NH2 3.43Å; N579-R586 PolarHBondContact OD1-NH1 3.43Å; L581-R586 HydrophobicContact CB-CG 4Å; L581-R586 PolarHBondContact O-NE 2.95Å; P582-R586 PolarHBondContact O-N 2.99Å; R586-T588 VanDerWaalsContact C-N 3.29Å; R586-T588 PolarHBondContact O-N 3.22Å; R586-E589 PolarHBondContact O-N 3Å; R586-I590 VanDerWaalsContact O-CB 3.31Å; R586-I590 WeakPolarHBondContact O-CB 3.47Å; R586-I590 WeakPolarHBondContact O-CD1 3.28Å; R586-I590 WeakPolarHBondContact O-CG1 3.39Å; R586-I590 PolarHBondContact O-N 2.75Å
587M87.8Confident85.7Confident79 Ų7976.8 Ų76.839%0.38937%0.373SS..Hα-helixtrans-64.8-34.2180-67.9-56.6-58.200112.1L573 M583 K584 E585 G591L573-M587 HydrophobicContact CD1-SD 4.29Å; M583-M587 WeakPolarHBondContact O-CG 3.36Å; M583-M587 PolarHBondContact O-N 3.2Å; K584-M587 PolarHBondContact O-N 2.75Å; E585-M587 VanDerWaalsContact C-N 3.32Å; E585-M587 PolarHBondContact O-N 2.92Å; M587-G591 PolarHBondContact O-N 2.87Å; M587-G591 VanDerWaalsContact O-N 3.12Å
588T87.6Confident86.2Confident91 Ų9175.7 Ų75.756%0.55838%0.375SS*.Hα-helixtrans-64.3-52171.8-53.70000111.5K584 E585 R586 I590 G591 S592K584-T588 PolarHBondContact O-N 2.81Å; K584-T588 PolarHBondContact O-OG1 3.37Å; E585-T588 WeakPolarHBondContact O-CB 3.4Å; E585-T588 PolarHBondContact O-N 3.31Å; R586-T588 VanDerWaalsContact C-N 3.29Å; R586-T588 PolarHBondContact O-N 3.22Å; T588-I590 VanDerWaalsContact C-N 3.35Å; T588-I590 PolarHBondContact O-N 3.39Å; T588-G591 WeakPolarHBondContact O-CA 3.48Å; T588-G591 PolarHBondContact O-N 2.73Å; T588-G591 VanDerWaalsContact O-N 3.13Å; T588-S592 PolarHBondContact O-N 2.68Å; T588-S592 PolarHBondContact O-OG 3.34Å
589E89.5Confident86.6Confident54 Ų5481.6 Ų81.625%0.25241%0.405SS..Hα-helixtrans-66.4-35.9-177.5177.253.7-163.600112.2L578 E585 R586 G591 S592 R593 R596L578-E589 HydrophobicContact CD2-CB 4.4Å; L578-E589 HydrophobicContact CD2-CG 3.87Å; E585-E589 PolarHBondContact O-N 3.42Å; R586-E589 PolarHBondContact O-N 3Å; E589-G591 VanDerWaalsContact C-N 3.33Å; E589-G591 PolarHBondContact O-N 3.33Å; E589-S592 CarbonylContact O-C 3.29Å; E589-S592 PolarHBondContact O-N 3.33Å; E589-R593 HydrophobicContact CG-CG 4.46Å; E589-R593 WeakPolarHBondContact O-CB 3.19Å; E589-R593 WeakPolarHBondContact O-CG 3.45Å; E589-R593 PolarHBondContact O-N 3.46Å; E589-R593 VanDerWaalsContact OE1-CG 3.32Å; E589-R593 WeakPolarHBondContact OE1-CG 3.28Å; E589-R593 IonicContact OE1-CZ 2.65Å; E589-R593 IonicContact OE1-NE 3.13Å; E589-R593 PolarHBondContact OE1-NE 3.5Å; E589-R593 IonicContact OE1-NH2 3.43Å; E589-R596 IonicContact OE1-NH2 3.63Å; E589-R596 PolarHBondContact OE1-NH2 3.18Å; E589-R596 IonicContact OE2-NH2 3.51Å
590I89.3Confident87Confident0 Ų085.8 Ų85.80%042%0.419CS..Hα-helixtrans-62.6-40.2172.4-71.1169.5000111.2Y565 F568 S569 M572 L573 L578 R586 T588 R593 W594Y565-I590 HydrophobicContact CE2-CG2 4.05Å; F568-I590 HydrophobicContact CD1-CG2 4.3Å; F568-I590 HydrophobicContact CE1-CG2 4.24Å; S569-I590 VanDerWaalsContact CB-CG2 3.43Å; M572-I590 HydrophobicContact CB-CD1 3.84Å; M572-I590 HydrophobicContact CB-CG1 3.74Å; M572-I590 HydrophobicContact CG-CG1 4.41Å; L573-I590 HydrophobicContact CD1-CD1 4.43Å; L573-I590 HydrophobicContact CD2-CD1 3.77Å; L573-I590 HydrophobicContact CG-CD1 3.69Å; L578-I590 HydrophobicContact CD1-CD1 3.85Å; L578-I590 HydrophobicContact CD1-CG1 3.47Å; L578-I590 VanDerWaalsContact CD1-CG1 3.47Å; R586-I590 VanDerWaalsContact O-CB 3.31Å; R586-I590 WeakPolarHBondContact O-CB 3.47Å; R586-I590 WeakPolarHBondContact O-CD1 3.28Å; R586-I590 WeakPolarHBondContact O-CG1 3.39Å; R586-I590 PolarHBondContact O-N 2.75Å; T588-I590 VanDerWaalsContact C-N 3.35Å; T588-I590 PolarHBondContact O-N 3.39Å; I590-R593 PolarHBondContact O-N 3.08Å; I590-W594 WeakPolarHBondContact O-CB 3.44Å; I590-W594 PolarHBondContact O-N 3.14Å
591G89.7Confident87.4Confident19 Ų1981 Ų8120%0.19640%0.398CS..Hα-helixtrans-60.5-49171.200000112M587 T588 E589 R593 W594 Q595M587-G591 PolarHBondContact O-N 2.87Å; M587-G591 VanDerWaalsContact O-N 3.12Å; T588-G591 WeakPolarHBondContact O-CA 3.48Å; T588-G591 PolarHBondContact O-N 2.73Å; T588-G591 VanDerWaalsContact O-N 3.13Å; E589-G591 VanDerWaalsContact C-N 3.33Å; E589-G591 PolarHBondContact O-N 3.33Å; G591-R593 VanDerWaalsContact C-N 3.3Å; G591-R593 PolarHBondContact O-N 3.4Å; G591-W594 PolarHBondContact O-N 3.44Å; G591-Q595 WeakPolarHBondContact O-CG 3.43Å; G591-Q595 PolarHBondContact O-N 2.91Å
592S91.1Very high88Confident50 Ų5080.6 Ų80.635%0.3540%0.395SS..Hα-helixtrans-61.6-33.8177.1-61.40000113.4T588 E589 R596T588-S592 PolarHBondContact O-N 2.68Å; T588-S592 PolarHBondContact O-OG 3.34Å; E589-S592 CarbonylContact O-C 3.29Å; E589-S592 PolarHBondContact O-N 3.33Å; S592-R596 WeakPolarHBondContact O-CG 3.31Å; S592-R596 PolarHBondContact O-N 2.79Å; S592-R596 PolarHBondContact O-NE 3.07Å
593R90.3Very high88.3Confident64 Ų6481 Ų8124%0.24239%0.393CS..Hα-helixtrans-75.1-40.6174.3-72.1179.8-176.8-1557112.2F568 M572 E577 E589 I590 G591 Q595 R596 L597F568-R593 HydrophobicContact CE1-CB 4.22Å; F568-R593 HydrophobicContact CZ-CB 3.99Å; M572-R593 VanDerWaalsContact CE-NH1 3.32Å; E577-R593 IonicContact OE1-CZ 3.72Å; E577-R593 IonicContact OE1-NH1 2.66Å; E577-R593 PolarHBondContact OE1-NH1 3.48Å; E577-R593 IonicContact OE1-NH2 3.63Å; E577-R593 PolarHBondContact OE1-NH2 2.93Å; E577-R593 IonicContact OE2-CZ 3.92Å; E577-R593 IonicContact OE2-NH1 2.78Å; E577-R593 PolarHBondContact OE2-NH1 2.8Å; E589-R593 HydrophobicContact CG-CG 4.46Å; E589-R593 WeakPolarHBondContact O-CB 3.19Å; E589-R593 WeakPolarHBondContact O-CG 3.45Å; E589-R593 PolarHBondContact O-N 3.46Å; E589-R593 VanDerWaalsContact OE1-CG 3.32Å; E589-R593 WeakPolarHBondContact OE1-CG 3.28Å; E589-R593 IonicContact OE1-CZ 2.65Å; E589-R593 IonicContact OE1-NE 3.13Å; E589-R593 PolarHBondContact OE1-NE 3.5Å; E589-R593 IonicContact OE1-NH2 3.43Å; I590-R593 PolarHBondContact O-N 3.08Å; G591-R593 VanDerWaalsContact C-N 3.3Å; G591-R593 PolarHBondContact O-N 3.4Å; R593-Q595 VanDerWaalsContact C-N 3.34Å; R593-Q595 PolarHBondContact O-N 3.12Å; R593-R596 PolarHBondContact O-N 3.4Å; R593-L597 PolarHBondContact O-N 3.41Å
594W90.7Very high89.1Confident40 Ų4080.9 Ų80.915%0.15239%0.387CS..Hα-helixtrans-61.1-42.1174.9176.4-103.9000111.8Y565 F568 I590 G591 R596 L597 K602 Y605Y565-W594 HydrophobicContact CD2-CB 3.63Å; Y565-W594 AromaticContact CD2-CD1 3.65Å; Y565-W594 AromaticContact CD2-CD2 3.61Å; Y565-W594 HydrophobicContact CD2-CD2 3.61Å; Y565-W594 HydrophobicContact CD2-CE3 4.2Å; Y565-W594 AromaticContact CD2-CG 3.32Å; Y565-W594 HydrophobicContact CD2-CG 3.32Å; Y565-W594 HydrophobicContact CE2-CB 3.65Å; Y565-W594 AromaticContact CE2-CG 3.85Å; Y565-W594 HydrophobicContact CE2-CG 3.85Å; Y565-W594 HydrophobicContact CG-CD2 4.29Å; Y565-W594 HydrophobicContact CG-CG 4.23Å; F568-W594 HydrophobicContact CB-CE3 3.67Å; F568-W594 HydrophobicContact CB-CZ3 3.69Å; F568-W594 HydrophobicContact CD1-CB 3.95Å; F568-W594 HydrophobicContact CD1-CD2 4.33Å; F568-W594 AromaticContact CD1-CE3 3.61Å; F568-W594 HydrophobicContact CD1-CE3 3.61Å; F568-W594 HydrophobicContact CD1-CZ3 4.48Å; F568-W594 HydrophobicContact CD2-CE3 4.3Å; F568-W594 HydrophobicContact CE1-CB 3.83Å; F568-W594 HydrophobicContact CE1-CE3 4.31Å; F568-W594 AromaticContact CG-CE3 3.59Å; F568-W594 HydrophobicContact CG-CE3 3.59Å; F568-W594 HydrophobicContact CG-CZ3 4.04Å; I590-W594 WeakPolarHBondContact O-CB 3.44Å; I590-W594 PolarHBondContact O-N 3.14Å; G591-W594 PolarHBondContact O-N 3.44Å; W594-R596 PolarHBondContact O-N 2.89Å; W594-L597 HydrophobicContact CE3-CD2 3.71Å; W594-L597 HydrophobicContact CZ3-CD2 3.79Å; W594-L597 VanDerWaalsContact O-CB 3.26Å; W594-L597 WeakPolarHBondContact O-CB 3.35Å; W594-L597 PolarHBondContact O-N 2.66Å; W594-K602 HydrophobicContact CD2-CG 4.43Å; W594-K602 HydrophobicContact CE3-CG 4.33Å; W594-K602 HydrophobicContact CH2-CB 3.8Å; W594-K602 HydrophobicContact CH2-CG 3.79Å; W594-K602 HydrophobicContact CZ2-CB 4.1Å; W594-K602 HydrophobicContact CZ2-CG 3.87Å; W594-K602 HydrophobicContact CZ3-CB 4.34Å; W594-K602 HydrophobicContact CZ3-CG 4.02Å; W594-K602 WeakPolarHBondContact O-CE 3.41Å; W594-K602 PolarHBondContact O-NZ 2.98Å; W594-Y605 HydrophobicContact CZ3-CD2 4.03Å; W594-Y605 HydrophobicContact CZ3-CG 4.41Å
595Q89.1Confident89.7Confident141 Ų14173.6 Ų73.666%0.65935%0.354SS*.Hα-helixtrans-61.4-45.2177.4-68.1-61.9-4.900111.8G591 R593 L597 K602G591-Q595 WeakPolarHBondContact O-CG 3.43Å; G591-Q595 PolarHBondContact O-N 2.91Å; R593-Q595 VanDerWaalsContact C-N 3.34Å; R593-Q595 PolarHBondContact O-N 3.12Å; Q595-L597 PolarHBondContact O-N 2.93Å; Q595-K602 PolarHBondContact O-NZ 3.07Å
596R90.5Very high90Very high168 Ų16873.8 Ų73.863%0.63435%0.354SS*.Hα-helixtrans-69.3-9.4176.3-71.1178.8-72.3171.6-1.7115E589 S592 R593 W594E589-R596 IonicContact OE1-NH2 3.63Å; E589-R596 PolarHBondContact OE1-NH2 3.18Å; E589-R596 IonicContact OE2-NH2 3.51Å; S592-R596 WeakPolarHBondContact O-CG 3.31Å; S592-R596 PolarHBondContact O-N 2.79Å; S592-R596 PolarHBondContact O-NE 3.07Å; R593-R596 PolarHBondContact O-N 3.4Å; W594-R596 PolarHBondContact O-N 2.89Å
597L92.1Very high90.2Very high29 Ų2979.2 Ų79.215%0.15238%0.379CS..SBendtrans-73.2136.2-177-168.670.3000111.1F568 R593 W594 Q595 D601 K602 Y605F568-L597 HydrophobicContact CD2-CD2 4.1Å; F568-L597 HydrophobicContact CE2-CD1 4.43Å; F568-L597 HydrophobicContact CE2-CD2 4.1Å; R593-L597 PolarHBondContact O-N 3.41Å; W594-L597 HydrophobicContact CE3-CD2 3.71Å; W594-L597 HydrophobicContact CZ3-CD2 3.79Å; W594-L597 VanDerWaalsContact O-CB 3.26Å; W594-L597 WeakPolarHBondContact O-CB 3.35Å; W594-L597 PolarHBondContact O-N 2.66Å; Q595-L597 PolarHBondContact O-N 2.93Å; L597-D601 HydrophobicContact CD1-CB 3.76Å; L597-D601 HydrophobicContact CD2-CB 3.94Å; L597-D601 HydrophobicContact CG-CB 3.61Å; L597-K602 HydrophobicContact CB-CG 4.21Å; L597-K602 HydrophobicContact CD2-CG 3.95Å; L597-K602 HydrophobicContact CG-CG 4.25Å; L597-K602 WeakPolarHBondContact O-CE 3.28Å; L597-K602 PolarHBondContact O-NZ 2.88Å; L597-Y605 HydrophobicContact CD2-CD2 3.8Å; L597-Y605 HydrophobicContact CD2-CE2 3.81Å
598P92.1Very high90.2Very high75 Ų7578.1 Ų78.149%0.48737%0.374SS..  trans-58.1153.6175.5-26.335.7000113.5K600 D601 K602P598-K600 PolarHBondContact O-N 2.97Å; P598-D601 HydrophobicContact CB-CB 4.49Å; P598-D601 WeakPolarHBondContact CD-OD2 2.98Å; P598-D601 WeakPolarHBondContact CG-OD2 3.05Å; P598-D601 WeakPolarHBondContact O-CB 3.26Å; P598-D601 PolarHBondContact O-N 3.2Å; P598-D601 VanDerWaalsContact O-N 3.15Å; P598-K602 WeakPolarHBondContact O-CG 3.24Å; P598-K602 PolarHBondContact O-N 3.42Å
599L88.3Confident90.3Very high128 Ų12873.8 Ų73.867%0.6735%0.347SS*.Hα-helixtrans-56.9-52.5178.9-69.5170.7000111.6D601 K602 D603L599-D601 PolarHBondContact O-N 3.12Å; L599-K602 HydrophobicContact CD2-CD 4.35Å; L599-K602 CarbonylContact O-C 3.53Å; L599-K602 WeakPolarHBondContact O-CA 3.39Å; L599-K602 WeakPolarHBondContact O-CB 3.48Å; L599-K602 PolarHBondContact O-N 3.09Å; L599-D603 VanDerWaalsContact C-OD2 3.27Å; L599-D603 VanDerWaalsContact O-CG 3.23Å; L599-D603 PolarHBondContact O-N 3.05Å
600K89.8Confident90.4Very high180 Ų18074.9 Ų74.978%0.78335%0.352SS*.Hα-helixtrans-50.9-32.4175.5-174.1174-177.6173.60114.5P598 R604P598-K600 PolarHBondContact O-N 2.97Å; K600-R604 PolarHBondContact O-N 3.11Å
601D87.9Confident90.5Very high44 Ų4480 Ų8024%0.23538%0.376CS..Hα-helixtrans-79-42.2174.6-74.9-58.2000112.2L597 P598 L599 D603 R604 Y605L597-D601 HydrophobicContact CD1-CB 3.76Å; L597-D601 HydrophobicContact CD2-CB 3.94Å; L597-D601 HydrophobicContact CG-CB 3.61Å; P598-D601 HydrophobicContact CB-CB 4.49Å; P598-D601 WeakPolarHBondContact CD-OD2 2.98Å; P598-D601 WeakPolarHBondContact CG-OD2 3.05Å; P598-D601 WeakPolarHBondContact O-CB 3.26Å; P598-D601 PolarHBondContact O-N 3.2Å; P598-D601 VanDerWaalsContact O-N 3.15Å; L599-D601 PolarHBondContact O-N 3.12Å; D601-D603 VanDerWaalsContact C-N 3.27Å; D601-D603 PolarHBondContact O-N 2.78Å; D601-R604 PolarHBondContact O-N 3.18Å; D601-R604 IonicContact OD1-CZ 3.72Å; D601-R604 IonicContact OD1-NH1 2.71Å; D601-R604 PolarHBondContact OD1-NH1 3.08Å; D601-R604 IonicContact OD1-NH2 3.3Å; D601-R604 PolarHBondContact OD1-NH2 3.12Å; D601-Y605 WeakPolarHBondContact O-CD2 3.44Å; D601-Y605 PolarHBondContact O-N 3.38Å; D601-Y605 VanDerWaalsContact O-N 3.1Å
602K91.1Very high90.4Very high40 Ų4083.5 Ų83.517%0.17439%0.386CS..Hα-helixtrans-56.8-42.3171.7-69.7165.5167.61470111.1W594 Q595 L597 P598 L599 Y605 K606W594-K602 HydrophobicContact CD2-CG 4.43Å; W594-K602 HydrophobicContact CE3-CG 4.33Å; W594-K602 HydrophobicContact CH2-CB 3.8Å; W594-K602 HydrophobicContact CH2-CG 3.79Å; W594-K602 HydrophobicContact CZ2-CB 4.1Å; W594-K602 HydrophobicContact CZ2-CG 3.87Å; W594-K602 HydrophobicContact CZ3-CB 4.34Å; W594-K602 HydrophobicContact CZ3-CG 4.02Å; W594-K602 WeakPolarHBondContact O-CE 3.41Å; W594-K602 PolarHBondContact O-NZ 2.98Å; Q595-K602 PolarHBondContact O-NZ 3.07Å; L597-K602 HydrophobicContact CB-CG 4.21Å; L597-K602 HydrophobicContact CD2-CG 3.95Å; L597-K602 HydrophobicContact CG-CG 4.25Å; L597-K602 WeakPolarHBondContact O-CE 3.28Å; L597-K602 PolarHBondContact O-NZ 2.88Å; P598-K602 WeakPolarHBondContact O-CG 3.24Å; P598-K602 PolarHBondContact O-N 3.42Å; L599-K602 HydrophobicContact CD2-CD 4.35Å; L599-K602 CarbonylContact O-C 3.53Å; L599-K602 WeakPolarHBondContact O-CA 3.39Å; L599-K602 WeakPolarHBondContact O-CB 3.48Å; L599-K602 PolarHBondContact O-N 3.09Å; K602-Y605 CarbonylContact O-C 3.5Å; K602-Y605 PolarHBondContact O-N 3.06Å; K602-Y605 VanDerWaalsContact O-N 3.17Å; K602-K606 PolarHBondContact O-N 3.49Å
603D89.8Confident90.2Very high80 Ų8084.5 Ų84.543%0.42839%0.385SS..Hα-helixtrans-69.4-37.2179.6-59.8-37.3000112.4L599 D601 Y605 K606 K607L599-D603 VanDerWaalsContact C-OD2 3.27Å; L599-D603 VanDerWaalsContact O-CG 3.23Å; L599-D603 PolarHBondContact O-N 3.05Å; D601-D603 VanDerWaalsContact C-N 3.27Å; D601-D603 PolarHBondContact O-N 2.78Å; D603-Y605 VanDerWaalsContact C-N 3.31Å; D603-Y605 PolarHBondContact O-N 3.17Å; D603-K606 WeakPolarHBondContact O-CB 3.38Å; D603-K606 PolarHBondContact O-N 2.93Å; D603-K607 PolarHBondContact O-N 2.8Å
604R92Very high90.1Very high105 Ų10588.3 Ų88.340%0.39640%0.404SS..Hα-helixtrans-58-45.2168.4-177.1-17862.7-100.3-0.4110.7K600 D601 I608K600-R604 PolarHBondContact O-N 3.11Å; D601-R604 PolarHBondContact O-N 3.18Å; D601-R604 IonicContact OD1-CZ 3.72Å; D601-R604 IonicContact OD1-NH1 2.71Å; D601-R604 PolarHBondContact OD1-NH1 3.08Å; D601-R604 IonicContact OD1-NH2 3.3Å; D601-R604 PolarHBondContact OD1-NH2 3.12Å; R604-I608 HydrophobicContact CG-CD1 3.77Å; R604-I608 HydrophobicContact CG-CG1 4.49Å; R604-I608 WeakPolarHBondContact O-CB 3.48Å; R604-I608 VanDerWaalsContact O-CG1 3.23Å; R604-I608 WeakPolarHBondContact O-CG1 3.4Å; R604-I608 PolarHBondContact O-N 2.61Å
605Y91.6Very high89.9Confident21 Ų2189.9 Ų89.98%0.08241%0.412CS..Hα-helixtrans-69.6-31.8177.1-66.9-62.2000113.2G564 K567 F568 E571 W594 L597 D601 K602 D603 A609G564-Y605 VanDerWaalsContact CA-C 3.5Å; G564-Y605 VanDerWaalsContact CA-O 3.27Å; G564-Y605 WeakPolarHBondContact CA-O 3.25Å; K567-Y605 HydrophobicContact CG-CD1 4.15Å; F568-Y605 HydrophobicContact CB-CD1 4.46Å; F568-Y605 HydrophobicContact CB-CD2 4.18Å; F568-Y605 HydrophobicContact CB-CG 4.17Å; F568-Y605 HydrophobicContact CD2-CD2 4.02Å; F568-Y605 AromaticContact CD2-CE2 3.61Å; F568-Y605 HydrophobicContact CD2-CE2 3.61Å; F568-Y605 AromaticContact CD2-CZ 3.94Å; F568-Y605 HydrophobicContact CE2-CE2 4.33Å; E571-Y605 PolarHBondContact OE1-OH 3.05Å; W594-Y605 HydrophobicContact CZ3-CD2 4.03Å; W594-Y605 HydrophobicContact CZ3-CG 4.41Å; L597-Y605 HydrophobicContact CD2-CD2 3.8Å; L597-Y605 HydrophobicContact CD2-CE2 3.81Å; D601-Y605 WeakPolarHBondContact O-CD2 3.44Å; D601-Y605 PolarHBondContact O-N 3.38Å; D601-Y605 VanDerWaalsContact O-N 3.1Å; K602-Y605 CarbonylContact O-C 3.5Å; K602-Y605 PolarHBondContact O-N 3.06Å; K602-Y605 VanDerWaalsContact O-N 3.17Å; D603-Y605 VanDerWaalsContact C-N 3.31Å; D603-Y605 PolarHBondContact O-N 3.17Å; Y605-A609 WeakPolarHBondContact O-CB 3.14Å; Y605-A609 PolarHBondContact O-N 3.33Å
606K91.6Very high89.8Confident102 Ų10284.4 Ų84.444%0.44339%0.386SS..Hα-helixtrans-57.3-59.5170.1177.4-175.3169.9-172.30109.8K602 D603 I608 A609 E610K602-K606 PolarHBondContact O-N 3.49Å; D603-K606 WeakPolarHBondContact O-CB 3.38Å; D603-K606 PolarHBondContact O-N 2.93Å; K606-I608 PolarHBondContact O-N 3.05Å; K606-A609 WeakPolarHBondContact O-CB 3.36Å; K606-A609 PolarHBondContact O-N 3.34Å; K606-E610 WeakPolarHBondContact CE-OE1 3.49Å; K606-E610 WeakPolarHBondContact CG-OE1 3.47Å; K606-E610 WeakPolarHBondContact O-CG 3.04Å; K606-E610 PolarHBondContact O-N 3.21Å
607K92.3Very high89.6Confident154 Ų15482.4 Ų82.467%0.6738%0.382SS*.Hα-helixtrans-57.8-41.8-180-67.3-168.3175.8-164.80112.9D603 A609 E610 E611D603-K607 PolarHBondContact O-N 2.8Å; K607-A609 VanDerWaalsContact C-N 3.35Å; K607-A609 PolarHBondContact O-N 3.04Å; K607-E610 PolarHBondContact O-N 3.09Å; K607-E611 PolarHBondContact O-N 2.92Å
608I88.1Confident89.5Confident55 Ų5584.5 Ų84.528%0.28240%0.396SS..Hα-helixtrans-64.6-35.8175.7-67168.1000112.2K567 R604 K606 K612K567-I608 HydrophobicContact CD-CG2 3.95Å; K567-I608 HydrophobicContact CG-CB 4.48Å; K567-I608 HydrophobicContact CG-CG2 3.86Å; R604-I608 HydrophobicContact CG-CD1 3.77Å; R604-I608 HydrophobicContact CG-CG1 4.49Å; R604-I608 WeakPolarHBondContact O-CB 3.48Å; R604-I608 VanDerWaalsContact O-CG1 3.23Å; R604-I608 WeakPolarHBondContact O-CG1 3.4Å; R604-I608 PolarHBondContact O-N 2.61Å; K606-I608 PolarHBondContact O-N 3.05Å; I608-K612 WeakPolarHBondContact O-CB 3.43Å; I608-K612 WeakPolarHBondContact O-CG 3.42Å; I608-K612 PolarHBondContact O-N 3.49Å
609A90.2Very high89.3Confident1 Ų185.3 Ų85.31%0.00840%0.396CS..Hα-helixtrans-73.2-35.8176.400000112.2N563 K567 Y605 K606 K607 Q613N563-A609 VanDerWaalsContact C-CB 3.5Å; K567-A609 HydrophobicContact CB-CB 4.16Å; Y605-A609 WeakPolarHBondContact O-CB 3.14Å; Y605-A609 PolarHBondContact O-N 3.33Å; K606-A609 WeakPolarHBondContact O-CB 3.36Å; K606-A609 PolarHBondContact O-N 3.34Å; K607-A609 VanDerWaalsContact C-N 3.35Å; K607-A609 PolarHBondContact O-N 3.04Å; A609-Q613 WeakPolarHBondContact O-CG 3.45Å; A609-Q613 PolarHBondContact O-N 3.36Å; A609-Q613 VanDerWaalsContact O-N 3.08Å; A609-Q613 PolarHBondContact O-NE2 3.31Å
610E91.1Very high89.1Confident76 Ų7680.6 Ų80.636%0.35537%0.371SS..Hα-helixtrans-69.4-46.9177-73.6158.6173.300111.9K606 K607 K612 Q613 K614K606-E610 WeakPolarHBondContact CE-OE1 3.49Å; K606-E610 WeakPolarHBondContact CG-OE1 3.47Å; K606-E610 WeakPolarHBondContact O-CG 3.04Å; K606-E610 PolarHBondContact O-N 3.21Å; K607-E610 PolarHBondContact O-N 3.09Å; E610-K612 VanDerWaalsContact C-N 3.31Å; E610-K612 PolarHBondContact O-N 3.18Å; E610-Q613 CarbonylContact O-C 3.55Å; E610-Q613 WeakPolarHBondContact O-CA 3.34Å; E610-Q613 WeakPolarHBondContact O-CB 3.27Å; E610-Q613 PolarHBondContact O-N 3.22Å; E610-K614 PolarHBondContact O-N 2.86Å
611E91.8Very high88.9Confident108 Ų10876.9 Ų76.951%0.50536%0.356SS..Hα-helixtrans-61.9-40.7176.5-163.3-160.5154.800111.3K607 Q613 K614 Q615K607-E611 PolarHBondContact O-N 2.92Å; E611-Q613 PolarHBondContact O-N 3.44Å; E611-K614 PolarHBondContact O-N 2.83Å; E611-Q615 WeakPolarHBondContact O-CB 3.49Å; E611-Q615 WeakPolarHBondContact O-CG 3.35Å; E611-Q615 PolarHBondContact O-N 3.04Å; E611-Q615 PolarHBondContact OE1-NE2 3.28Å
612K87.7Confident88.9Confident92 Ų9280.4 Ų80.440%0.437%0.372SS..Hα-helixtrans-65.1-28.3174.2-68-69.5157.4-157.50112.5P560 I608 E610 Y616P560-K612 HydrophobicContact CB-CB 3.92Å; P560-K612 WeakPolarHBondContact CG-O 3.39Å; I608-K612 WeakPolarHBondContact O-CB 3.43Å; I608-K612 WeakPolarHBondContact O-CG 3.42Å; I608-K612 PolarHBondContact O-N 3.49Å; E610-K612 VanDerWaalsContact C-N 3.31Å; E610-K612 PolarHBondContact O-N 3.18Å; K612-Y616 VanDerWaalsContact O-CB 3.28Å; K612-Y616 WeakPolarHBondContact O-CB 3.25Å; K612-Y616 PolarHBondContact O-N 2.75Å
613Q86.4Confident88.7Confident72 Ų7279.6 Ų79.634%0.33637%0.367SS..Hα-helixtrans-74.3-42.1170.7-75.8177.5100.200112.9P560 S562 A609 E610 E611 Y616 K617P560-Q613 HydrophobicContact CG-CG 3.76Å; S562-Q613 PolarHBondContact O-NE2 2.95Å; A609-Q613 WeakPolarHBondContact O-CG 3.45Å; A609-Q613 PolarHBondContact O-N 3.36Å; A609-Q613 VanDerWaalsContact O-N 3.08Å; A609-Q613 PolarHBondContact O-NE2 3.31Å; E610-Q613 CarbonylContact O-C 3.55Å; E610-Q613 WeakPolarHBondContact O-CA 3.34Å; E610-Q613 WeakPolarHBondContact O-CB 3.27Å; E610-Q613 PolarHBondContact O-N 3.22Å; E611-Q613 PolarHBondContact O-N 3.44Å; Q613-Y616 PolarHBondContact O-N 2.72Å; Q613-K617 PolarHBondContact O-N 3.05Å
614K88.9Confident88.4Confident144 Ų14477.5 Ų77.563%0.62636%0.356SS*.Hα-helixtrans-57.5-48.5171.9-70.3-169.3176.7-1710110.1E610 E611 Y616 K617 V618E610-K614 PolarHBondContact O-N 2.86Å; E611-K614 PolarHBondContact O-N 2.83Å; K614-Y616 PolarHBondContact O-N 3.35Å; K614-K617 PolarHBondContact O-N 3.14Å; K614-V618 PolarHBondContact O-N 3.45Å
615Q85.9Confident88.1Confident72 Ų7275.7 Ų75.734%0.33636%0.363SS..Hα-helixtrans-59.9-41.4174.4-70.5172.67.500113.1E611 L619E611-Q615 WeakPolarHBondContact O-CB 3.49Å; E611-Q615 WeakPolarHBondContact O-CG 3.35Å; E611-Q615 PolarHBondContact O-N 3.04Å; E611-Q615 PolarHBondContact OE1-NE2 3.28Å; Q615-L619 WeakPolarHBondContact O-CG 3.04Å; Q615-L619 PolarHBondContact O-N 2.79Å; Q615-L619 VanDerWaalsContact O-N 3.13Å
616Y87.1Confident87.7Confident27 Ų2779 Ų7911%0.10639%0.39CS..Hα-helixtrans-65.4-39176.8171.9-97.5000113.2P557 K558 K559 P560 K612 Q613 K614 L619 L620P557-Y616 HydrophobicContact CB-CD2 4Å; P557-Y616 HydrophobicContact CB-CE2 3.71Å; P557-Y616 WeakPolarHBondContact O-CE2 3.4Å; K558-Y616 WeakPolarHBondContact O-CD2 3.41Å; K559-Y616 HydrophobicContact CB-CE2 4.48Å; K559-Y616 WeakPolarHBondContact CE-OH 3.4Å; K559-Y616 HydrophobicContact CG-CE1 4.06Å; K559-Y616 HydrophobicContact CG-CE2 3.99Å; K559-Y616 WeakPolarHBondContact CG-OH 3.1Å; P560-Y616 HydrophobicContact CG-CG 4.1Å; K612-Y616 VanDerWaalsContact O-CB 3.28Å; K612-Y616 WeakPolarHBondContact O-CB 3.25Å; K612-Y616 PolarHBondContact O-N 2.75Å; Q613-Y616 PolarHBondContact O-N 2.72Å; K614-Y616 PolarHBondContact O-N 3.35Å; Y616-L619 PolarHBondContact O-N 2.77Å; Y616-L620 HydrophobicContact CE1-CB 4.41Å; Y616-L620 HydrophobicContact CE1-CD2 3.96Å; Y616-L620 WeakPolarHBondContact O-CB 3.45Å; Y616-L620 PolarHBondContact O-N 3.02Å
617K85.4Confident87.2Confident125 Ų12575.2 Ų75.254%0.54337%0.374SS..Hα-helixtrans-59.6-50.2177.7-178.2-176.6171.5-170.90110.5Q613 K614 L619 L620 E621Q613-K617 PolarHBondContact O-N 3.05Å; K614-K617 PolarHBondContact O-N 3.14Å; K617-L619 PolarHBondContact O-N 2.82Å; K617-L620 PolarHBondContact O-N 3.31Å; K617-E621 WeakPolarHBondContact CE-OE1 3.42Å; K617-E621 VanDerWaalsContact CG-OE1 3.3Å; K617-E621 WeakPolarHBondContact CG-OE1 3.29Å; K617-E621 WeakPolarHBondContact O-CG 3.45Å; K617-E621 PolarHBondContact O-N 3.38Å
618V90Very high86.8Confident74 Ų7470.6 Ų70.645%0.44836%0.361SS..Hα-helixtrans-59-47.4177.7176.60000111.6K614 L620 E621 Q622K614-V618 PolarHBondContact O-N 3.45Å; V618-L620 VanDerWaalsContact C-N 3.32Å; V618-L620 PolarHBondContact O-N 3.4Å; V618-E621 PolarHBondContact O-N 3.28Å; V618-Q622 HydrophobicContact CG1-CG 4.45Å; V618-Q622 WeakPolarHBondContact O-CB 3.46Å; V618-Q622 WeakPolarHBondContact O-CG 3.37Å; V618-Q622 PolarHBondContact O-N 3.15Å
619L87.3Confident86.3Confident92 Ų9272.2 Ų72.248%0.48238%0.377SS..Hα-helixtrans-62.5-37.5177.3-72.2170.6000112.6P557 Q615 Y616 K617 W623P557-L619 HydrophobicContact CB-CB 4.27Å; P557-L619 HydrophobicContact CG-CB 4.05Å; Q615-L619 WeakPolarHBondContact O-CG 3.04Å; Q615-L619 PolarHBondContact O-N 2.79Å; Q615-L619 VanDerWaalsContact O-N 3.13Å; Y616-L619 PolarHBondContact O-N 2.77Å; K617-L619 PolarHBondContact O-N 2.82Å; L619-W623 WeakPolarHBondContact O-CB 3.12Å; L619-W623 PolarHBondContact O-N 3.29Å
620L84.3Confident85.5Confident29 Ų2979.8 Ų79.815%0.15241%0.413CS..Hα-helixtrans-69.1-39177.2-175.668000111.7Y616 K617 V618 W623 L624Y616-L620 HydrophobicContact CE1-CB 4.41Å; Y616-L620 HydrophobicContact CE1-CD2 3.96Å; Y616-L620 WeakPolarHBondContact O-CB 3.45Å; Y616-L620 PolarHBondContact O-N 3.02Å; K617-L620 PolarHBondContact O-N 3.31Å; V618-L620 VanDerWaalsContact C-N 3.32Å; V618-L620 PolarHBondContact O-N 3.4Å; L620-W623 HydrophobicContact CD1-CE3 3.87Å; L620-W623 HydrophobicContact CD1-CZ3 4.15Å; L620-L624 HydrophobicContact CG-CD1 4.19Å; L620-L624 WeakPolarHBondContact O-CB 3.36Å; L620-L624 VanDerWaalsContact O-CG 3.23Å; L620-L624 WeakPolarHBondContact O-CG 3.38Å; L620-L624 PolarHBondContact O-N 2.81Å
621E86.5Confident84.8Confident101 Ų10180.5 Ų80.547%0.47242%0.416SS..Hα-helixtrans-69.5-43.6177.8-74.4167.2-174.400111.8K617 V618 W623 L624 A625K617-E621 WeakPolarHBondContact CE-OE1 3.42Å; K617-E621 VanDerWaalsContact CG-OE1 3.3Å; K617-E621 WeakPolarHBondContact CG-OE1 3.29Å; K617-E621 WeakPolarHBondContact O-CG 3.45Å; K617-E621 PolarHBondContact O-N 3.38Å; V618-E621 PolarHBondContact O-N 3.28Å; E621-W623 PolarHBondContact O-N 2.77Å; E621-L624 PolarHBondContact O-N 3.45Å; E621-A625 WeakPolarHBondContact O-CB 3.22Å; E621-A625 PolarHBondContact O-N 3.27Å
622Q87.1Confident84.2Confident119 Ų11979.4 Ų79.456%0.55641%0.407SS*.Hα-helixtrans-59.4-44.6171.5-72.5175.3-200112V618 A625 S626V618-Q622 HydrophobicContact CG1-CG 4.45Å; V618-Q622 WeakPolarHBondContact O-CB 3.46Å; V618-Q622 WeakPolarHBondContact O-CG 3.37Å; V618-Q622 PolarHBondContact O-N 3.15Å; Q622-A625 WeakPolarHBondContact O-CB 3.36Å; Q622-A625 PolarHBondContact O-N 3.09Å; Q622-S626 PolarHBondContact O-N 3.27Å
623W88.1Confident83.6Confident23 Ų2379.6 Ų79.69%0.08741%0.412CS..Hα-helixtrans-65.4-44.6177.2174.878.8000111.9F553 E554 G555 E556 P557 L619 L620 E621 A625 S626 L627 Y635F553-W623 HydrophobicContact CB-CH2 3.4Å; F553-W623 HydrophobicContact CB-CZ2 3.36Å; F553-W623 AromaticContact CG-CH2 3.97Å; F553-W623 HydrophobicContact CG-CH2 3.97Å; F553-W623 HydrophobicContact CG-CZ2 4.37Å; E554-W623 PolarHBondContact O-NE1 3.26Å; G555-W623 VanDerWaalsContact C-NE1 3.31Å; E556-W623 HydrophobicContact CB-CH2 3.97Å; E556-W623 HydrophobicContact CB-CZ2 3.84Å; E556-W623 HydrophobicContact CB-CZ3 4.46Å; E556-W623 HydrophobicContact CG-CH2 4.06Å; E556-W623 HydrophobicContact CG-CZ2 4.41Å; E556-W623 HydrophobicContact CG-CZ3 4.15Å; P557-W623 HydrophobicContact CG-CB 4.19Å; L619-W623 WeakPolarHBondContact O-CB 3.12Å; L619-W623 PolarHBondContact O-N 3.29Å; L620-W623 HydrophobicContact CD1-CE3 3.87Å; L620-W623 HydrophobicContact CD1-CZ3 4.15Å; E621-W623 PolarHBondContact O-N 2.77Å; W623-A625 VanDerWaalsContact C-N 3.26Å; W623-A625 PolarHBondContact O-N 3.13Å; W623-S626 PolarHBondContact O-N 2.8Å; W623-S626 PolarHBondContact O-OG 3.15Å; W623-L627 HydrophobicContact CD2-CD1 4.47Å; W623-L627 HydrophobicContact CE3-CD1 4.39Å; W623-L627 HydrophobicContact CH2-CD1 3.65Å; W623-L627 HydrophobicContact CZ2-CD1 3.73Å; W623-L627 HydrophobicContact CZ2-CD2 4.35Å; W623-L627 HydrophobicContact CZ2-CG 4.31Å; W623-L627 HydrophobicContact CZ3-CD1 4Å; W623-L627 PolarHBondContact O-N 3.45Å; W623-Y635 AromaticContact CH2-CD2 3.64Å; W623-Y635 HydrophobicContact CH2-CD2 3.64Å; W623-Y635 AromaticContact CH2-CE2 3.63Å; W623-Y635 HydrophobicContact CH2-CE2 3.63Å; W623-Y635 HydrophobicContact CH2-CG 4.49Å; W623-Y635 AromaticContact CZ3-CD2 3.78Å; W623-Y635 HydrophobicContact CZ3-CD2 3.78Å; W623-Y635 HydrophobicContact CZ3-CE1 4.49Å; W623-Y635 AromaticContact CZ3-CE2 3.57Å; W623-Y635 HydrophobicContact CZ3-CE2 3.57Å; W623-Y635 HydrophobicContact CZ3-CG 4.36Å; W623-Y635 AromaticContact CZ3-CZ 3.96Å
624L83.4Confident83.2Confident36 Ų3679.1 Ų79.119%0.18842%0.415CS..Hα-helixtrans-61-33.3173.5-75.6172000112.9L620 E621 L627 R632 Y635L620-L624 HydrophobicContact CG-CD1 4.19Å; L620-L624 WeakPolarHBondContact O-CB 3.36Å; L620-L624 VanDerWaalsContact O-CG 3.23Å; L620-L624 WeakPolarHBondContact O-CG 3.38Å; L620-L624 PolarHBondContact O-N 2.81Å; E621-L624 PolarHBondContact O-N 3.45Å; L624-L627 HydrophobicContact CD2-CD1 4.41Å; L624-R632 VanDerWaalsContact O-CZ 3.26Å; L624-R632 PolarHBondContact O-NE 2.92Å; L624-R632 PolarHBondContact O-NH2 2.89Å; L624-R632 VanDerWaalsContact O-NH2 3.12Å; L624-Y635 HydrophobicContact CD2-CD1 3.58Å; L624-Y635 HydrophobicContact CD2-CE1 3.99Å; L624-Y635 HydrophobicContact CD2-CG 3.93Å
625A84.8Confident82.7Confident66 Ų6672.9 Ų72.955%0.54539%0.387SS..Hα-helixtrans-68.7-34.5173.600000112.5E621 Q622 W623 R632E621-A625 WeakPolarHBondContact O-CB 3.22Å; E621-A625 PolarHBondContact O-N 3.27Å; Q622-A625 WeakPolarHBondContact O-CB 3.36Å; Q622-A625 PolarHBondContact O-N 3.09Å; W623-A625 VanDerWaalsContact C-N 3.26Å; W623-A625 PolarHBondContact O-N 3.13Å; A625-R632 PolarHBondContact O-NH2 3.43Å
626S83.2Confident82.3Confident92 Ų9277.3 Ų77.364%0.64340%0.401SS*.Hα-helixtrans-71.7-24176.875.80000114.5Q622 W623Q622-S626 PolarHBondContact O-N 3.27Å; W623-S626 PolarHBondContact O-N 2.8Å; W623-S626 PolarHBondContact O-OG 3.15Å
627L82.6Confident81.8Confident22 Ų2281.5 Ų81.512%0.11542%0.421CS..SBendtrans-74.5148.5176.4-69.7-177.9000112.6W623 L624 E631 R632W623-L627 HydrophobicContact CD2-CD1 4.47Å; W623-L627 HydrophobicContact CE3-CD1 4.39Å; W623-L627 HydrophobicContact CH2-CD1 3.65Å; W623-L627 HydrophobicContact CZ2-CD1 3.73Å; W623-L627 HydrophobicContact CZ2-CD2 4.35Å; W623-L627 HydrophobicContact CZ2-CG 4.31Å; W623-L627 HydrophobicContact CZ3-CD1 4Å; W623-L627 PolarHBondContact O-N 3.45Å; L624-L627 HydrophobicContact CD2-CD1 4.41Å; L627-E631 HydrophobicContact CB-CB 4.13Å; L627-E631 HydrophobicContact CD1-CB 4.3Å; L627-E631 HydrophobicContact CD2-CB 4.34Å; L627-R632 PolarHBondContact O-NH2 3.27Å
628S83Confident81.5Confident57 Ų5778 Ų7840%0.39941%0.405SS..  trans-63.2160.8173.572.50000112.3Q630 E631 R632S628-Q630 PolarHBondContact O-N 2.86Å; S628-E631 WeakPolarHBondContact CB-OE2 3.09Å; S628-E631 PolarHBondContact N-OE2 2.76Å; S628-E631 PolarHBondContact O-N 2.94Å; S628-E631 VanDerWaalsContact OG-CD 3.32Å; S628-E631 WeakPolarHBondContact OG-CG 3.25Å; S628-E631 PolarHBondContact OG-N 2.94Å; S628-E631 PolarHBondContact OG-OE2 3.21Å; S628-R632 WeakPolarHBondContact O-CB 3.39Å; S628-R632 PolarHBondContact O-N 3.21Å
629S76.5Confident80.3Confident89 Ų8977.1 Ų77.162%0.62240%0.398SS*.Hα-helixtrans-57.5-34.7178.6-168.90000112.7N633S629-N633 WeakPolarHBondContact O-CB 3.38Å; S629-N633 VanDerWaalsContact O-CG 3.26Å; S629-N633 PolarHBondContact O-N 2.92Å; S629-N633 VanDerWaalsContact O-N 3.16Å; S629-N633 PolarHBondContact O-ND2 3.13Å
630Q73.4Confident79.4Confident160 Ų16076.1 Ų76.175%0.74840%0.399SS*.Hα-helixtrans-69.5-46.7177.9-171.1170-10.400111.5S628 N633 T634S628-Q630 PolarHBondContact O-N 2.86Å; Q630-N633 PolarHBondContact O-N 3.22Å; Q630-T634 PolarHBondContact O-N 3.3Å
631E77.4Confident78.4Confident90 Ų9080 Ų8042%0.42142%0.416SS..Hα-helixtrans-67.8-37.5177.9-65.8162.4120.900112.5L627 S628 N633 T634 Y635L627-E631 HydrophobicContact CB-CB 4.13Å; L627-E631 HydrophobicContact CD1-CB 4.3Å; L627-E631 HydrophobicContact CD2-CB 4.34Å; S628-E631 WeakPolarHBondContact CB-OE2 3.09Å; S628-E631 PolarHBondContact N-OE2 2.76Å; S628-E631 PolarHBondContact O-N 2.94Å; S628-E631 VanDerWaalsContact OG-CD 3.32Å; S628-E631 WeakPolarHBondContact OG-CG 3.25Å; S628-E631 PolarHBondContact OG-N 2.94Å; S628-E631 PolarHBondContact OG-OE2 3.21Å; E631-N633 VanDerWaalsContact C-N 3.25Å; E631-N633 PolarHBondContact O-N 3.44Å; E631-T634 PolarHBondContact O-N 3.06Å; E631-T634 PolarHBondContact O-OG1 3.36Å; E631-T634 VanDerWaalsContact O-OG1 3.1Å; E631-Y635 WeakPolarHBondContact O-CB 3.41Å; E631-Y635 PolarHBondContact O-N 3.32Å
632R78.3Confident77Confident85 Ų8580.5 Ų80.532%0.32142%0.417SS..Hα-helixtrans-61.7-36174.7-166.4179.7-59.4167.110111.5L624 A625 L627 S628 R636L624-R632 VanDerWaalsContact O-CZ 3.26Å; L624-R632 PolarHBondContact O-NE 2.92Å; L624-R632 PolarHBondContact O-NH2 2.89Å; L624-R632 VanDerWaalsContact O-NH2 3.12Å; A625-R632 PolarHBondContact O-NH2 3.43Å; L627-R632 PolarHBondContact O-NH2 3.27Å; S628-R632 WeakPolarHBondContact O-CB 3.39Å; S628-R632 PolarHBondContact O-N 3.21Å; R632-R636 WeakPolarHBondContact O-CG 3.26Å; R632-R636 PolarHBondContact O-N 2.86Å
633N76.1Confident75.1Confident96 Ų9686.1 Ų86.151%0.51343%0.433SS..Hα-helixtrans-73-43.5175-74-20.6000112.3S629 Q630 E631 Y635 R636 E637S629-N633 WeakPolarHBondContact O-CB 3.38Å; S629-N633 VanDerWaalsContact O-CG 3.26Å; S629-N633 PolarHBondContact O-N 2.92Å; S629-N633 VanDerWaalsContact O-N 3.16Å; S629-N633 PolarHBondContact O-ND2 3.13Å; Q630-N633 PolarHBondContact O-N 3.22Å; E631-N633 VanDerWaalsContact C-N 3.25Å; E631-N633 PolarHBondContact O-N 3.44Å; N633-Y635 VanDerWaalsContact C-N 3.3Å; N633-Y635 PolarHBondContact O-N 2.55Å; N633-R636 PolarHBondContact O-N 2.87Å; N633-E637 PolarHBondContact O-N 3.22Å
634T78.6Confident72.9Confident63 Ų6393.9 Ų93.939%0.38746%0.462SS..Hα-helixtrans-65.9-31.9175.664.50000112.5Q630 E631 Y638Q630-T634 PolarHBondContact O-N 3.3Å; E631-T634 PolarHBondContact O-N 3.06Å; E631-T634 PolarHBondContact O-OG1 3.36Å; E631-T634 VanDerWaalsContact O-OG1 3.1Å; T634-Y638 VanDerWaalsContact O-CB 3.24Å; T634-Y638 WeakPolarHBondContact O-CB 3.49Å; T634-Y638 PolarHBondContact O-N 3.26Å
635Y78.8Confident70.5Confident13 Ų1395.7 Ų95.75%0.05148%0.483CS..Hα-helixtrans-63.3-46.5171.5-170.9-90.9000112.5F553 E556 W623 L624 E631 N633 N639F553-Y635 AromaticContact CD1-CD2 3.95Å; F553-Y635 HydrophobicContact CD1-CD2 3.95Å; F553-Y635 AromaticContact CD2-CD2 3.44Å; F553-Y635 HydrophobicContact CD2-CD2 3.44Å; F553-Y635 VanDerWaalsContact CD2-CD2 3.44Å; F553-Y635 AromaticContact CD2-CE2 3.63Å; F553-Y635 HydrophobicContact CD2-CE2 3.63Å; F553-Y635 AromaticContact CE1-CD2 3.91Å; F553-Y635 HydrophobicContact CE1-CD2 3.91Å; F553-Y635 HydrophobicContact CE1-CG 4.49Å; F553-Y635 AromaticContact CE2-CD2 3.41Å; F553-Y635 HydrophobicContact CE2-CD2 3.41Å; F553-Y635 VanDerWaalsContact CE2-CD2 3.41Å; F553-Y635 AromaticContact CE2-CE2 3.8Å; F553-Y635 HydrophobicContact CE2-CE2 3.8Å; F553-Y635 HydrophobicContact CE2-CG 4.42Å; F553-Y635 AromaticContact CG-CD2 3.73Å; F553-Y635 HydrophobicContact CG-CD2 3.73Å; F553-Y635 HydrophobicContact CG-CE2 4.21Å; F553-Y635 AromaticContact CZ-CD2 3.65Å; F553-Y635 HydrophobicContact CZ-CD2 3.65Å; F553-Y635 HydrophobicContact CZ-CE2 4.47Å; F553-Y635 HydrophobicContact CZ-CG 4.31Å; E556-Y635 HydrophobicContact CG-CE2 4.48Å; E556-Y635 WeakPolarHBondContact OE1-CE2 3.22Å; E556-Y635 PolarHBondContact OE1-OH 2.65Å; W623-Y635 AromaticContact CH2-CD2 3.64Å; W623-Y635 HydrophobicContact CH2-CD2 3.64Å; W623-Y635 AromaticContact CH2-CE2 3.63Å; W623-Y635 HydrophobicContact CH2-CE2 3.63Å; W623-Y635 HydrophobicContact CH2-CG 4.49Å; W623-Y635 AromaticContact CZ3-CD2 3.78Å; W623-Y635 HydrophobicContact CZ3-CD2 3.78Å; W623-Y635 HydrophobicContact CZ3-CE1 4.49Å; W623-Y635 AromaticContact CZ3-CE2 3.57Å; W623-Y635 HydrophobicContact CZ3-CE2 3.57Å; W623-Y635 HydrophobicContact CZ3-CG 4.36Å; W623-Y635 AromaticContact CZ3-CZ 3.96Å; L624-Y635 HydrophobicContact CD2-CD1 3.58Å; L624-Y635 HydrophobicContact CD2-CE1 3.99Å; L624-Y635 HydrophobicContact CD2-CG 3.93Å; E631-Y635 WeakPolarHBondContact O-CB 3.41Å; E631-Y635 PolarHBondContact O-N 3.32Å; N633-Y635 VanDerWaalsContact C-N 3.3Å; N633-Y635 PolarHBondContact O-N 2.55Å; Y635-N639 WeakPolarHBondContact CE1-ND2 3.47Å; Y635-N639 PolarHBondContact O-N 3.06Å; Y635-N639 VanDerWaalsContact O-N 3.14Å; Y635-N639 PolarHBondContact OH-ND2 3.43Å
636R76.1Confident68.1Low165 Ų16598.5 Ų98.562%0.62350%0.495SS*.Hα-helixtrans-61-47.9176.4-76.1175.9175-147.1-2.8110.7R632 N633 N639 S640R632-R636 WeakPolarHBondContact O-CG 3.26Å; R632-R636 PolarHBondContact O-N 2.86Å; N633-R636 PolarHBondContact O-N 2.87Å; R636-N639 PolarHBondContact O-N 3.29Å; R636-S640 PolarHBondContact O-N 2.88Å; R636-S640 PolarHBondContact O-OG 3.48Å; R636-S640 VanDerWaalsContact O-OG 3.05Å
637E77.9Confident65.6Low114 Ų11498.7 Ų98.753%0.53350%0.502SS..Hα-helixtrans-63.6-45.5179.3-160.7-169.515800112.3N633 N639 S640 Q641N633-E637 PolarHBondContact O-N 3.22Å; E637-N639 VanDerWaalsContact C-N 3.35Å; E637-N639 PolarHBondContact O-N 2.75Å; E637-S640 CarbonylContact O-C 3.53Å; E637-S640 WeakPolarHBondContact O-CA 3.32Å; E637-S640 WeakPolarHBondContact O-CB 3.18Å; E637-S640 PolarHBondContact O-N 3.36Å; E637-Q641 HydrophobicContact CG-CG 4.41Å; E637-Q641 WeakPolarHBondContact O-CG 3.35Å; E637-Q641 PolarHBondContact O-N 3.14Å; E637-Q641 PolarHBondContact OE1-NE2 3.14Å
638Y77.3Confident63Low51 Ų51107.2 Ų107.220%0.254%0.538CS..Hα-helixtrans-57.4-45.1178.3176.5-105000112.3M551 F553 T634 Q641 K642M551-Y638 HydrophobicContact CB-CD1 4.22Å; M551-Y638 HydrophobicContact CB-CD2 4.07Å; M551-Y638 HydrophobicContact CB-CE1 3.81Å; M551-Y638 HydrophobicContact CB-CE2 3.66Å; M551-Y638 HydrophobicContact CB-CG 4.34Å; M551-Y638 HydrophobicContact CE-CD2 3.77Å; M551-Y638 HydrophobicContact CE-CE2 4.5Å; M551-Y638 HydrophobicContact CE-CG 3.86Å; M551-Y638 PolarHBondContact N-OH 2.81Å; M551-Y638 HydrophobicContact SD-CD2 4.34Å; F553-Y638 AromaticContact CE2-CD1 3.78Å; F553-Y638 HydrophobicContact CE2-CD1 3.78Å; F553-Y638 HydrophobicContact CE2-CE1 4.32Å; F553-Y638 HydrophobicContact CE2-CG 4.32Å; F553-Y638 HydrophobicContact CZ-CD1 4.15Å; F553-Y638 HydrophobicContact CZ-CG 4.25Å; T634-Y638 VanDerWaalsContact O-CB 3.24Å; T634-Y638 WeakPolarHBondContact O-CB 3.49Å; T634-Y638 PolarHBondContact O-N 3.26Å; Y638-Q641 PolarHBondContact O-N 3.05Å; Y638-K642 HydrophobicContact CE1-CD 4.49Å; Y638-K642 WeakPolarHBondContact O-CB 3.44Å; Y638-K642 PolarHBondContact O-N 3.35Å
639N66.5Low60.6Low56 Ų56110.8 Ų110.830%0.29956%0.56SS.*Hα-helixtrans-68.4-32.7175.4-87.4-49.3000112.8Y635 R636 E637 K642 R643Y635-N639 WeakPolarHBondContact CE1-ND2 3.47Å; Y635-N639 PolarHBondContact O-N 3.06Å; Y635-N639 VanDerWaalsContact O-N 3.14Å; Y635-N639 PolarHBondContact OH-ND2 3.43Å; R636-N639 PolarHBondContact O-N 3.29Å; E637-N639 VanDerWaalsContact C-N 3.35Å; E637-N639 PolarHBondContact O-N 2.75Å; N639-K642 PolarHBondContact O-N 2.7Å; N639-R643 PolarHBondContact O-N 3.38Å
640S68.2Low58.3Low72 Ų72110.6 Ų110.650%0.50357%0.572SS.*Hα-helixtrans-67-43.5172.9-63.50000112.8R636 E637 K642 R643 R644R636-S640 PolarHBondContact O-N 2.88Å; R636-S640 PolarHBondContact O-OG 3.48Å; R636-S640 VanDerWaalsContact O-OG 3.05Å; E637-S640 CarbonylContact O-C 3.53Å; E637-S640 WeakPolarHBondContact O-CA 3.32Å; E637-S640 WeakPolarHBondContact O-CB 3.18Å; E637-S640 PolarHBondContact O-N 3.36Å; S640-K642 VanDerWaalsContact C-N 3.28Å; S640-K642 PolarHBondContact O-N 3.33Å; S640-R643 PolarHBondContact O-N 3.42Å; S640-R644 PolarHBondContact O-N 2.88Å
641Q62.8Low56.1Low110 Ų110106.9 Ų106.951%0.51458%0.577SS.*Hα-helixtrans-61.3-38.7174.1-68.217912.700111E637 Y638 R643 R644E637-Q641 HydrophobicContact CG-CG 4.41Å; E637-Q641 WeakPolarHBondContact O-CG 3.35Å; E637-Q641 PolarHBondContact O-N 3.14Å; E637-Q641 PolarHBondContact OE1-NE2 3.14Å; Y638-Q641 PolarHBondContact O-N 3.05Å; Q641-R643 VanDerWaalsContact C-N 3.32Å; Q641-R643 PolarHBondContact O-N 3Å; Q641-R644 WeakPolarHBondContact O-CA 3.41Å; Q641-R644 WeakPolarHBondContact O-CB 3.45Å; Q641-R644 PolarHBondContact O-N 3.14Å
642K56.7Low53.8Low112 Ų112107.6 Ų107.649%0.48760%0.598SS.*Hα-helixtrans-65-29.7178-163173.1-171.51690114.1Y638 N639 S640 R644Y638-K642 HydrophobicContact CE1-CD 4.49Å; Y638-K642 WeakPolarHBondContact O-CB 3.44Å; Y638-K642 PolarHBondContact O-N 3.35Å; N639-K642 PolarHBondContact O-N 2.7Å; S640-K642 VanDerWaalsContact C-N 3.28Å; S640-K642 PolarHBondContact O-N 3.33Å; K642-R644 VanDerWaalsContact C-N 3.29Å
643R48Very low51.6Low236 Ų236113.8 Ų113.889%0.89163%0.627SS**THydrogen-bonded Turntrans-75.9-11.5170.3-72.6-172.9176-166.6-0.6113.6N639 S640 Q641N639-R643 PolarHBondContact O-N 3.38Å; S640-R643 PolarHBondContact O-N 3.42Å; Q641-R643 VanDerWaalsContact C-N 3.32Å; Q641-R643 PolarHBondContact O-N 3Å
644R42.4Very low49.3Very low186 Ų186114.1 Ų114.170%0.70264%0.643SS**THydrogen-bonded Turntrans-99.77.4-177.8-74-179.2156.8-148.4-13.2114.6S640 Q641 K642S640-R644 PolarHBondContact O-N 2.88Å; Q641-R644 WeakPolarHBondContact O-CA 3.41Å; Q641-R644 WeakPolarHBondContact O-CB 3.45Å; Q641-R644 PolarHBondContact O-N 3.14Å; K642-R644 VanDerWaalsContact C-N 3.29Å
645A32.1Very low46.8Very low75 Ų75120.1 Ų120.162%0.6266%0.664SS**PPolyproline II helixtrans-68124.1174.100000110.6A647A645-A647 PolarHBondContact O-N 3.27Å
646P33.5Very low44.4Very low125 Ų125126.3 Ų126.381%0.81270%0.696SS**PPolyproline II helixtrans-70.3132.1-175.327.3-34.4000111.9
647A31.4Very low41.9Very low95 Ų95127.8 Ų127.879%0.78571%0.707SS**PPolyproline II helixtrans-64.4140.6172.600000111.1A645A645-A647 PolarHBondContact O-N 3.27Å
648K27.4Very low39.3Very low202 Ų202129.8 Ų129.888%0.87871%0.714SS**PPolyproline II helixtrans-75.1129.4172.7-77.3-177.4175.4178.20110.1
649P33.7Very low36.7Very low132 Ų132132.8 Ų132.886%0.85774%0.743SS**PPolyproline II helixtrans-75.2128.2170.230.4-32.7000110.4
650G28.7Very low34.7Very low85 Ų85135.7 Ų135.788%0.87676%0.758SS**  trans141.583.6171.700000115.2
651G26.4Very low32.6Very low81 Ų81138.9 Ų138.984%0.83578%0.775SS**  trans-152.1141.116700000108.8
652A29.5Very low30.8Very low105 Ų105142 Ų14287%0.86879%0.789SS**  trans-88.8163.5-169.600000113.6
653K32.2Very low29.2Very low216 Ų216145 Ų14594%0.93981%0.805SS**  trans-59.7142.3178.6-63-175.1177.7-1740112.1
654A26.5Very low28.6Very low102 Ų102141.9 Ų141.984%0.84380%0.8SS**  trans-123.9151154.500000108.3
655K27.6Very low27.7Very low189 Ų189142.3 Ų142.382%0.82281%0.81SS**  trans-103.7140.5-175.4-99.6-172.7167.1-167.80111.3
656I27.8Very low27.5Very low143 Ų143146.2 Ų146.273%0.73382%0.821SS**  trans55.4114.6139.9-55.6169.2000117.4
657K22.8Very low27.3Very low197 Ų197146.6 Ų146.686%0.85782%0.816SS**  -162.2147.693.3-149.3179.1-179.1-1740111
658K24.4Very low27.2Very low156 Ų156150.2 Ų150.268%0.67882%0.822SS**  trans-76.8150.6164.9-106.9-173.7162.3-118.60110.1D660K658-D660 IonicContact NZ-OD1 3.65Å; K658-D660 PolarHBondContact NZ-OD1 3.15Å; K658-D660 IonicContact NZ-OD2 2.8Å; K658-D660 PolarHBondContact NZ-OD2 3.27Å
659S23.1Very low27.2Very low114 Ų114148.3 Ų148.380%0.79782%0.822SS**  trans-156.3106.9153.5540000106.1
660D24.2Very low26.9Very low117 Ų117149.7 Ų149.763%0.62682%0.822SS**  trans-82.3132.8-177.1-58.2-74.2000110K658K658-D660 IonicContact NZ-OD1 3.65Å; K658-D660 PolarHBondContact NZ-OD1 3.15Å; K658-D660 IonicContact NZ-OD2 2.8Å; K658-D660 PolarHBondContact NZ-OD2 3.27Å
661T23.1Very low26.9Very low138 Ų138153 Ų15385%0.84781%0.814SS**  trans-164.7110.1156.4-11.40000107.9
662E24.7Very low26.9Very low176 Ų176156 Ų15682%0.82281%0.807SS**  trans-70.4161.8148.6-67.6162.8165.300106
663E24.9Very low26.8Very low175 Ų175159.3 Ų159.382%0.81880%0.804SS**  cis-148.3148.449.2-85.6162.7-176.100108.5
664E34.7Very low26.5Very low170 Ų170158.6 Ų158.679%0.79480%0.801SS**  56.7107.980.9-59.8-64.1162.300114.3
665E24.3Very low26.5Very low195 Ų195158.1 Ų158.191%0.91180%0.797SS**  trans-149.2101.6160.8-83.2-171.8162.100107.4
666D26.3Very low26.3Very low157 Ų157154.6 Ų154.684%0.8480%0.796SS**  trans-88.9162.1156.5-124.3-20.1000108.2
667D30.1Very low26.2Very low134 Ų134153 Ų15372%0.71780%0.798SS**  trans-71.1137.4-177.2-66-64.2000112.4
668D28.1Very low26.3Very low171 Ų171152.2 Ų152.291%0.91480%0.797SS**  -172.5157.6122.2-103.1-27.5000114
669D28.7Very low26.3Very low161 Ų161148.9 Ų148.986%0.86180%0.799SS**  trans-83.7146.6173.4-85.2-53.2000111.8
670D27.5Very low26.3Very low161 Ų161150.1 Ų150.186%0.86180%0.796SS**  -165.6172.8119.6-133-35.6000113.3
671E28.5Very low26.3Very low154 Ų154149.5 Ų149.572%0.7280%0.802SS**  trans-91.1154.2-166.1-60.5-161.295.100118.5
672Q26.5Very low26.4Very low146 Ų146148 Ų14868%0.68280%0.796SS**  trans89.1158133.2-100167.772.600123.8
673E27.7Very low26.5Very low173 Ų173143.8 Ų143.881%0.80879%0.787SS**  trans70.4150.1171.9-66.5-58.196.200121.4
674K25.6Very low26.5Very low202 Ų202143.8 Ų143.888%0.87879%0.787SS**  trans-129.5137.1-172-74.6-170176.8-169.70113.1
675A25.8Very low26.1Very low92 Ų92144.2 Ų144.276%0.7679%0.789SS**  trans-176.5128.4131.800000108.3
676S24Very low26.2Very low114 Ų114141.8 Ų141.880%0.79778%0.782SS**  cis90.268.233.583.30000116.5
677S25.9Very low26.1Very low109 Ų109141.4 Ų141.476%0.76278%0.78SS**  trans-170.8111.7149.452.30000108.3
678E24.1Very low26Very low182 Ų182143.1 Ų143.185%0.8578%0.783SS**  89.1120.466-78.9-68.5168.600113.7
679A25.6Very low26Very low86 Ų86141.9 Ų141.971%0.71178%0.777SS**  trans62.2155.3163.200000118.3
680D22Very low26Very low139 Ų139142.8 Ų142.874%0.74378%0.776SS**  cis-160.1166.9-9.4-144.9-54000109.8
681S25.3Very low26.1Very low105 Ų105142 Ų14273%0.73477%0.772SS**  trans49.5159.5144.2-74.70000122.3
682S24.9Very low26Very low105 Ų105141.9 Ų141.973%0.73478%0.776SS**  cis-174.4-178.8-19.6-174.20000107.5
683S25.5Very low26.1Very low89 Ų89141.7 Ų141.762%0.62278%0.78SS**  trans77.1135.1172.6-111.80000114.7
684E25.1Very low26.1Very low175 Ų175139.8 Ų139.882%0.81878%0.775SS**  cis65.1133.431.9-48.1179.2157.400110.7
685E27Very low26.2Very low179 Ų179136 Ų13684%0.83676%0.764SS**  cis-129.315931-65.3151-164.500109.7
686D25.3Very low26.3Very low144 Ų144137.2 Ų137.277%0.7776%0.758SS**  cis91.4172.339.7-131.8-9.7000114.3
687D25.4Very low26.6Very low149 Ų149140 Ų14080%0.79776%0.759SS**  trans79.8117.3-160.1-61.4-20.6000112.8
688E28Very low26.9Very low169 Ų169143.1 Ų143.179%0.7977%0.767SS**  cis72.7129.441.4-56.1-164.9162.600113.7
689D28Very low27.3Very low145 Ų145142.3 Ų142.378%0.77577%0.768SS**  cis-132.8-131.9-10.4-154.216.3000110.9
690E29.3Very low27.5Very low180 Ų180145.6 Ų145.684%0.84177%0.774SS**  cis-150.5164.97.1-165.9176.3-159.300108.4
691D28.5Very low27.9Very low146 Ų146145.7 Ų145.778%0.78177%0.774SS**  trans-65.7171.5-178.8-78.1-47.1000114.2
692D26.9Very low28.3Very low151 Ų151149.4 Ų149.481%0.80778%0.78SS**  -166170.857.8-160.13.4000113.8
693D28Very low28.6Very low141 Ų141152.6 Ų152.675%0.75479%0.789SS**  trans-62.8171.9178.4-87.5-41.1000112.5
694D28Very low28.9Very low134 Ų134155.5 Ų155.572%0.71780%0.797SS**  cis-169177.643.8-152.6-5000113.5
695N26.8Very low29.2Very low122 Ų122153.3 Ų153.365%0.65279%0.791SS**  trans-7.8162150.2-101.53.5000122
696D29Very low29.4Very low117 Ų117151.7 Ų151.763%0.62679%0.789SS**  cis-159.7-173.53.1-144.5-30.8000111.9
697E30.3Very low29.7Very low174 Ų174150.7 Ų150.781%0.81378%0.783SS**  trans76.7130.4146.1-77.8174.2164.600121.3
698D32.3Very low30Very low173 Ų173150.8 Ų150.893%0.92578%0.784SS**  trans-79.6148.2166.9-67.7-72.1000110.2
699D31.3Very low30.2Very low166 Ų166148.6 Ų148.689%0.88878%0.777SS**  trans-130.7147.6169.6-157.1-0.9000111.4
700D31.4Very low30.4Very low154 Ų154150.4 Ų150.482%0.82478%0.781SS**  trans-91.8127.3-166.9-95.8-48.9000112.6E702D700-E702 PolarHBondContact O-N 3.22Å
701D30.4Very low30.6Very low141 Ų141147.1 Ų147.175%0.75477%0.773SS**  trans-64.488.9175.2-97.6-34.4000110.6R72R72-D701 IonicContact NH2-OD2 2.83Å; R72-D701 PolarHBondContact NH2-OD2 3.22Å; R72-D701 VanDerWaalsContact NH2-OD2 3.1Å
702E33.7Very low30.8Very low183 Ų183144.8 Ų144.886%0.85576%0.761SS**  trans-79.8141.9165.3-70.4-148.1136.500112.3D700 D704D700-E702 PolarHBondContact O-N 3.22Å; E702-D704 PolarHBondContact O-N 3.21Å
703D30.5Very low31Very low173 Ų173142.3 Ų142.393%0.92575%0.747SS**  trans-83.289.3-176.1-89.6-48.7000112.4D705D703-D705 PolarHBondContact O-N 3.09Å
704D30.9Very low31.5Very low149 Ų149144.2 Ų144.280%0.79775%0.749SS**  trans-78.2111.5168.8-91.4-35.8000113E702E702-D704 PolarHBondContact O-N 3.21Å
705D32.3Very low31.6Very low129 Ų129146.5 Ų146.569%0.6976%0.756SS**  trans-99.192168.1-104.9-27.8000109.6K185 D703K185-D705 IonicContact NZ-OD1 3.24Å; K185-D705 PolarHBondContact NZ-OD1 2.9Å; D703-D705 PolarHBondContact O-N 3.09Å
706D32Very low31.9Very low146 Ų146148.3 Ų148.378%0.78177%0.765SS**  trans54100.3166.5-75.1-48.3000118.8
707D31.1Very low31.9Very low123 Ų123150.7 Ų150.766%0.65877%0.77SS**  trans-67.2148157.4-88.6-49000113.2
708D32Very low32.1Very low150 Ų150146.4 Ų146.480%0.80276%0.759SS**  trans-127.275.6167.5-148.417.9000107.1E710D708-E710 PolarHBondContact O-N 3.1Å
709D31.4Very low32Very low123 Ų123143.6 Ų143.666%0.65874%0.744SS**  trans-62.199.2-174.5-86.9-49.7000113.1
710E32.3Very low31.9Very low183 Ų183142.8 Ų142.886%0.85574%0.74SS**  trans-100.9106.6148.2-72-154.4145.100109.4D708D708-E710 PolarHBondContact O-N 3.1Å
711V33.9Very low31.8Very low112 Ų112143.4 Ų143.468%0.67974%0.743SS**  trans-86.5172.2175-66.90000112.1
712D32.9Very low31.7Very low96 Ų96143.1 Ų143.151%0.51374%0.741SS.*  trans70.7143.4-176.7-68.1-33.4000115.3
713D30.3Very low31.5Very low99 Ų99138.7 Ų138.753%0.52973%0.731SS.*  cis-148154.44-144.1-23.6000111.6K136K136-D713 WeakPolarHBondContact CD-OD2 3.35Å; K136-D713 WeakPolarHBondContact CE-OD2 3.14Å; K136-D713 IonicContact NZ-OD1 3.22Å; K136-D713 PolarHBondContact NZ-OD1 2.86Å; K136-D713 IonicContact NZ-OD2 3.84Å; K136-D713 PolarHBondContact NZ-OD2 2.67Å
714K37.9Very low31.4Very low181 Ų181135 Ų13579%0.78772%0.719SS**  trans-102.3129161.7-83-178.7177.9174.30107.9
715E30.4Very low31.3Very low183 Ų183132.8 Ų132.886%0.85572%0.715SS**  trans-168.8153.3136.5-112.2154.9-15800113.9
716N32.6Very low31.1Very low159 Ų159133.6 Ų133.685%0.8572%0.719SS**  trans-95.1143.8177-86.9-10.4000111.1
717K30.5Very low31Very low167 Ų167130.7 Ų130.773%0.72671%0.71SS**  trans-162105.1140.5-138.8160.2168.131.80108.2D719K717-D719 IonicContact NZ-OD1 2.59Å; K717-D719 PolarHBondContact NZ-OD1 3.22Å; K717-D719 IonicContact NZ-OD2 3.92Å
718S33.2Very low30.8Very low85 Ų85131.5 Ų131.559%0.59472%0.715SS**  81.8167.953.685.10000113.4
719D29.8Very low30.6Very low114 Ų114129.3 Ų129.361%0.6171%0.711SS**  trans79.8130.7177.9-33.4-6.6000113.5K717K717-D719 IonicContact NZ-OD1 2.59Å; K717-D719 PolarHBondContact NZ-OD1 3.22Å; K717-D719 IonicContact NZ-OD2 3.92Å
720D30.8Very low30.6Very low148 Ų148127.5 Ų127.579%0.79171%0.713SS**  cis-170.1153.2-32.9-105.5-41.7000108
721D28.7Very low30.5Very low168 Ų168127 Ų12790%0.89871%0.711SS**  trans-173163.7137.2-127.4-45.7000113.4
722D28.8Very low30.5Very low134 Ų134126.6 Ų126.672%0.71771%0.713SS**  trans-103.5164.7-153.5-157.2-81.7000116.5
723S28.2Very low30.7Very low91 Ų91128.1 Ų128.164%0.63673%0.731SS**  trans108.7113.8137.2-103.90000123.7
724S29.1Very low31Very low96 Ų96132.6 Ų132.667%0.67175%0.749SS**  74.991.7118.6-59.10000121.3
725S29.4Very low31.1Very low102 Ų102128.9 Ų128.971%0.71375%0.746SS**  61.9114.6115.173.10000121.9
726D27.2Very low31.7Very low146 Ų146126.7 Ų126.778%0.78174%0.74SS**  86.7139.6124.8-114.8-62.4000124.3
727S29.4Very low32.3Very low84 Ų84124.3 Ų124.359%0.58774%0.736SS**  trans69.1109.9143.9-79.50000123.4
728N26.8Very low32.9Very low141 Ų141127.3 Ų127.375%0.75476%0.76SS**  92.1126.1123.9-72.3-36.3000123.1
729S29.8Very low32.9Very low104 Ų104129.4 Ų129.473%0.72777%0.768SS**  trans76.8130.8135.5-63.50000121.7
730A29.8Very low33.1Very low85 Ų85130.2 Ų130.270%0.70278%0.776SS**  trans68.8154.8141.200000118.4
731E31.6Very low33.2Very low171 Ų171129.2 Ų129.280%0.79978%0.775SS**  cis-158.9162.8-23.152.7-16899.100110.5
732S32.8Very low33.5Very low104 Ų104126.9 Ų126.973%0.72777%0.768SS**  trans21.1116.7155.6-51.10000120.7
733S36.5Very low33.7Very low129 Ų129126.5 Ų126.590%0.90277%0.771SS**  trans-151.6120.6139.5-52.80000110.8
734E38.4Very low34.1Very low193 Ų193128.9 Ų128.990%0.90278%0.78SS**  trans-100.1139.4168.6-60.7166.9114.700108.9
735S38.7Very low34.5Very low103 Ų103131.2 Ų131.272%0.7279%0.788SS**  169.7139.4118.6-115.60000114.1
736D42.7Very low34.9Very low136 Ų136133.5 Ų133.573%0.72779%0.794SS**  trans46137.1137.4-67.2-85.7000125.5
737S46.2Very low35.5Very low109 Ų109132.4 Ų132.476%0.76280%0.795SS**  trans65.3144.5154.1-58.40000118.9
738D43.3Very low36.1Very low230 Ų230136.8 Ų136.8100%1.2381%0.814SS**  cis-123.709-149.7-105000111.2

Retrieved 738 of 738 residues in 1038.5 ms (Link to these results)

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