A0A087WVI3_HUMAN Loading...

Deuterosome assembly protein 1

AlphaFold DB , UniProt , Accession A0A087WVI3, Species HUMAN (Homo sapiens, Human), Gene DEUP1, Length 599 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
1M39.8Very low45.2Very low239 Ų239140.5 Ų140.5100%1.17777%0.769SS**  0111.30-69.5-174.5-87.600105.9
2E40.7Very low47.4Very low172 Ų172133.8 Ų133.880%0.80474%0.74SS**  cis-138.5138.16-83.5166.9109.700112.6
3N40.5Very low49.5Very low144 Ų144131.3 Ų131.377%0.7773%0.734SS**  trans40.2104.6145-56.1-12.7000120.1A5N3-A5 PolarHBondContact O-N 3.33Å
4Q46.1Very low51.8Low179 Ų179128.4 Ų128.484%0.83673%0.725SS**  trans-48.7130.4137.9-70.8167.2-50.300110.2
5A40.3Very low54.2Low80 Ų80126.8 Ų126.866%0.66171%0.709SS**  trans-131.9104.2155.400000107.2N3 N7N3-A5 PolarHBondContact O-N 3.33Å; A5-N7 VanDerWaalsContact C-N 3.29Å; A5-N7 PolarHBondContact O-N 2.85Å
6H46.5Very low56.1Low155 Ų155121.6 Ų121.672%0.71869%0.687SS**  trans-68.191.2170.6-80.2-71.6000108.8T8H6-T8 PolarHBondContact O-N 3.27Å
7N41.9Very low58.1Low145 Ų145121.5 Ų121.578%0.77568%0.68SS**  trans-78.156.7160.7-75.4-16.4000109.9A5 M9A5-N7 VanDerWaalsContact C-N 3.29Å; A5-N7 PolarHBondContact O-N 2.85Å; N7-M9 PolarHBondContact O-N 3.41Å
8T45.8Very low60.1Low119 Ų119120.7 Ų120.773%0.7367%0.673SS**  trans-70.166.5146.743.80000107.3H6 G10H6-T8 PolarHBondContact O-N 3.27Å; T8-G10 PolarHBondContact O-N 3Å
9M49.3Very low61.8Low171 Ų171120.9 Ų120.984%0.84267%0.668SS**  trans-72.492167.4-164.2165.2-178.500104.2N7 T11N7-M9 PolarHBondContact O-N 3.41Å; M9-T11 PolarHBondContact O-N 2.92Å; M9-T11 VanDerWaalsContact O-N 3.12Å
10G52.6Low63.3Low66 Ų66120.6 Ų120.668%0.6866%0.662SS**PPolyproline II helixtrans-54122.4-177.100000108.7T8 S12T8-G10 PolarHBondContact O-N 3Å; G10-S12 PolarHBondContact O-N 3.34Å
11T53.8Low64.8Low75 Ų75119.4 Ų119.446%0.4665%0.654SS.*PPolyproline II helixtrans-46.9134.2166.2390000107.5M9 E15M9-T11 PolarHBondContact O-N 2.92Å; M9-T11 VanDerWaalsContact O-N 3.12Å; T11-E15 HydrophobicContact CG2-CG 4.19Å
12S71.6Confident67.4Low61 Ų61113.4 Ų113.443%0.42762%0.624SS.*PPolyproline II helixtrans-58.2148.9178.772.70000108.6G10 C14 E15 A16G10-S12 PolarHBondContact O-N 3.34Å; S12-C14 PolarHBondContact O-N 3.49Å; S12-E15 PolarHBondContact N-OE2 3.31Å; S12-E15 WeakPolarHBondContact O-CA 3.46Å; S12-E15 WeakPolarHBondContact O-CB 3.48Å; S12-E15 PolarHBondContact O-N 3.37Å; S12-E15 WeakPolarHBondContact OG-CB 3.29Å; S12-E15 PolarHBondContact OG-N 2.84Å; S12-A16 PolarHBondContact O-N 2.96Å; S12-A16 VanDerWaalsContact O-N 3.11Å
13P74.6Confident70Confident101 Ų101111 Ų11166%0.65661%0.614SS**Hα-helixtrans-50.9-38.7-177.4-3035.9000113.1E15 A16 E17P13-E15 PolarHBondContact O-N 3.02Å; P13-A16 PolarHBondContact O-N 3.01Å; P13-E17 WeakPolarHBondContact O-CB 3.43Å; P13-E17 VanDerWaalsContact O-CG 3.31Å; P13-E17 WeakPolarHBondContact O-CG 3.36Å; P13-E17 PolarHBondContact O-N 3.22Å
14C80.9Confident72.7Confident90 Ų90108.9 Ų108.961%0.60860%0.599SS**Hα-helixtrans-61.3-35.7173.8-174.40000114.3S12 L18S12-C14 PolarHBondContact O-N 3.49Å; C14-L18 WeakPolarHBondContact O-CB 3.47Å; C14-L18 PolarHBondContact O-N 2.94Å
15E88.1Confident75Confident105 Ų105104.7 Ų104.749%0.49158%0.581SS.*Hα-helixtrans-75.6-36.1178.8-174.2172.4-152.100111.7T11 S12 P13 Q19T11-E15 HydrophobicContact CG2-CG 4.19Å; S12-E15 PolarHBondContact N-OE2 3.31Å; S12-E15 WeakPolarHBondContact O-CA 3.46Å; S12-E15 WeakPolarHBondContact O-CB 3.48Å; S12-E15 PolarHBondContact O-N 3.37Å; S12-E15 WeakPolarHBondContact OG-CB 3.29Å; S12-E15 PolarHBondContact OG-N 2.84Å; P13-E15 PolarHBondContact O-N 3.02Å; E15-Q19 WeakPolarHBondContact O-CB 3.26Å; E15-Q19 PolarHBondContact O-N 2.79Å
16A85.6Confident77.7Confident44 Ų44106 Ų10636%0.36458%0.577SS.*Hα-helixtrans-66.7-45.5171.400000111.8S12 P13 L18 Q19 E20S12-A16 PolarHBondContact O-N 2.96Å; S12-A16 VanDerWaalsContact O-N 3.11Å; P13-A16 PolarHBondContact O-N 3.01Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.4Å; A16-Q19 PolarHBondContact O-N 3.33Å; A16-E20 PolarHBondContact O-N 2.96Å
17E89.9Confident80.1Confident120 Ų120102.9 Ų102.956%0.56157%0.565SS**Hα-helixtrans-59.5-41.5174.7-74.1167.8-159.900112P13 E20 L21P13-E17 WeakPolarHBondContact O-CB 3.43Å; P13-E17 VanDerWaalsContact O-CG 3.31Å; P13-E17 WeakPolarHBondContact O-CG 3.36Å; P13-E17 PolarHBondContact O-N 3.22Å; E17-E20 PolarHBondContact O-N 3.14Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.4Å
18L93.7Very high82.8Confident106 Ų106101.2 Ų101.256%0.55555%0.554SS**Hα-helixtrans-63.4-42.9175.5-170.878.9000111.8C14 A16 L21 M22C14-L18 WeakPolarHBondContact O-CB 3.47Å; C14-L18 PolarHBondContact O-N 2.94Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.18Å; L18-M22 PolarHBondContact O-N 2.91Å
19Q91.6Very high85.2Confident125 Ų12599.4 Ų99.458%0.58454%0.542SS*.Hα-helixtrans-67.8-38.6179.9-171.2167.1-6.500111.7E15 A16 M22 E23E15-Q19 WeakPolarHBondContact O-CB 3.26Å; E15-Q19 PolarHBondContact O-N 2.79Å; A16-Q19 PolarHBondContact O-N 3.33Å; Q19-M22 PolarHBondContact O-N 3.15Å; Q19-E23 PolarHBondContact O-N 2.74Å
20E92.3Very high87.5Confident114 Ų11494.3 Ų94.353%0.53352%0.523SS..Hα-helixtrans-63.5-43.9172.6-166.8-172.7156.400111.5A16 E17 M22 E23 Q24A16-E20 PolarHBondContact O-N 2.96Å; E17-E20 PolarHBondContact O-N 3.14Å; E20-M22 VanDerWaalsContact C-N 3.33Å; E20-M22 PolarHBondContact O-N 3.02Å; E20-E23 PolarHBondContact O-N 2.91Å; E20-Q24 VanDerWaalsContact O-CG 3.32Å; E20-Q24 WeakPolarHBondContact O-CG 3.37Å; E20-Q24 PolarHBondContact O-N 3.12Å; E20-Q24 PolarHBondContact OE1-NE2 2.89Å
21L95.9Very high89.6Confident97 Ų9794.6 Ų94.651%0.50851%0.509SS..Hα-helixtrans-62-38.4175.6-75.7170.6000112.5E17 L18 Q24 I25E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 3.24Å; L21-Q24 PolarHBondContact O-N 2.93Å; L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.94Å
22M94.6Very high91.8Very high112 Ų11296.4 Ų96.455%0.55251%0.511SS*.Hα-helixtrans-63.8-44.7173.6-74.4-179.160.900111.7L18 Q19 E20 Q24 I25 D26L18-M22 WeakPolarHBondContact O-CG 3.18Å; L18-M22 PolarHBondContact O-N 2.91Å; Q19-M22 PolarHBondContact O-N 3.15Å; E20-M22 VanDerWaalsContact C-N 3.33Å; E20-M22 PolarHBondContact O-N 3.02Å; M22-Q24 PolarHBondContact O-N 3.03Å; M22-I25 PolarHBondContact O-N 3.44Å; M22-D26 PolarHBondContact O-N 3.29Å
23E95.2Very high93Very high123 Ų12399.8 Ų99.858%0.57552%0.518SS*.Hα-helixtrans-63.3-40.8176.6-174.1168.7-171.800111.9Q19 E20 I25 D26 I27Q19-E23 PolarHBondContact O-N 2.74Å; E20-E23 PolarHBondContact O-N 2.91Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 2.82Å; E23-D26 PolarHBondContact O-N 3.41Å; E23-I27 HydrophobicContact CG-CD1 3.97Å; E23-I27 WeakPolarHBondContact O-CB 3.34Å; E23-I27 VanDerWaalsContact O-CG1 3.25Å; E23-I27 WeakPolarHBondContact O-CG1 3.33Å; E23-I27 PolarHBondContact O-N 3.34Å
24Q95.9Very high94.1Very high99 Ų9998.6 Ų98.646%0.46351%0.505SS..Hα-helixtrans-61.8-39.4173-70.5178.720.500112.3E20 L21 M22 M28E20-Q24 VanDerWaalsContact O-CG 3.32Å; E20-Q24 WeakPolarHBondContact O-CG 3.37Å; E20-Q24 PolarHBondContact O-N 3.12Å; E20-Q24 PolarHBondContact OE1-NE2 2.89Å; L21-Q24 PolarHBondContact O-N 2.93Å; M22-Q24 PolarHBondContact O-N 3.03Å; Q24-M28 VanDerWaalsContact O-CB 3.32Å; Q24-M28 WeakPolarHBondContact O-CB 3.35Å; Q24-M28 PolarHBondContact O-N 3.24Å
25I95.6Very high94.9Very high91 Ų9196.3 Ų96.347%0.46749%0.486SS..Hα-helixtrans-65.6-45.8174.7-71.6164.3000110.8L21 M22 E23 I27 M28 V29L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.94Å; M22-I25 PolarHBondContact O-N 3.44Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 2.82Å; I25-I27 PolarHBondContact O-N 2.87Å; I25-M28 WeakPolarHBondContact O-CB 3.38Å; I25-M28 PolarHBondContact O-N 2.93Å; I25-V29 HydrophobicContact CG2-CG2 4.23Å; I25-V29 WeakPolarHBondContact O-CB 3.48Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.25Å; I25-V29 PolarHBondContact O-N 3.41Å
26D97.1Very high95.4Very high108 Ų108100 Ų10058%0.57850%0.496SS*.Hα-helixtrans-63.6-41.5178.9-80.1-22.8000111.8M22 E23 V29 S30M22-D26 PolarHBondContact O-N 3.29Å; E23-D26 PolarHBondContact O-N 3.41Å; D26-V29 PolarHBondContact O-N 2.87Å; D26-S30 WeakPolarHBondContact O-CB 3.48Å; D26-S30 PolarHBondContact O-N 3.37Å
27I96.7Very high96Very high89 Ų89101.3 Ų101.346%0.45649%0.494SS..Hα-helixtrans-61.2-45.2172.3-69.8166.2000110.6E23 I25 S30 N31E23-I27 HydrophobicContact CG-CD1 3.97Å; E23-I27 WeakPolarHBondContact O-CB 3.34Å; E23-I27 VanDerWaalsContact O-CG1 3.25Å; E23-I27 WeakPolarHBondContact O-CG1 3.33Å; E23-I27 PolarHBondContact O-N 3.34Å; I25-I27 PolarHBondContact O-N 2.87Å; I27-S30 PolarHBondContact O-N 3.49Å; I27-N31 WeakPolarHBondContact CG2-ND2 3.34Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.43Å; I27-N31 VanDerWaalsContact O-CG 3.25Å; I27-N31 PolarHBondContact O-N 2.84Å; I27-N31 PolarHBondContact O-ND2 2.65Å; I27-N31 VanDerWaalsContact O-ND2 3.15Å
28M97.6Very high96.4Very high109 Ų109101.4 Ų101.454%0.53749%0.489SS..Hα-helixtrans-62.4-46177.6179.6-171.661.900112Q24 I25 N31 K32Q24-M28 VanDerWaalsContact O-CB 3.32Å; Q24-M28 WeakPolarHBondContact O-CB 3.35Å; Q24-M28 PolarHBondContact O-N 3.24Å; I25-M28 WeakPolarHBondContact O-CB 3.38Å; I25-M28 PolarHBondContact O-N 2.93Å; M28-N31 PolarHBondContact O-N 2.95Å; M28-K32 WeakPolarHBondContact O-CG 3.27Å; M28-K32 PolarHBondContact O-N 3.29Å
29V97.8Very high96.6Very high82 Ų82102.8 Ų102.850%0.49749%0.491SS..Hα-helixtrans-66-43179.4170.30000110.6I25 D26 K32 K33I25-V29 HydrophobicContact CG2-CG2 4.23Å; I25-V29 WeakPolarHBondContact O-CB 3.48Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.25Å; I25-V29 PolarHBondContact O-N 3.41Å; D26-V29 PolarHBondContact O-N 2.87Å; V29-K32 PolarHBondContact O-N 2.87Å; V29-K33 WeakPolarHBondContact O-CB 3.41Å; V29-K33 PolarHBondContact O-N 2.95Å
30S97.3Very high96.9Very high63 Ų63101.4 Ų101.444%0.44149%0.486SS..Hα-helixtrans-60.6-46174.3-174.40000111.8D26 I27 K32 K33 M34D26-S30 WeakPolarHBondContact O-CB 3.48Å; D26-S30 PolarHBondContact O-N 3.37Å; I27-S30 PolarHBondContact O-N 3.49Å; S30-K32 PolarHBondContact O-N 3.49Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 3.42Å; S30-M34 PolarHBondContact O-N 3.44Å
31N96.9Very high97.2Very high72 Ų72102 Ų10239%0.38548%0.483SS..Hα-helixtrans-61.2-42.7175.1-78.3-32.8000112.1I27 M28 M34 D35I27-N31 WeakPolarHBondContact CG2-ND2 3.34Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.43Å; I27-N31 VanDerWaalsContact O-CG 3.25Å; I27-N31 PolarHBondContact O-N 2.84Å; I27-N31 PolarHBondContact O-ND2 2.65Å; I27-N31 VanDerWaalsContact O-ND2 3.15Å; M28-N31 PolarHBondContact O-N 2.95Å; N31-M34 PolarHBondContact O-N 3.5Å; N31-M34 WeakPolarHBondContact OD1-CE 3.21Å; N31-D35 PolarHBondContact O-N 3.26Å
32K98.3Very high97.3Very high114 Ų114100 Ų10050%0.49648%0.48SS..Hα-helixtrans-66.7-38.7175.7-74.7-70.5158.1-135.70112.6M28 V29 S30 D35 W36M28-K32 WeakPolarHBondContact O-CG 3.27Å; M28-K32 PolarHBondContact O-N 3.29Å; V29-K32 PolarHBondContact O-N 2.87Å; S30-K32 PolarHBondContact O-N 3.49Å; K32-D35 IonicContact NZ-OD2 2.99Å; K32-D35 PolarHBondContact NZ-OD2 3.15Å; K32-D35 WeakPolarHBondContact O-CB 3.49Å; K32-D35 PolarHBondContact O-N 3.2Å; K32-W36 PolarHBondContact O-N 3.36Å
33K97.7Very high97.4Very high131 Ų13199 Ų9957%0.5748%0.477SS*.Hα-helixtrans-59.1-48.9171.9-176.8-177.7173.4-171.90110.9V29 S30 D35 W36 E37V29-K33 WeakPolarHBondContact O-CB 3.41Å; V29-K33 PolarHBondContact O-N 2.95Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 3.42Å; K33-D35 VanDerWaalsContact C-N 3.34Å; K33-D35 PolarHBondContact O-N 3.38Å; K33-W36 PolarHBondContact O-N 3.5Å; K33-W36 VanDerWaalsContact O-N 3.14Å; K33-E37 WeakPolarHBondContact CE-OE1 3.23Å; K33-E37 WeakPolarHBondContact O-CG 3.46Å; K33-E37 PolarHBondContact O-N 3.26Å
34M97.8Very high97.5Very high77 Ų7797.4 Ų97.438%0.37947%0.47SS..Hα-helixtrans-62.1-37.4176-71.8-162.8-72.800113.2S30 N31 W36 R38S30-M34 PolarHBondContact O-N 3.44Å; N31-M34 PolarHBondContact O-N 3.5Å; N31-M34 WeakPolarHBondContact OD1-CE 3.21Å; M34-W36 VanDerWaalsContact C-N 3.33Å; M34-R38 WeakPolarHBondContact O-CB 3.31Å; M34-R38 WeakPolarHBondContact O-CG 3.28Å; M34-R38 PolarHBondContact O-N 3.32Å
35D97.6Very high97.6Very high41 Ų4196.6 Ų96.622%0.21947%0.472CS..Hα-helixtrans-60-43.4172.9-74.7-14.1000111.6N31 K32 K33 R38 K39N31-D35 PolarHBondContact O-N 3.26Å; K32-D35 IonicContact NZ-OD2 2.99Å; K32-D35 PolarHBondContact NZ-OD2 3.15Å; K32-D35 WeakPolarHBondContact O-CB 3.49Å; K32-D35 PolarHBondContact O-N 3.2Å; K33-D35 VanDerWaalsContact C-N 3.34Å; K33-D35 PolarHBondContact O-N 3.38Å; D35-R38 IonicContact OD1-CZ 2.65Å; D35-R38 IonicContact OD1-NH1 2.65Å; D35-R38 PolarHBondContact OD1-NH1 3.23Å; D35-R38 IonicContact OD1-NH2 3.16Å; D35-R38 PolarHBondContact OD1-NH2 3.46Å; D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.26Å; D35-K39 PolarHBondContact O-N 3.03Å
36W98.3Very high97.7Very high184 Ų184100.3 Ų100.370%0.69748%0.48SS*.Hα-helixtrans-71-42-179-74.539.9000111.3K32 K33 M34 K39 M40K32-W36 PolarHBondContact O-N 3.36Å; K33-W36 PolarHBondContact O-N 3.5Å; K33-W36 VanDerWaalsContact O-N 3.14Å; M34-W36 VanDerWaalsContact C-N 3.33Å; W36-K39 PolarHBondContact O-N 3.41Å; W36-M40 WeakPolarHBondContact O-CB 3.46Å; W36-M40 PolarHBondContact O-N 2.86Å
37E98.1Very high97.7Very high71 Ų71100 Ų10033%0.33248%0.478SS..Hα-helixtrans-62.9-41.2173.3-68.8176.7-169.400112.3K33 K39 M40 R41K33-E37 WeakPolarHBondContact CE-OE1 3.23Å; K33-E37 WeakPolarHBondContact O-CG 3.46Å; K33-E37 PolarHBondContact O-N 3.26Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.95Å; E37-M40 PolarHBondContact O-N 2.84Å; E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.31Å; E37-R41 IonicContact OE2-NH2 2.69Å; E37-R41 PolarHBondContact OE2-NH2 3.39Å
38R98.3Very high97.8Very high121 Ų121100.8 Ų100.846%0.45748%0.483SS..Hα-helixtrans-61.8-40.7174-79.2-174.4-108.2102.20.3111.6M34 D35 A42M34-R38 WeakPolarHBondContact O-CB 3.31Å; M34-R38 WeakPolarHBondContact O-CG 3.28Å; M34-R38 PolarHBondContact O-N 3.32Å; D35-R38 IonicContact OD1-CZ 2.65Å; D35-R38 IonicContact OD1-NH1 2.65Å; D35-R38 PolarHBondContact OD1-NH1 3.23Å; D35-R38 IonicContact OD1-NH2 3.16Å; D35-R38 PolarHBondContact OD1-NH2 3.46Å; R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 3.3Å; R38-A42 VanDerWaalsContact O-N 3.09Å
39K98.1Very high97.8Very high135 Ų135100.5 Ų100.559%0.58748%0.483SS*.Hα-helixtrans-66-41.2174.3-74.3171.6-178.1-177.40112.4D35 W36 E37 A42 L43D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.26Å; D35-K39 PolarHBondContact O-N 3.03Å; W36-K39 PolarHBondContact O-N 3.41Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.95Å; K39-A42 PolarHBondContact O-N 3.31Å; K39-L43 WeakPolarHBondContact O-CG 3.31Å; K39-L43 PolarHBondContact O-N 3.09Å
40M98.2Very high97.7Very high97 Ų97103.9 Ų103.948%0.47849%0.487SS..Hα-helixtrans-61.8-52.1178.2-168.366-12500110.8W36 E37 A42 L43 E44W36-M40 WeakPolarHBondContact O-CB 3.46Å; W36-M40 PolarHBondContact O-N 2.86Å; E37-M40 PolarHBondContact O-N 2.84Å; M40-A42 VanDerWaalsContact C-N 3.29Å; M40-A42 PolarHBondContact O-N 3.01Å; M40-L43 WeakPolarHBondContact O-CA 3.38Å; M40-L43 WeakPolarHBondContact O-CB 3.4Å; M40-L43 PolarHBondContact O-N 3.24Å; M40-E44 HydrophobicContact CE-CG 3.69Å; M40-E44 WeakPolarHBondContact O-CG 3.32Å; M40-E44 PolarHBondContact O-N 3.48Å
41R98.1Very high97.7Very high125 Ų125105 Ų10547%0.47249%0.488SS..Hα-helixtrans-58.4-39.3176.6-66-178.2-138.2117.5-0.3112.6E37 L43 E44 T45E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.31Å; E37-R41 IonicContact OE2-NH2 2.69Å; E37-R41 PolarHBondContact OE2-NH2 3.39Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 2.85Å; R41-E44 WeakPolarHBondContact CA-OE2 3.49Å; R41-E44 PolarHBondContact O-N 3.04Å; R41-T45 PolarHBondContact O-N 3.31Å; R41-T45 PolarHBondContact O-OG1 3.37Å
42A97.7Very high97.8Very high55 Ų55106.7 Ų106.746%0.45549%0.493SS..Hα-helixtrans-67.7-28.617600000113.4R38 K39 M40 R46R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 3.3Å; R38-A42 VanDerWaalsContact O-N 3.09Å; K39-A42 PolarHBondContact O-N 3.31Å; M40-A42 VanDerWaalsContact C-N 3.29Å; M40-A42 PolarHBondContact O-N 3.01Å; A42-R46 WeakPolarHBondContact O-CB 3.36Å; A42-R46 WeakPolarHBondContact O-CD 3.39Å; A42-R46 VanDerWaalsContact O-CG 3.23Å; A42-R46 WeakPolarHBondContact O-CG 3.47Å; A42-R46 PolarHBondContact O-N 3.13Å
43L97.9Very high97.7Very high92 Ų92105.7 Ų105.748%0.48249%0.49SS..Hα-helixtrans-77.9-40.5172.7-71.4172.3000111.8K39 M40 R41 R46 L47K39-L43 WeakPolarHBondContact O-CG 3.31Å; K39-L43 PolarHBondContact O-N 3.09Å; M40-L43 WeakPolarHBondContact O-CA 3.38Å; M40-L43 WeakPolarHBondContact O-CB 3.4Å; M40-L43 PolarHBondContact O-N 3.24Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 2.85Å; L43-R46 WeakPolarHBondContact O-CB 3.41Å; L43-R46 PolarHBondContact O-N 3.43Å; L43-L47 PolarHBondContact O-N 2.97Å
44E97.5Very high97.7Very high89 Ų89104.9 Ų104.942%0.41649%0.492SS..Hα-helixtrans-57.7-54.7173.5-71162.816800110.6M40 R41 R46 L47 D48M40-E44 HydrophobicContact CE-CG 3.69Å; M40-E44 WeakPolarHBondContact O-CG 3.32Å; M40-E44 PolarHBondContact O-N 3.48Å; R41-E44 WeakPolarHBondContact CA-OE2 3.49Å; R41-E44 PolarHBondContact O-N 3.04Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.15Å; E44-L47 WeakPolarHBondContact O-CA 3.41Å; E44-L47 WeakPolarHBondContact O-CB 3.47Å; E44-L47 PolarHBondContact O-N 3.49Å; E44-D48 PolarHBondContact O-N 3.16Å
45T97.4Very high97.6Very high83 Ų83103.5 Ų103.551%0.50949%0.493SS..Hα-helixtrans-57.7-34.4177.2-53.80000112.5R41 L49R41-T45 PolarHBondContact O-N 3.31Å; R41-T45 PolarHBondContact O-OG1 3.37Å; T45-L49 HydrophobicContact CG2-CD1 4.38Å; T45-L49 WeakPolarHBondContact O-CB 3.23Å; T45-L49 WeakPolarHBondContact O-CD1 3.35Å; T45-L49 VanDerWaalsContact O-CG 3.24Å; T45-L49 WeakPolarHBondContact O-CG 3.37Å; T45-L49 PolarHBondContact O-N 2.83Å; T45-L49 VanDerWaalsContact O-N 3.16Å
46R97.4Very high97.5Very high169 Ų169106 Ų10664%0.63851%0.506SS*.Hα-helixtrans-72.1-30.9175.4-82.9174.954.6-171.9-6.4113.1A42 L43 E44 R50A42-R46 WeakPolarHBondContact O-CB 3.36Å; A42-R46 WeakPolarHBondContact O-CD 3.39Å; A42-R46 VanDerWaalsContact O-CG 3.23Å; A42-R46 WeakPolarHBondContact O-CG 3.47Å; A42-R46 PolarHBondContact O-N 3.13Å; L43-R46 WeakPolarHBondContact O-CB 3.41Å; L43-R46 PolarHBondContact O-N 3.43Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.15Å; R46-R50 VanDerWaalsContact O-CG 3.27Å; R46-R50 WeakPolarHBondContact O-CG 3.47Å; R46-R50 PolarHBondContact O-N 2.79Å
47L97.4Very high97.4Very high102 Ų102100 Ų10053%0.53450%0.496SS..Hα-helixtrans-72.2-49175.3-177.362.7000109.8L43 E44 L49 R50 D51L43-L47 PolarHBondContact O-N 2.97Å; E44-L47 WeakPolarHBondContact O-CA 3.41Å; E44-L47 WeakPolarHBondContact O-CB 3.47Å; E44-L47 PolarHBondContact O-N 3.49Å; L47-L49 VanDerWaalsContact C-N 3.27Å; L47-L49 PolarHBondContact O-N 3Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 WeakPolarHBondContact O-CA 3.47Å; L47-R50 WeakPolarHBondContact O-CB 3.38Å; L47-R50 PolarHBondContact O-N 3.32Å; L47-D51 PolarHBondContact O-N 3Å
48D97.9Very high97.4Very high105 Ų105101.2 Ų101.256%0.56150%0.501SS*.Hα-helixtrans-54.9-43177.3-62.4-29.4000111.9E44 R50 D51 Q52E44-D48 PolarHBondContact O-N 3.16Å; D48-R50 VanDerWaalsContact C-N 3.34Å; D48-R50 PolarHBondContact O-N 3.46Å; D48-D51 PolarHBondContact O-N 3.13Å; D48-Q52 WeakPolarHBondContact O-CB 3.45Å; D48-Q52 PolarHBondContact O-N 2.7Å
49L97.1Very high97.3Very high103 Ų10399.1 Ų99.154%0.53950%0.502SS..Hα-helixtrans-62.3-38.5174.7-75.6170.2000112.5T45 L47 E53T45-L49 HydrophobicContact CG2-CD1 4.38Å; T45-L49 WeakPolarHBondContact O-CB 3.23Å; T45-L49 WeakPolarHBondContact O-CD1 3.35Å; T45-L49 VanDerWaalsContact O-CG 3.24Å; T45-L49 WeakPolarHBondContact O-CG 3.37Å; T45-L49 PolarHBondContact O-N 2.83Å; T45-L49 VanDerWaalsContact O-N 3.16Å; L47-L49 VanDerWaalsContact C-N 3.27Å; L47-L49 PolarHBondContact O-N 3Å; L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.38Å; L49-E53 PolarHBondContact O-N 2.73Å
50R96.6Very high97.3Very high153 Ų15395.8 Ų95.858%0.57750%0.495SS*.Hα-helixtrans-72-39.4178-70.7-68.4174-170.40.2112.1R46 L47 D48 Q52 E53 L54R46-R50 VanDerWaalsContact O-CG 3.27Å; R46-R50 WeakPolarHBondContact O-CG 3.47Å; R46-R50 PolarHBondContact O-N 2.79Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 WeakPolarHBondContact O-CA 3.47Å; L47-R50 WeakPolarHBondContact O-CB 3.38Å; L47-R50 PolarHBondContact O-N 3.32Å; D48-R50 VanDerWaalsContact C-N 3.34Å; D48-R50 PolarHBondContact O-N 3.46Å; R50-Q52 VanDerWaalsContact C-N 3.32Å; R50-Q52 PolarHBondContact O-N 3.05Å; R50-E53 WeakPolarHBondContact CD-OE2 3.41Å; R50-E53 IonicContact CZ-OE2 3.33Å; R50-E53 IonicContact NE-OE2 2.69Å; R50-E53 IonicContact NH1-OE1 2.65Å; R50-E53 IonicContact NH1-OE2 3.15Å; R50-E53 PolarHBondContact NH1-OE2 2.91Å; R50-E53 PolarHBondContact O-N 3.43Å; R50-L54 WeakPolarHBondContact O-CB 3.45Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 3.39Å
51D97.6Very high97.3Very high86 Ų8696.4 Ų96.446%0.4650%0.5SS..Hα-helixtrans-66.5-37.2175.9-69.7-19.1000110.9L47 D48 L54 A55L47-D51 PolarHBondContact O-N 3Å; D48-D51 PolarHBondContact O-N 3.13Å; D51-L54 PolarHBondContact O-N 3.48Å; D51-A55 WeakPolarHBondContact O-CB 3.37Å; D51-A55 PolarHBondContact O-N 2.89Å
52Q97.9Very high97.2Very high107 Ų10794.2 Ų94.250%0.550%0.497SS..Hα-helixtrans-66.4-42.3171.6-173.263.363.800112.7D48 R50 L54 A55 N56D48-Q52 WeakPolarHBondContact O-CB 3.45Å; D48-Q52 PolarHBondContact O-N 2.7Å; R50-Q52 VanDerWaalsContact C-N 3.32Å; R50-Q52 PolarHBondContact O-N 3.05Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-A55 PolarHBondContact O-N 3.41Å; Q52-N56 PolarHBondContact NE2-OD1 3.36Å; Q52-N56 WeakPolarHBondContact O-CB 3.48Å; Q52-N56 PolarHBondContact O-N 2.92Å; Q52-N56 PolarHBondContact O-ND2 3.22Å; Q52-N56 PolarHBondContact O-OD1 3.39Å
53E96.6Very high97.2Very high94 Ų9496.6 Ų96.644%0.43950%0.499SS..Hα-helixtrans-59.4-43.8173.2-78.7173.5-171.300111.6L49 R50 N56 A57L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.38Å; L49-E53 PolarHBondContact O-N 2.73Å; R50-E53 WeakPolarHBondContact CD-OE2 3.41Å; R50-E53 IonicContact CZ-OE2 3.33Å; R50-E53 IonicContact NE-OE2 2.69Å; R50-E53 IonicContact NH1-OE1 2.65Å; R50-E53 IonicContact NH1-OE2 3.15Å; R50-E53 PolarHBondContact NH1-OE2 2.91Å; R50-E53 PolarHBondContact O-N 3.43Å; E53-N56 PolarHBondContact O-N 3.03Å; E53-A57 WeakPolarHBondContact O-CB 3.43Å; E53-A57 PolarHBondContact O-N 3.1Å
54L97.1Very high97.1Very high114 Ų11497.1 Ų97.160%0.59750%0.497SS*.Hα-helixtrans-65.1-44.1177.5-72.5171000112R50 D51 Q52 N56 A57 Q58R50-L54 WeakPolarHBondContact O-CB 3.45Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 3.39Å; D51-L54 PolarHBondContact O-N 3.48Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 2.96Å; L54-A57 PolarHBondContact O-N 2.89Å; L54-Q58 WeakPolarHBondContact O-CB 3.37Å; L54-Q58 PolarHBondContact O-N 3.16Å
55A97.6Very high97.1Very high48 Ų4895 Ų9540%0.39750%0.5SS..Hα-helixtrans-62.3-40.4175.900000112.3D51 Q52 T59D51-A55 WeakPolarHBondContact O-CB 3.37Å; D51-A55 PolarHBondContact O-N 2.89Å; Q52-A55 PolarHBondContact O-N 3.41Å; A55-T59 WeakPolarHBondContact O-CB 3.43Å; A55-T59 PolarHBondContact O-N 2.62Å; A55-T59 PolarHBondContact O-OG1 2.91Å
56N95.3Very high97.1Very high92 Ų9298 Ų9849%0.49251%0.508SS..Hα-helixtrans-64.8-44.4174.7-68.7-14.2000111.4Q52 E53 L54 T59 C60Q52-N56 PolarHBondContact NE2-OD1 3.36Å; Q52-N56 WeakPolarHBondContact O-CB 3.48Å; Q52-N56 PolarHBondContact O-N 2.92Å; Q52-N56 PolarHBondContact O-ND2 3.22Å; Q52-N56 PolarHBondContact O-OD1 3.39Å; E53-N56 PolarHBondContact O-N 3.03Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 2.96Å; N56-T59 PolarHBondContact O-N 3.22Å; N56-C60 WeakPolarHBondContact O-CB 3.18Å; N56-C60 PolarHBondContact O-N 3.05Å
57A96Very high97.1Very high59 Ų5994.3 Ų94.349%0.48850%0.498SS..Hα-helixtrans-64-42.7177.900000112.1E53 L54 C60 L61E53-A57 WeakPolarHBondContact O-CB 3.43Å; E53-A57 PolarHBondContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 2.89Å; A57-C60 PolarHBondContact O-N 3.42Å; A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.3Å
58Q97.3Very high97Very high97 Ų9793 Ų9345%0.45349%0.494SS..Hα-helixtrans-61.3-47.1175.4-176.659.746.200111.2L54 C60 L61 D62L54-Q58 WeakPolarHBondContact O-CB 3.37Å; L54-Q58 PolarHBondContact O-N 3.16Å; Q58-C60 VanDerWaalsContact C-N 3.3Å; Q58-C60 PolarHBondContact O-N 3.32Å; Q58-L61 WeakPolarHBondContact O-CB 3.4Å; Q58-L61 PolarHBondContact O-N 3.07Å; Q58-L61 VanDerWaalsContact O-N 3.1Å; Q58-D62 PolarHBondContact NE2-OD1 3.44Å; Q58-D62 PolarHBondContact NE2-OD2 2.99Å; Q58-D62 VanDerWaalsContact O-CG 3.3Å; Q58-D62 PolarHBondContact O-N 3.06Å
59T96.9Very high97Very high76 Ų7689.8 Ų89.847%0.46649%0.485SS..Hα-helixtrans-59.8-40.7178-56.30000111.8A55 N56 Q63A55-T59 WeakPolarHBondContact O-CB 3.43Å; A55-T59 PolarHBondContact O-N 2.62Å; A55-T59 PolarHBondContact O-OG1 2.91Å; N56-T59 PolarHBondContact O-N 3.22Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.42Å; T59-Q63 PolarHBondContact O-N 2.95Å; T59-Q63 VanDerWaalsContact O-N 3.1Å
60C97.6Very high97Very high65 Ų6589.2 Ų89.244%0.43948%0.482SS..Hα-helixtrans-64.6-43.1174.6-174.90000111.8N56 A57 Q58 Q63 K64N56-C60 WeakPolarHBondContact O-CB 3.18Å; N56-C60 PolarHBondContact O-N 3.05Å; A57-C60 PolarHBondContact O-N 3.42Å; Q58-C60 VanDerWaalsContact C-N 3.3Å; Q58-C60 PolarHBondContact O-N 3.32Å; C60-Q63 PolarHBondContact O-N 2.91Å; C60-K64 WeakPolarHBondContact O-CG 3.37Å; C60-K64 PolarHBondContact O-N 3.24Å
61L97.5Very high97.1Very high111 Ų11187 Ų8758%0.58148%0.482SS*.Hα-helixtrans-63.1-42177.5-172.5149.1000111.7A57 Q58 K64 G65A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.3Å; Q58-L61 WeakPolarHBondContact O-CB 3.4Å; Q58-L61 PolarHBondContact O-N 3.07Å; Q58-L61 VanDerWaalsContact O-N 3.1Å; L61-K64 PolarHBondContact O-N 3.38Å; L61-G65 PolarHBondContact O-N 2.76Å
62D97.6Very high97.1Very high78 Ų7891.7 Ų91.742%0.41749%0.493SS..Hα-helixtrans-64.4-41.4177.4-67.1-29.8000111.7Q58 G65 Q66Q58-D62 PolarHBondContact NE2-OD1 3.44Å; Q58-D62 PolarHBondContact NE2-OD2 2.99Å; Q58-D62 VanDerWaalsContact O-CG 3.3Å; Q58-D62 PolarHBondContact O-N 3.06Å; D62-G65 PolarHBondContact O-N 2.7Å; D62-Q66 WeakPolarHBondContact O-CG 3.46Å; D62-Q66 PolarHBondContact O-N 3.21Å
63Q97.7Very high97.1Very high105 Ų10593 Ų9349%0.49150%0.499SS..Hα-helixtrans-60.4-44.9172.4-72.2171.86.700111.7T59 C60 G65 Q66 E67T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.42Å; T59-Q63 PolarHBondContact O-N 2.95Å; T59-Q63 VanDerWaalsContact O-N 3.1Å; C60-Q63 PolarHBondContact O-N 2.91Å; Q63-G65 VanDerWaalsContact C-N 3.32Å; Q63-G65 PolarHBondContact O-N 3.45Å; Q63-Q66 WeakPolarHBondContact O-CB 3.44Å; Q63-Q66 PolarHBondContact O-N 2.93Å; Q63-E67 PolarHBondContact O-N 2.88Å
64K96Very high97.1Very high103 Ų10394.3 Ų94.345%0.44850%0.503SS..Hα-helixtrans-66.6-32.2175.4-65.8-52179-162.40112.9C60 L61 Q66 E67 V68C60-K64 WeakPolarHBondContact O-CG 3.37Å; C60-K64 PolarHBondContact O-N 3.24Å; L61-K64 PolarHBondContact O-N 3.38Å; K64-Q66 VanDerWaalsContact C-N 3.35Å; K64-E67 VanDerWaalsContact CD-OE2 3.29Å; K64-E67 WeakPolarHBondContact CD-OE2 3.3Å; K64-E67 IonicContact NZ-OE1 2.9Å; K64-E67 PolarHBondContact NZ-OE1 3.42Å; K64-E67 IonicContact NZ-OE2 2.88Å; K64-E67 PolarHBondContact NZ-OE2 2.97Å; K64-E67 PolarHBondContact O-N 3.39Å; K64-V68 WeakPolarHBondContact O-CB 3.44Å; K64-V68 VanDerWaalsContact O-CG2 3.3Å; K64-V68 WeakPolarHBondContact O-CG2 3.48Å; K64-V68 PolarHBondContact O-N 3.2Å
65G95.8Very high97Very high45 Ų4593.5 Ų93.546%0.46450%0.499SS..Hα-helixtrans-59-44169.100000112.4L61 D62 Q63 G69L61-G65 PolarHBondContact O-N 2.76Å; D62-G65 PolarHBondContact O-N 2.7Å; Q63-G65 VanDerWaalsContact C-N 3.32Å; Q63-G65 PolarHBondContact O-N 3.45Å; G65-G69 PolarHBondContact O-N 3.4Å
66Q97.8Very high97.1Very high146 Ų14694.5 Ų94.568%0.68250%0.498SS*.Hα-helixtrans-66.5-44.2176.5-66.2173.92100112.4D62 Q63 K64 V68 G69 L70D62-Q66 WeakPolarHBondContact O-CG 3.46Å; D62-Q66 PolarHBondContact O-N 3.21Å; Q63-Q66 WeakPolarHBondContact O-CB 3.44Å; Q63-Q66 PolarHBondContact O-N 2.93Å; K64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-V68 PolarHBondContact O-N 2.94Å; Q66-G69 PolarHBondContact O-N 2.99Å; Q66-L70 PolarHBondContact O-N 3.32Å
67E97Very high97.2Very high92 Ų9293.3 Ų93.343%0.4350%0.497SS..Hα-helixtrans-57.7-48174.5-74.1175.4-149.400111.7Q63 K64 G69 L70 L71Q63-E67 PolarHBondContact O-N 2.88Å; K64-E67 VanDerWaalsContact CD-OE2 3.29Å; K64-E67 WeakPolarHBondContact CD-OE2 3.3Å; K64-E67 IonicContact NZ-OE1 2.9Å; K64-E67 PolarHBondContact NZ-OE1 3.42Å; K64-E67 IonicContact NZ-OE2 2.88Å; K64-E67 PolarHBondContact NZ-OE2 2.97Å; K64-E67 PolarHBondContact O-N 3.39Å; E67-G69 VanDerWaalsContact C-N 3.32Å; E67-G69 PolarHBondContact O-N 3.15Å; E67-L70 PolarHBondContact O-N 2.94Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 2.86Å
68V97Very high97.2Very high73 Ų7395.8 Ų95.844%0.44250%0.501SS..Hα-helixtrans-63.6-37.9177.4170.10000111.5K64 Q66 L71 R72K64-V68 WeakPolarHBondContact O-CB 3.44Å; K64-V68 VanDerWaalsContact O-CG2 3.3Å; K64-V68 WeakPolarHBondContact O-CG2 3.48Å; K64-V68 PolarHBondContact O-N 3.2Å; Q66-V68 PolarHBondContact O-N 2.94Å; V68-L71 PolarHBondContact O-N 2.96Å; V68-R72 HydrophobicContact CG1-CG 4.48Å; V68-R72 WeakPolarHBondContact O-CB 3.47Å; V68-R72 WeakPolarHBondContact O-CG 3.48Å; V68-R72 PolarHBondContact O-N 3.26Å
69G97.1Very high97.2Very high38 Ų3896.2 Ų96.239%0.39250%0.503SS..Hα-helixtrans-59.6-47.4173.500000112.6G65 Q66 E67 R72 Q73G65-G69 PolarHBondContact O-N 3.4Å; Q66-G69 PolarHBondContact O-N 2.99Å; E67-G69 VanDerWaalsContact C-N 3.32Å; E67-G69 PolarHBondContact O-N 3.15Å; G69-R72 PolarHBondContact O-N 2.86Å; G69-Q73 PolarHBondContact O-N 3.29Å
70L98Very high97.3Very high91 Ų9198.4 Ų98.448%0.47651%0.506SS..Hα-helixtrans-64.4-40.4177.1-172.471.6000112.1Q66 E67 Q73 K74Q66-L70 PolarHBondContact O-N 3.32Å; E67-L70 PolarHBondContact O-N 2.94Å; L70-Q73 PolarHBondContact O-N 3.17Å; L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 2.68Å
71L97.6Very high97.3Very high107 Ų10798.9 Ų98.956%0.5651%0.51SS*.Hα-helixtrans-65-40.8176.5-71.6172.2000111.9E67 V68 K74 L75E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 2.86Å; V68-L71 PolarHBondContact O-N 2.96Å; L71-K74 PolarHBondContact O-N 3.24Å; L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 PolarHBondContact O-N 3.35Å
72R97Very high97.2Very high185 Ų18598 Ų9870%0.69851%0.505SS*.Hα-helixtrans-61-42.9173.4-76.4174.4176.9-123.30.8112V68 G69 L75 D76V68-R72 HydrophobicContact CG1-CG 4.48Å; V68-R72 WeakPolarHBondContact O-CB 3.47Å; V68-R72 WeakPolarHBondContact O-CG 3.48Å; V68-R72 PolarHBondContact O-N 3.26Å; G69-R72 PolarHBondContact O-N 2.86Å; R72-L75 PolarHBondContact O-N 3.27Å; R72-D76 PolarHBondContact O-N 3.04Å
73Q97.8Very high97.2Very high133 Ų13399.3 Ų99.362%0.62151%0.512SS*.Hα-helixtrans-63.3-41.7176.2-171.8-176.211.100112G69 L70 S77G69-Q73 PolarHBondContact O-N 3.29Å; L70-Q73 PolarHBondContact O-N 3.17Å; Q73-S77 WeakPolarHBondContact O-CB 3.37Å; Q73-S77 PolarHBondContact O-N 2.94Å
74K97Very high97.2Very high123 Ų12397 Ų9754%0.53551%0.51SS..Hα-helixtrans-62.4-44.3174.9-74.5179178.5-178.70111.7L70 L71 S77 L78L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 2.68Å; L71-K74 PolarHBondContact O-N 3.24Å; K74-S77 PolarHBondContact O-N 3.02Å; K74-S77 PolarHBondContact O-OG 3.08Å; K74-L78 WeakPolarHBondContact O-CB 3.33Å; K74-L78 PolarHBondContact O-N 3.42Å
75L96.4Very high97.2Very high96 Ų9696.5 Ų96.550%0.50351%0.511SS..Hα-helixtrans-60.1-50.6177.8-176.663.5000111.6L71 R72 S77 L78 E79L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 PolarHBondContact O-N 3.35Å; R72-L75 PolarHBondContact O-N 3.27Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.16Å; L75-L78 PolarHBondContact O-N 2.93Å; L75-L78 VanDerWaalsContact O-N 3.07Å; L75-E79 PolarHBondContact O-N 3.15Å
76D98.1Very high97.3Very high69 Ų6998 Ų9837%0.36951%0.511SS..Hα-helixtrans-57.3-41.1176167.580.6000112.4R72 L78 K80R72-D76 PolarHBondContact O-N 3.04Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 3.46Å; D76-K80 WeakPolarHBondContact O-CB 3.36Å; D76-K80 WeakPolarHBondContact O-CD 3.32Å; D76-K80 VanDerWaalsContact O-CG 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.01Å; D76-K80 WeakPolarHBondContact OD1-CE 3.06Å; D76-K80 IonicContact OD1-NZ 2.63Å; D76-K80 PolarHBondContact OD1-NZ 2.63Å; D76-K80 WeakPolarHBondContact OD2-CE 3.29Å; D76-K80 IonicContact OD2-NZ 3.2Å; D76-K80 PolarHBondContact OD2-NZ 3.09Å
77S97.1Very high97.3Very high68 Ų6897.5 Ų97.548%0.47651%0.509SS..Hα-helixtrans-65.2-3617675.50000113Q73 K74 L75 C81Q73-S77 WeakPolarHBondContact O-CB 3.37Å; Q73-S77 PolarHBondContact O-N 2.94Å; K74-S77 PolarHBondContact O-N 3.02Å; K74-S77 PolarHBondContact O-OG 3.08Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.16Å; S77-C81 WeakPolarHBondContact O-CB 3.49Å; S77-C81 PolarHBondContact O-N 3.5Å
78L97.5Very high97.3Very high111 Ų11197.7 Ų97.758%0.58151%0.513SS*.Hα-helixtrans-75.7-40179.5-174.3143.7000111.5K74 L75 D76 C81 N82K74-L78 WeakPolarHBondContact O-CB 3.33Å; K74-L78 PolarHBondContact O-N 3.42Å; L75-L78 PolarHBondContact O-N 2.93Å; L75-L78 VanDerWaalsContact O-N 3.07Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 3.46Å; L78-C81 PolarHBondContact O-N 3.11Å; L78-N82 VanDerWaalsContact O-CB 3.32Å; L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.46Å
79E97.4Very high97.4Very high105 Ų105101.2 Ų101.249%0.49152%0.519SS..Hα-helixtrans-60.1-46172-74.6-179.6179.900111.3L75 C81 N82 L83L75-E79 PolarHBondContact O-N 3.15Å; E79-C81 PolarHBondContact O-N 2.94Å; E79-N82 PolarHBondContact O-N 3.46Å; E79-L83 WeakPolarHBondContact O-CB 3.46Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.33Å
80K98.1Very high97.4Very high122 Ų122104.4 Ų104.453%0.5352%0.524SS..Hα-helixtrans-60.7-42.5175.4-75.2167.4-179.3163.20112.6D76 A84D76-K80 WeakPolarHBondContact O-CB 3.36Å; D76-K80 WeakPolarHBondContact O-CD 3.32Å; D76-K80 VanDerWaalsContact O-CG 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.01Å; D76-K80 WeakPolarHBondContact OD1-CE 3.06Å; D76-K80 IonicContact OD1-NZ 2.63Å; D76-K80 PolarHBondContact OD1-NZ 2.63Å; D76-K80 WeakPolarHBondContact OD2-CE 3.29Å; D76-K80 IonicContact OD2-NZ 3.2Å; D76-K80 PolarHBondContact OD2-NZ 3.09Å; K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 3.08Å; K80-A84 VanDerWaalsContact O-N 3.07Å
81C97.4Very high97.4Very high76 Ų76101.9 Ų101.951%0.51452%0.519SS..Hα-helixtrans-62.9-45.9175.3-174.70000111.7S77 L78 E79 A84 M85S77-C81 WeakPolarHBondContact O-CB 3.49Å; S77-C81 PolarHBondContact O-N 3.5Å; L78-C81 PolarHBondContact O-N 3.11Å; E79-C81 PolarHBondContact O-N 2.94Å; C81-A84 PolarHBondContact O-N 3.04Å; C81-M85 WeakPolarHBondContact O-CB 3.49Å; C81-M85 PolarHBondContact O-N 2.93Å
82N95.5Very high97.4Very high91 Ų91102 Ų10249%0.48752%0.517SS..Hα-helixtrans-66.1-39-179.9-166.615.4000112.2L78 E79 M85 T86L78-N82 VanDerWaalsContact O-CB 3.32Å; L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.46Å; E79-N82 PolarHBondContact O-N 3.46Å; N82-M85 PolarHBondContact O-N 3.07Å; N82-T86 WeakPolarHBondContact O-CB 3.41Å; N82-T86 PolarHBondContact O-N 2.88Å; N82-T86 PolarHBondContact O-OG1 2.97Å
83L97.6Very high97.4Very high107 Ų10797.3 Ų97.356%0.5651%0.506SS*.Hα-helixtrans-60.3-48.4172.2-77.1167.8000111.7E79 M85 T86 Q87E79-L83 WeakPolarHBondContact O-CB 3.46Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.33Å; L83-M85 VanDerWaalsContact C-N 3.34Å; L83-M85 PolarHBondContact O-N 3.26Å; L83-T86 PolarHBondContact O-N 3.41Å; L83-Q87 WeakPolarHBondContact O-CG 3.39Å; L83-Q87 PolarHBondContact O-N 2.65Å
84A97.9Very high97.4Very high55 Ų5596.2 Ų96.246%0.45550%0.5SS..Hα-helixtrans-63.2-39.5177.700000112.4K80 C81 Q87 N88K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 3.08Å; K80-A84 VanDerWaalsContact O-N 3.07Å; C81-A84 PolarHBondContact O-N 3.04Å; A84-Q87 PolarHBondContact O-N 3.29Å; A84-N88 PolarHBondContact O-N 2.98Å
85M96.4Very high97.5Very high94 Ų9493.2 Ų93.246%0.46350%0.495SS..Hα-helixtrans-65-43.4175.4-171.4-177.4-61.700111.7C81 N82 L83 N88 Y89C81-M85 WeakPolarHBondContact O-CB 3.49Å; C81-M85 PolarHBondContact O-N 2.93Å; N82-M85 PolarHBondContact O-N 3.07Å; L83-M85 VanDerWaalsContact C-N 3.34Å; L83-M85 PolarHBondContact O-N 3.26Å; M85-N88 WeakPolarHBondContact O-CB 3.5Å; M85-N88 PolarHBondContact O-N 3.44Å; M85-Y89 HydrophobicContact CG-CD2 3.89Å; M85-Y89 HydrophobicContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact O-CD2 3.28Å; M85-Y89 WeakPolarHBondContact O-CD2 3.46Å; M85-Y89 PolarHBondContact O-N 3.45Å; M85-Y89 HydrophobicContact SD-CE2 3.9Å
86T97.2Very high97.5Very high77 Ų7792.9 Ų92.947%0.47249%0.493SS..Hα-helixtrans-61.2-45.8176.3-59.70000111.1N82 L83 N88 Y89 E90N82-T86 WeakPolarHBondContact O-CB 3.41Å; N82-T86 PolarHBondContact O-N 2.88Å; N82-T86 PolarHBondContact O-OG1 2.97Å; L83-T86 PolarHBondContact O-N 3.41Å; T86-N88 VanDerWaalsContact C-N 3.31Å; T86-N88 PolarHBondContact O-N 3.4Å; T86-Y89 PolarHBondContact O-N 2.94Å; T86-E90 WeakPolarHBondContact O-CB 3.27Å; T86-E90 PolarHBondContact O-N 2.98Å
87Q98.1Very high97.5Very high134 Ų13495.5 Ų95.563%0.62650%0.501SS*.Hα-helixtrans-61.1-37.6175.5-72.7173-2.300112.5L83 A84 E90 G91L83-Q87 WeakPolarHBondContact O-CG 3.39Å; L83-Q87 PolarHBondContact O-N 2.65Å; A84-Q87 PolarHBondContact O-N 3.29Å; Q87-E90 PolarHBondContact O-N 3.27Å; Q87-G91 PolarHBondContact O-N 2.69Å
88N97.9Very high97.5Very high97 Ų9795.1 Ų95.152%0.51950%0.503SS..Hα-helixtrans-64.4-50.3175.6-169.5-38.2000111.3A84 M85 T86 E90 G91 Q92A84-N88 PolarHBondContact O-N 2.98Å; M85-N88 WeakPolarHBondContact O-CB 3.5Å; M85-N88 PolarHBondContact O-N 3.44Å; T86-N88 VanDerWaalsContact C-N 3.31Å; T86-N88 PolarHBondContact O-N 3.4Å; N88-E90 VanDerWaalsContact C-N 3.32Å; N88-E90 PolarHBondContact O-N 2.93Å; N88-G91 PolarHBondContact O-N 3.32Å; N88-Q92 WeakPolarHBondContact O-CG 3.37Å; N88-Q92 PolarHBondContact O-N 2.91Å; N88-Q92 PolarHBondContact OD1-NE2 2.92Å
89Y97.8Very high97.6Very high146 Ų14695.5 Ų95.557%0.57350%0.502SS*.Hα-helixtrans-62.9-36.5176.5-72.6-53.8000112.9M85 T86 Q92 L93M85-Y89 HydrophobicContact CG-CD2 3.89Å; M85-Y89 HydrophobicContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact O-CD2 3.28Å; M85-Y89 WeakPolarHBondContact O-CD2 3.46Å; M85-Y89 PolarHBondContact O-N 3.45Å; M85-Y89 HydrophobicContact SD-CE2 3.9Å; T86-Y89 PolarHBondContact O-N 2.94Å; Y89-Q92 PolarHBondContact O-N 3.39Å; Y89-L93 WeakPolarHBondContact O-CB 3.41Å; Y89-L93 PolarHBondContact O-N 3.08Å
90E97.6Very high97.5Very high106 Ų10696.5 Ų96.550%0.49550%0.504SS..Hα-helixtrans-63.2-44.8173.5-165.8-176.1169.300111.2T86 Q87 N88 Q92 L93 Q94T86-E90 WeakPolarHBondContact O-CB 3.27Å; T86-E90 PolarHBondContact O-N 2.98Å; Q87-E90 PolarHBondContact O-N 3.27Å; N88-E90 VanDerWaalsContact C-N 3.32Å; N88-E90 PolarHBondContact O-N 2.93Å; E90-Q92 PolarHBondContact O-N 2.92Å; E90-L93 PolarHBondContact O-N 3.33Å; E90-Q94 HydrophobicContact CG-CG 4.48Å; E90-Q94 WeakPolarHBondContact O-CB 3.43Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.39Å; E90-Q94 PolarHBondContact O-N 2.95Å; E90-Q94 PolarHBondContact OE1-NE2 3.06Å
91G98Very high97.5Very high37 Ų3794.1 Ų94.138%0.38150%0.503SS..Hα-helixtrans-59.6-43174.700000113.2Q87 N88 Q94 S95Q87-G91 PolarHBondContact O-N 2.69Å; N88-G91 PolarHBondContact O-N 3.32Å; G91-Q94 PolarHBondContact O-N 3.02Å; G91-S95 WeakPolarHBondContact O-CB 3.27Å; G91-S95 PolarHBondContact O-N 2.65Å
92Q97.8Very high97.5Very high110 Ų11097.4 Ų97.451%0.51451%0.509SS..Hα-helixtrans-61.9-44.7173.6-69-177.740.800111.7N88 Y89 E90 Q94 S95 L96N88-Q92 WeakPolarHBondContact O-CG 3.37Å; N88-Q92 PolarHBondContact O-N 2.91Å; N88-Q92 PolarHBondContact OD1-NE2 2.92Å; Y89-Q92 PolarHBondContact O-N 3.39Å; E90-Q92 PolarHBondContact O-N 2.92Å; Q92-Q94 PolarHBondContact O-N 3.23Å; Q92-S95 WeakPolarHBondContact O-CB 3.43Å; Q92-S95 PolarHBondContact O-N 3.42Å; Q92-L96 WeakPolarHBondContact O-CB 3.42Å; Q92-L96 PolarHBondContact O-N 2.65Å
93L97.6Very high97.6Very high87 Ų8798.5 Ų98.546%0.45551%0.514SS..Hα-helixtrans-64.1-39.4178.1-178.963.3000112Y89 E90 L96 K97Y89-L93 WeakPolarHBondContact O-CB 3.41Å; Y89-L93 PolarHBondContact O-N 3.08Å; E90-L93 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-K97 HydrophobicContact CG-CD 4.4Å; L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 VanDerWaalsContact O-CG 3.28Å; L93-K97 WeakPolarHBondContact O-CG 3.5Å; L93-K97 PolarHBondContact O-N 2.95Å
94Q97.9Very high97.5Very high109 Ų10996.7 Ų96.751%0.50951%0.507SS..Hα-helixtrans-65.1-42.9174.5-71.1178.917.900111.4E90 G91 Q92 K97 A98E90-Q94 HydrophobicContact CG-CG 4.48Å; E90-Q94 WeakPolarHBondContact O-CB 3.43Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.39Å; E90-Q94 PolarHBondContact O-N 2.95Å; E90-Q94 PolarHBondContact OE1-NE2 3.06Å; G91-Q94 PolarHBondContact O-N 3.02Å; Q92-Q94 PolarHBondContact O-N 3.23Å; Q94-K97 PolarHBondContact O-N 2.95Å; Q94-A98 PolarHBondContact O-N 3.05Å
95S97.6Very high97.4Very high61 Ų6198.1 Ų98.143%0.42751%0.507SS..Hα-helixtrans-59.7-46.6173.3179.80000111.9G91 Q92 K97 A98 Q99G91-S95 WeakPolarHBondContact O-CB 3.27Å; G91-S95 PolarHBondContact O-N 2.65Å; Q92-S95 WeakPolarHBondContact O-CB 3.43Å; Q92-S95 PolarHBondContact O-N 3.42Å; S95-K97 PolarHBondContact O-N 3Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 2.97Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.93Å
96L97.8Very high97.4Very high89 Ų8997.6 Ų97.647%0.46651%0.506SS..Hα-helixtrans-62.9-43.3178-170.566.1000111.5Q92 L93 A98 Q99 F100Q92-L96 WeakPolarHBondContact O-CB 3.42Å; Q92-L96 PolarHBondContact O-N 2.65Å; L93-L96 PolarHBondContact O-N 2.88Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 2.68Å; L96-Q99 PolarHBondContact O-N 3.4Å; L96-F100 HydrophobicContact CD1-CD2 4.34Å; L96-F100 HydrophobicContact CD1-CE2 4.17Å; L96-F100 HydrophobicContact CD2-CE2 4.45Å; L96-F100 HydrophobicContact CG-CD2 4.05Å; L96-F100 HydrophobicContact CG-CE2 4.06Å; L96-F100 WeakPolarHBondContact O-CD2 3.44Å; L96-F100 PolarHBondContact O-N 3.25Å
97K97.4Very high97.3Very high123 Ų123100 Ų10054%0.53551%0.511SS..Hα-helixtrans-57.9-42.5172.7-76.9170.6178.9174.20112L93 Q94 S95 F100 S101L93-K97 HydrophobicContact CG-CD 4.4Å; L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 VanDerWaalsContact O-CG 3.28Å; L93-K97 WeakPolarHBondContact O-CG 3.5Å; L93-K97 PolarHBondContact O-N 2.95Å; Q94-K97 PolarHBondContact O-N 2.95Å; S95-K97 PolarHBondContact O-N 3Å; K97-F100 PolarHBondContact O-N 3.11Å; K97-S101 PolarHBondContact O-N 3.43Å; K97-S101 PolarHBondContact O-OG 3.47Å
98A97.6Very high97.2Very high61 Ų6198.6 Ų98.650%0.50450%0.504SS..Hα-helixtrans-64.7-39.2176.600000112.3Q94 S95 L96 S101 K102Q94-A98 PolarHBondContact O-N 3.05Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 2.97Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 2.68Å; A98-S101 PolarHBondContact O-N 3.44Å; A98-K102 WeakPolarHBondContact O-CB 3.47Å; A98-K102 PolarHBondContact O-N 3.21Å
99Q97.9Very high97Very high119 Ų119100.5 Ų100.556%0.55651%0.507SS*.Hα-helixtrans-64.7-44173.8-68.9-178.250.700112.1S95 L96 K102 L103S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.93Å; L96-Q99 PolarHBondContact O-N 3.4Å; Q99-K102 WeakPolarHBondContact O-CB 3.46Å; Q99-K102 PolarHBondContact O-N 3.48Å; Q99-L103 WeakPolarHBondContact O-CB 3.47Å; Q99-L103 PolarHBondContact O-N 3.45Å
100F96.8Very high96.8Very high126 Ų12698.8 Ų98.855%0.55351%0.508SS*.Hα-helixtrans-58.9-48.2173.3-94.1-78.1000111.9L96 K97 K102 L103 T104L96-F100 HydrophobicContact CD1-CD2 4.34Å; L96-F100 HydrophobicContact CD1-CE2 4.17Å; L96-F100 HydrophobicContact CD2-CE2 4.45Å; L96-F100 HydrophobicContact CG-CD2 4.05Å; L96-F100 HydrophobicContact CG-CE2 4.06Å; L96-F100 WeakPolarHBondContact O-CD2 3.44Å; L96-F100 PolarHBondContact O-N 3.25Å; K97-F100 PolarHBondContact O-N 3.11Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 2.75Å; F100-L103 PolarHBondContact O-N 2.99Å; F100-L103 VanDerWaalsContact O-N 3.1Å; F100-T104 PolarHBondContact O-N 3.06Å; F100-T104 PolarHBondContact O-OG1 3.41Å; F100-T104 VanDerWaalsContact O-OG1 3.09Å
101S96.9Very high96.4Very high71 Ų71101 Ų10150%0.49751%0.512SS..Hα-helixtrans-58.1-39.2175.5-66.10000112.4K97 A98 N105K97-S101 PolarHBondContact O-N 3.43Å; K97-S101 PolarHBondContact O-OG 3.47Å; A98-S101 PolarHBondContact O-N 3.44Å; S101-N105 WeakPolarHBondContact O-CB 3.48Å; S101-N105 VanDerWaalsContact O-CG 3.28Å; S101-N105 PolarHBondContact O-N 2.84Å; S101-N105 PolarHBondContact O-ND2 2.93Å
102K97.9Very high96Very high146 Ų146104.3 Ų104.364%0.63552%0.52SS*.Hα-helixtrans-65.8-41.8174.8-170.7179.2-178.1-178.40111.9A98 Q99 F100 N106A98-K102 WeakPolarHBondContact O-CB 3.47Å; A98-K102 PolarHBondContact O-N 3.21Å; Q99-K102 WeakPolarHBondContact O-CB 3.46Å; Q99-K102 PolarHBondContact O-N 3.48Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 2.75Å; K102-N106 WeakPolarHBondContact O-CB 3.47Å; K102-N106 VanDerWaalsContact O-CG 3.22Å; K102-N106 PolarHBondContact O-N 3.14Å; K102-N106 PolarHBondContact O-ND2 2.76Å
103L97.2Very high95.5Very high113 Ų113104.3 Ų104.359%0.59252%0.52SS*.Hα-helixtrans-66.1-45.9177.8-176.361.2000111.8Q99 F100 N105 N106 F107Q99-L103 WeakPolarHBondContact O-CB 3.47Å; Q99-L103 PolarHBondContact O-N 3.45Å; F100-L103 PolarHBondContact O-N 2.99Å; F100-L103 VanDerWaalsContact O-N 3.1Å; L103-N105 PolarHBondContact O-N 3.15Å; L103-N106 PolarHBondContact O-N 3.03Å; L103-N106 VanDerWaalsContact O-N 3.15Å; L103-F107 WeakPolarHBondContact O-CB 3.5Å; L103-F107 PolarHBondContact O-N 2.93Å
104T96.4Very high94.6Very high69 Ų69105.6 Ų105.642%0.42352%0.523SS..Hα-helixtrans-58-48.6175-58.60000111.2F100 N106 F107 E108F100-T104 PolarHBondContact O-N 3.06Å; F100-T104 PolarHBondContact O-OG1 3.41Å; F100-T104 VanDerWaalsContact O-OG1 3.09Å; T104-N106 VanDerWaalsContact C-N 3.28Å; T104-N106 PolarHBondContact O-N 3.38Å; T104-F107 PolarHBondContact O-N 3.07Å; T104-F107 VanDerWaalsContact O-N 3.16Å; T104-E108 WeakPolarHBondContact O-CG 3.44Å; T104-E108 PolarHBondContact O-N 3.44Å
105N96Very high93.6Very high86 Ų86105.8 Ų105.846%0.4653%0.526SS..Hα-helixtrans-59.4-37.1175.9-79.1-47.9000112.8S101 L103 K109S101-N105 WeakPolarHBondContact O-CB 3.48Å; S101-N105 VanDerWaalsContact O-CG 3.28Å; S101-N105 PolarHBondContact O-N 2.84Å; S101-N105 PolarHBondContact O-ND2 2.93Å; L103-N105 PolarHBondContact O-N 3.15Å; N105-K109 VanDerWaalsContact O-CG 3.25Å; N105-K109 WeakPolarHBondContact O-CG 3.49Å; N105-K109 PolarHBondContact O-N 2.99Å; N105-K109 VanDerWaalsContact O-N 3.15Å
106N96.4Very high92.9Very high83 Ų83110.2 Ų110.244%0.44454%0.537SS..Hα-helixtrans-70.7-40.3175.9-72.7-17.8000111.9K102 L103 T104 K109 L110K102-N106 WeakPolarHBondContact O-CB 3.47Å; K102-N106 VanDerWaalsContact O-CG 3.22Å; K102-N106 PolarHBondContact O-N 3.14Å; K102-N106 PolarHBondContact O-ND2 2.76Å; L103-N106 PolarHBondContact O-N 3.03Å; L103-N106 VanDerWaalsContact O-N 3.15Å; T104-N106 VanDerWaalsContact C-N 3.28Å; T104-N106 PolarHBondContact O-N 3.38Å; N106-K109 PolarHBondContact O-N 3.01Å; N106-L110 WeakPolarHBondContact O-CB 3.25Å; N106-L110 PolarHBondContact O-N 3.23Å
107F94.9Very high91.5Very high128 Ų128111.4 Ų111.456%0.56154%0.54SS*.Hα-helixtrans-63.8-43.5175.9-180-98.3000111.9L103 T104 K109 L110 R111L103-F107 WeakPolarHBondContact O-CB 3.5Å; L103-F107 PolarHBondContact O-N 2.93Å; T104-F107 PolarHBondContact O-N 3.07Å; T104-F107 VanDerWaalsContact O-N 3.16Å; F107-K109 PolarHBondContact O-N 3.01Å; F107-L110 PolarHBondContact O-N 3.47Å; F107-R111 WeakPolarHBondContact O-CB 3.48Å; F107-R111 PolarHBondContact O-N 3.43Å
108E95.1Very high89.7Confident103 Ų103111.3 Ų111.348%0.48155%0.546SS..Hα-helixtrans-62.1-42.8174.8-73.2-174.6173.100112.3T104 L110 R111 L112T104-E108 WeakPolarHBondContact O-CG 3.44Å; T104-E108 PolarHBondContact O-N 3.44Å; E108-L110 PolarHBondContact O-N 3.05Å; E108-R111 PolarHBondContact O-N 3.47Å; E108-L112 WeakPolarHBondContact O-CB 3.5Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.18Å
109K94.7Very high88Confident137 Ų137116.9 Ų116.960%0.59656%0.558SS**Hα-helixtrans-59.5-43.9173.1-75170.1-176176.50112N105 N106 F107 L112 H113N105-K109 VanDerWaalsContact O-CG 3.25Å; N105-K109 WeakPolarHBondContact O-CG 3.49Å; N105-K109 PolarHBondContact O-N 2.99Å; N105-K109 VanDerWaalsContact O-N 3.15Å; N106-K109 PolarHBondContact O-N 3.01Å; F107-K109 PolarHBondContact O-N 3.01Å; K109-L112 PolarHBondContact O-N 3.39Å; K109-H113 WeakPolarHBondContact O-CB 3.37Å; K109-H113 PolarHBondContact O-N 3.45Å
110L92.8Very high85.7Confident110 Ų110116.1 Ų116.158%0.57656%0.562SS**Hα-helixtrans-64.4-45.1177.6-177.363.4000111.5N106 F107 E108 L112 H113 Q114N106-L110 WeakPolarHBondContact O-CB 3.25Å; N106-L110 PolarHBondContact O-N 3.23Å; F107-L110 PolarHBondContact O-N 3.47Å; E108-L110 PolarHBondContact O-N 3.05Å; L110-L112 PolarHBondContact O-N 2.9Å; L110-H113 WeakPolarHBondContact O-CB 3.45Å; L110-H113 PolarHBondContact O-N 2.85Å; L110-Q114 PolarHBondContact O-N 3.48Å
111R89Confident83.3Confident153 Ų153116.2 Ų116.258%0.57758%0.575SS**Hα-helixtrans-60.6-43.1175.7-175.3-178.8179.4-169.81111.8F107 E108 Q114 M115F107-R111 WeakPolarHBondContact O-CB 3.48Å; F107-R111 PolarHBondContact O-N 3.43Å; E108-R111 PolarHBondContact O-N 3.47Å; R111-Q114 PolarHBondContact O-N 3.13Å; R111-M115 WeakPolarHBondContact O-CB 3.34Å; R111-M115 VanDerWaalsContact O-CG 3.28Å; R111-M115 WeakPolarHBondContact O-CG 3.48Å; R111-M115 PolarHBondContact O-N 3.47Å
112L90.8Very high81.1Confident106 Ų106123.6 Ų123.656%0.55559%0.592SS**Hα-helixtrans-64.7-38.3174.4-77.8165.4000112.1E108 K109 L110 K116E108-L112 WeakPolarHBondContact O-CB 3.5Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.18Å; K109-L112 PolarHBondContact O-N 3.39Å; L110-L112 PolarHBondContact O-N 2.9Å; L112-K116 WeakPolarHBondContact O-CG 3.34Å; L112-K116 PolarHBondContact O-N 2.88Å
113H86.2Confident78.6Confident111 Ų111126.5 Ų126.551%0.51461%0.605SS.*Hα-helixtrans-63.5-49.7173.9-179.6-84.9000111.3K109 L110 M115 K116 Q117K109-H113 WeakPolarHBondContact O-CB 3.37Å; K109-H113 PolarHBondContact O-N 3.45Å; L110-H113 WeakPolarHBondContact O-CB 3.45Å; L110-H113 PolarHBondContact O-N 2.85Å; H113-M115 VanDerWaalsContact C-N 3.33Å; H113-M115 PolarHBondContact O-N 2.96Å; H113-K116 WeakPolarHBondContact O-CB 3.41Å; H113-K116 PolarHBondContact O-N 2.93Å; H113-Q117 WeakPolarHBondContact O-CB 3.49Å; H113-Q117 PolarHBondContact O-N 3.2Å
114Q78.9Confident75.9Confident114 Ų114129.2 Ų129.253%0.53361%0.614SS.*Hα-helixtrans-60.4-41.8178.4-164.9179.619.900111.8L110 R111 K116 Q117 N118L110-Q114 PolarHBondContact O-N 3.48Å; R111-Q114 PolarHBondContact O-N 3.13Å; Q114-K116 VanDerWaalsContact C-N 3.31Å; Q114-K116 PolarHBondContact O-N 2.83Å; Q114-Q117 PolarHBondContact O-N 2.89Å; Q114-N118 WeakPolarHBondContact O-CB 3.39Å; Q114-N118 VanDerWaalsContact O-CG 3.29Å; Q114-N118 PolarHBondContact O-N 3.18Å
115M77.9Confident73.2Confident113 Ų113133.6 Ų133.656%0.55763%0.634SS**Hα-helixtrans-63.1-31.9173.4-78.5-80154.800113.6R111 H113 K119R111-M115 WeakPolarHBondContact O-CB 3.34Å; R111-M115 VanDerWaalsContact O-CG 3.28Å; R111-M115 WeakPolarHBondContact O-CG 3.48Å; R111-M115 PolarHBondContact O-N 3.47Å; H113-M115 VanDerWaalsContact C-N 3.33Å; H113-M115 PolarHBondContact O-N 2.96Å; M115-K119 WeakPolarHBondContact O-CG 3.5Å
116K82.7Confident71Confident153 Ų153134.6 Ų134.667%0.66565%0.646SS**Hα-helixtrans-76.2-39.7172.5-74.5174.6178.5-177.40111.8L112 H113 Q114 K119L112-K116 WeakPolarHBondContact O-CG 3.34Å; L112-K116 PolarHBondContact O-N 2.88Å; H113-K116 WeakPolarHBondContact O-CB 3.41Å; H113-K116 PolarHBondContact O-N 2.93Å; Q114-K116 VanDerWaalsContact C-N 3.31Å; Q114-K116 PolarHBondContact O-N 2.83Å; K116-K119 PolarHBondContact O-N 3.21Å
117Q68.8Low68.4Low115 Ų115139.1 Ų139.154%0.53766%0.663SS.*Hα-helixtrans-64.5-42179.5-165.2173.818.200111.6H113 Q114 K119 V120H113-Q117 WeakPolarHBondContact O-CB 3.49Å; H113-Q117 PolarHBondContact O-N 3.2Å; Q114-Q117 PolarHBondContact O-N 2.89Å; Q117-K119 PolarHBondContact O-N 3.2Å; Q117-V120 PolarHBondContact O-N 3.48Å; Q117-V120 VanDerWaalsContact O-N 3.13Å
118N58.2Low66.2Low120 Ų120139.6 Ų139.664%0.64267%0.671SS**THydrogen-bonded Turntrans-67.7-12.3176.6-70.1-5.7000114.1Q114Q114-N118 WeakPolarHBondContact O-CB 3.39Å; Q114-N118 VanDerWaalsContact O-CG 3.29Å; Q114-N118 PolarHBondContact O-N 3.18Å
119K62.8Low63.9Low178 Ų178142.6 Ų142.677%0.77468%0.683SS**THydrogen-bonded Turntrans-87.4-6.1173.9-73.8-178.2178.3-171.10113.5M115 K116 Q117 P121M115-K119 WeakPolarHBondContact O-CG 3.5Å; K116-K119 PolarHBondContact O-N 3.21Å; Q117-K119 PolarHBondContact O-N 3.2Å; K119-P121 WeakPolarHBondContact O-CD 3.12Å
120V49.2Very low61.7Low103 Ų103144.3 Ų144.362%0.62469%0.693SS**SBendtrans-90.4115.3172-177.60000108.2Q117 R122Q117-V120 PolarHBondContact O-N 3.48Å; Q117-V120 VanDerWaalsContact O-N 3.13Å; V120-R122 PolarHBondContact O-N 2.88Å
121P47.5Very low59.6Low128 Ų128146.2 Ų146.283%0.83170%0.699SS**  trans-69.892.6-179.6-1731.8000110.8K119 K123K119-P121 WeakPolarHBondContact O-CD 3.12Å; P121-K123 PolarHBondContact O-N 3.38Å
122R50Low57.9Low226 Ų226144.7 Ų144.785%0.85370%0.701SS**  trans-81.7115.5171.8-150.6177-164.6-174.83.3107.6V120 E124V120-R122 PolarHBondContact O-N 2.88Å; R122-E124 PolarHBondContact O-N 3.04Å
123K45.3Very low56.2Low207 Ų207143.3 Ų143.390%0.970%0.698SS**  trans-49.6125.8176.7-75.3-180173.6179.80109.8P121P121-K123 PolarHBondContact O-N 3.38Å
124E41.4Very low54.6Low170 Ų170145.3 Ų145.379%0.79471%0.706SS**  trans-67.3132.9-179.3-61-172.9131.900110.6R122R122-E124 PolarHBondContact O-N 3.04Å
125L39.8Very low53.8Low162 Ų162147 Ų14785%0.84871%0.714SS**  trans-114.6118.4161.2-167.973.4000107H127L125-H127 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact O-N 3.14Å
126P48.5Very low53.2Low107 Ų107147.5 Ų147.570%0.69572%0.718SS**SBendtrans-88.585.2-164.533.8-35.4000112.1
127H42.4Very low52.6Low177 Ų177143.6 Ų143.682%0.81971%0.71SS**  trans-152.313168.6-104.2-58000117.3L125L125-H127 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact O-N 3.14Å
128L49.1Very low52.9Low139 Ų139142.5 Ų142.573%0.72871%0.708SS**  trans-128.251.7-178.9-143.783.8000113
129K45.2Very low54Low165 Ų165142.6 Ų142.672%0.71771%0.707SS**  trans-115.8-0.3-179-84.4-173.6178173.50115.4P133K129-P133 WeakPolarHBondContact O-CD 3.4Å; K129-P133 WeakPolarHBondContact O-CG 3.18Å
130E49Very low54.8Low174 Ų174138.5 Ų138.581%0.81369%0.694SS**SBendtrans-98-25.8-172.6-73.7177.9136.400115.7P133E130-P133 WeakPolarHBondContact O-CD 3.44Å
131E48.3Very low56.7Low150 Ų150139.2 Ų139.270%0.70169%0.691SS**Hα-helixtrans-80-40.7-179.9-68.5177.1141.200113.1F134 E135E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 3.15Å; E131-E135 PolarHBondContact O-N 3.1Å
132I53.3Low58.8Low121 Ų121138.4 Ų138.462%0.62167%0.674SS**Hα-helixtrans-61.5-39.5-177.5-55.5172.1000113.1F134 L136I132-F134 VanDerWaalsContact C-N 3.27Å; I132-F134 PolarHBondContact O-N 3.15Å; I132-L136 PolarHBondContact O-N 2.86Å
133P56.7Low60.7Low76 Ų76131.5 Ų131.549%0.49465%0.654SS.*Hα-helixtrans-61.1-32.3173-24.634.9000114K129 E130 S137K129-P133 WeakPolarHBondContact O-CD 3.4Å; K129-P133 WeakPolarHBondContact O-CG 3.18Å; E130-P133 WeakPolarHBondContact O-CD 3.44Å; P133-S137 VanDerWaalsContact O-CB 3.26Å; P133-S137 WeakPolarHBondContact O-CB 3.34Å; P133-S137 PolarHBondContact O-N 3.39Å
134F51.7Low62.9Low154 Ų154125.8 Ų125.868%0.67563%0.63SS**Hα-helixtrans-75.4-42.9-174.9-167.1-99.5000112E131 I132 S137 N138E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 3.15Å; I132-F134 VanDerWaalsContact C-N 3.27Å; I132-F134 PolarHBondContact O-N 3.15Å; F134-S137 WeakPolarHBondContact O-CB 3.49Å; F134-S137 PolarHBondContact O-N 3.5Å; F134-N138 WeakPolarHBondContact O-CB 3.31Å; F134-N138 PolarHBondContact O-N 3.48Å
135E62.9Low65.3Low150 Ų150122 Ų12270%0.70161%0.612SS**Hα-helixtrans-65-40.9174.3-65.9-166161.200112.2E131 S137 N138 L139E131-E135 PolarHBondContact O-N 3.1Å; E135-S137 VanDerWaalsContact C-N 3.33Å; E135-S137 PolarHBondContact O-N 3.16Å; E135-N138 PolarHBondContact O-N 3.25Å; E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 PolarHBondContact O-N 3.06Å
136L65.1Low67.9Low122 Ų122120.1 Ų120.164%0.63960%0.598SS**Hα-helixtrans-64.1-39.8176-168.371.6000111.5I132 N140I132-L136 PolarHBondContact O-N 2.86Å; L136-N140 VanDerWaalsContact O-CB 3.26Å; L136-N140 WeakPolarHBondContact O-CB 3.46Å; L136-N140 PolarHBondContact O-N 2.93Å
137S69.3Low70.1Confident72 Ų72120.4 Ų120.450%0.50359%0.585SS.*Hα-helixtrans-60.5-49.2174.1-175.50000111.9P133 F134 E135 L139 N140 Q141P133-S137 VanDerWaalsContact O-CB 3.26Å; P133-S137 WeakPolarHBondContact O-CB 3.34Å; P133-S137 PolarHBondContact O-N 3.39Å; F134-S137 WeakPolarHBondContact O-CB 3.49Å; F134-S137 PolarHBondContact O-N 3.5Å; E135-S137 VanDerWaalsContact C-N 3.33Å; E135-S137 PolarHBondContact O-N 3.16Å; S137-L139 PolarHBondContact O-N 2.95Å; S137-N140 PolarHBondContact O-N 2.9Å; S137-Q141 PolarHBondContact O-N 3.18Å
138N76.4Confident72.6Confident92 Ų92114.7 Ų114.749%0.49257%0.569SS.*Hα-helixtrans-63.1-43.2-179.7-169.6-2.3000112F134 E135 N140 Q141 K142F134-N138 WeakPolarHBondContact O-CB 3.31Å; F134-N138 PolarHBondContact O-N 3.48Å; E135-N138 PolarHBondContact O-N 3.25Å; N138-N140 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.43Å; N138-Q141 PolarHBondContact O-N 3.06Å; N138-K142 PolarHBondContact O-N 2.83Å
139L81.3Confident74.8Confident121 Ų121113.8 Ų113.863%0.63456%0.559SS**Hα-helixtrans-64.5-38.4175.6-173.763000112.2E135 S137 K142 L143E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 PolarHBondContact O-N 3.06Å; S137-L139 PolarHBondContact O-N 2.95Å; L139-K142 PolarHBondContact O-N 2.85Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 PolarHBondContact O-N 3.01Å
140N78.3Confident77Confident93 Ų93108.9 Ų108.950%0.49755%0.545SS..Hα-helixtrans-70.9-36.9178.5-159.131.8000111.9L136 S137 N138 L143 E144L136-N140 VanDerWaalsContact O-CB 3.26Å; L136-N140 WeakPolarHBondContact O-CB 3.46Å; L136-N140 PolarHBondContact O-N 2.93Å; S137-N140 PolarHBondContact O-N 2.9Å; N138-N140 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.43Å; N140-L143 WeakPolarHBondContact O-CB 3.28Å; N140-L143 PolarHBondContact O-N 3.25Å; N140-E144 PolarHBondContact O-N 3.46Å
141Q89.6Confident79.2Confident117 Ų117108.2 Ų108.255%0.54754%0.535SS..Hα-helixtrans-59.9-48.4170.2177.6177.5-2000111.1S137 N138 L143 E144 E145S137-Q141 PolarHBondContact O-N 3.18Å; N138-Q141 PolarHBondContact O-N 3.06Å; Q141-L143 VanDerWaalsContact C-N 3.26Å; Q141-L143 PolarHBondContact O-N 3.4Å; Q141-E144 PolarHBondContact O-N 2.96Å; Q141-E144 VanDerWaalsContact O-N 3.09Å; Q141-E145 PolarHBondContact NE2-OE1 2.99Å; Q141-E145 PolarHBondContact O-N 3.4Å
142K91.8Very high81.4Confident112 Ų112105.1 Ų105.149%0.48752%0.521SS..Hα-helixtrans-63.3-32.3178.2-160.6168.8-171.11700112.6N138 L139 E145 F146N138-K142 PolarHBondContact O-N 2.83Å; L139-K142 PolarHBondContact O-N 2.85Å; K142-E145 PolarHBondContact O-N 2.88Å; K142-F146 HydrophobicContact CG-CD2 4.41Å; K142-F146 HydrophobicContact CG-CE2 3.98Å; K142-F146 WeakPolarHBondContact O-CD2 3.47Å; K142-F146 PolarHBondContact O-N 2.8Å; K142-F146 VanDerWaalsContact O-N 3.13Å
143L90.1Very high83.3Confident81 Ų81108.3 Ų108.342%0.42453%0.525SS..Hα-helixtrans-66-42172.4-166.176.7000111.8L139 N140 Q141 F146 R147L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 PolarHBondContact O-N 3.01Å; N140-L143 WeakPolarHBondContact O-CB 3.28Å; N140-L143 PolarHBondContact O-N 3.25Å; Q141-L143 VanDerWaalsContact C-N 3.26Å; Q141-L143 PolarHBondContact O-N 3.4Å; L143-F146 PolarHBondContact O-N 3.34Å; L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 2.93Å
144E91.4Very high85.1Confident87 Ų87108.2 Ų108.241%0.40752%0.521SS..Hα-helixtrans-67.9-34.4174-74.4-58.3157.900112.9N140 Q141 F146 R147 A148N140-E144 PolarHBondContact O-N 3.46Å; Q141-E144 PolarHBondContact O-N 2.96Å; Q141-E144 VanDerWaalsContact O-N 3.09Å; E144-F146 VanDerWaalsContact C-N 3.33Å; E144-F146 PolarHBondContact O-N 3.25Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 WeakPolarHBondContact OE1-CD 3.49Å; E144-R147 IonicContact OE1-CZ 2.65Å; E144-R147 IonicContact OE1-NH1 3.45Å; E144-R147 PolarHBondContact OE1-NH1 3.4Å; E144-R147 VanDerWaalsContact OE2-CD 3.29Å; E144-R147 WeakPolarHBondContact OE2-CD 3.49Å; E144-A148 WeakPolarHBondContact O-CB 3.33Å; E144-A148 PolarHBondContact O-N 3.21Å
145E91.8Very high87.3Confident89 Ų89106.1 Ų106.142%0.41651%0.511SS..Hα-helixtrans-61.3-40.5171.3-71.7173.9-161.100112.1Q141 K142 A148 K149Q141-E145 PolarHBondContact NE2-OE1 2.99Å; Q141-E145 PolarHBondContact O-N 3.4Å; K142-E145 PolarHBondContact O-N 2.88Å; E145-A148 PolarHBondContact O-N 3.31Å; E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.34Å; E145-K149 PolarHBondContact O-N 3.4Å
146F93.9Very high88.8Confident124 Ų124101.9 Ų101.954%0.54449%0.491SS..Hα-helixtrans-68.3-38.2173-73.6-58.7000112.5K142 L143 E144 K149 S150K142-F146 HydrophobicContact CG-CD2 4.41Å; K142-F146 HydrophobicContact CG-CE2 3.98Å; K142-F146 WeakPolarHBondContact O-CD2 3.47Å; K142-F146 PolarHBondContact O-N 2.8Å; K142-F146 VanDerWaalsContact O-N 3.13Å; L143-F146 PolarHBondContact O-N 3.34Å; E144-F146 VanDerWaalsContact C-N 3.33Å; E144-F146 PolarHBondContact O-N 3.25Å; F146-K149 PolarHBondContact O-N 3Å; F146-S150 PolarHBondContact O-N 3.07Å
147R94.9Very high90.1Very high112 Ų112102 Ų10242%0.42349%0.489SS..Hα-helixtrans-62.5-41.5172.9-73.4169.9174.2160.84.8111.9L143 E144 S150 R151L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 2.93Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 WeakPolarHBondContact OE1-CD 3.49Å; E144-R147 IonicContact OE1-CZ 2.65Å; E144-R147 IonicContact OE1-NH1 3.45Å; E144-R147 PolarHBondContact OE1-NH1 3.4Å; E144-R147 VanDerWaalsContact OE2-CD 3.29Å; E144-R147 WeakPolarHBondContact OE2-CD 3.49Å; R147-S150 PolarHBondContact O-N 3.48Å; R147-R151 WeakPolarHBondContact O-CG 3.35Å; R147-R151 PolarHBondContact O-N 3.49Å; R147-R151 VanDerWaalsContact O-N 3.1Å
148A94.1Very high91.4Very high58 Ų58103.6 Ų103.648%0.47949%0.491SS..Hα-helixtrans-64.4-44176.200000111.4E144 E145 R151 E152E144-A148 WeakPolarHBondContact O-CB 3.33Å; E144-A148 PolarHBondContact O-N 3.21Å; E145-A148 PolarHBondContact O-N 3.31Å; A148-R151 PolarHBondContact O-N 3.35Å; A148-E152 PolarHBondContact O-N 2.84Å; A148-E152 VanDerWaalsContact O-N 3.11Å
149K95.3Very high92.4Very high119 Ų119103.3 Ų103.352%0.51749%0.488SS..Hα-helixtrans-62.5-41.8174.4-75.7172.2179.31710112.5E145 F146 R151 E152 W153E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.34Å; E145-K149 PolarHBondContact O-N 3.4Å; F146-K149 PolarHBondContact O-N 3Å; K149-R151 PolarHBondContact O-N 3.12Å; K149-E152 PolarHBondContact O-N 3.4Å; K149-E152 VanDerWaalsContact O-N 3.15Å; K149-W153 PolarHBondContact O-N 3.01Å
150S92.2Very high93Very high63 Ų63105 Ų10544%0.44149%0.488SS..Hα-helixtrans-56.6-51.1174.5-164.80000110.9F146 R147 E152 W153 D154F146-S150 PolarHBondContact O-N 3.07Å; R147-S150 PolarHBondContact O-N 3.48Å; S150-E152 PolarHBondContact O-N 2.95Å; S150-E152 VanDerWaalsContact O-N 3.16Å; S150-W153 WeakPolarHBondContact O-CB 3.47Å; S150-W153 PolarHBondContact O-N 3.33Å; S150-D154 PolarHBondContact O-N 3.12Å
151R96.1Very high93.9Very high159 Ų159106.1 Ų106.160%0.649%0.49SS*.Hα-helixtrans-61.6-24.6178.1-66178.3-156-152.111.1113.9R147 A148 K149 D154 K155R147-R151 WeakPolarHBondContact O-CG 3.35Å; R147-R151 PolarHBondContact O-N 3.49Å; R147-R151 VanDerWaalsContact O-N 3.1Å; A148-R151 PolarHBondContact O-N 3.35Å; K149-R151 PolarHBondContact O-N 3.12Å; R151-D154 WeakPolarHBondContact CA-OD2 3.28Å; R151-K155 WeakPolarHBondContact O-CG 3.31Å; R151-K155 PolarHBondContact O-N 3.41Å
152E94.5Very high94.2Very high86 Ų86104.4 Ų104.440%0.40249%0.488SS..Hα-helixtrans-79-39.4174.4-163.457.6-140.100111.3A148 K149 S150 D154 K155 Q156A148-E152 PolarHBondContact O-N 2.84Å; A148-E152 VanDerWaalsContact O-N 3.11Å; K149-E152 PolarHBondContact O-N 3.4Å; K149-E152 VanDerWaalsContact O-N 3.15Å; S150-E152 PolarHBondContact O-N 2.95Å; S150-E152 VanDerWaalsContact O-N 3.16Å; E152-D154 VanDerWaalsContact C-N 3.35Å; E152-K155 WeakPolarHBondContact O-CB 3.32Å; E152-K155 PolarHBondContact O-N 3.41Å; E152-K155 IonicContact OE2-NZ 3.25Å; E152-K155 PolarHBondContact OE2-NZ 3.21Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.25Å
153W91.6Very high94.4Very high187 Ų187104.4 Ų104.471%0.70849%0.489SS*.Hα-helixtrans-61.5-41.7170.3-70.3118.7000112.2K149 S150 K155 Q156 E157K149-W153 PolarHBondContact O-N 3.01Å; S150-W153 WeakPolarHBondContact O-CB 3.47Å; S150-W153 PolarHBondContact O-N 3.33Å; W153-K155 VanDerWaalsContact C-N 3.27Å; W153-K155 PolarHBondContact O-N 3.23Å; W153-Q156 HydrophobicContact CE3-CB 4.5Å; W153-Q156 PolarHBondContact O-N 3.48Å; W153-Q156 VanDerWaalsContact O-N 3.07Å; W153-E157 PolarHBondContact O-N 2.93Å
154D95.1Very high94.7Very high75 Ų75106.4 Ų106.440%0.40150%0.499SS..Hα-helixtrans-58-39.2175.3-54.2-24000111.3S150 R151 E152 I158S150-D154 PolarHBondContact O-N 3.12Å; R151-D154 WeakPolarHBondContact CA-OD2 3.28Å; E152-D154 VanDerWaalsContact C-N 3.35Å; D154-I158 WeakPolarHBondContact O-CD1 3.5Å; D154-I158 VanDerWaalsContact O-CG1 3.28Å; D154-I158 WeakPolarHBondContact O-CG1 3.45Å; D154-I158 PolarHBondContact O-N 2.94Å; D154-I158 VanDerWaalsContact O-N 3.1Å
155K97.2Very high94.9Very high109 Ų109107.3 Ų107.347%0.47451%0.506SS..Hα-helixtrans-67.3-42174-69.3173.3-149.91630112.3R151 E152 W153 E157 I158 L159R151-K155 WeakPolarHBondContact O-CG 3.31Å; R151-K155 PolarHBondContact O-N 3.41Å; E152-K155 WeakPolarHBondContact O-CB 3.32Å; E152-K155 PolarHBondContact O-N 3.41Å; E152-K155 IonicContact OE2-NZ 3.25Å; E152-K155 PolarHBondContact OE2-NZ 3.21Å; W153-K155 VanDerWaalsContact C-N 3.27Å; W153-K155 PolarHBondContact O-N 3.23Å; K155-E157 VanDerWaalsContact C-N 3.34Å; K155-I158 PolarHBondContact O-N 2.91Å; K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.21Å
156Q94.4Very high95Very high61 Ų61106 Ų10629%0.28551%0.507SS..Hα-helixtrans-63.4-41.5177.5-66.4-60.5-4300110.8E152 W153 L159 Y160E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.25Å; W153-Q156 HydrophobicContact CE3-CB 4.5Å; W153-Q156 PolarHBondContact O-N 3.48Å; W153-Q156 VanDerWaalsContact O-N 3.07Å; Q156-L159 PolarHBondContact O-N 3.28Å; Q156-Y160 HydrophobicContact CB-CD2 4.48Å; Q156-Y160 HydrophobicContact CB-CE2 4.3Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.44Å; Q156-Y160 PolarHBondContact O-N 3.38Å
157E93.9Very high95.1Very high126 Ų126105.1 Ų105.159%0.58951%0.507SS*.Hα-helixtrans-57.4-50.2173.4-176.7174.5-167.700111.3W153 K155 L159 Y160 Q161W153-E157 PolarHBondContact O-N 2.93Å; K155-E157 VanDerWaalsContact C-N 3.34Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.42Å; E157-Y160 PolarHBondContact O-N 2.9Å; E157-Q161 VanDerWaalsContact O-CB 3.29Å; E157-Q161 WeakPolarHBondContact O-CB 3.32Å; E157-Q161 PolarHBondContact O-N 3.46Å
158I96.8Very high95.2Very high105 Ų105102.9 Ų102.954%0.53850%0.504SS..Hα-helixtrans-59.8-40.1177.2-68.4163.8000111.9D154 K155 T162D154-I158 WeakPolarHBondContact O-CD1 3.5Å; D154-I158 VanDerWaalsContact O-CG1 3.28Å; D154-I158 WeakPolarHBondContact O-CG1 3.45Å; D154-I158 PolarHBondContact O-N 2.94Å; D154-I158 VanDerWaalsContact O-N 3.1Å; K155-I158 PolarHBondContact O-N 2.91Å; I158-T162 WeakPolarHBondContact O-CB 3.34Å; I158-T162 PolarHBondContact O-N 3.06Å; I158-T162 PolarHBondContact O-OG1 3.31Å
159L96.2Very high95.2Very high85 Ų85102.8 Ų102.845%0.44550%0.503SS..Hα-helixtrans-63.9-49.8175.6-73.7170.4000111.7K155 Q156 E157 Q161 T162 H163K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.21Å; Q156-L159 PolarHBondContact O-N 3.28Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.42Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 3.09Å; L159-T162 PolarHBondContact O-N 2.84Å; L159-H163 PolarHBondContact O-CD2 2.86Å; L159-H163 PolarHBondContact O-N 3.37Å
160Y94.7Very high95.2Very high158 Ų158102.7 Ų102.762%0.6250%0.504SS*.Hα-helixtrans-63.2-38.3177.9-72.5-57.8000112.3Q156 E157 H163 L164Q156-Y160 HydrophobicContact CB-CD2 4.48Å; Q156-Y160 HydrophobicContact CB-CE2 4.3Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.44Å; Q156-Y160 PolarHBondContact O-N 3.38Å; E157-Y160 PolarHBondContact O-N 2.9Å; Y160-H163 PolarHBondContact O-N 2.88Å; Y160-L164 WeakPolarHBondContact O-CB 3.28Å; Y160-L164 PolarHBondContact O-N 3.36Å
161Q96Very high95.4Very high115 Ų115106.2 Ų106.254%0.53751%0.513SS..Hα-helixtrans-67.9-37.4176.9-163.3166.638.600111.6E157 L159 L164 I165E157-Q161 VanDerWaalsContact O-CB 3.29Å; E157-Q161 WeakPolarHBondContact O-CB 3.32Å; E157-Q161 PolarHBondContact O-N 3.46Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 3.09Å; Q161-L164 WeakPolarHBondContact O-CB 3.43Å; Q161-L164 PolarHBondContact O-N 3.31Å; Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.27Å; Q161-I165 WeakPolarHBondContact O-CG1 3.3Å; Q161-I165 PolarHBondContact O-N 3.49Å
162T96Very high95.4Very high82 Ų82104.6 Ų104.650%0.50351%0.511SS..Hα-helixtrans-63.9-43.3172.1-58.80000111.5I158 L159 I165 S166I158-T162 WeakPolarHBondContact O-CB 3.34Å; I158-T162 PolarHBondContact O-N 3.06Å; I158-T162 PolarHBondContact O-OG1 3.31Å; L159-T162 PolarHBondContact O-N 2.84Å; T162-I165 PolarHBondContact O-N 3.01Å; T162-S166 PolarHBondContact O-N 3.07Å
163H96.4Very high95.5Very high111 Ų111105.1 Ų105.151%0.51452%0.516SS..Hα-helixtrans-60.9-43.7173.4-77-59.9000111.9L159 Y160 I165 S166 L167L159-H163 PolarHBondContact O-CD2 2.86Å; L159-H163 PolarHBondContact O-N 3.37Å; Y160-H163 PolarHBondContact O-N 2.88Å; H163-I165 PolarHBondContact O-N 2.85Å; H163-S166 PolarHBondContact O-N 3.01Å; H163-S166 PolarHBondContact O-OG 3.35Å; H163-L167 WeakPolarHBondContact O-CG 3.05Å; H163-L167 PolarHBondContact O-N 3.32Å
164L96.1Very high95.6Very high123 Ų123100.9 Ų100.964%0.64451%0.507SS*.Hα-helixtrans-59.1-45.1177.3-15781.7000111.9Y160 Q161 S166 L167 D168Y160-L164 WeakPolarHBondContact O-CB 3.28Å; Y160-L164 PolarHBondContact O-N 3.36Å; Q161-L164 WeakPolarHBondContact O-CB 3.43Å; Q161-L164 PolarHBondContact O-N 3.31Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.46Å; L164-L167 PolarHBondContact O-N 3.28Å; L164-D168 PolarHBondContact O-N 3.07Å
165I96.6Very high95.4Very high107 Ų107100.4 Ų100.455%0.54951%0.509SS..Hα-helixtrans-62.2-41.1176.2-67.5162.1000111.1Q161 T162 H163 L167 D168 A169Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.27Å; Q161-I165 WeakPolarHBondContact O-CG1 3.3Å; Q161-I165 PolarHBondContact O-N 3.49Å; T162-I165 PolarHBondContact O-N 3.01Å; H163-I165 PolarHBondContact O-N 2.85Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.88Å; I165-D168 PolarHBondContact O-N 3.02Å; I165-A169 WeakPolarHBondContact O-CB 3.48Å; I165-A169 PolarHBondContact O-N 3.03Å
166S93.3Very high95.3Very high62 Ų62100.4 Ų100.443%0.43451%0.511SS..Hα-helixtrans-65.8-36.1177.974.50000113T162 H163 L164 Q170T162-S166 PolarHBondContact O-N 3.07Å; H163-S166 PolarHBondContact O-N 3.01Å; H163-S166 PolarHBondContact O-OG 3.35Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.46Å; S166-Q170 PolarHBondContact O-N 2.72Å
167L95.9Very high95.4Very high104 Ų104102.6 Ų102.655%0.54552%0.519SS..Hα-helixtrans-70.8-43176.7-73.8166.5000112H163 L164 I165 A169 Q170 Q171H163-L167 WeakPolarHBondContact O-CG 3.05Å; H163-L167 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 3.28Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.88Å; L167-A169 VanDerWaalsContact C-N 3.35Å; L167-A169 PolarHBondContact O-N 3.46Å; L167-Q170 PolarHBondContact O-N 3.04Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.33Å
168D96.2Very high95.1Very high66 Ų66100.6 Ų100.635%0.35352%0.518SS..Hα-helixtrans-60.9-41.9173.5167.973.3000111.8L164 I165 Q170 Q171 K172L164-D168 PolarHBondContact O-N 3.07Å; I165-D168 PolarHBondContact O-N 3.02Å; D168-Q170 PolarHBondContact O-N 2.91Å; D168-Q171 PolarHBondContact O-N 3.31Å; D168-K172 VanDerWaalsContact CG-NZ 3.3Å; D168-K172 WeakPolarHBondContact O-CB 3.37Å; D168-K172 WeakPolarHBondContact O-CG 3.43Å; D168-K172 PolarHBondContact O-N 2.95Å; D168-K172 WeakPolarHBondContact OD1-CE 3.49Å; D168-K172 IonicContact OD1-NZ 3.5Å; D168-K172 PolarHBondContact OD1-NZ 2.86Å; D168-K172 VanDerWaalsContact OD1-NZ 3.15Å; D168-K172 WeakPolarHBondContact OD2-CE 3.3Å; D168-K172 IonicContact OD2-NZ 3.3Å; D168-K172 PolarHBondContact OD2-NZ 3.46Å
169A94.6Very high94.9Very high55 Ų5599.1 Ų99.146%0.45551%0.512SS..Hα-helixtrans-61.6-42.217400000112.3I165 L167 K172 L173I165-A169 WeakPolarHBondContact O-CB 3.48Å; I165-A169 PolarHBondContact O-N 3.03Å; L167-A169 VanDerWaalsContact C-N 3.35Å; L167-A169 PolarHBondContact O-N 3.46Å; A169-K172 PolarHBondContact O-N 3.4Å; A169-L173 PolarHBondContact O-N 3.3Å
170Q95.4Very high94.9Very high117 Ų117100.3 Ų100.355%0.54752%0.515SS..Hα-helixtrans-65.3-41.3175.1-174.6178.6-10.100112S166 L167 D168 L173 L174S166-Q170 PolarHBondContact O-N 2.72Å; L167-Q170 PolarHBondContact O-N 3.04Å; D168-Q170 PolarHBondContact O-N 2.91Å; Q170-L173 PolarHBondContact O-N 2.79Å; Q170-L174 HydrophobicContact CG-CD1 4.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.46Å; Q170-L174 PolarHBondContact O-N 2.86Å
171Q95.8Very high94.8Very high137 Ų13799.3 Ų99.364%0.6451%0.514SS*.Hα-helixtrans-62.2-42.7176.2-175.9179.50.300111.6L167 D168 L174 S175L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.33Å; D168-Q171 PolarHBondContact O-N 3.31Å; Q171-L174 PolarHBondContact O-N 3.4Å; Q171-S175 WeakPolarHBondContact O-CB 3.46Å; Q171-S175 PolarHBondContact O-N 2.84Å
172K96Very high94.6Very high125 Ų12599.1 Ų99.154%0.54351%0.513SS..Hα-helixtrans-61.9-45.4175.5-76.7167.4178.4162.60112D168 A169 L174 S175 E176D168-K172 VanDerWaalsContact CG-NZ 3.3Å; D168-K172 WeakPolarHBondContact O-CB 3.37Å; D168-K172 WeakPolarHBondContact O-CG 3.43Å; D168-K172 PolarHBondContact O-N 2.95Å; D168-K172 WeakPolarHBondContact OD1-CE 3.49Å; D168-K172 IonicContact OD1-NZ 3.5Å; D168-K172 PolarHBondContact OD1-NZ 2.86Å; D168-K172 VanDerWaalsContact OD1-NZ 3.15Å; D168-K172 WeakPolarHBondContact OD2-CE 3.3Å; D168-K172 IonicContact OD2-NZ 3.3Å; D168-K172 PolarHBondContact OD2-NZ 3.46Å; A169-K172 PolarHBondContact O-N 3.4Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-L174 PolarHBondContact O-N 3.03Å; K172-S175 WeakPolarHBondContact O-CB 3.45Å; K172-S175 PolarHBondContact O-N 3.49Å; K172-E176 PolarHBondContact O-N 2.97Å
173L96.5Very high94.5Very high98 Ų98102.1 Ų102.151%0.51352%0.519SS..Hα-helixtrans-62.6-38.9176.8-174.768.3000112.5A169 Q170 K177A169-L173 PolarHBondContact O-N 3.3Å; Q170-L173 PolarHBondContact O-N 2.79Å; L173-K177 PolarHBondContact O-N 2.69Å; L173-K177 VanDerWaalsContact O-N 3.11Å
174L93.6Very high94.2Very high98 Ų98101.3 Ų101.351%0.51352%0.516SS..Hα-helixtrans-66.6-43.3174.8-73.2169.3000111.7Q170 Q171 K172 E176 K177 C178Q170-L174 HydrophobicContact CG-CD1 4.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.46Å; Q170-L174 PolarHBondContact O-N 2.86Å; Q171-L174 PolarHBondContact O-N 3.4Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-L174 PolarHBondContact O-N 3.03Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.48Å; L174-K177 PolarHBondContact O-N 2.87Å; L174-C178 PolarHBondContact O-N 2.95Å; L174-C178 PolarHBondContact O-SG 3.14Å; L174-C178 VanDerWaalsContact O-SG 3.4Å
175S91.3Very high93.5Very high64 Ų6498.3 Ų98.345%0.44851%0.509SS..Hα-helixtrans-59-44.3174.4-176.20000111.7Q171 K172 K177 C178 N179Q171-S175 WeakPolarHBondContact O-CB 3.46Å; Q171-S175 PolarHBondContact O-N 2.84Å; K172-S175 WeakPolarHBondContact O-CB 3.45Å; K172-S175 PolarHBondContact O-N 3.49Å; S175-K177 PolarHBondContact O-N 2.81Å; S175-C178 WeakPolarHBondContact O-CB 3.26Å; S175-C178 PolarHBondContact O-N 3.11Å; S175-N179 VanDerWaalsContact O-CG 3.3Å; S175-N179 PolarHBondContact O-N 2.92Å; S175-N179 PolarHBondContact O-ND2 2.86Å; S175-N179 VanDerWaalsContact O-ND2 3.08Å
176E96Very high93.1Very high109 Ų10998.1 Ų98.151%0.50951%0.505SS..Hα-helixtrans-61.6-42.8176.7-169175.2-174.700112.4K172 L174 C178 N179 Q180K172-E176 PolarHBondContact O-N 2.97Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.48Å; E176-C178 PolarHBondContact O-N 3.49Å; E176-N179 PolarHBondContact O-N 2.82Å; E176-Q180 WeakPolarHBondContact O-CG 3.47Å; E176-Q180 PolarHBondContact O-N 3.18Å
177K95.2Very high92.8Very high107 Ų10798.3 Ų98.347%0.46551%0.506SS..Hα-helixtrans-61.4-42.8173.5-75.4-173.5176.4-174.40112.7L173 L174 S175 N179 Q180 F181L173-K177 PolarHBondContact O-N 2.69Å; L173-K177 VanDerWaalsContact O-N 3.11Å; L174-K177 PolarHBondContact O-N 2.87Å; S175-K177 PolarHBondContact O-N 2.81Å; K177-N179 VanDerWaalsContact C-N 3.33Å; K177-N179 PolarHBondContact O-N 3.04Å; K177-Q180 PolarHBondContact O-N 3.11Å; K177-F181 HydrophobicContact CB-CE2 4.48Å; K177-F181 WeakPolarHBondContact O-CD2 3.37Å; K177-F181 PolarHBondContact O-N 3.47Å
178C88.1Confident92.1Very high84 Ų8499.7 Ų99.757%0.56851%0.505SS*.Hα-helixtrans-59.3-43.8174.8-70.50000111.7L174 S175 E176 Q180 F181 Q182L174-C178 PolarHBondContact O-N 2.95Å; L174-C178 PolarHBondContact O-SG 3.14Å; L174-C178 VanDerWaalsContact O-SG 3.4Å; S175-C178 WeakPolarHBondContact O-CB 3.26Å; S175-C178 PolarHBondContact O-N 3.11Å; E176-C178 PolarHBondContact O-N 3.49Å; C178-Q180 VanDerWaalsContact C-N 3.33Å; C178-Q180 PolarHBondContact O-N 3.38Å; C178-F181 PolarHBondContact O-N 2.99Å; C178-Q182 PolarHBondContact O-N 3.02Å
179N93.8Very high91.3Very high75 Ų75102.6 Ų102.640%0.40152%0.517SS..Hα-helixtrans-63.7-36.2176.3-68.2-38.2000112.6S175 E176 K177 K183S175-N179 VanDerWaalsContact O-CG 3.3Å; S175-N179 PolarHBondContact O-N 2.92Å; S175-N179 PolarHBondContact O-ND2 2.86Å; S175-N179 VanDerWaalsContact O-ND2 3.08Å; E176-N179 PolarHBondContact O-N 2.82Å; K177-N179 VanDerWaalsContact C-N 3.33Å; K177-N179 PolarHBondContact O-N 3.04Å; N179-K183 WeakPolarHBondContact O-CG 3.43Å; N179-K183 PolarHBondContact O-N 3.36Å; N179-K183 VanDerWaalsContact O-N 3.09Å
180Q95.1Very high90.6Very high110 Ų110104.7 Ų104.751%0.51452%0.524SS..Hα-helixtrans-65.1-47.1174.4-71.1172.71100111.6E176 K177 C178 Q182 K183 Q184E176-Q180 WeakPolarHBondContact O-CG 3.47Å; E176-Q180 PolarHBondContact O-N 3.18Å; K177-Q180 PolarHBondContact O-N 3.11Å; C178-Q180 VanDerWaalsContact C-N 3.33Å; C178-Q180 PolarHBondContact O-N 3.38Å; Q180-Q182 VanDerWaalsContact C-N 3.34Å; Q180-Q182 PolarHBondContact O-N 3Å; Q180-K183 PolarHBondContact O-N 2.98Å; Q180-Q184 PolarHBondContact O-N 3.34Å
181F92.9Very high89.8Confident136 Ų136105.1 Ų105.160%0.59653%0.526SS*.Hα-helixtrans-62.4-38.6175.9-68.9-52.7000112.6K177 C178 Q184 A185K177-F181 HydrophobicContact CB-CE2 4.48Å; K177-F181 WeakPolarHBondContact O-CD2 3.37Å; K177-F181 PolarHBondContact O-N 3.47Å; C178-F181 PolarHBondContact O-N 2.99Å; F181-Q184 PolarHBondContact O-N 3.39Å; F181-A185 PolarHBondContact O-N 3.45Å
182Q92.3Very high88.3Confident111 Ų111104.9 Ų104.952%0.51953%0.529SS..Hα-helixtrans-62.4-45.4176-173.2176.98.600112C178 Q180 Q184 A185 Q186C178-Q182 PolarHBondContact O-N 3.02Å; Q180-Q182 VanDerWaalsContact C-N 3.34Å; Q180-Q182 PolarHBondContact O-N 3Å; Q182-Q184 VanDerWaalsContact C-N 3.33Å; Q182-Q184 PolarHBondContact O-N 3.38Å; Q182-A185 PolarHBondContact O-N 2.98Å; Q182-Q186 WeakPolarHBondContact O-CG 3.43Å; Q182-Q186 PolarHBondContact O-N 3.29Å; Q182-Q186 VanDerWaalsContact O-N 3.07Å
183K92.5Very high86.6Confident146 Ų146104.3 Ų104.364%0.63553%0.531SS*.Hα-helixtrans-63.2-38.2175.1-73.1176.5179.9-178.90112.2N179 Q180 Q186 S187N179-K183 WeakPolarHBondContact O-CG 3.43Å; N179-K183 PolarHBondContact O-N 3.36Å; N179-K183 VanDerWaalsContact O-N 3.09Å; Q180-K183 PolarHBondContact O-N 2.98Å; K183-Q186 PolarHBondContact O-N 3.41Å; K183-S187 PolarHBondContact O-N 2.88Å
184Q91.4Very high84.7Confident94 Ų94102.4 Ų102.444%0.43954%0.535SS..Hα-helixtrans-64.1-44.5176.2-170.8-179.26.800111.6Q180 F181 Q182 Q186 S187 Y188Q180-Q184 PolarHBondContact O-N 3.34Å; F181-Q184 PolarHBondContact O-N 3.39Å; Q182-Q184 VanDerWaalsContact C-N 3.33Å; Q182-Q184 PolarHBondContact O-N 3.38Å; Q184-Q186 PolarHBondContact O-N 2.96Å; Q184-S187 WeakPolarHBondContact O-CB 3.45Å; Q184-S187 PolarHBondContact O-N 3.49Å; Q184-Y188 HydrophobicContact CG-CD2 4.22Å; Q184-Y188 HydrophobicContact CG-CE2 3.69Å; Q184-Y188 VanDerWaalsContact O-CD2 3.27Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.3Å; Q184-Y188 PolarHBondContact O-N 3.03Å
185A81.9Confident82.8Confident60 Ų60106.5 Ų106.550%0.49655%0.549SS..Hα-helixtrans-60.5-43.817600000112.3F181 Q182 S187 Y188 Q189F181-A185 PolarHBondContact O-N 3.45Å; Q182-A185 PolarHBondContact O-N 2.98Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 2.85Å; A185-Y188 PolarHBondContact O-N 2.96Å; A185-Q189 PolarHBondContact O-N 3.49Å; A185-Q189 VanDerWaalsContact O-N 3.16Å
186Q87.8Confident80.9Confident103 Ų103111 Ų11148%0.48156%0.56SS.*Hα-helixtrans-61.2-39.2175.1-71.9171.3-17.500112.3Q182 K183 Q184 Y188 Q189 T190Q182-Q186 WeakPolarHBondContact O-CG 3.43Å; Q182-Q186 PolarHBondContact O-N 3.29Å; Q182-Q186 VanDerWaalsContact O-N 3.07Å; K183-Q186 PolarHBondContact O-N 3.41Å; Q184-Q186 PolarHBondContact O-N 2.96Å; Q186-Y188 PolarHBondContact O-N 3.35Å; Q186-Q189 PolarHBondContact O-N 2.91Å; Q186-T190 PolarHBondContact O-N 3.49Å; Q186-T190 VanDerWaalsContact O-N 3.11Å; Q186-T190 PolarHBondContact O-OG1 3.49Å
187S87.1Confident78.3Confident65 Ų65114.2 Ų114.246%0.45558%0.576SS.*Hα-helixtrans-62.2-43.1177.4-171.50000112.6K183 Q184 A185 Q189 T190 Q191K183-S187 PolarHBondContact O-N 2.88Å; Q184-S187 WeakPolarHBondContact O-CB 3.45Å; Q184-S187 PolarHBondContact O-N 3.49Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 2.85Å; S187-Q189 VanDerWaalsContact C-N 3.34Å; S187-Q189 PolarHBondContact O-N 3.43Å; S187-T190 PolarHBondContact O-N 3.23Å; S187-Q191 PolarHBondContact O-N 3.07Å
188Y80.7Confident75.6Confident134 Ų134115 Ų11553%0.52559%0.594SS.*Hα-helixtrans-64.3-37.9175.2-72.1-59000112.5Q184 A185 Q186 T190 Q191 L192Q184-Y188 HydrophobicContact CG-CD2 4.22Å; Q184-Y188 HydrophobicContact CG-CE2 3.69Å; Q184-Y188 VanDerWaalsContact O-CD2 3.27Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.3Å; Q184-Y188 PolarHBondContact O-N 3.03Å; A185-Y188 PolarHBondContact O-N 2.96Å; Q186-Y188 PolarHBondContact O-N 3.35Å; Y188-T190 VanDerWaalsContact C-N 3.35Å; Y188-T190 PolarHBondContact O-N 2.98Å; Y188-Q191 PolarHBondContact O-N 3.17Å; Y188-L192 PolarHBondContact O-N 3.37Å
189Q80.2Confident73.5Confident127 Ų127119.1 Ų119.159%0.59361%0.609SS**Hα-helixtrans-62.8-40.4177.2-167.71704.100111.9A185 Q186 S187 L192 N193A185-Q189 PolarHBondContact O-N 3.49Å; A185-Q189 VanDerWaalsContact O-N 3.16Å; Q186-Q189 PolarHBondContact O-N 2.91Å; S187-Q189 VanDerWaalsContact C-N 3.34Å; S187-Q189 PolarHBondContact O-N 3.43Å; Q189-L192 PolarHBondContact O-N 2.99Å; Q189-N193 PolarHBondContact O-N 3.44Å
190T78.6Confident70.8Confident99 Ų99124.4 Ų124.461%0.60763%0.631SS**Hα-helixtrans-65.8-37.8175.3-54.90000112.6Q186 S187 Y188 L192 N193 G194Q186-T190 PolarHBondContact O-N 3.49Å; Q186-T190 VanDerWaalsContact O-N 3.11Å; Q186-T190 PolarHBondContact O-OG1 3.49Å; S187-T190 PolarHBondContact O-N 3.23Å; Y188-T190 VanDerWaalsContact C-N 3.35Å; Y188-T190 PolarHBondContact O-N 2.98Å; T190-L192 VanDerWaalsContact C-N 3.33Å; T190-L192 PolarHBondContact O-N 3.46Å; T190-N193 PolarHBondContact O-N 3.4Å; T190-G194 PolarHBondContact O-N 3.28Å; T190-G194 VanDerWaalsContact O-N 3.12Å
191Q78.8Confident67.7Low126 Ų126127 Ų12759%0.58965%0.649SS**Hα-helixtrans-66-32.7177.1-71.4-177.72800113.3S187 Y188S187-Q191 PolarHBondContact O-N 3.07Å; Y188-Q191 PolarHBondContact O-N 3.17Å
192L63.9Low64.8Low132 Ų132126.7 Ų126.769%0.69166%0.663SS**Hα-helixtrans-67.9-42.6174.8-72.6167.2000111.4Y188 Q189 T190 G194 K195Y188-L192 PolarHBondContact O-N 3.37Å; Q189-L192 PolarHBondContact O-N 2.99Å; T190-L192 VanDerWaalsContact C-N 3.33Å; T190-L192 PolarHBondContact O-N 3.46Å; L192-G194 PolarHBondContact O-N 3.17Å; L192-K195 PolarHBondContact O-N 2.95Å
193N61.3Low62.1Low112 Ų112126.6 Ų126.660%0.59968%0.675SS**Hα-helixtrans-66.5-36.8179.7-68.6-11000112.5Q189 T190 K195 K196Q189-N193 PolarHBondContact O-N 3.44Å; T190-N193 PolarHBondContact O-N 3.4Å; N193-K195 PolarHBondContact O-N 3.45Å; N193-K195 VanDerWaalsContact O-N 3.16Å; N193-K196 PolarHBondContact O-N 2.92Å
194G55.3Low59.3Low58 Ų58124.3 Ų124.360%0.59868%0.677SS**THydrogen-bonded Turntrans-64.5-16-179.800000115.6T190 L192T190-G194 PolarHBondContact O-N 3.28Å; T190-G194 VanDerWaalsContact O-N 3.12Å; L192-G194 PolarHBondContact O-N 3.17Å
195K54.4Low56.2Low185 Ų185128 Ų12880%0.80470%0.695SS**THydrogen-bonded Turntrans-85.7-7.9177.2-79.1-175.3174.3-179.80114.5L192 N193 Q197L192-K195 PolarHBondContact O-N 2.95Å; N193-K195 PolarHBondContact O-N 3.45Å; N193-K195 VanDerWaalsContact O-N 3.16Å; K195-Q197 VanDerWaalsContact C-N 3.34Å; K195-Q197 PolarHBondContact O-N 3.36Å
196K50.5Low54Low157 Ų157132.5 Ų132.568%0.68371%0.709SS**SBendtrans-88.87.9-171.1-140.8-177.1179.1-168.80114.8N193 H428N193-K196 PolarHBondContact O-N 2.92Å; K196-H428 PolarHBondContact NZ-NE2 3.06Å
197Q42Very low51.5Low177 Ų177133.7 Ų133.783%0.82773%0.725SS**SBendtrans-125.927.2-162.3-148.2167.922.100114.1K195K195-Q197 VanDerWaalsContact C-N 3.34Å; K195-Q197 PolarHBondContact O-N 3.36Å
198C39.8Very low49.3Very low125 Ų125141.8 Ų141.885%0.84575%0.746SS**SBendtrans-135.123.3-170-130.90000113.7
199L44Very low46.9Very low170 Ų170143.1 Ų143.189%0.8976%0.761SS**  trans-147.735.7-166-120.4163.4000114.4
200E35.7Very low44.6Very low185 Ų185143.9 Ų143.986%0.86477%0.768SS**  trans-133.6108.8163.3-76-170.8143.600108.4
201D29.7Very low42.2Very low165 Ų165145 Ų14588%0.88278%0.778SS**  trans177.194.9155.7-100.5-23.2000109.5
202S33.2Very low39.9Very low130 Ų130146.7 Ų146.791%0.90979%0.791SS**  trans177.2103.5153.6-800000110.7
203S34.6Very low39.2Very low109 Ų109146 Ų14676%0.76280%0.795SS**  trans-83.7160.6169.758.40000112.4
204S33.9Very low37.9Very low98 Ų98148.6 Ų148.669%0.68581%0.809SS**  164.9130.6115.7-810000116
205E26.5Very low37.9Very low172 Ų172150.5 Ų150.580%0.80481%0.811SS**  trans60.4101.4136.2-58.4-177.6136.100124.1
206I36.3Very low37.5Very low154 Ų154149.1 Ų149.179%0.7981%0.812SS**  31.8125.3111.6-54.4173.5000117.1
207P35.7Very low37.3Very low127 Ų127146.9 Ų146.983%0.82582%0.815SS**  -152.8173.472.537.2-14.4000119.9
208R41.2Very low37.7Very low236 Ų236144.3 Ų144.389%0.89180%0.803SS**  trans-88.7159.9-171.8-49.8172.5177.8-152.8-4.7114.4
209L28.9Very low38.5Very low161 Ų161142.1 Ų142.184%0.84378%0.782SS**  trans-167.2107.2142.9-108.7161.3000115.9
210I32.3Very low39.1Very low143 Ų143140.1 Ų140.173%0.73377%0.772SS**  trans13.8126.4144.7-53.5170.1000120.5
211C28.3Very low40.4Very low123 Ų123138.4 Ų138.483%0.83176%0.764SS**  -172142.7118.2-106.30000112.8
212D29.6Very low42.5Very low161 Ų161136.8 Ų136.886%0.86175%0.746SS**PPolyproline II helixtrans-79.8152.1-175.3-63.6-62.8000114.5
213P49.5Very low44.5Very low119 Ų119134.4 Ų134.477%0.77372%0.723SS**PPolyproline II helixtrans-102.6159171.938.6-32.5000113.9
214D34.6Very low46.7Very low166 Ų166136 Ų13689%0.88872%0.718SS**PPolyproline II helixtrans-102.6124.3175.4-158.15.8000110.4
215P54.5Low49.1Very low98 Ų98137.4 Ų137.464%0.63671%0.712SS**  trans-107.4112.9-163.636.3-29.4000113.9
216N46.3Very low52Low156 Ų156133.4 Ų133.483%0.83470%0.695SS**SBendtrans-156.315.9168.5-134.5-1.2000119
217C46.9Very low54.3Low109 Ų109130.3 Ų130.374%0.73668%0.68SS**SBendtrans-124.5-28.7179.1-1500000114.5I219C217-I219 PolarHBondContact O-N 2.93Å
218E50.7Low57Low123 Ų123129.4 Ų129.458%0.57566%0.664SS**Hα-helixtrans-81.4-6.9-174.1-61.6-175.716500115.7R222E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.1Å; E218-R222 PolarHBondContact O-NE 3.04Å; E218-R222 IonicContact OE2-CZ 2.69Å; E218-R222 IonicContact OE2-NH1 2.67Å; E218-R222 PolarHBondContact OE2-NH1 2.94Å; E218-R222 IonicContact OE2-NH2 2.81Å; E218-R222 PolarHBondContact OE2-NH2 3.06Å
219I55.3Low59.4Low79 Ų79124.3 Ų124.341%0.40565%0.648SS.*Hα-helixtrans-73-48.2-172.3-61.1175.3000110.3C217 E221 R222 D223C217-I219 PolarHBondContact O-N 2.93Å; I219-E221 PolarHBondContact O-N 2.87Å; I219-R222 PolarHBondContact O-N 3.24Å; I219-D223 PolarHBondContact O-N 3Å
220N58.2Low62.4Low129 Ų129121.8 Ų121.869%0.6964%0.635SS**Hα-helixtrans-63.9-40.3-175-65.2-12.7000113.3D223 E224N220-D223 PolarHBondContact O-N 3.37Å; N220-E224 PolarHBondContact O-N 3.31Å
221E62.7Low65.2Low148 Ų148119.8 Ų119.869%0.69262%0.621SS**Hα-helixtrans-70-34.9178.8-63.9-176.4173.100112I219 F225I219-E221 PolarHBondContact O-N 2.87Å; E221-F225 WeakPolarHBondContact O-CB 3.34Å; E221-F225 PolarHBondContact O-N 3.33Å; E221-F225 VanDerWaalsContact O-N 3.14Å
222R72.7Confident68.2Low131 Ų131116.8 Ų116.849%0.49460%0.602SS.*Hα-helixtrans-68-42.8173.5-74.4-171.2-69-133-1.7111.5E218 I219 F225 I226E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.1Å; E218-R222 PolarHBondContact O-NE 3.04Å; E218-R222 IonicContact OE2-CZ 2.69Å; E218-R222 IonicContact OE2-NH1 2.67Å; E218-R222 PolarHBondContact OE2-NH1 2.94Å; E218-R222 IonicContact OE2-NH2 2.81Å; E218-R222 PolarHBondContact OE2-NH2 3.06Å; I219-R222 PolarHBondContact O-N 3.24Å; R222-F225 PolarHBondContact O-N 3.26Å; R222-I226 WeakPolarHBondContact O-CB 3.49Å; R222-I226 WeakPolarHBondContact O-CD1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.47Å; R222-I226 PolarHBondContact O-N 3.09Å
223D74.7Confident71.2Confident80 Ų80111.1 Ų111.143%0.42858%0.577SS.*Hα-helixtrans-64.1-40.8177.7-71.9-18.7000111.8I219 N220 I226 I227I219-D223 PolarHBondContact O-N 3Å; N220-D223 PolarHBondContact O-N 3.37Å; D223-I226 PolarHBondContact O-N 3.16Å; D223-I227 WeakPolarHBondContact O-CB 3.44Å; D223-I227 WeakPolarHBondContact O-CD1 3.47Å; D223-I227 VanDerWaalsContact O-CG1 3.23Å; D223-I227 WeakPolarHBondContact O-CG1 3.33Å; D223-I227 PolarHBondContact O-N 3.26Å
224E81.9Confident73.4Confident144 Ų144109.8 Ų109.867%0.67357%0.567SS**Hα-helixtrans-63.3-41.7175.3-172.1163.8-153.200112.2N220 I227 E228N220-E224 PolarHBondContact O-N 3.31Å; E224-I227 PolarHBondContact O-N 3.31Å; E224-E228 PolarHBondContact O-N 3.32Å
225F83.7Confident76.1Confident127 Ų127106.8 Ų106.856%0.55755%0.551SS**Hα-helixtrans-65.9-37.9174.3179.2-113.8000113.3E221 R222 E228 K229E221-F225 WeakPolarHBondContact O-CB 3.34Å; E221-F225 PolarHBondContact O-N 3.33Å; E221-F225 VanDerWaalsContact O-N 3.14Å; R222-F225 PolarHBondContact O-N 3.26Å; F225-E228 PolarHBondContact O-N 3.41Å; F225-K229 HydrophobicContact CD1-CD 4.45Å; F225-K229 HydrophobicContact CE1-CD 4.01Å; F225-K229 VanDerWaalsContact CE1-CE 3.5Å; F225-K229 HydrophobicContact CZ-CD 4.19Å; F225-K229 PolarHBondContact O-N 3.43Å
226I87.6Confident78Confident87 Ų87108.3 Ų108.345%0.44655%0.549SS..Hα-helixtrans-64.9-44.4174.2-70.6162.4000110.2R222 D223 E228 K229 L230R222-I226 WeakPolarHBondContact O-CB 3.49Å; R222-I226 WeakPolarHBondContact O-CD1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.47Å; R222-I226 PolarHBondContact O-N 3.09Å; D223-I226 PolarHBondContact O-N 3.16Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 2.93Å; I226-K229 PolarHBondContact O-N 3.32Å; I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.48Å; I226-L230 WeakPolarHBondContact O-CG 3.36Å; I226-L230 PolarHBondContact O-N 3.22Å
227I85.9Confident80.2Confident90 Ų90106.5 Ų106.546%0.46254%0.538SS..Hα-helixtrans-59.1-43.9176-74.3163.8000110.9D223 E224 L230 K231D223-I227 WeakPolarHBondContact O-CB 3.44Å; D223-I227 WeakPolarHBondContact O-CD1 3.47Å; D223-I227 VanDerWaalsContact O-CG1 3.23Å; D223-I227 WeakPolarHBondContact O-CG1 3.33Å; D223-I227 PolarHBondContact O-N 3.26Å; E224-I227 PolarHBondContact O-N 3.31Å; I227-L230 PolarHBondContact O-N 3.01Å; I227-K231 WeakPolarHBondContact O-CG 3.47Å; I227-K231 PolarHBondContact O-N 2.88Å
228E90.5Very high82.4Confident107 Ų107103.4 Ų103.450%0.552%0.521SS..Hα-helixtrans-69.1-38.3179.9-158.658.1-145.900112.5E224 F225 I226 L230 K231 S232E224-E228 PolarHBondContact O-N 3.32Å; F225-E228 PolarHBondContact O-N 3.41Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 2.93Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.09Å; E228-K231 PolarHBondContact O-N 3.49Å; E228-K231 WeakPolarHBondContact OE2-CD 3.38Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 2.88Å; E228-K231 PolarHBondContact OE2-NZ 2.95Å; E228-S232 PolarHBondContact O-N 3.32Å
229K91.6Very high84.5Confident129 Ų129102.8 Ų102.856%0.56152%0.521SS*.Hα-helixtrans-58.7-43.8169.4-84.1-177168.5177.70112.3F225 I226 S232 A233F225-K229 HydrophobicContact CD1-CD 4.45Å; F225-K229 HydrophobicContact CE1-CD 4.01Å; F225-K229 VanDerWaalsContact CE1-CE 3.5Å; F225-K229 HydrophobicContact CZ-CD 4.19Å; F225-K229 PolarHBondContact O-N 3.43Å; I226-K229 PolarHBondContact O-N 3.32Å; K229-S232 PolarHBondContact O-N 2.97Å; K229-A233 PolarHBondContact O-N 2.87Å
230L93.3Very high86.3Confident108 Ų108102 Ų10257%0.56552%0.522SS*.Hα-helixtrans-64.4-40.3177.7-72.3170.5000111.8I226 I227 E228 A233 V234I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.48Å; I226-L230 WeakPolarHBondContact O-CG 3.36Å; I226-L230 PolarHBondContact O-N 3.22Å; I227-L230 PolarHBondContact O-N 3.01Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.09Å; L230-A233 PolarHBondContact O-N 3.03Å; L230-V234 WeakPolarHBondContact O-CB 3.4Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 3.02Å
231K91.1Very high88Confident102 Ų102104.3 Ų104.344%0.44352%0.521SS..Hα-helixtrans-60.6-44.7172.5-68.9176.7-156.2152.50112I227 E228 V234 N235I227-K231 WeakPolarHBondContact O-CG 3.47Å; I227-K231 PolarHBondContact O-N 2.88Å; E228-K231 PolarHBondContact O-N 3.49Å; E228-K231 WeakPolarHBondContact OE2-CD 3.38Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 2.88Å; E228-K231 PolarHBondContact OE2-NZ 2.95Å; K231-V234 PolarHBondContact O-N 3.28Å; K231-N235 WeakPolarHBondContact O-CB 3.09Å; K231-N235 PolarHBondContact O-N 3.12Å; K231-N235 PolarHBondContact O-ND2 2.86Å
232S90.8Very high89.5Confident59 Ų59101.4 Ų101.441%0.41351%0.51SS..Hα-helixtrans-61.1-47.4177.6-1620000111.4E228 K229 V234 N235 E236E228-S232 PolarHBondContact O-N 3.32Å; K229-S232 PolarHBondContact O-N 2.97Å; S232-V234 PolarHBondContact O-N 3.13Å; S232-N235 PolarHBondContact O-N 3.35Å; S232-E236 PolarHBondContact O-N 2.94Å
233A93.6Very high90.6Very high43 Ų43101.7 Ų101.736%0.35552%0.515SS..Hα-helixtrans-61.1-42.1177.100000112.5K229 L230 N235 E236 I237K229-A233 PolarHBondContact O-N 2.87Å; L230-A233 PolarHBondContact O-N 3.03Å; A233-N235 PolarHBondContact O-N 3.43Å; A233-E236 PolarHBondContact O-N 3.33Å; A233-I237 WeakPolarHBondContact O-CB 3.47Å; A233-I237 WeakPolarHBondContact O-CD1 3.37Å; A233-I237 VanDerWaalsContact O-CG1 3.22Å; A233-I237 WeakPolarHBondContact O-CG1 3.3Å; A233-I237 PolarHBondContact O-N 2.67Å
234V94.5Very high91.5Very high91 Ų91102.6 Ų102.655%0.55252%0.519SS*.Hα-helixtrans-63.1-40.4175.4168.50000111.6L230 K231 S232 I237 A238L230-V234 WeakPolarHBondContact O-CB 3.4Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 3.02Å; K231-V234 PolarHBondContact O-N 3.28Å; S232-V234 PolarHBondContact O-N 3.13Å; V234-I237 PolarHBondContact O-N 2.72Å; V234-A238 WeakPolarHBondContact O-CB 3.3Å; V234-A238 PolarHBondContact O-N 2.91Å
235N91.7Very high92.1Very high103 Ų103100.3 Ų100.355%0.55151%0.509SS*.Hα-helixtrans-65.6-42175.7-75.5-27.5000112.1K231 S232 A233 A238 L239K231-N235 WeakPolarHBondContact O-CB 3.09Å; K231-N235 PolarHBondContact O-N 3.12Å; K231-N235 PolarHBondContact O-ND2 2.86Å; S232-N235 PolarHBondContact O-N 3.35Å; A233-N235 PolarHBondContact O-N 3.43Å; N235-A238 PolarHBondContact O-N 2.98Å; N235-L239 WeakPolarHBondContact O-CG 3.48Å; N235-L239 PolarHBondContact O-N 3.47Å
236E93.9Very high92.6Very high130 Ų13098.4 Ų98.461%0.60750%0.504SS*.Hα-helixtrans-63.9-42.3175-74.6176.7-167.700112.1S232 A233 A238 L239 S240S232-E236 PolarHBondContact O-N 2.94Å; A233-E236 PolarHBondContact O-N 3.33Å; E236-A238 VanDerWaalsContact C-N 3.34Å; E236-A238 PolarHBondContact O-N 3.25Å; E236-L239 PolarHBondContact O-N 3.42Å; E236-S240 WeakPolarHBondContact O-CB 3.42Å; E236-S240 PolarHBondContact O-N 2.97Å
237I93.1Very high92.9Very high117 Ų11799.2 Ų99.260%0.651%0.506SS*.Hα-helixtrans-61.4-41.9173.9-69.7164.6000110.8A233 V234 S240 R241A233-I237 WeakPolarHBondContact O-CB 3.47Å; A233-I237 WeakPolarHBondContact O-CD1 3.37Å; A233-I237 VanDerWaalsContact O-CG1 3.22Å; A233-I237 WeakPolarHBondContact O-CG1 3.3Å; A233-I237 PolarHBondContact O-N 2.67Å; V234-I237 PolarHBondContact O-N 2.72Å; I237-S240 PolarHBondContact O-N 2.8Å; I237-R241 VanDerWaalsContact O-CB 3.31Å; I237-R241 WeakPolarHBondContact O-CB 3.26Å; I237-R241 PolarHBondContact O-N 3.42Å
238A93.3Very high93.2Very high44 Ų44100.2 Ų100.236%0.36451%0.513SS..Hα-helixtrans-64.2-42.9176.800000112.2V234 N235 E236 R241 N242V234-A238 WeakPolarHBondContact O-CB 3.3Å; V234-A238 PolarHBondContact O-N 2.91Å; N235-A238 PolarHBondContact O-N 2.98Å; E236-A238 VanDerWaalsContact C-N 3.34Å; E236-A238 PolarHBondContact O-N 3.25Å; A238-R241 PolarHBondContact O-N 3.37Å; A238-N242 VanDerWaalsContact O-CG 3.26Å; A238-N242 PolarHBondContact O-N 2.96Å; A238-N242 PolarHBondContact O-ND2 3.1Å
239L94.3Very high93.5Very high110 Ų110100 Ų10058%0.57651%0.511SS*.Hα-helixtrans-65.2-41.2175.2-70.7171.7000112.1N235 E236 N242 K243N235-L239 WeakPolarHBondContact O-CG 3.48Å; N235-L239 PolarHBondContact O-N 3.47Å; E236-L239 PolarHBondContact O-N 3.42Å; L239-N242 PolarHBondContact O-N 3.34Å; L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 2.86Å; L239-K243 VanDerWaalsContact O-N 3.09Å
240S93.1Very high93.7Very high62 Ų62100.6 Ų100.643%0.43451%0.514SS..Hα-helixtrans-62.5-46.9175.4-175.70000111.6E236 I237 N242 K243 L244E236-S240 WeakPolarHBondContact O-CB 3.42Å; E236-S240 PolarHBondContact O-N 2.97Å; I237-S240 PolarHBondContact O-N 2.8Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 3.03Å; S240-K243 PolarHBondContact O-N 2.82Å; S240-L244 WeakPolarHBondContact O-CG 3.43Å; S240-L244 PolarHBondContact O-N 2.9Å
241R93.5Very high93.8Very high178 Ų178100.6 Ų100.667%0.67251%0.514SS*.Hα-helixtrans-57.4-43.1175.5178.6177.4175.8156.61.4112.4I237 A238 L244 Q245I237-R241 VanDerWaalsContact O-CB 3.31Å; I237-R241 WeakPolarHBondContact O-CB 3.26Å; I237-R241 PolarHBondContact O-N 3.42Å; A238-R241 PolarHBondContact O-N 3.37Å; R241-L244 PolarHBondContact O-N 2.72Å; R241-Q245 WeakPolarHBondContact O-CB 3.4Å; R241-Q245 PolarHBondContact O-N 3.01Å
242N94.6Very high94Very high87 Ų87101.4 Ų101.447%0.46552%0.523SS..Hα-helixtrans-66-43178.4-69.9-17.1000111.7A238 L239 S240 L244 Q245 D246A238-N242 VanDerWaalsContact O-CG 3.26Å; A238-N242 PolarHBondContact O-N 2.96Å; A238-N242 PolarHBondContact O-ND2 3.1Å; L239-N242 PolarHBondContact O-N 3.34Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 3.03Å; N242-L244 PolarHBondContact O-N 3.35Å; N242-Q245 WeakPolarHBondContact O-CB 3.29Å; N242-Q245 PolarHBondContact O-N 3.41Å; N242-D246 PolarHBondContact O-N 2.87Å
243K96Very high94.3Very high138 Ų138104.9 Ų104.960%0.653%0.533SS*.Hα-helixtrans-59.9-46.5174.4-71174.6-177.8178.70112.2L239 S240 Q245 D246 E247L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 2.86Å; L239-K243 VanDerWaalsContact O-N 3.09Å; S240-K243 PolarHBondContact O-N 2.82Å; K243-Q245 VanDerWaalsContact C-N 3.26Å; K243-Q245 PolarHBondContact O-N 2.93Å; K243-D246 PolarHBondContact O-N 2.9Å; K243-E247 WeakPolarHBondContact O-CG 3.44Å; K243-E247 PolarHBondContact O-N 3.42Å
244L93.3Very high94.4Very high98 Ų98107.1 Ų107.151%0.51354%0.536SS..Hα-helixtrans-62.1-33.6176.2-73.8171.3000112.5S240 R241 N242 N248S240-L244 WeakPolarHBondContact O-CG 3.43Å; S240-L244 PolarHBondContact O-N 2.9Å; R241-L244 PolarHBondContact O-N 2.72Å; N242-L244 PolarHBondContact O-N 3.35Å; L244-N248 WeakPolarHBondContact O-CB 3.3Å; L244-N248 PolarHBondContact O-N 2.9Å
245Q94.6Very high94.5Very high97 Ų97107.9 Ų107.945%0.45354%0.536SS..Hα-helixtrans-68.1-43.9174.3-177.1175.7-49.700111.7R241 N242 K243 N248 Q249R241-Q245 WeakPolarHBondContact O-CB 3.4Å; R241-Q245 PolarHBondContact O-N 3.01Å; N242-Q245 WeakPolarHBondContact O-CB 3.29Å; N242-Q245 PolarHBondContact O-N 3.41Å; K243-Q245 VanDerWaalsContact C-N 3.26Å; K243-Q245 PolarHBondContact O-N 2.93Å; Q245-N248 WeakPolarHBondContact O-CB 3.49Å; Q245-N248 PolarHBondContact O-N 3.41Å; Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.34Å
246D94.8Very high94.8Very high86 Ų86108.6 Ų108.646%0.4653%0.534SS..Hα-helixtrans-65.2-39.3176.6-70.1-15.5000112.1N242 K243 Q249 K250N242-D246 PolarHBondContact O-N 2.87Å; K243-D246 PolarHBondContact O-N 2.9Å; D246-Q249 PolarHBondContact O-N 3.01Å; D246-K250 WeakPolarHBondContact O-CG 3.44Å; D246-K250 PolarHBondContact O-N 3.38Å
247E94.2Very high94.9Very high104 Ų104108.1 Ų108.149%0.48653%0.534SS..Hα-helixtrans-64.8-43.1173.4-74.3173.4-166.300111.6K243 Q249 K250 L251K243-E247 WeakPolarHBondContact O-CG 3.44Å; K243-E247 PolarHBondContact O-N 3.42Å; E247-Q249 VanDerWaalsContact C-N 3.32Å; E247-Q249 PolarHBondContact O-N 3.45Å; E247-K250 PolarHBondContact O-N 3.14Å; E247-L251 WeakPolarHBondContact O-CG 3.18Å; E247-L251 PolarHBondContact O-N 3.48Å
248N91.8Very high94.9Very high112 Ų112108.6 Ų108.660%0.59953%0.529SS*.Hα-helixtrans-58.5-42.4172.5-115.9-63.6000112.1L244 Q245 L251 L252L244-N248 WeakPolarHBondContact O-CB 3.3Å; L244-N248 PolarHBondContact O-N 2.9Å; Q245-N248 WeakPolarHBondContact O-CB 3.49Å; Q245-N248 PolarHBondContact O-N 3.41Å; N248-L251 PolarHBondContact O-N 3.46Å; N248-L252 VanDerWaalsContact O-CB 3.3Å; N248-L252 WeakPolarHBondContact O-CB 3.35Å; N248-L252 PolarHBondContact O-N 2.8Å
249Q96.1Very high95Very high101 Ų101111.6 Ų111.647%0.47254%0.535SS..Hα-helixtrans-64.4-39.4177-72.5-175.818.700112.3Q245 D246 E247 L252 Q253Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.34Å; D246-Q249 PolarHBondContact O-N 3.01Å; E247-Q249 VanDerWaalsContact C-N 3.32Å; E247-Q249 PolarHBondContact O-N 3.45Å; Q249-L252 PolarHBondContact O-N 3.19Å; Q249-Q253 WeakPolarHBondContact O-CG 3.29Å; Q249-Q253 PolarHBondContact O-N 3.47Å
250K96.1Very high95.1Very high142 Ų142112.2 Ų112.262%0.61753%0.53SS*.Hα-helixtrans-64.3-48.4174.5-72.2170.3-175.5169.40111.7D246 E247 L252 Q253 E254D246-K250 WeakPolarHBondContact O-CG 3.44Å; D246-K250 PolarHBondContact O-N 3.38Å; E247-K250 PolarHBondContact O-N 3.14Å; K250-L252 VanDerWaalsContact C-N 3.3Å; K250-L252 PolarHBondContact O-N 2.98Å; K250-Q253 WeakPolarHBondContact O-CB 3.45Å; K250-Q253 PolarHBondContact O-N 2.99Å; K250-Q253 VanDerWaalsContact O-N 3.12Å; K250-E254 PolarHBondContact O-N 3.38Å
251L95.6Very high95.3Very high108 Ų108115.3 Ų115.357%0.56554%0.537SS*.Hα-helixtrans-60.7-39177.4-70.3172.1000111.8E247 N248 E254 L255E247-L251 WeakPolarHBondContact O-CG 3.18Å; E247-L251 PolarHBondContact O-N 3.48Å; N248-L251 PolarHBondContact O-N 3.46Å; L251-E254 PolarHBondContact O-N 3.02Å; L251-L255 VanDerWaalsContact O-CB 3.3Å; L251-L255 WeakPolarHBondContact O-CB 3.41Å; L251-L255 PolarHBondContact O-N 2.98Å
252L96.3Very high95.2Very high119 Ų119109.6 Ų109.662%0.62352%0.524SS*.Hα-helixtrans-65.1-38175.2-172.268.1000112.3N248 Q249 K250 K256N248-L252 VanDerWaalsContact O-CB 3.3Å; N248-L252 WeakPolarHBondContact O-CB 3.35Å; N248-L252 PolarHBondContact O-N 2.8Å; Q249-L252 PolarHBondContact O-N 3.19Å; K250-L252 VanDerWaalsContact C-N 3.3Å; K250-L252 PolarHBondContact O-N 2.98Å; L252-K256 WeakPolarHBondContact O-CB 3.37Å; L252-K256 PolarHBondContact O-N 3.22Å; L252-K256 VanDerWaalsContact O-N 3.12Å
253Q96.9Very high95.3Very high133 Ų133110.4 Ų110.462%0.62153%0.525SS*.Hα-helixtrans-67.1-42.9173.4-72.8178.21500111.7Q249 K250 K256 M257Q249-Q253 WeakPolarHBondContact O-CG 3.29Å; Q249-Q253 PolarHBondContact O-N 3.47Å; K250-Q253 WeakPolarHBondContact O-CB 3.45Å; K250-Q253 PolarHBondContact O-N 2.99Å; K250-Q253 VanDerWaalsContact O-N 3.12Å; Q253-K256 CarbonylContact O-C 3.54Å; Q253-K256 PolarHBondContact O-N 3.45Å; Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 3.35Å
254E95.7Very high95.2Very high89 Ų89107 Ų10742%0.41652%0.523SS..Hα-helixtrans-65.6-44.6179.3-158.1-173.3161.300111.6K250 L251 K256 M257 Y258K250-E254 PolarHBondContact O-N 3.38Å; L251-E254 PolarHBondContact O-N 3.02Å; E254-K256 VanDerWaalsContact C-N 3.29Å; E254-K256 PolarHBondContact O-N 3.12Å; E254-M257 WeakPolarHBondContact O-CA 3.5Å; E254-M257 WeakPolarHBondContact O-CB 3.38Å; E254-M257 PolarHBondContact O-N 3.2Å; E254-Y258 HydrophobicContact CG-CD2 4.16Å; E254-Y258 HydrophobicContact CG-CE2 3.52Å; E254-Y258 WeakPolarHBondContact O-CD2 3.47Å; E254-Y258 PolarHBondContact O-N 3.34Å; E254-Y258 WeakPolarHBondContact OE1-CE2 3.41Å; E254-Y258 VanDerWaalsContact OE1-CZ 3.31Å; E254-Y258 PolarHBondContact OE1-OH 2.96Å
255L95.4Very high95.2Very high108 Ų108108.1 Ų108.157%0.56553%0.527SS*.Hα-helixtrans-57.8-42172.8-174.2150.4000111.4L251 M257 Y258 Q259L251-L255 VanDerWaalsContact O-CB 3.3Å; L251-L255 WeakPolarHBondContact O-CB 3.41Å; L251-L255 PolarHBondContact O-N 2.98Å; L255-M257 VanDerWaalsContact C-N 3.28Å; L255-M257 PolarHBondContact O-N 3.49Å; L255-Y258 PolarHBondContact O-N 3.38Å; L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.88Å
256K97.4Very high95.2Very high117 Ų117108.9 Ų108.951%0.50953%0.53SS..Hα-helixtrans-68.7-24.3175-160.4-179.8-177171.60112.8L252 Q253 E254 R260L252-K256 WeakPolarHBondContact O-CB 3.37Å; L252-K256 PolarHBondContact O-N 3.22Å; L252-K256 VanDerWaalsContact O-N 3.12Å; Q253-K256 CarbonylContact O-C 3.54Å; Q253-K256 PolarHBondContact O-N 3.45Å; E254-K256 VanDerWaalsContact C-N 3.29Å; E254-K256 PolarHBondContact O-N 3.12Å; K256-R260 WeakPolarHBondContact O-CG 3.29Å; K256-R260 PolarHBondContact O-N 2.89Å; K256-R260 PolarHBondContact O-NH1 3.44Å
257M96.7Very high95.1Very high121 Ų121107.5 Ų107.560%0.59653%0.531SS*.Hα-helixtrans-73.6-50.9171.9-73.9-65.4-68.700110.9Q253 E254 L255 Q259 R260 Q261Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 3.35Å; E254-M257 WeakPolarHBondContact O-CA 3.5Å; E254-M257 WeakPolarHBondContact O-CB 3.38Å; E254-M257 PolarHBondContact O-N 3.2Å; L255-M257 VanDerWaalsContact C-N 3.28Å; L255-M257 PolarHBondContact O-N 3.49Å; M257-Q259 VanDerWaalsContact C-N 3.31Å; M257-Q259 PolarHBondContact O-N 3.34Å; M257-R260 PolarHBondContact O-N 2.65Å; M257-Q261 PolarHBondContact O-N 2.91Å
258Y93.5Very high95.3Very high127 Ų127104 Ų10450%0.49852%0.523SS..Hα-helixtrans-59.9-39.7176.2-66.7-54.6000112.3E254 L255 R260 Q261 C262E254-Y258 HydrophobicContact CG-CD2 4.16Å; E254-Y258 HydrophobicContact CG-CE2 3.52Å; E254-Y258 WeakPolarHBondContact O-CD2 3.47Å; E254-Y258 PolarHBondContact O-N 3.34Å; E254-Y258 WeakPolarHBondContact OE1-CE2 3.41Å; E254-Y258 VanDerWaalsContact OE1-CZ 3.31Å; E254-Y258 PolarHBondContact OE1-OH 2.96Å; L255-Y258 PolarHBondContact O-N 3.38Å; Y258-R260 VanDerWaalsContact C-N 3.32Å; Y258-R260 PolarHBondContact O-N 3.4Å; Y258-Q261 WeakPolarHBondContact O-CB 3.48Å; Y258-Q261 PolarHBondContact O-N 2.67Å; Y258-Q261 VanDerWaalsContact O-N 3.07Å; Y258-C262 PolarHBondContact O-N 3.28Å; Y258-C262 PolarHBondContact O-SG 3.04Å
259Q95.8Very high95.4Very high106 Ų106104.1 Ų104.150%0.49552%0.523SS..Hα-helixtrans-57.8-42.9176.1-172.1179.817.800112.4L255 M257 C262 Q263L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.88Å; M257-Q259 VanDerWaalsContact C-N 3.31Å; M257-Q259 PolarHBondContact O-N 3.34Å; Q259-C262 PolarHBondContact O-N 3.16Å; Q259-Q263 WeakPolarHBondContact O-CG 3.39Å; Q259-Q263 PolarHBondContact O-N 3.26Å; Q259-Q263 VanDerWaalsContact O-N 3.12Å
260R96.9Very high95.4Very high123 Ų123103.1 Ų103.146%0.46453%0.527SS..Hα-helixtrans-68.4-35.3175.3-68.5-178.3-163.8104.4-23.8112.2K256 M257 Y258 Q263 A264K256-R260 WeakPolarHBondContact O-CG 3.29Å; K256-R260 PolarHBondContact O-N 2.89Å; K256-R260 PolarHBondContact O-NH1 3.44Å; M257-R260 PolarHBondContact O-N 2.65Å; Y258-R260 VanDerWaalsContact C-N 3.32Å; Y258-R260 PolarHBondContact O-N 3.4Å; R260-Q263 PolarHBondContact O-N 2.9Å; R260-A264 WeakPolarHBondContact O-CB 3.5Å; R260-A264 PolarHBondContact O-N 2.96Å
261Q96.8Very high95.4Very high127 Ų127102.9 Ų102.959%0.59353%0.528SS*.Hα-helixtrans-65.6-41.5176.8-171.6177.61.400111.5M257 Y258 A264 M265M257-Q261 PolarHBondContact O-N 2.91Å; Y258-Q261 WeakPolarHBondContact O-CB 3.48Å; Y258-Q261 PolarHBondContact O-N 2.67Å; Y258-Q261 VanDerWaalsContact O-N 3.07Å; Q261-A264 PolarHBondContact O-N 3.5Å; Q261-M265 WeakPolarHBondContact O-CB 3.39Å; Q261-M265 PolarHBondContact O-N 3.44Å
262C91.3Very high95.4Very high58 Ų58102 Ų10239%0.39253%0.527SS..Hα-helixtrans-60.4-48.4172.1-66.60000111.4Y258 Q259 A264 M265 E266Y258-C262 PolarHBondContact O-N 3.28Å; Y258-C262 PolarHBondContact O-SG 3.04Å; Q259-C262 PolarHBondContact O-N 3.16Å; C262-A264 VanDerWaalsContact C-N 3.33Å; C262-A264 PolarHBondContact O-N 2.93Å; C262-M265 PolarHBondContact O-N 3.43Å; C262-M265 VanDerWaalsContact O-N 3.12Å; C262-E266 WeakPolarHBondContact O-CB 3.38Å; C262-E266 WeakPolarHBondContact O-CG 3.39Å; C262-E266 PolarHBondContact O-N 2.92Å
263Q95.8Very high95.5Very high104 Ų104104 Ų10449%0.48653%0.531SS..Hα-helixtrans-58.7-40.9177.1-72.2171-17.900112.9Q259 R260 E266 A267Q259-Q263 WeakPolarHBondContact O-CG 3.39Å; Q259-Q263 PolarHBondContact O-N 3.26Å; Q259-Q263 VanDerWaalsContact O-N 3.12Å; R260-Q263 PolarHBondContact O-N 2.9Å; Q263-E266 PolarHBondContact O-N 3.28Å; Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 2.88Å
264A95.4Very high95.4Very high68 Ų68101.1 Ų101.156%0.56253%0.525SS*.Hα-helixtrans-66.3-38.6176.100000112.3R260 Q261 C262 A267 G268R260-A264 WeakPolarHBondContact O-CB 3.5Å; R260-A264 PolarHBondContact O-N 2.96Å; Q261-A264 PolarHBondContact O-N 3.5Å; C262-A264 VanDerWaalsContact C-N 3.33Å; C262-A264 PolarHBondContact O-N 2.93Å; A264-A267 PolarHBondContact O-N 3.47Å; A264-G268 PolarHBondContact O-N 2.88Å
265M92.6Very high95.4Very high120 Ų120101 Ų10159%0.59153%0.525SS*.Hα-helixtrans-69.4-40176.1-175.6170.759.100112.1Q261 C262 A267 G268 L269Q261-M265 WeakPolarHBondContact O-CB 3.39Å; Q261-M265 PolarHBondContact O-N 3.44Å; C262-M265 PolarHBondContact O-N 3.43Å; C262-M265 VanDerWaalsContact O-N 3.12Å; M265-A267 VanDerWaalsContact C-N 3.35Å; M265-G268 PolarHBondContact O-N 2.74Å; M265-L269 HydrophobicContact CG-CD1 4.3Å; M265-L269 WeakPolarHBondContact O-CB 3.39Å; M265-L269 VanDerWaalsContact O-CG 3.31Å; M265-L269 WeakPolarHBondContact O-CG 3.18Å; M265-L269 PolarHBondContact O-N 2.9Å
266E93.9Very high95.5Very high113 Ų113100.7 Ų100.753%0.52852%0.523SS..Hα-helixtrans-62.4-40.1173.5-73.6167-175.700111.9C262 Q263 S270C262-E266 WeakPolarHBondContact O-CB 3.38Å; C262-E266 WeakPolarHBondContact O-CG 3.39Å; C262-E266 PolarHBondContact O-N 2.92Å; Q263-E266 PolarHBondContact O-N 3.28Å; E266-S270 WeakPolarHBondContact O-CB 3.35Å; E266-S270 PolarHBondContact O-N 3.42Å; E266-S270 PolarHBondContact O-OG 2.93Å
267A94.1Very high95.5Very high58 Ų5899.9 Ų99.948%0.47952%0.521SS..Hα-helixtrans-63.3-49.1173.700000111.7Q263 A264 M265 L269 S270 E271Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 2.88Å; A264-A267 PolarHBondContact O-N 3.47Å; M265-A267 VanDerWaalsContact C-N 3.35Å; A267-L269 PolarHBondContact O-N 2.9Å; A267-S270 WeakPolarHBondContact O-CA 3.47Å; A267-S270 WeakPolarHBondContact O-CB 3.46Å; A267-S270 PolarHBondContact O-N 3.29Å; A267-E271 PolarHBondContact O-N 2.93Å
268G96.8Very high95.5Very high29 Ų2997.3 Ų97.330%0.29952%0.515SS..Hα-helixtrans-62.9-37.5177.300000113.6A264 M265 S270 E271 V272A264-G268 PolarHBondContact O-N 2.88Å; M265-G268 PolarHBondContact O-N 2.74Å; G268-S270 VanDerWaalsContact C-N 3.31Å; G268-S270 PolarHBondContact O-N 3.36Å; G268-E271 PolarHBondContact O-N 3.34Å; G268-V272 WeakPolarHBondContact O-CG2 3.36Å; G268-V272 PolarHBondContact O-N 3.1Å
269L93.9Very high95.6Very high116 Ų11698.2 Ų98.261%0.60752%0.518SS*.Hα-helixtrans-64.1-35.9171.8-75.9170.3000112.3M265 A267 K273M265-L269 HydrophobicContact CG-CD1 4.3Å; M265-L269 WeakPolarHBondContact O-CB 3.39Å; M265-L269 VanDerWaalsContact O-CG 3.31Å; M265-L269 WeakPolarHBondContact O-CG 3.18Å; M265-L269 PolarHBondContact O-N 2.9Å; A267-L269 PolarHBondContact O-N 2.9Å; L269-K273 VanDerWaalsContact O-CB 3.27Å; L269-K273 WeakPolarHBondContact O-CB 3.39Å; L269-K273 PolarHBondContact O-N 3.47Å
270S96Very high95.7Very high79 Ų7996.2 Ų96.255%0.55251%0.51SS*.Hα-helixtrans-69.9-39.4176.9-58.30000111.8E266 A267 G268 K273 S274E266-S270 WeakPolarHBondContact O-CB 3.35Å; E266-S270 PolarHBondContact O-N 3.42Å; E266-S270 PolarHBondContact O-OG 2.93Å; A267-S270 WeakPolarHBondContact O-CA 3.47Å; A267-S270 WeakPolarHBondContact O-CB 3.46Å; A267-S270 PolarHBondContact O-N 3.29Å; G268-S270 VanDerWaalsContact C-N 3.31Å; G268-S270 PolarHBondContact O-N 3.36Å; S270-K273 PolarHBondContact O-N 2.84Å; S270-S274 PolarHBondContact O-N 3.11Å
271E96.1Very high95.7Very high138 Ų13893.8 Ų93.865%0.64551%0.506SS*.Hα-helixtrans-62-54.4174.1-175.8174.5-166.100111.4A267 G268 K273 S274 E275A267-E271 PolarHBondContact O-N 2.93Å; G268-E271 PolarHBondContact O-N 3.34Å; E271-K273 VanDerWaalsContact C-N 3.25Å; E271-K273 PolarHBondContact O-N 2.87Å; E271-S274 WeakPolarHBondContact O-CA 3.27Å; E271-S274 WeakPolarHBondContact O-CB 3.49Å; E271-S274 PolarHBondContact O-N 3.44Å; E271-S274 PolarHBondContact O-OG 3.46Å; E271-E275 PolarHBondContact O-N 2.82Å
272V96.8Very high95.7Very high90 Ų9092.5 Ų92.555%0.54550%0.503SS..Hα-helixtrans-58.5-37177.71720000111.8G268 E275 L276G268-V272 WeakPolarHBondContact O-CG2 3.36Å; G268-V272 PolarHBondContact O-N 3.1Å; V272-E275 PolarHBondContact O-N 3.27Å; V272-L276 WeakPolarHBondContact O-CB 3.44Å; V272-L276 PolarHBondContact O-N 3.47Å
273K97.7Very high96Very high160 Ų16095 Ų9570%0.69651%0.512SS*.Hα-helixtrans-64.8-38.6174.4-174.6-177.1178.1-172.60112.2L269 S270 E271 Q277L269-K273 VanDerWaalsContact O-CB 3.27Å; L269-K273 WeakPolarHBondContact O-CB 3.39Å; L269-K273 PolarHBondContact O-N 3.47Å; S270-K273 PolarHBondContact O-N 2.84Å; E271-K273 VanDerWaalsContact C-N 3.25Å; E271-K273 PolarHBondContact O-N 2.87Å; K273-Q277 WeakPolarHBondContact O-CB 3.31Å; K273-Q277 PolarHBondContact O-N 3.1Å; K273-Q277 VanDerWaalsContact O-N 3.11Å
274S94.4Very high96.1Very high73 Ų7395.6 Ų95.651%0.5151%0.51SS..Hα-helixtrans-69.6-36.4176.475.80000112.4S270 E271 Q277 S278S270-S274 PolarHBondContact O-N 3.11Å; E271-S274 WeakPolarHBondContact O-CA 3.27Å; E271-S274 WeakPolarHBondContact O-CB 3.49Å; E271-S274 PolarHBondContact O-N 3.44Å; E271-S274 PolarHBondContact O-OG 3.46Å; S274-Q277 PolarHBondContact O-N 3.2Å; S274-S278 PolarHBondContact O-N 2.84Å
275E97.2Very high96.2Very high86 Ų8696.7 Ų96.740%0.40251%0.505SS..Hα-helixtrans-68.1-42.1174.6-161.8-161156.900111.8E271 V272 Q277 S278 R279E271-E275 PolarHBondContact O-N 2.82Å; V272-E275 PolarHBondContact O-N 3.27Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.9Å; E275-S278 PolarHBondContact O-N 3.44Å; E275-S278 PolarHBondContact O-OG 3.41Å; E275-R279 WeakPolarHBondContact O-CG 3.32Å; E275-R279 PolarHBondContact O-N 3.38Å; E275-R279 IonicContact OE1-CZ 2.68Å; E275-R279 IonicContact OE1-NE 3.87Å; E275-R279 PolarHBondContact OE1-NE 3.49Å; E275-R279 IonicContact OE1-NH2 3.24Å; E275-R279 PolarHBondContact OE1-NH2 3.46Å
276L97.4Very high96.4Very high102 Ų10295.1 Ų95.153%0.53450%0.498SS..Hα-helixtrans-60.4-44.6175.4-178.461.8000111.3V272 S278 R279 D280V272-L276 WeakPolarHBondContact O-CB 3.44Å; V272-L276 PolarHBondContact O-N 3.47Å; L276-S278 VanDerWaalsContact C-N 3.35Å; L276-S278 PolarHBondContact O-N 3.06Å; L276-R279 PolarHBondContact O-N 3.45Å; L276-D280 PolarHBondContact O-N 2.97Å
277Q96.8Very high96.6Very high99 Ų9993.1 Ų93.146%0.46349%0.489SS..Hα-helixtrans-59.7-43.2175.9178.663.151.200111.9K273 S274 E275 D280 D281K273-Q277 WeakPolarHBondContact O-CB 3.31Å; K273-Q277 PolarHBondContact O-N 3.1Å; K273-Q277 VanDerWaalsContact O-N 3.11Å; S274-Q277 PolarHBondContact O-N 3.2Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.9Å; Q277-D280 PolarHBondContact O-N 3.31Å; Q277-D281 PolarHBondContact NE2-OD2 3.03Å; Q277-D281 PolarHBondContact O-N 3.07Å; Q277-D281 VanDerWaalsContact O-OD2 3.08Å
278S96.1Very high96.7Very high67 Ų6797 Ų9747%0.46950%0.499SS..Hα-helixtrans-68.5-33.717973.40000112.9S274 E275 L276 D281 L282S274-S278 PolarHBondContact O-N 2.84Å; E275-S278 PolarHBondContact O-N 3.44Å; E275-S278 PolarHBondContact O-OG 3.41Å; L276-S278 VanDerWaalsContact C-N 3.35Å; L276-S278 PolarHBondContact O-N 3.06Å; S278-D281 PolarHBondContact O-N 2.81Å; S278-L282 PolarHBondContact O-N 3.25Å
279R96.1Very high96.6Very high147 Ų147101 Ų10156%0.55551%0.509SS*.Hα-helixtrans-65-41.8171-70.2168.7175.6-126.14.1111.7E275 L276 D281 L282 L283E275-R279 WeakPolarHBondContact O-CG 3.32Å; E275-R279 PolarHBondContact O-N 3.38Å; E275-R279 IonicContact OE1-CZ 2.68Å; E275-R279 IonicContact OE1-NE 3.87Å; E275-R279 PolarHBondContact OE1-NE 3.49Å; E275-R279 IonicContact OE1-NH2 3.24Å; E275-R279 PolarHBondContact OE1-NH2 3.46Å; L276-R279 PolarHBondContact O-N 3.45Å; R279-D281 VanDerWaalsContact C-N 3.34Å; R279-L282 PolarHBondContact O-N 3.5Å; R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 2.91Å
280D97.3Very high96.6Very high64 Ų64102.5 Ų102.534%0.34251%0.507SS..Hα-helixtrans-65.5-36175.1-76-16.1000112.3L276 Q277 R284L276-D280 PolarHBondContact O-N 2.97Å; Q277-D280 PolarHBondContact O-N 3.31Å; D280-R284 WeakPolarHBondContact O-CG 3.42Å; D280-R284 PolarHBondContact O-N 2.98Å; D280-R284 VanDerWaalsContact O-N 3.08Å; D280-R284 PolarHBondContact O-NH1 3.48Å
281D97.2Very high96.7Very high71 Ų71103.2 Ų103.238%0.3850%0.504SS..Hα-helixtrans-65.3-43.5172.3-79.8-52.4000111.9Q277 S278 R279 R284 I285Q277-D281 PolarHBondContact NE2-OD2 3.03Å; Q277-D281 PolarHBondContact O-N 3.07Å; Q277-D281 VanDerWaalsContact O-OD2 3.08Å; S278-D281 PolarHBondContact O-N 2.81Å; R279-D281 VanDerWaalsContact C-N 3.34Å; D281-R284 WeakPolarHBondContact O-CB 3.4Å; D281-R284 PolarHBondContact O-N 3.28Å; D281-R284 IonicContact OD1-CZ 2.67Å; D281-R284 IonicContact OD1-NE 2.66Å; D281-R284 PolarHBondContact OD1-NE 3.08Å; D281-R284 IonicContact OD1-NH2 3.12Å; D281-R284 PolarHBondContact OD1-NH2 3.24Å; D281-R284 IonicContact OD2-NH2 2.59Å; D281-R284 PolarHBondContact OD2-NH2 3.16Å; D281-I285 WeakPolarHBondContact O-CG1 3.23Å; D281-I285 PolarHBondContact O-N 3.25Å; D281-I285 VanDerWaalsContact O-N 3.15Å
282L98.1Very high96.7Very high100 Ų100102.2 Ų102.252%0.52450%0.5SS..Hα-helixtrans-62.9-42.3174.7-179.160.9000112.2S278 R279 R284 I285 I286S278-L282 PolarHBondContact O-N 3.25Å; R279-L282 PolarHBondContact O-N 3.5Å; L282-R284 VanDerWaalsContact C-N 3.31Å; L282-R284 PolarHBondContact O-N 3.15Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-I285 VanDerWaalsContact O-N 3.16Å; L282-I286 HydrophobicContact CD1-CD1 4.25Å; L282-I286 HydrophobicContact CD1-CG1 4.46Å; L282-I286 HydrophobicContact CG-CD1 4Å; L282-I286 WeakPolarHBondContact O-CG1 3.3Å; L282-I286 PolarHBondContact O-N 3.49Å
283L97.4Very high96.6Very high110 Ų110102.9 Ų102.958%0.57650%0.5SS*.Hα-helixtrans-62-37.3175.7-75.3170.3000112.3R279 E287R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 2.91Å; L283-E287 WeakPolarHBondContact O-CB 3.28Å; L283-E287 PolarHBondContact O-N 3.19Å
284R97.7Very high96.5Very high118 Ų118101.3 Ų101.345%0.44549%0.494SS..Hα-helixtrans-61.7-41.6172.5-78.6-176.4-78.5-82.17.9112.2D280 D281 L282 M288D280-R284 WeakPolarHBondContact O-CG 3.42Å; D280-R284 PolarHBondContact O-N 2.98Å; D280-R284 VanDerWaalsContact O-N 3.08Å; D280-R284 PolarHBondContact O-NH1 3.48Å; D281-R284 WeakPolarHBondContact O-CB 3.4Å; D281-R284 PolarHBondContact O-N 3.28Å; D281-R284 IonicContact OD1-CZ 2.67Å; D281-R284 IonicContact OD1-NE 2.66Å; D281-R284 PolarHBondContact OD1-NE 3.08Å; D281-R284 IonicContact OD1-NH2 3.12Å; D281-R284 PolarHBondContact OD1-NH2 3.24Å; D281-R284 IonicContact OD2-NH2 2.59Å; D281-R284 PolarHBondContact OD2-NH2 3.16Å; L282-R284 VanDerWaalsContact C-N 3.31Å; L282-R284 PolarHBondContact O-N 3.15Å; R284-M288 WeakPolarHBondContact O-CG 3.5Å; R284-M288 PolarHBondContact O-N 3.11Å; R284-M288 VanDerWaalsContact O-N 3.08Å
285I97.6Very high96.6Very high91 Ų91106.1 Ų106.147%0.46750%0.502SS..Hα-helixtrans-63.5-50.9177.9-65.7165.4000110.3D281 L282 E287 M288 E289D281-I285 WeakPolarHBondContact O-CG1 3.23Å; D281-I285 PolarHBondContact O-N 3.25Å; D281-I285 VanDerWaalsContact O-N 3.15Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-I285 VanDerWaalsContact O-N 3.16Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 2.97Å; I285-M288 WeakPolarHBondContact O-CB 3.25Å; I285-M288 PolarHBondContact O-N 3.4Å; I285-M288 VanDerWaalsContact O-N 3.08Å; I285-E289 PolarHBondContact O-N 2.9Å
286I96.2Very high96.4Very high87 Ų87105.9 Ų105.945%0.44650%0.5SS..Hα-helixtrans-59.8-40.1179.8-65.9167000111.6L282 E289 R290L282-I286 HydrophobicContact CD1-CD1 4.25Å; L282-I286 HydrophobicContact CD1-CG1 4.46Å; L282-I286 HydrophobicContact CG-CD1 4Å; L282-I286 WeakPolarHBondContact O-CG1 3.3Å; L282-I286 PolarHBondContact O-N 3.49Å; I286-E289 PolarHBondContact O-N 3.49Å; I286-R290 WeakPolarHBondContact O-CB 3.4Å; I286-R290 PolarHBondContact O-N 2.96Å
287E97.2Very high96.1Very high70 Ų70106.5 Ų106.533%0.32750%0.504SS..Hα-helixtrans-63.9-40.9175.7179.759.4-137.200111.8L283 I285 R290 L291L283-E287 WeakPolarHBondContact O-CB 3.28Å; L283-E287 PolarHBondContact O-N 3.19Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 2.97Å; E287-R290 VanDerWaalsContact CD-CZ 3.46Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.78Å; E287-R290 IonicContact OE1-NE 3.14Å; E287-R290 IonicContact OE1-NH1 3.36Å; E287-R290 IonicContact OE1-NH2 3.3Å; E287-R290 PolarHBondContact OE1-NH2 3.21Å; E287-R290 IonicContact OE2-CZ 3.56Å; E287-R290 IonicContact OE2-NE 2.76Å; E287-R290 IonicContact OE2-NH1 2.7Å; E287-R290 PolarHBondContact OE2-NH1 2.97Å; E287-R290 IonicContact OE2-NH2 3.47Å; E287-R290 PolarHBondContact OE2-NH2 3.36Å; E287-L291 HydrophobicContact CG-CD1 4.42Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 2.91Å; E287-L291 VanDerWaalsContact O-N 3.09Å
288M96.2Very high95.9Very high141 Ų141106.8 Ų106.870%0.69551%0.508SS*.Hα-helixtrans-64.8-42.8174.5-74.1-171.266.500112.5R284 I285 L291 Q292R284-M288 WeakPolarHBondContact O-CG 3.5Å; R284-M288 PolarHBondContact O-N 3.11Å; R284-M288 VanDerWaalsContact O-N 3.08Å; I285-M288 WeakPolarHBondContact O-CB 3.25Å; I285-M288 PolarHBondContact O-N 3.4Å; I285-M288 VanDerWaalsContact O-N 3.08Å; M288-L291 PolarHBondContact O-N 3.05Å; M288-Q292 PolarHBondContact O-N 3.01Å
289E95.6Very high95.7Very high111 Ų111109.4 Ų109.452%0.51951%0.511SS..Hα-helixtrans-61.9-43.6175.7-71.3177.9167.700111.6I285 I286 L291 Q292 L293I285-E289 PolarHBondContact O-N 2.9Å; I286-E289 PolarHBondContact O-N 3.49Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.1Å; E289-Q292 PolarHBondContact O-N 3.42Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; E289-L293 WeakPolarHBondContact O-CG 3.38Å; E289-L293 PolarHBondContact O-N 2.9Å
290R94.7Very high95.3Very high148 Ų148106.8 Ų106.856%0.55851%0.507SS*.Hα-helixtrans-57.9-44.4175-167.5-171.579.3-154.22.6111.8I286 E287 Q292 H294I286-R290 WeakPolarHBondContact O-CB 3.4Å; I286-R290 PolarHBondContact O-N 2.96Å; E287-R290 VanDerWaalsContact CD-CZ 3.46Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.78Å; E287-R290 IonicContact OE1-NE 3.14Å; E287-R290 IonicContact OE1-NH1 3.36Å; E287-R290 IonicContact OE1-NH2 3.3Å; E287-R290 PolarHBondContact OE1-NH2 3.21Å; E287-R290 IonicContact OE2-CZ 3.56Å; E287-R290 IonicContact OE2-NE 2.76Å; E287-R290 IonicContact OE2-NH1 2.7Å; E287-R290 PolarHBondContact OE2-NH1 2.97Å; E287-R290 IonicContact OE2-NH2 3.47Å; E287-R290 PolarHBondContact OE2-NH2 3.36Å; R290-Q292 VanDerWaalsContact C-N 3.34Å; R290-H294 WeakPolarHBondContact O-CB 3.49Å; R290-H294 PolarHBondContact O-N 2.98Å
291L96.8Very high94.6Very high95 Ų95104.9 Ų104.950%0.49750%0.502SS..Hα-helixtrans-67.3-34.1177.7-70.1170.1000112.3E287 M288 E289 R295E287-L291 HydrophobicContact CG-CD1 4.42Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 2.91Å; E287-L291 VanDerWaalsContact O-N 3.09Å; M288-L291 PolarHBondContact O-N 3.05Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.1Å; L291-R295 PolarHBondContact O-N 3.15Å
292Q96.2Very high93.9Very high117 Ų117107.3 Ų107.355%0.54751%0.511SS..Hα-helixtrans-67.3-51173.7177.8170-21.300111.6M288 E289 R290 H294 R295 E296M288-Q292 PolarHBondContact O-N 3.01Å; E289-Q292 PolarHBondContact O-N 3.42Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; R290-Q292 VanDerWaalsContact C-N 3.34Å; Q292-H294 VanDerWaalsContact C-N 3.27Å; Q292-H294 PolarHBondContact O-N 2.94Å; Q292-R295 WeakPolarHBondContact O-CA 3.48Å; Q292-R295 WeakPolarHBondContact O-CB 3.35Å; Q292-R295 PolarHBondContact O-N 3.24Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.48Å; Q292-E296 PolarHBondContact NE2-OE1 3.34Å; Q292-E296 PolarHBondContact O-N 3.36Å
293L95.1Very high92.7Very high104 Ų104106.8 Ų106.855%0.54552%0.515SS..Hα-helixtrans-58.4-40.1177.5-70.7172.6000111.7E289 R295 E296 L297E289-L293 WeakPolarHBondContact O-CG 3.38Å; E289-L293 PolarHBondContact O-N 2.9Å; L293-R295 VanDerWaalsContact C-N 3.32Å; L293-R295 PolarHBondContact O-N 2.64Å; L293-E296 PolarHBondContact O-N 2.87Å; L293-L297 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.87Å
294H95.2Very high91.6Very high126 Ų126107.9 Ų107.958%0.58352%0.517SS*.Hα-helixtrans-62.7-37.9175.6-163.764.1000112.5R290 Q292 L298R290-H294 WeakPolarHBondContact O-CB 3.49Å; R290-H294 PolarHBondContact O-N 2.98Å; Q292-H294 VanDerWaalsContact C-N 3.27Å; Q292-H294 PolarHBondContact O-N 2.94Å; H294-L298 PolarHBondContact O-N 3.45Å; H294-L298 VanDerWaalsContact O-N 3.16Å
295R95.9Very high90.2Very high175 Ų175107.6 Ų107.666%0.6652%0.524SS*.Hα-helixtrans-67.9-35.1174.3-172.8-174.9-64.7-174.1-0.6112.4L291 Q292 L293 K299L291-R295 PolarHBondContact O-N 3.15Å; Q292-R295 WeakPolarHBondContact O-CA 3.48Å; Q292-R295 WeakPolarHBondContact O-CB 3.35Å; Q292-R295 PolarHBondContact O-N 3.24Å; L293-R295 VanDerWaalsContact C-N 3.32Å; L293-R295 PolarHBondContact O-N 2.64Å; R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.29Å
296E93.2Very high88.7Confident80 Ų80106.4 Ų106.437%0.37453%0.528SS..Hα-helixtrans-72-43177.2-71.4174.9-164.400111.9Q292 L293 L298 K299 I300Q292-E296 WeakPolarHBondContact CG-OE1 3.48Å; Q292-E296 PolarHBondContact NE2-OE1 3.34Å; Q292-E296 PolarHBondContact O-N 3.36Å; L293-E296 PolarHBondContact O-N 2.87Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 2.98Å; E296-K299 PolarHBondContact O-N 2.91Å; E296-I300 WeakPolarHBondContact O-CG1 3.44Å; E296-I300 PolarHBondContact O-N 3.4Å
297L92.7Very high87Confident116 Ų116109.3 Ų109.361%0.60754%0.54SS*.Hα-helixtrans-58.1-39.6172.9-72.8171.5000112.4L293 I300 G301L293-L297 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.87Å; L297-I300 PolarHBondContact O-N 3.32Å; L297-G301 PolarHBondContact O-N 3.48Å
298L91.3Very high85.1Confident105 Ų105107.7 Ų107.755%0.5554%0.542SS..Hα-helixtrans-59.9-47.8177-147.186.3000111.5H294 E296 I300 G301 E302H294-L298 PolarHBondContact O-N 3.45Å; H294-L298 VanDerWaalsContact O-N 3.16Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 2.98Å; L298-I300 VanDerWaalsContact C-N 3.34Å; L298-I300 PolarHBondContact O-N 2.97Å; L298-G301 PolarHBondContact O-N 3.23Å; L298-E302 WeakPolarHBondContact O-CG 3.48Å; L298-E302 PolarHBondContact O-N 2.88Å
299K91.6Very high83.2Confident122 Ų122106 Ų10653%0.5354%0.535SS..Hα-helixtrans-60.6-40.9177.1-68.2172.9179.6179.10112.3R295 E296 G301 E302 C303R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.29Å; E296-K299 PolarHBondContact O-N 2.91Å; K299-G301 VanDerWaalsContact C-N 3.34Å; K299-E302 PolarHBondContact O-N 2.93Å; K299-C303 PolarHBondContact O-N 3.24Å; K299-C303 VanDerWaalsContact O-N 3.09Å; K299-C303 PolarHBondContact O-SG 2.9Å; K299-C303 VanDerWaalsContact O-SG 3.39Å
300I88Confident81.3Confident92 Ų92107.5 Ų107.547%0.47254%0.54SS..Hα-helixtrans-63.2-42.8177.9-67.1166.3000110.4E296 L297 L298 E302 C303 Q304E296-I300 WeakPolarHBondContact O-CG1 3.44Å; E296-I300 PolarHBondContact O-N 3.4Å; L297-I300 PolarHBondContact O-N 3.32Å; L298-I300 VanDerWaalsContact C-N 3.34Å; L298-I300 PolarHBondContact O-N 2.97Å; I300-E302 PolarHBondContact O-N 2.9Å; I300-C303 PolarHBondContact O-N 3.28Å; I300-Q304 WeakPolarHBondContact O-CG 3.5Å; I300-Q304 PolarHBondContact O-N 3.34Å
301G83.7Confident79.4Confident24 Ų24105.1 Ų105.125%0.24754%0.542CS..Hα-helixtrans-62.6-38175.600000113.4L297 L298 K299 Q304 N305L297-G301 PolarHBondContact O-N 3.48Å; L298-G301 PolarHBondContact O-N 3.23Å; K299-G301 VanDerWaalsContact C-N 3.34Å; G301-Q304 PolarHBondContact O-N 3.17Å; G301-N305 PolarHBondContact O-N 2.84Å; G301-N305 VanDerWaalsContact O-N 3.12Å; G301-N305 PolarHBondContact O-ND2 3.44Å
302E81.3Confident77.3Confident122 Ų122110.9 Ų110.957%0.5756%0.557SS**Hα-helixtrans-62.9-45.2174.1-70.7170.6174.600111.8L298 K299 I300 N305 A306L298-E302 WeakPolarHBondContact O-CG 3.48Å; L298-E302 PolarHBondContact O-N 2.88Å; K299-E302 PolarHBondContact O-N 2.93Å; I300-E302 PolarHBondContact O-N 2.9Å; E302-N305 PolarHBondContact O-N 3.33Å; E302-A306 PolarHBondContact O-N 3.02Å; E302-A306 VanDerWaalsContact O-N 3.13Å
303C73.5Confident75.2Confident88 Ų88112.1 Ų112.160%0.59557%0.567SS**Hα-helixtrans-62.3-42.5176.4-67.20000112.9K299 I300 A306 Q307K299-C303 PolarHBondContact O-N 3.24Å; K299-C303 VanDerWaalsContact O-N 3.09Å; K299-C303 PolarHBondContact O-SG 2.9Å; K299-C303 VanDerWaalsContact O-SG 3.39Å; I300-C303 PolarHBondContact O-N 3.28Å; C303-A306 PolarHBondContact O-N 2.71Å; C303-Q307 PolarHBondContact O-N 3Å
304Q74.6Confident72.8Confident134 Ų134114.2 Ų114.263%0.62657%0.574SS**Hα-helixtrans-64.7-41178.9-72.6177.2-0.900112.2I300 G301 Q307 G308I300-Q304 WeakPolarHBondContact O-CG 3.5Å; I300-Q304 PolarHBondContact O-N 3.34Å; G301-Q304 PolarHBondContact O-N 3.17Å; Q304-Q307 PolarHBondContact O-N 3.35Å; Q304-G308 PolarHBondContact O-N 3.42Å
305N67.1Low70.4Confident111 Ų111113.6 Ų113.659%0.59458%0.584SS**Hα-helixtrans-64.3-40.2176.3-77.1-49.7000112.3G301 E302 Q307 G308 N309G301-N305 PolarHBondContact O-N 2.84Å; G301-N305 VanDerWaalsContact O-N 3.12Å; G301-N305 PolarHBondContact O-ND2 3.44Å; E302-N305 PolarHBondContact O-N 3.33Å; N305-Q307 VanDerWaalsContact C-N 3.29Å; N305-Q307 PolarHBondContact O-N 3Å; N305-G308 PolarHBondContact O-N 2.89Å; N305-N309 VanDerWaalsContact O-CG 3.25Å; N305-N309 PolarHBondContact O-N 2.96Å; N305-N309 VanDerWaalsContact O-N 3.16Å; N305-N309 PolarHBondContact O-ND2 3.27Å; N305-N309 VanDerWaalsContact O-ND2 3.13Å
306A67Low67.8Low67 Ų67109.9 Ų109.955%0.55459%0.585SS**Hα-helixtrans-60.5-37.9174.900000112.4E302 C303E302-A306 PolarHBondContact O-N 3.02Å; E302-A306 VanDerWaalsContact O-N 3.13Å; C303-A306 PolarHBondContact O-N 2.71Å
307Q60.2Low65.3Low148 Ų148116 Ų11669%0.69261%0.606SS**Hα-helixtrans-75-41.5178.9-171.1162.7-8.800112.9C303 Q304 N305 N309 K310 T311C303-Q307 PolarHBondContact O-N 3Å; Q304-Q307 PolarHBondContact O-N 3.35Å; N305-Q307 VanDerWaalsContact C-N 3.29Å; N305-Q307 PolarHBondContact O-N 3Å; Q307-N309 VanDerWaalsContact C-N 3.28Å; Q307-N309 PolarHBondContact O-N 3.37Å; Q307-K310 PolarHBondContact O-N 3.05Å; Q307-K310 VanDerWaalsContact O-N 3.15Å; Q307-T311 PolarHBondContact O-N 3.1Å
308G58Low62.6Low35 Ų35118.7 Ų118.736%0.36162%0.62SS.*Hα-helixtrans-65.2-27.8177.200000114.2Q304 N305 K310 T311Q304-G308 PolarHBondContact O-N 3.42Å; N305-G308 PolarHBondContact O-N 2.89Å; G308-K310 VanDerWaalsContact C-N 3.34Å; G308-T311 PolarHBondContact O-OG1 3.49Å
309N56.1Low60.5Low105 Ų105119.1 Ų119.156%0.56163%0.629SS**Hα-helixtrans-71.7-27.5174.4-72-26.7000112.8N305 Q307N305-N309 VanDerWaalsContact O-CG 3.25Å; N305-N309 PolarHBondContact O-N 2.96Å; N305-N309 VanDerWaalsContact O-N 3.16Å; N305-N309 PolarHBondContact O-ND2 3.27Å; N305-N309 VanDerWaalsContact O-ND2 3.13Å; Q307-N309 VanDerWaalsContact C-N 3.28Å; Q307-N309 PolarHBondContact O-N 3.37Å
310K54.6Low58.5Low144 Ų144118.3 Ų118.363%0.62664%0.639SS**Hα-helixtrans-74.4-45.9179.8-170.6175.1178.9-179.70112.2Q307 G308 R312 L313Q307-K310 PolarHBondContact O-N 3.05Å; Q307-K310 VanDerWaalsContact O-N 3.15Å; G308-K310 VanDerWaalsContact C-N 3.34Å; K310-R312 PolarHBondContact O-N 3.09Å; K310-L313 PolarHBondContact O-N 2.81Å
311T55.3Low56.3Low98 Ų98120.9 Ų120.960%0.60165%0.652SS**Hα-helixtrans-66.3-21179.438.90000113.9Q307 G308Q307-T311 PolarHBondContact O-N 3.1Å; G308-T311 PolarHBondContact O-OG1 3.49Å
312R52.1Low54.4Low215 Ų215126 Ų12681%0.81167%0.667SS**Hα-helixtrans-75.5-19175.9-114.5-178.9180-171.80.6114.8K310K310-R312 PolarHBondContact O-N 3.09Å
313L52.8Low52.9Low144 Ų144126.4 Ų126.475%0.75467%0.669SS**Hα-helixtrans-91.1-28.4-176.3-93.1148.4000113.7K310K310-L313 PolarHBondContact O-N 2.81Å
314E44.5Very low51.8Low148 Ų148127 Ų12769%0.69267%0.672SS**Hα-helixtrans-80.3-16.9-176.6-70.5174170.400113.6S316E314-S316 VanDerWaalsContact C-N 3.3Å; E314-S316 PolarHBondContact O-N 2.94Å
315S45Very low50.6Low113 Ų113127.5 Ų127.579%0.7967%0.674SS**THydrogen-bonded Turntrans-78.11.1-173.7-172.40000115.6
316S41Very low50Low96 Ų96128.7 Ų128.767%0.67167%0.671SS**THydrogen-bonded Turntrans-107.75.4-158.9-159.50000117.4E314E314-S316 VanDerWaalsContact C-N 3.3Å; E314-S316 PolarHBondContact O-N 2.94Å
317Y40.3Very low49.4Very low210 Ų210130.2 Ų130.282%0.82467%0.665SS**  trans-138.4100.8-174.4-82.7-87.4000114.7
318L37.3Very low49.2Very low171 Ų171128.7 Ų128.790%0.89566%0.66SS**  165.6139122.1-93.9155.1000112.6
319P45.6Very low49.2Very low115 Ų115135.1 Ų135.175%0.74768%0.678SS**  trans-113.6143.2-17736.9-26000116.4
320S49.5Very low49.1Very low105 Ų105134.8 Ų134.873%0.73467%0.673SS**  trans74.4157139.2-1500000122.4
321I43.2Very low49.2Very low146 Ų146133.3 Ų133.375%0.74967%0.672SS**  trans62.286.7166.9-37.3-175.5000117.6
322K43.6Very low49Very low130 Ų130135.9 Ų135.957%0.56568%0.675SS**  trans173.960.2140.6-98.1175.8-176.2-168.40111.3R326K322-R326 WeakPolarHBondContact O-CB 3.37Å; K322-R326 WeakPolarHBondContact O-CG 3.42Å
323E49.5Very low49.2Very low132 Ų132128 Ų12862%0.61765%0.653SS**Hα-helixtrans-80.7-31.3-170.4-99.5-165.6103.900118.4K327E323-K327 VanDerWaalsContact O-CD 3.23Å; E323-K327 WeakPolarHBondContact O-CD 3.48Å; E323-K327 WeakPolarHBondContact O-CE 3.24Å; E323-K327 WeakPolarHBondContact O-CG 3.42Å; E323-K327 VanDerWaalsContact OE1-CE 3.32Å; E323-K327 WeakPolarHBondContact OE1-CE 3.47Å; E323-K327 IonicContact OE1-NZ 2.65Å; E323-K327 PolarHBondContact OE1-NZ 2.96Å
324P50.9Low49.4Very low100 Ų100125.2 Ų125.265%0.64964%0.641SS**Hα-helixtrans-79.1-40.8-177.3-9.824.5000112.9
325E48.3Very low49.9Very low144 Ų144124 Ų12467%0.67364%0.637SS**Hα-helixtrans-81.8-26.8-172.9-63.4179.9153.400113.2
326R55.3Low50.5Low137 Ų137126.3 Ų126.352%0.51764%0.636SS.*Hα-helixtrans-68.4-45.2170.7-76.1-174.3-172.9147.95.3111.1K322 I328 K329 E330K322-R326 WeakPolarHBondContact O-CB 3.37Å; K322-R326 WeakPolarHBondContact O-CG 3.42Å; R326-I328 VanDerWaalsContact C-N 3.25Å; R326-I328 PolarHBondContact O-N 3.3Å; R326-I328 VanDerWaalsContact O-N 3.14Å; R326-K329 CarbonylContact O-C 3.56Å; R326-K329 PolarHBondContact O-N 3.31Å; R326-E330 WeakPolarHBondContact O-CB 3.34Å; R326-E330 WeakPolarHBondContact O-CG 3.37Å; R326-E330 PolarHBondContact O-N 3.04Å
327K54Low51.2Low99 Ų99125.3 Ų125.343%0.4362%0.622SS.*Hα-helixtrans-55.8-36.8-177.2-72.4174.2-168.7-179.20113.3E323 E330 L331E323-K327 VanDerWaalsContact O-CD 3.23Å; E323-K327 WeakPolarHBondContact O-CD 3.48Å; E323-K327 WeakPolarHBondContact O-CE 3.24Å; E323-K327 WeakPolarHBondContact O-CG 3.42Å; E323-K327 VanDerWaalsContact OE1-CE 3.32Å; E323-K327 WeakPolarHBondContact OE1-CE 3.47Å; E323-K327 IonicContact OE1-NZ 2.65Å; E323-K327 PolarHBondContact OE1-NZ 2.96Å; K327-E330 WeakPolarHBondContact CA-OE2 3.44Å; K327-L331 WeakPolarHBondContact O-CB 3.47Å; K327-L331 VanDerWaalsContact O-CD1 3.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.47Å; K327-L331 PolarHBondContact O-N 2.94Å
328I56.6Low52.3Low116 Ų116120.6 Ų120.660%0.59561%0.608SS**Hα-helixtrans-70.8-40.2176.7-61.1175.8000111.6R326 F332R326-I328 VanDerWaalsContact C-N 3.25Å; R326-I328 PolarHBondContact O-N 3.3Å; R326-I328 VanDerWaalsContact O-N 3.14Å; I328-F332 WeakPolarHBondContact O-CD2 3.41Å; I328-F332 PolarHBondContact O-N 3.35Å
329K56.7Low53.7Low170 Ų170116 Ų11674%0.73959%0.589SS**Hα-helixtrans-71-37.7173.7-84.8-175.4171.8-1790112.7R326 F332 S333R326-K329 CarbonylContact O-C 3.56Å; R326-K329 PolarHBondContact O-N 3.31Å; K329-F332 PolarHBondContact O-N 2.67Å; K329-S333 PolarHBondContact O-N 3.32Å; K329-S333 PolarHBondContact O-OG 3.05Å
330E55.6Low54.8Low97 Ų97115.2 Ų115.245%0.45358%0.578SS.*Hα-helixtrans-62.1-43.8175.3-75.6165170.800110.9R326 K327 F332 S333 V334R326-E330 WeakPolarHBondContact O-CB 3.34Å; R326-E330 WeakPolarHBondContact O-CG 3.37Å; R326-E330 PolarHBondContact O-N 3.04Å; K327-E330 WeakPolarHBondContact CA-OE2 3.44Å; E330-F332 VanDerWaalsContact C-N 3.32Å; E330-F332 PolarHBondContact O-N 3.34Å; E330-S333 WeakPolarHBondContact CA-OG 3.46Å; E330-S333 PolarHBondContact O-N 3.48Å; E330-S333 PolarHBondContact O-OG 3.07Å; E330-V334 VanDerWaalsContact O-CB 3.26Å; E330-V334 WeakPolarHBondContact O-CB 3.44Å; E330-V334 WeakPolarHBondContact O-CG2 3.39Å; E330-V334 PolarHBondContact O-N 3.3Å
331L56.1Low55.8Low114 Ų114115 Ų11560%0.59757%0.565SS**Hα-helixtrans-59.2-40.1173.1-101.1120.4000112.5K327 M335K327-L331 WeakPolarHBondContact O-CB 3.47Å; K327-L331 VanDerWaalsContact O-CD1 3.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.47Å; K327-L331 PolarHBondContact O-N 2.94Å; L331-M335 WeakPolarHBondContact O-CG 3.27Å; L331-M335 PolarHBondContact O-N 2.93Å
332F52.1Low57.5Low151 Ų151113.5 Ų113.566%0.66256%0.555SS**Hα-helixtrans-70.9-36.7177.1-92.4-78.8000113.4I328 K329 E330 Q336I328-F332 WeakPolarHBondContact O-CD2 3.41Å; I328-F332 PolarHBondContact O-N 3.35Å; K329-F332 PolarHBondContact O-N 2.67Å; E330-F332 VanDerWaalsContact C-N 3.32Å; E330-F332 PolarHBondContact O-N 3.34Å; F332-Q336 PolarHBondContact O-N 2.95Å
333S56.3Low59.3Low51 Ų51114.4 Ų114.436%0.35756%0.559SS.*Hα-helixtrans-70.6-39.2171.446.10000112.4K329 E330 M335 Q336 D337K329-S333 PolarHBondContact O-N 3.32Å; K329-S333 PolarHBondContact O-OG 3.05Å; E330-S333 WeakPolarHBondContact CA-OG 3.46Å; E330-S333 PolarHBondContact O-N 3.48Å; E330-S333 PolarHBondContact O-OG 3.07Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 3.47Å; S333-Q336 CarbonylContact O-C 3.6Å; S333-Q336 WeakPolarHBondContact O-CA 3.13Å; S333-Q336 WeakPolarHBondContact O-CB 3.42Å; S333-Q336 PolarHBondContact O-N 3.09Å; S333-D337 PolarHBondContact O-N 3.42Å
334V56.9Low60.8Low84 Ų84112.5 Ų112.551%0.50955%0.55SS..Hα-helixtrans-62.5-36.2176.4165.70000111.7E330 Q336 Q338E330-V334 VanDerWaalsContact O-CB 3.26Å; E330-V334 WeakPolarHBondContact O-CB 3.44Å; E330-V334 WeakPolarHBondContact O-CG2 3.39Å; E330-V334 PolarHBondContact O-N 3.3Å; V334-Q336 VanDerWaalsContact C-N 3.3Å; V334-Q336 PolarHBondContact O-N 3.23Å; V334-Q338 PolarHBondContact O-N 3.4Å
335M54.6Low62.1Low123 Ų123112.7 Ų112.761%0.60655%0.545SS*.Hα-helixtrans-68.1-27.1171.1-75.6-174.669.900113.3L331 S333L331-M335 WeakPolarHBondContact O-CG 3.27Å; L331-M335 PolarHBondContact O-N 2.93Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 3.47Å
336Q56.4Low63.8Low162 Ų162109.2 Ų109.276%0.75753%0.531SS*.Hα-helixtrans-84-30.4177.7-162.81685.800112.4F332 S333 V334F332-Q336 PolarHBondContact O-N 2.95Å; S333-Q336 CarbonylContact O-C 3.6Å; S333-Q336 WeakPolarHBondContact O-CA 3.13Å; S333-Q336 WeakPolarHBondContact O-CB 3.42Å; S333-Q336 PolarHBondContact O-N 3.09Å; V334-Q336 VanDerWaalsContact C-N 3.3Å; V334-Q336 PolarHBondContact O-N 3.23Å
337D56.8Low65.3Low74 Ų74108 Ų10840%0.39653%0.53SS..Hα-helixtrans-85.5-10.4174.5-72-46.5000113.6S333 N340 H341S333-D337 PolarHBondContact O-N 3.42Å; D337-N340 CarbonylContact O-C 3.6Å; D337-N340 WeakPolarHBondContact O-CA 3.47Å; D337-N340 VanDerWaalsContact O-CB 3.26Å; D337-N340 WeakPolarHBondContact O-CB 3.39Å; D337-N340 PolarHBondContact O-N 2.88Å; D337-H341 PolarHBondContact O-CD2 2.85Å; D337-H341 PolarHBondContact O-N 3.37Å
338Q61.9Low66.9Low112 Ų112107.7 Ų107.752%0.52353%0.532SS..Hα-helixtrans-46-49.2177.7-173172-11.400114.9V334 N340 H341 E342V334-Q338 PolarHBondContact O-N 3.4Å; Q338-N340 PolarHBondContact O-N 2.84Å; Q338-H341 PolarHBondContact O-N 2.95Å; Q338-E342 WeakPolarHBondContact O-CB 3.48Å; Q338-E342 PolarHBondContact O-N 2.85Å
339P68.4Low68.4Low75 Ų75109.5 Ų109.549%0.48753%0.531SS..Hα-helixtrans-70.3-14.7176.929-36.7000114K343P339-K343 WeakPolarHBondContact O-CD 3.42Å; P339-K343 VanDerWaalsContact O-CG 3.29Å; P339-K343 WeakPolarHBondContact O-CG 3.44Å; P339-K343 PolarHBondContact O-N 3.47Å
340N68.9Low69.8Low97 Ų97104.9 Ų104.952%0.51952%0.52SS..Hα-helixtrans-85.2-42.9173.7-155.425.2000110.4D337 Q338 E342 K343 E344D337-N340 CarbonylContact O-C 3.6Å; D337-N340 WeakPolarHBondContact O-CA 3.47Å; D337-N340 VanDerWaalsContact O-CB 3.26Å; D337-N340 WeakPolarHBondContact O-CB 3.39Å; D337-N340 PolarHBondContact O-N 2.88Å; Q338-N340 PolarHBondContact O-N 2.84Å; N340-E342 VanDerWaalsContact C-N 3.31Å; N340-E342 PolarHBondContact O-N 3.27Å; N340-K343 PolarHBondContact O-N 3.27Å; N340-E344 PolarHBondContact O-N 3.37Å
341H69.8Low71.4Confident101 Ų101105.1 Ų105.147%0.46852%0.521SS..Hα-helixtrans-61-37.6170.3-66.9-51.7000112.6D337 Q338 E344 L345D337-H341 PolarHBondContact O-CD2 2.85Å; D337-H341 PolarHBondContact O-N 3.37Å; Q338-H341 PolarHBondContact O-N 2.95Å; H341-E344 PolarHBondContact O-N 3.1Å; H341-L345 WeakPolarHBondContact O-CB 3.42Å; H341-L345 WeakPolarHBondContact O-CG 3.45Å; H341-L345 PolarHBondContact O-N 3.36Å
342E77.8Confident72.9Confident115 Ų115105.4 Ų105.454%0.53752%0.523SS..Hα-helixtrans-69.5-33.9176.1-170.9163.6-163.400112.4Q338 N340 N346Q338-E342 WeakPolarHBondContact O-CB 3.48Å; Q338-E342 PolarHBondContact O-N 2.85Å; N340-E342 VanDerWaalsContact C-N 3.31Å; N340-E342 PolarHBondContact O-N 3.27Å; E342-N346 WeakPolarHBondContact O-CB 3.29Å; E342-N346 VanDerWaalsContact O-CG 3.28Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-N346 PolarHBondContact O-ND2 2.9Å
343K81.3Confident74.6Confident149 Ų149103.2 Ų103.265%0.64851%0.514SS*.Hα-helixtrans-66.9-44.7170.3-77.3172.2-177.9177.80112.3P339 N340 N346 K347P339-K343 WeakPolarHBondContact O-CD 3.42Å; P339-K343 VanDerWaalsContact O-CG 3.29Å; P339-K343 WeakPolarHBondContact O-CG 3.44Å; P339-K343 PolarHBondContact O-N 3.47Å; N340-K343 PolarHBondContact O-N 3.27Å; K343-N346 PolarHBondContact O-N 2.91Å; K343-K347 VanDerWaalsContact O-CB 3.25Å; K343-K347 WeakPolarHBondContact O-CB 3.32Å; K343-K347 PolarHBondContact O-N 3.31Å
344E81.8Confident76.1Confident91 Ų91107.2 Ų107.243%0.42553%0.528SS..Hα-helixtrans-63.3-42.6175.4-77.8-79.811100111.4N340 H341 K347 I348N340-E344 PolarHBondContact O-N 3.37Å; H341-E344 PolarHBondContact O-N 3.1Å; E344-K347 PolarHBondContact O-N 2.92Å; E344-K347 IonicContact OE1-NZ 3.12Å; E344-K347 PolarHBondContact OE1-NZ 2.82Å; E344-K347 VanDerWaalsContact OE1-NZ 3.12Å; E344-I348 WeakPolarHBondContact O-CB 3.4Å; E344-I348 VanDerWaalsContact O-CG1 3.26Å; E344-I348 WeakPolarHBondContact O-CG1 3.27Å; E344-I348 PolarHBondContact O-N 3.48Å
345L78.6Confident77.6Confident105 Ų105107.9 Ų107.955%0.5553%0.531SS..Hα-helixtrans-62.8-42.5174.5-79.7169.5000112.7H341 I348 R349H341-L345 WeakPolarHBondContact O-CB 3.42Å; H341-L345 WeakPolarHBondContact O-CG 3.45Å; H341-L345 PolarHBondContact O-N 3.36Å; L345-I348 PolarHBondContact O-N 2.87Å; L345-R349 VanDerWaalsContact O-CB 3.28Å; L345-R349 WeakPolarHBondContact O-CB 3.38Å; L345-R349 PolarHBondContact O-N 3.45Å
346N83.3Confident79.1Confident71 Ų71107.6 Ų107.638%0.3853%0.529SS..Hα-helixtrans-67.7-36.2176.1-75.4-37.7000111.8E342 K343 R349 S350E342-N346 WeakPolarHBondContact O-CB 3.29Å; E342-N346 VanDerWaalsContact O-CG 3.28Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-N346 PolarHBondContact O-ND2 2.9Å; K343-N346 PolarHBondContact O-N 2.91Å; N346-R349 PolarHBondContact O-N 3.26Å; N346-S350 WeakPolarHBondContact O-CB 3.29Å; N346-S350 PolarHBondContact O-N 2.9Å; N346-S350 PolarHBondContact O-OG 3Å
347K88.1Confident80.7Confident111 Ų111105.8 Ų105.848%0.48352%0.52SS..Hα-helixtrans-66-44.5173.9-178.5-177.6170.3-163.70112.2K343 E344 R349 S350 Q351K343-K347 VanDerWaalsContact O-CB 3.25Å; K343-K347 WeakPolarHBondContact O-CB 3.32Å; K343-K347 PolarHBondContact O-N 3.31Å; E344-K347 PolarHBondContact O-N 2.92Å; E344-K347 IonicContact OE1-NZ 3.12Å; E344-K347 PolarHBondContact OE1-NZ 2.82Å; E344-K347 VanDerWaalsContact OE1-NZ 3.12Å; K347-R349 VanDerWaalsContact C-N 3.34Å; K347-S350 PolarHBondContact O-N 3.35Å; K347-Q351 WeakPolarHBondContact O-CB 3.41Å; K347-Q351 VanDerWaalsContact O-CG 3.31Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 3.31Å
348I85.9Confident82.2Confident92 Ų92108.9 Ų108.947%0.47253%0.527SS..Hα-helixtrans-61.2-43.8172.8-69.3164000110.1E344 L345 Q351 L352E344-I348 WeakPolarHBondContact O-CB 3.4Å; E344-I348 VanDerWaalsContact O-CG1 3.26Å; E344-I348 WeakPolarHBondContact O-CG1 3.27Å; E344-I348 PolarHBondContact O-N 3.48Å; L345-I348 PolarHBondContact O-N 2.87Å; I348-Q351 PolarHBondContact O-N 3.24Å; I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 3.01Å
349R89.2Confident83.7Confident154 Ų154109.3 Ų109.358%0.58153%0.529SS*.Hα-helixtrans-61.6-46.3177.3-171.2-179.5-65.9158-0.2111.8L345 N346 K347 Q351 L352 Q353L345-R349 VanDerWaalsContact O-CB 3.28Å; L345-R349 WeakPolarHBondContact O-CB 3.38Å; L345-R349 PolarHBondContact O-N 3.45Å; N346-R349 PolarHBondContact O-N 3.26Å; K347-R349 VanDerWaalsContact C-N 3.34Å; R349-Q351 PolarHBondContact O-N 3.09Å; R349-L352 WeakPolarHBondContact O-CB 3.36Å; R349-L352 PolarHBondContact O-N 3.37Å; R349-Q353 WeakPolarHBondContact O-CB 3.41Å; R349-Q353 PolarHBondContact O-N 2.66Å
350S85.5Confident84.7Confident73 Ų73109.5 Ų109.551%0.5153%0.526SS..Hα-helixtrans-63.2-39.3175.7-61.30000112.6N346 K347 Q353 Q354N346-S350 WeakPolarHBondContact O-CB 3.29Å; N346-S350 PolarHBondContact O-N 2.9Å; N346-S350 PolarHBondContact O-OG 3Å; K347-S350 PolarHBondContact O-N 3.35Å; S350-Q353 PolarHBondContact O-N 2.78Å; S350-Q354 WeakPolarHBondContact O-CB 3.42Å; S350-Q354 PolarHBondContact O-N 3.44Å
351Q89.9Confident85.8Confident103 Ų103107.1 Ų107.148%0.48152%0.517SS..Hα-helixtrans-65-41.6174.3-75.5175.9-20.600112K347 I348 R349 Q353 Q354 V355K347-Q351 WeakPolarHBondContact O-CB 3.41Å; K347-Q351 VanDerWaalsContact O-CG 3.31Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 3.31Å; I348-Q351 PolarHBondContact O-N 3.24Å; R349-Q351 PolarHBondContact O-N 3.09Å; Q351-Q353 VanDerWaalsContact C-N 3.34Å; Q351-Q354 PolarHBondContact O-N 2.92Å; Q351-V355 WeakPolarHBondContact O-CG2 3.48Å; Q351-V355 PolarHBondContact O-N 3.46Å
352L87.2Confident86.9Confident119 Ų119104.9 Ų104.962%0.62351%0.507SS*.Hα-helixtrans-60.9-46.4175.9-151.386.1000110.7I348 R349 Q354 V355 E356I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 3.01Å; R349-L352 WeakPolarHBondContact O-CB 3.36Å; R349-L352 PolarHBondContact O-N 3.37Å; L352-Q354 PolarHBondContact O-N 3.44Å; L352-V355 PolarHBondContact O-N 2.88Å; L352-E356 VanDerWaalsContact O-CB 3.32Å; L352-E356 WeakPolarHBondContact O-CB 3.44Å; L352-E356 PolarHBondContact O-N 3.02Å
353Q87.4Confident87.6Confident105 Ų105103.3 Ų103.349%0.49150%0.499SS..Hα-helixtrans-63.8-40.6180-153.8166.67.100111.8R349 S350 Q351 E356 E357R349-Q353 WeakPolarHBondContact O-CB 3.41Å; R349-Q353 PolarHBondContact O-N 2.66Å; S350-Q353 PolarHBondContact O-N 2.78Å; Q351-Q353 VanDerWaalsContact C-N 3.34Å; Q353-E356 PolarHBondContact O-N 3.48Å; Q353-E357 WeakPolarHBondContact O-CB 3.07Å; Q353-E357 WeakPolarHBondContact O-CG 3.29Å; Q353-E357 PolarHBondContact O-N 2.84Å
354Q88.6Confident88.2Confident136 Ų136100.5 Ų100.564%0.63649%0.488SS*.Hα-helixtrans-65.9-38.1174.7-172176.820.700112.8S350 Q351 L352 Y358S350-Q354 WeakPolarHBondContact O-CB 3.42Å; S350-Q354 PolarHBondContact O-N 3.44Å; Q351-Q354 PolarHBondContact O-N 2.92Å; L352-Q354 PolarHBondContact O-N 3.44Å; Q354-Y358 WeakPolarHBondContact O-CB 3.44Å; Q354-Y358 PolarHBondContact O-N 3.24Å
355V88.2Confident88.9Confident97 Ų97102.6 Ų102.659%0.58849%0.493SS*.Hα-helixtrans-69.9-36.6174.6170.10000111.1Q351 L352 Y358 H359Q351-V355 WeakPolarHBondContact O-CG2 3.48Å; Q351-V355 PolarHBondContact O-N 3.46Å; L352-V355 PolarHBondContact O-N 2.88Å; V355-Y358 PolarHBondContact O-N 3.38Å; V355-H359 VanDerWaalsContact O-CB 3.31Å; V355-H359 WeakPolarHBondContact O-CB 3.36Å; V355-H359 PolarHBondContact O-N 3.32Å
356E86.4Confident89.6Confident117 Ų117102.9 Ų102.955%0.54749%0.493SS..Hα-helixtrans-68.5-42.1176.7-171.2168.4-146.500111.7L352 Q353 H359 N360L352-E356 VanDerWaalsContact O-CB 3.32Å; L352-E356 WeakPolarHBondContact O-CB 3.44Å; L352-E356 PolarHBondContact O-N 3.02Å; Q353-E356 PolarHBondContact O-N 3.48Å; E356-H359 PolarHBondContact O-N 2.86Å; E356-N360 WeakPolarHBondContact O-CB 3.48Å; E356-N360 PolarHBondContact O-N 3.21Å; E356-N360 PolarHBondContact O-ND2 3.3Å
357E90.1Very high90.3Very high124 Ų124104.4 Ų104.458%0.57949%0.493SS*.Hα-helixtrans-61.2-45.5171-76172.3-173.100111.8Q353 N360 S361Q353-E357 WeakPolarHBondContact O-CB 3.07Å; Q353-E357 WeakPolarHBondContact O-CG 3.29Å; Q353-E357 PolarHBondContact O-N 2.84Å; E357-N360 PolarHBondContact O-N 3.4Å; E357-S361 PolarHBondContact O-N 3.41Å
358Y88.9Confident90.6Very high139 Ų139103.1 Ų103.155%0.54549%0.491SS..Hα-helixtrans-61.8-46175.8176.6-111.7000111.6Q354 V355 N360 S361 E362Q354-Y358 WeakPolarHBondContact O-CB 3.44Å; Q354-Y358 PolarHBondContact O-N 3.24Å; V355-Y358 PolarHBondContact O-N 3.38Å; Y358-N360 PolarHBondContact O-N 3.31Å; Y358-S361 WeakPolarHBondContact O-CB 3.36Å; Y358-S361 PolarHBondContact O-N 2.76Å; Y358-S361 VanDerWaalsContact O-N 3.1Å; Y358-S361 PolarHBondContact O-OG 3.42Å; Y358-E362 HydrophobicContact CE1-CG 4.14Å; Y358-E362 HydrophobicContact CE2-CG 4.02Å; Y358-E362 VanDerWaalsContact CE2-OE1 3.23Å; Y358-E362 WeakPolarHBondContact CE2-OE1 3.28Å; Y358-E362 PolarHBondContact O-N 3.4Å; Y358-E362 PolarHBondContact OH-OE1 3.36Å
359H92.1Very high91.1Very high121 Ų121104.5 Ų104.556%0.5650%0.496SS*.Hα-helixtrans-63-41.9177.9-174.357000112.3V355 E356 S361 E362 Q363V355-H359 VanDerWaalsContact O-CB 3.31Å; V355-H359 WeakPolarHBondContact O-CB 3.36Å; V355-H359 PolarHBondContact O-N 3.32Å; E356-H359 PolarHBondContact O-N 2.86Å; H359-S361 VanDerWaalsContact C-N 3.29Å; H359-S361 PolarHBondContact O-N 2.92Å; H359-E362 PolarHBondContact O-N 2.59Å; H359-Q363 WeakPolarHBondContact O-CB 3.31Å; H359-Q363 PolarHBondContact O-N 3.07Å
360N88.9Confident91.4Very high80 Ų80102 Ų10243%0.42849%0.493SS..Hα-helixtrans-60.8-38.4172.5-79-57.4000111.6E356 E357 Y358 Q363 E364E356-N360 WeakPolarHBondContact O-CB 3.48Å; E356-N360 PolarHBondContact O-N 3.21Å; E356-N360 PolarHBondContact O-ND2 3.3Å; E357-N360 PolarHBondContact O-N 3.4Å; Y358-N360 PolarHBondContact O-N 3.31Å; N360-Q363 PolarHBondContact O-N 2.89Å; N360-E364 WeakPolarHBondContact O-CB 3.42Å; N360-E364 PolarHBondContact O-N 3.44Å
361S92.3Very high91.8Very high47 Ų47101.9 Ų101.933%0.32949%0.492SS..Hα-helixtrans-67-37.517782.40000113.4E357 Y358 H359 R365E357-S361 PolarHBondContact O-N 3.41Å; Y358-S361 WeakPolarHBondContact O-CB 3.36Å; Y358-S361 PolarHBondContact O-N 2.76Å; Y358-S361 VanDerWaalsContact O-N 3.1Å; Y358-S361 PolarHBondContact O-OG 3.42Å; H359-S361 VanDerWaalsContact C-N 3.29Å; H359-S361 PolarHBondContact O-N 2.92Å; S361-R365 PolarHBondContact O-N 2.99Å
362E93.5Very high92.1Very high54 Ų54102.1 Ų102.125%0.25250%0.497SS..Hα-helixtrans-70.1-40.9173.1-65.6-63.1175.200111.5Y358 H359 E364 R365 M366Y358-E362 HydrophobicContact CE1-CG 4.14Å; Y358-E362 HydrophobicContact CE2-CG 4.02Å; Y358-E362 VanDerWaalsContact CE2-OE1 3.23Å; Y358-E362 WeakPolarHBondContact CE2-OE1 3.28Å; Y358-E362 PolarHBondContact O-N 3.4Å; Y358-E362 PolarHBondContact OH-OE1 3.36Å; H359-E362 PolarHBondContact O-N 2.59Å; E362-E364 VanDerWaalsContact C-N 3.27Å; E362-E364 PolarHBondContact O-N 3.44Å; E362-R365 WeakPolarHBondContact O-CB 3.23Å; E362-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-CZ 3.74Å; E362-R365 IonicContact OE1-NE 3.96Å; E362-R365 IonicContact OE1-NH2 2.73Å; E362-R365 PolarHBondContact OE1-NH2 3.2Å; E362-R365 IonicContact OE2-CZ 3.27Å; E362-R365 VanDerWaalsContact OE2-CZ 3.27Å; E362-R365 IonicContact OE2-NE 2.79Å; E362-R365 PolarHBondContact OE2-NE 3.35Å; E362-R365 IonicContact OE2-NH2 3Å; E362-R365 PolarHBondContact OE2-NH2 3.49Å; E362-M366 WeakPolarHBondContact O-CG 3.36Å; E362-M366 PolarHBondContact O-N 2.95Å
363Q93.1Very high92.6Very high81 Ų81101.1 Ų101.138%0.37949%0.491SS..Hα-helixtrans-64.8-33.7177.6-156.8-168.63900111.7H359 N360 R367H359-Q363 WeakPolarHBondContact O-CB 3.31Å; H359-Q363 PolarHBondContact O-N 3.07Å; N360-Q363 PolarHBondContact O-N 2.89Å; Q363-R367 WeakPolarHBondContact O-CG 3.38Å; Q363-R367 PolarHBondContact O-N 3.28Å
364E93.9Very high92.9Very high90 Ų90100.3 Ų100.342%0.42149%0.494SS..Hα-helixtrans-71.9-40.2173.8-159.664.2-167.800112.1N360 E362 M366 R367 N368N360-E364 WeakPolarHBondContact O-CB 3.42Å; N360-E364 PolarHBondContact O-N 3.44Å; E362-E364 VanDerWaalsContact C-N 3.27Å; E362-E364 PolarHBondContact O-N 3.44Å; E364-M366 VanDerWaalsContact C-N 3.33Å; E364-M366 PolarHBondContact O-N 3.13Å; E364-R367 PolarHBondContact O-N 3.16Å; E364-R367 IonicContact OE2-CZ 3.68Å; E364-R367 IonicContact OE2-NE 3.41Å; E364-R367 PolarHBondContact OE2-NE 3.25Å; E364-R367 IonicContact OE2-NH2 2.87Å; E364-R367 PolarHBondContact OE2-NH2 3.42Å; E364-N368 VanDerWaalsContact O-CG 3.31Å; E364-N368 PolarHBondContact O-N 2.92Å; E364-N368 PolarHBondContact O-ND2 2.88Å
365R95.2Very high93.2Very high135 Ų135100.7 Ų100.751%0.50950%0.496SS..Hα-helixtrans-54.8-49.3169.6-86.1-165.6-82.5-90.19.1111.5S361 E362 R367 N368 E369S361-R365 PolarHBondContact O-N 2.99Å; E362-R365 WeakPolarHBondContact O-CB 3.23Å; E362-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-CZ 3.74Å; E362-R365 IonicContact OE1-NE 3.96Å; E362-R365 IonicContact OE1-NH2 2.73Å; E362-R365 PolarHBondContact OE1-NH2 3.2Å; E362-R365 IonicContact OE2-CZ 3.27Å; E362-R365 VanDerWaalsContact OE2-CZ 3.27Å; E362-R365 IonicContact OE2-NE 2.79Å; E362-R365 PolarHBondContact OE2-NE 3.35Å; E362-R365 IonicContact OE2-NH2 3Å; E362-R365 PolarHBondContact OE2-NH2 3.49Å; R365-R367 VanDerWaalsContact C-N 3.35Å; R365-R367 PolarHBondContact O-N 2.92Å; R365-N368 PolarHBondContact O-N 3.04Å; R365-E369 PolarHBondContact O-N 2.92Å
366M94.9Very high93.6Very high112 Ų112100.8 Ų100.855%0.55249%0.49SS*.Hα-helixtrans-62.7-37.8177.5-70.7179.665.300112.7E362 E364 I370E362-M366 WeakPolarHBondContact O-CG 3.36Å; E362-M366 PolarHBondContact O-N 2.95Å; E364-M366 VanDerWaalsContact C-N 3.33Å; E364-M366 PolarHBondContact O-N 3.13Å; M366-I370 WeakPolarHBondContact O-CB 3.42Å; M366-I370 WeakPolarHBondContact O-CD1 3.49Å; M366-I370 WeakPolarHBondContact O-CG1 3.35Å; M366-I370 PolarHBondContact O-N 3.33Å
367R96.2Very high94.1Very high102 Ų102100 Ų10039%0.38549%0.489SS..Hα-helixtrans-63.5-41.4175.3-84.8-171.9-76.3-93.8-3.7112.1Q363 E364 R365 S371Q363-R367 WeakPolarHBondContact O-CG 3.38Å; Q363-R367 PolarHBondContact O-N 3.28Å; E364-R367 PolarHBondContact O-N 3.16Å; E364-R367 IonicContact OE2-CZ 3.68Å; E364-R367 IonicContact OE2-NE 3.41Å; E364-R367 PolarHBondContact OE2-NE 3.25Å; E364-R367 IonicContact OE2-NH2 2.87Å; E364-R367 PolarHBondContact OE2-NH2 3.42Å; R365-R367 VanDerWaalsContact C-N 3.35Å; R365-R367 PolarHBondContact O-N 2.92Å; R367-S371 PolarHBondContact O-N 3.44Å; R367-S371 PolarHBondContact O-OG 2.88Å
368N95.1Very high94.4Very high84 Ų8499.2 Ų99.245%0.44949%0.485SS..Hα-helixtrans-66.5-47.8176.8-65.7-25.2000111E364 R365 I370 S371 D372E364-N368 VanDerWaalsContact O-CG 3.31Å; E364-N368 PolarHBondContact O-N 2.92Å; E364-N368 PolarHBondContact O-ND2 2.88Å; R365-N368 PolarHBondContact O-N 3.04Å; N368-I370 VanDerWaalsContact C-N 3.33Å; N368-I370 PolarHBondContact O-N 3.47Å; N368-S371 WeakPolarHBondContact O-CA 3.48Å; N368-S371 WeakPolarHBondContact O-CB 3.37Å; N368-S371 PolarHBondContact O-N 3.28Å; N368-D372 PolarHBondContact O-N 3.17Å
369E96.9Very high94.8Very high122 Ų12298 Ų9857%0.5748%0.484SS*.Hα-helixtrans-59.7-40.1176.9-173.2176.4-168.900112.4R365 S371 D372 L373R365-E369 PolarHBondContact O-N 2.92Å; E369-S371 VanDerWaalsContact C-N 3.31Å; E369-S371 PolarHBondContact O-N 2.92Å; E369-D372 PolarHBondContact O-N 3.47Å; E369-L373 HydrophobicContact CG-CD1 4.11Å; E369-L373 WeakPolarHBondContact O-CB 3.43Å; E369-L373 VanDerWaalsContact O-CG 3.23Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 3.49Å
370I94.3Very high95Very high101 Ų10196.9 Ų96.952%0.51848%0.478SS..Hα-helixtrans-64-36.7173.2-71.5165.6000111.3M366 N368 T374M366-I370 WeakPolarHBondContact O-CB 3.42Å; M366-I370 WeakPolarHBondContact O-CD1 3.49Å; M366-I370 WeakPolarHBondContact O-CG1 3.35Å; M366-I370 PolarHBondContact O-N 3.33Å; N368-I370 VanDerWaalsContact C-N 3.33Å; N368-I370 PolarHBondContact O-N 3.47Å; I370-T374 VanDerWaalsContact O-CB 3.32Å; I370-T374 WeakPolarHBondContact O-CB 3.4Å; I370-T374 PolarHBondContact O-N 2.89Å; I370-T374 PolarHBondContact O-OG1 3.32Å
371S95.7Very high95.3Very high70 Ų7098.1 Ų98.149%0.4948%0.481SS..Hα-helixtrans-69.2-47.5178-58.90000111.1R367 N368 E369 L373 T374 E375R367-S371 PolarHBondContact O-N 3.44Å; R367-S371 PolarHBondContact O-OG 2.88Å; N368-S371 WeakPolarHBondContact O-CA 3.48Å; N368-S371 WeakPolarHBondContact O-CB 3.37Å; N368-S371 PolarHBondContact O-N 3.28Å; E369-S371 VanDerWaalsContact C-N 3.31Å; E369-S371 PolarHBondContact O-N 2.92Å; S371-L373 PolarHBondContact O-N 3.01Å; S371-T374 WeakPolarHBondContact O-CB 3.38Å; S371-T374 PolarHBondContact O-N 2.74Å; S371-T374 VanDerWaalsContact O-N 3.11Å; S371-E375 PolarHBondContact O-N 2.93Å
372D96.1Very high95.5Very high108 Ų10899.5 Ų99.558%0.57848%0.483SS*.Hα-helixtrans-59.2-46.2177.2-65.1-17.6000111.3N368 E369 T374 E375 E376N368-D372 PolarHBondContact O-N 3.17Å; E369-D372 PolarHBondContact O-N 3.47Å; D372-T374 VanDerWaalsContact C-N 3.3Å; D372-T374 PolarHBondContact O-N 2.74Å; D372-E375 PolarHBondContact O-N 2.88Å; D372-E376 WeakPolarHBondContact O-CB 3.17Å; D372-E376 PolarHBondContact O-N 2.9Å
373L97.1Very high95.5Very high98 Ų98100.2 Ų100.251%0.51349%0.492SS..Hα-helixtrans-64.8-32.3175.9-71.9170.9000112.8E369 S371 L377E369-L373 HydrophobicContact CG-CD1 4.11Å; E369-L373 WeakPolarHBondContact O-CB 3.43Å; E369-L373 VanDerWaalsContact O-CG 3.23Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 3.49Å; S371-L373 PolarHBondContact O-N 3.01Å; L373-L377 VanDerWaalsContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 PolarHBondContact O-N 3.44Å
374T94.1Very high95.7Very high88 Ų88101.6 Ų101.654%0.5450%0.5SS..Hα-helixtrans-71.7-39.9176.6-59.10000111.1I370 S371 D372 H378I370-T374 VanDerWaalsContact O-CB 3.32Å; I370-T374 WeakPolarHBondContact O-CB 3.4Å; I370-T374 PolarHBondContact O-N 2.89Å; I370-T374 PolarHBondContact O-OG1 3.32Å; S371-T374 WeakPolarHBondContact O-CB 3.38Å; S371-T374 PolarHBondContact O-N 2.74Å; S371-T374 VanDerWaalsContact O-N 3.11Å; D372-T374 VanDerWaalsContact C-N 3.3Å; D372-T374 PolarHBondContact O-N 2.74Å; T374-H378 PolarHBondContact O-N 3.15Å
375E95.3Very high95.6Very high145 Ų145100.2 Ų100.268%0.67851%0.505SS*.Hα-helixtrans-67.4-43.5174.5-173.7168.8-169.600111.5S371 D372 L377 H378 Q379S371-E375 PolarHBondContact O-N 2.93Å; D372-E375 PolarHBondContact O-N 2.88Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.41Å; E375-H378 PolarHBondContact O-N 2.99Å; E375-Q379 WeakPolarHBondContact O-CB 3.46Å; E375-Q379 PolarHBondContact O-N 3.14Å
376E96.6Very high95.6Very high99 Ų9997.1 Ų97.146%0.46350%0.501SS..Hα-helixtrans-62.3-39.7176.3-157.8-152.8173.800111.9D372 Q379 K380D372-E376 WeakPolarHBondContact O-CB 3.17Å; D372-E376 PolarHBondContact O-N 2.9Å; E376-Q379 PolarHBondContact O-N 3.36Å; E376-K380 VanDerWaalsContact CD-CE 3.49Å; E376-K380 WeakPolarHBondContact O-CG 3.38Å; E376-K380 PolarHBondContact O-N 2.88Å; E376-K380 WeakPolarHBondContact OE1-CE 3.49Å; E376-K380 IonicContact OE1-NZ 2.74Å; E376-K380 PolarHBondContact OE1-NZ 3.29Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 3.41Å
377L96.4Very high95.5Very high100 Ų10096 Ų9652%0.52450%0.5SS..Hα-helixtrans-60.9-48.1173.9179.263000111.1L373 E375 Q379 K380 E381L373-L377 VanDerWaalsContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 PolarHBondContact O-N 3.44Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.41Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 2.9Å; L377-K380 WeakPolarHBondContact O-CB 3.35Å; L377-K380 PolarHBondContact O-N 2.91Å; L377-K380 VanDerWaalsContact O-N 3.15Å; L377-E381 WeakPolarHBondContact O-CG 3.44Å; L377-E381 PolarHBondContact O-N 2.9Å
378H96.5Very high95.3Very high107 Ų10795.2 Ų95.250%0.49551%0.507SS..Hα-helixtrans-62.6-40179-169.352000112.2T374 E375 K380 E381 I382T374-H378 PolarHBondContact O-N 3.15Å; E375-H378 PolarHBondContact O-N 2.99Å; H378-K380 VanDerWaalsContact C-N 3.32Å; H378-K380 PolarHBondContact O-N 2.82Å; H378-E381 IonicContact ND1-OE2 3.79Å; H378-E381 PolarHBondContact ND1-OE2 2.98Å; H378-E381 WeakPolarHBondContact O-CB 3.27Å; H378-E381 PolarHBondContact O-N 2.98Å; H378-I382 WeakPolarHBondContact O-CG1 3.44Å; H378-I382 PolarHBondContact O-N 2.91Å
379Q96Very high95.3Very high113 Ų11398.6 Ų98.653%0.52852%0.517SS..Hα-helixtrans-65.3-35175.5-172.658.526.600112.3E375 E376 L377 T383E375-Q379 WeakPolarHBondContact O-CB 3.46Å; E375-Q379 PolarHBondContact O-N 3.14Å; E376-Q379 PolarHBondContact O-N 3.36Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 2.9Å; Q379-T383 WeakPolarHBondContact O-CB 3.34Å; Q379-T383 PolarHBondContact O-N 2.97Å; Q379-T383 PolarHBondContact O-OG1 2.89Å
380K96.9Very high95.2Very high99 Ų9999.2 Ų99.243%0.4352%0.518SS..Hα-helixtrans-65.7-42.8171-74.4166.3-176.9163.80111.5E376 L377 H378 T383 I384E376-K380 VanDerWaalsContact CD-CE 3.49Å; E376-K380 WeakPolarHBondContact O-CG 3.38Å; E376-K380 PolarHBondContact O-N 2.88Å; E376-K380 WeakPolarHBondContact OE1-CE 3.49Å; E376-K380 IonicContact OE1-NZ 2.74Å; E376-K380 PolarHBondContact OE1-NZ 3.29Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 3.41Å; L377-K380 WeakPolarHBondContact O-CB 3.35Å; L377-K380 PolarHBondContact O-N 2.91Å; L377-K380 VanDerWaalsContact O-N 3.15Å; H378-K380 VanDerWaalsContact C-N 3.32Å; H378-K380 PolarHBondContact O-N 2.82Å; K380-T383 WeakPolarHBondContact O-CB 3.45Å; K380-T383 PolarHBondContact O-N 2.84Å; K380-I384 WeakPolarHBondContact O-CB 3.39Å; K380-I384 VanDerWaalsContact O-CG1 3.27Å; K380-I384 WeakPolarHBondContact O-CG1 3.25Å; K380-I384 PolarHBondContact O-N 3.46Å
381E94.6Very high94.8Very high106 Ų10697 Ų9750%0.49552%0.515SS..Hα-helixtrans-59.6-46.6175.4-69.8177.3153.600112.3L377 H378 T383 I384 A385L377-E381 WeakPolarHBondContact O-CG 3.44Å; L377-E381 PolarHBondContact O-N 2.9Å; H378-E381 IonicContact ND1-OE2 3.79Å; H378-E381 PolarHBondContact ND1-OE2 2.98Å; H378-E381 WeakPolarHBondContact O-CB 3.27Å; H378-E381 PolarHBondContact O-N 2.98Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.44Å; E381-I384 PolarHBondContact O-N 3.31Å; E381-A385 WeakPolarHBondContact O-CB 3.34Å; E381-A385 PolarHBondContact O-N 3.49Å
382I96.4Very high94.6Very high75 Ų7596.2 Ų96.239%0.38551%0.513SS..Hα-helixtrans-59.2-42.2175.2-67.6166.4000110.9H378 T386H378-I382 WeakPolarHBondContact O-CG1 3.44Å; H378-I382 PolarHBondContact O-N 2.91Å; I382-T386 WeakPolarHBondContact O-CB 3.49Å; I382-T386 PolarHBondContact O-N 3.19Å; I382-T386 PolarHBondContact O-OG1 2.91Å
383T95.3Very high94.6Very high70 Ų7096.4 Ų96.443%0.42951%0.513SS..Hα-helixtrans-65.2-46.7178.7-580000111Q379 K380 E381 T386 V387Q379-T383 WeakPolarHBondContact O-CB 3.34Å; Q379-T383 PolarHBondContact O-N 2.97Å; Q379-T383 PolarHBondContact O-OG1 2.89Å; K380-T383 WeakPolarHBondContact O-CB 3.45Å; K380-T383 PolarHBondContact O-N 2.84Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.44Å; T383-T386 PolarHBondContact O-N 2.82Å; T383-V387 WeakPolarHBondContact O-CG2 3.49Å; T383-V387 PolarHBondContact O-N 2.84Å
384I95.7Very high94.5Very high109 Ų10996.6 Ų96.656%0.55951%0.514SS*.Hα-helixtrans-59.2-50.5176-70.1163.6000110.2K380 E381 T386 V387 T388K380-I384 WeakPolarHBondContact O-CB 3.39Å; K380-I384 VanDerWaalsContact O-CG1 3.27Å; K380-I384 WeakPolarHBondContact O-CG1 3.25Å; K380-I384 PolarHBondContact O-N 3.46Å; E381-I384 PolarHBondContact O-N 3.31Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 PolarHBondContact O-N 3.29Å; I384-V387 PolarHBondContact O-N 2.9Å; I384-V387 VanDerWaalsContact O-N 3.14Å; I384-T388 WeakPolarHBondContact O-CB 3.45Å; I384-T388 PolarHBondContact O-N 2.97Å; I384-T388 PolarHBondContact O-OG1 3.44Å
385A92.4Very high94.3Very high62 Ų6299 Ų9951%0.51252%0.519SS..Hα-helixtrans-57.4-39.1178.200000112.5E381 K389E381-A385 WeakPolarHBondContact O-CB 3.34Å; E381-A385 PolarHBondContact O-N 3.49Å; A385-K389 WeakPolarHBondContact O-CB 3.27Å; A385-K389 PolarHBondContact O-N 3.48Å
386T94.4Very high94.2Very high70 Ų7098.7 Ų98.743%0.42952%0.516SS..Hα-helixtrans-67.9-43.3177-59.10000112.1I382 T383 I384 K389 K390I382-T386 WeakPolarHBondContact O-CB 3.49Å; I382-T386 PolarHBondContact O-N 3.19Å; I382-T386 PolarHBondContact O-OG1 2.91Å; T383-T386 PolarHBondContact O-N 2.82Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 PolarHBondContact O-N 3.29Å; T386-K389 PolarHBondContact O-N 3.03Å; T386-K390 WeakPolarHBondContact O-CG 3.33Å; T386-K390 PolarHBondContact O-N 2.99Å; T386-K390 VanDerWaalsContact O-N 3.11Å
387V94.2Very high94.1Very high88 Ų8898.6 Ų98.653%0.53352%0.515SS..Hα-helixtrans-66.1-46176.9171.60000110.7T383 I384 K389 K390 A391T383-V387 WeakPolarHBondContact O-CG2 3.49Å; T383-V387 PolarHBondContact O-N 2.84Å; I384-V387 PolarHBondContact O-N 2.9Å; I384-V387 VanDerWaalsContact O-N 3.14Å; V387-K389 VanDerWaalsContact C-N 3.32Å; V387-K389 PolarHBondContact O-N 2.88Å; V387-K390 PolarHBondContact O-N 2.83Å; V387-K390 VanDerWaalsContact O-N 3.11Å; V387-A391 PolarHBondContact O-N 3.44Å
388T92Very high93.9Very high86 Ų8698.7 Ų98.753%0.52852%0.516SS..Hα-helixtrans-58.6-42.4176.3-58.30000111.7I384 K390 A391 A392I384-T388 WeakPolarHBondContact O-CB 3.45Å; I384-T388 PolarHBondContact O-N 2.97Å; I384-T388 PolarHBondContact O-OG1 3.44Å; T388-K390 PolarHBondContact O-N 3.15Å; T388-A391 PolarHBondContact O-N 3.16Å; T388-A392 PolarHBondContact O-N 2.7Å
389K94.9Very high93.8Very high154 Ų154101.1 Ų101.167%0.6753%0.525SS*.Hα-helixtrans-63.3-39.1175.3-174.2174.8179.91780112.5A385 T386 V387 L393A385-K389 WeakPolarHBondContact O-CB 3.27Å; A385-K389 PolarHBondContact O-N 3.48Å; T386-K389 PolarHBondContact O-N 3.03Å; V387-K389 VanDerWaalsContact C-N 3.32Å; V387-K389 PolarHBondContact O-N 2.88Å; K389-L393 WeakPolarHBondContact O-CG 3.45Å; K389-L393 PolarHBondContact O-N 3.27Å
390K94.4Very high93.6Very high136 Ų136100.3 Ų100.359%0.59152%0.522SS*.Hα-helixtrans-67.4-42.3174.5-73.3177.9179.1-179.90111.9T386 V387 T388 L393 L394T386-K390 WeakPolarHBondContact O-CG 3.33Å; T386-K390 PolarHBondContact O-N 2.99Å; T386-K390 VanDerWaalsContact O-N 3.11Å; V387-K390 PolarHBondContact O-N 2.83Å; V387-K390 VanDerWaalsContact O-N 3.11Å; T388-K390 PolarHBondContact O-N 3.15Å; K390-L393 PolarHBondContact O-N 2.96Å; K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å
391A86.4Confident93.3Very high53 Ų5399.3 Ų99.344%0.43852%0.519SS..Hα-helixtrans-59.9-47.2177.400000111.7V387 T388 L393 L394 E395V387-A391 PolarHBondContact O-N 3.44Å; T388-A391 PolarHBondContact O-N 3.16Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 3.29Å; A391-L394 PolarHBondContact O-N 2.96Å; A391-L394 VanDerWaalsContact O-N 3.16Å; A391-E395 WeakPolarHBondContact O-CB 3.28Å; A391-E395 PolarHBondContact O-N 2.65Å
392A91.2Very high93.2Very high54 Ų5499.3 Ų99.345%0.44652%0.522SS..Hα-helixtrans-62-32.4177.600000113.5T388 K396T388-A392 PolarHBondContact O-N 2.7Å; A392-K396 WeakPolarHBondContact O-CB 3.46Å; A392-K396 PolarHBondContact O-N 3.42Å; A392-K396 VanDerWaalsContact O-N 3.14Å
393L95.1Very high93.1Very high112 Ų112100.2 Ų100.259%0.58652%0.524SS*.Hα-helixtrans-69.5-43.3173.8-72.3169.7000111.9K389 K390 A391 K396 Q397K389-L393 WeakPolarHBondContact O-CG 3.45Å; K389-L393 PolarHBondContact O-N 3.27Å; K390-L393 PolarHBondContact O-N 2.96Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 3.29Å; L393-K396 PolarHBondContact O-N 3Å; L393-Q397 PolarHBondContact O-N 3.37Å
394L94.9Very high93.1Very high103 Ų103101.4 Ų101.454%0.53953%0.527SS..Hα-helixtrans-66.1-40.5176.6-69.9171.5000111.9K390 A391 K396 Q397 L398K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å; A391-L394 PolarHBondContact O-N 2.96Å; A391-L394 VanDerWaalsContact O-N 3.16Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.44Å; L394-Q397 PolarHBondContact O-N 2.78Å; L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 2.97Å
395E90.9Very high92.9Very high139 Ų139102.3 Ų102.365%0.6553%0.527SS*.Hα-helixtrans-59.4-45174.3-171.7-173.7169.700111.3A391 Q397 L398 K399A391-E395 WeakPolarHBondContact O-CB 3.28Å; A391-E395 PolarHBondContact O-N 2.65Å; E395-Q397 VanDerWaalsContact C-N 3.34Å; E395-Q397 PolarHBondContact O-N 3.42Å; E395-L398 PolarHBondContact O-N 3.29Å; E395-K399 WeakPolarHBondContact O-CB 3.22Å; E395-K399 PolarHBondContact O-N 3.46Å
396K93.1Very high92.8Very high137 Ų137105.8 Ų105.860%0.59653%0.533SS*.Hα-helixtrans-62.5-39.3175-173.3178.5178.6-177.80112.3A392 L393 L394 M400A392-K396 WeakPolarHBondContact O-CB 3.46Å; A392-K396 PolarHBondContact O-N 3.42Å; A392-K396 VanDerWaalsContact O-N 3.14Å; L393-K396 PolarHBondContact O-N 3Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.44Å; K396-M400 WeakPolarHBondContact O-CG 3.29Å; K396-M400 PolarHBondContact O-N 3.24Å
397Q93.6Very high92.8Very high97 Ų97107.9 Ų107.945%0.45354%0.536SS..Hα-helixtrans-63.7-52175.7-178.6-178.6-24.700111.4L393 L394 E395 K399 M400 E401L393-Q397 PolarHBondContact O-N 3.37Å; L394-Q397 PolarHBondContact O-N 2.78Å; E395-Q397 VanDerWaalsContact C-N 3.34Å; E395-Q397 PolarHBondContact O-N 3.42Å; Q397-K399 VanDerWaalsContact C-N 3.25Å; Q397-K399 PolarHBondContact O-N 2.95Å; Q397-M400 PolarHBondContact O-N 2.83Å; Q397-M400 VanDerWaalsContact O-N 3.07Å; Q397-E401 PolarHBondContact NE2-OE1 3.26Å; Q397-E401 PolarHBondContact O-N 3.49Å
398L92.9Very high92.8Very high103 Ų103109 Ų10954%0.53954%0.537SS..Hα-helixtrans-57.3-39.2178.8-73.5169.3000111.9L394 E395 M400 E401 L402L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 2.97Å; E395-L398 PolarHBondContact O-N 3.29Å; L398-M400 PolarHBondContact O-N 3.12Å; L398-E401 PolarHBondContact O-N 3.48Å; L398-L402 WeakPolarHBondContact O-CB 3.5Å; L398-L402 WeakPolarHBondContact O-CG 3.25Å; L398-L402 PolarHBondContact O-N 3.3Å
399K93.5Very high92.8Very high158 Ų158109.8 Ų109.869%0.68754%0.537SS*.Hα-helixtrans-62.6-40.2176.4-169.3169.4-175170.40112.8E395 Q397 E403E395-K399 WeakPolarHBondContact O-CB 3.22Å; E395-K399 PolarHBondContact O-N 3.46Å; Q397-K399 VanDerWaalsContact C-N 3.25Å; Q397-K399 PolarHBondContact O-N 2.95Å; K399-E403 PolarHBondContact O-N 2.87Å; K399-E403 VanDerWaalsContact O-N 3.08Å
400M92Very high92.7Very high96 Ų96104.9 Ų104.947%0.47353%0.526SS..Hα-helixtrans-69.7-39.6174.8-67.5-176.1-59.900112K396 Q397 L398 L402 E403 I404K396-M400 WeakPolarHBondContact O-CG 3.29Å; K396-M400 PolarHBondContact O-N 3.24Å; Q397-M400 PolarHBondContact O-N 2.83Å; Q397-M400 VanDerWaalsContact O-N 3.07Å; L398-M400 PolarHBondContact O-N 3.12Å; M400-L402 VanDerWaalsContact C-N 3.34Å; M400-L402 PolarHBondContact O-N 2.99Å; M400-E403 PolarHBondContact O-N 3.05Å; M400-I404 VanDerWaalsContact O-CG1 3.27Å; M400-I404 WeakPolarHBondContact O-CG1 3.48Å; M400-I404 PolarHBondContact O-N 3.18Å
401E92Very high92.6Very high77 Ų77106 Ų10636%0.3653%0.531SS..Hα-helixtrans-63.5-38.8175.5-73.4-177.5-153.400112.4Q397 L398 I404 K405Q397-E401 PolarHBondContact NE2-OE1 3.26Å; Q397-E401 PolarHBondContact O-N 3.49Å; L398-E401 PolarHBondContact O-N 3.48Å; E401-I404 PolarHBondContact O-N 3Å; E401-K405 WeakPolarHBondContact O-CG 3.43Å; E401-K405 PolarHBondContact O-N 3.48Å
402L91.7Very high92.9Very high106 Ų106108.6 Ų108.656%0.55553%0.533SS*.Hα-helixtrans-62.7-48.8172.7-75169.9000111.5L398 M400 I404 K405 E406L398-L402 WeakPolarHBondContact O-CB 3.5Å; L398-L402 WeakPolarHBondContact O-CG 3.25Å; L398-L402 PolarHBondContact O-N 3.3Å; M400-L402 VanDerWaalsContact C-N 3.34Å; M400-L402 PolarHBondContact O-N 2.99Å; L402-I404 VanDerWaalsContact C-N 3.28Å; L402-I404 PolarHBondContact O-N 3Å; L402-K405 PolarHBondContact O-N 3.37Å; L402-K405 VanDerWaalsContact O-N 3.09Å; L402-E406 WeakPolarHBondContact O-CG 3.48Å; L402-E406 PolarHBondContact O-N 3.25Å
403E94.5Very high92.9Very high94 Ų94112 Ų11244%0.43954%0.538SS..Hα-helixtrans-59.8-37.5177.8-168.5-170.7160.900112.1K399 M400 K407K399-E403 PolarHBondContact O-N 2.87Å; K399-E403 VanDerWaalsContact O-N 3.08Å; M400-E403 PolarHBondContact O-N 3.05Å; E403-K407 HydrophobicContact CG-CD 4.48Å; E403-K407 WeakPolarHBondContact O-CB 3.45Å; E403-K407 VanDerWaalsContact O-CG 3.29Å; E403-K407 WeakPolarHBondContact O-CG 3.28Å; E403-K407 PolarHBondContact O-N 3.47Å; E403-K407 VanDerWaalsContact OE1-CE 3.25Å; E403-K407 WeakPolarHBondContact OE1-CE 3.45Å; E403-K407 IonicContact OE1-NZ 3.02Å; E403-K407 PolarHBondContact OE1-NZ 2.65Å
404I94.3Very high92.8Very high96 Ų96110.5 Ų110.549%0.49253%0.534SS..Hα-helixtrans-65.9-45.6174-69.2164.8000110.7M400 E401 L402 K407 M408M400-I404 VanDerWaalsContact O-CG1 3.27Å; M400-I404 WeakPolarHBondContact O-CG1 3.48Å; M400-I404 PolarHBondContact O-N 3.18Å; E401-I404 PolarHBondContact O-N 3Å; L402-I404 VanDerWaalsContact C-N 3.28Å; L402-I404 PolarHBondContact O-N 3Å; I404-K407 PolarHBondContact O-N 3.01Å; I404-M408 HydrophobicContact CG2-CE 4.24Å; I404-M408 WeakPolarHBondContact O-CG 3.44Å; I404-M408 PolarHBondContact O-N 3.44Å
405K93.2Very high92.5Very high127 Ų127108.8 Ų108.855%0.55253%0.53SS*.Hα-helixtrans-62.8-40.8177.2-76.1176.6179.9175.30112.2E401 L402 M408 L409E401-K405 WeakPolarHBondContact O-CG 3.43Å; E401-K405 PolarHBondContact O-N 3.48Å; L402-K405 PolarHBondContact O-N 3.37Å; L402-K405 VanDerWaalsContact O-N 3.09Å; K405-M408 HydrophobicContact CG-CE 4.16Å; K405-M408 PolarHBondContact O-N 3.15Å; K405-L409 WeakPolarHBondContact O-CB 3.43Å; K405-L409 PolarHBondContact O-N 2.93Å
406E90.5Very high92.6Very high135 Ų135105.3 Ų105.363%0.63152%0.516SS*.Hα-helixtrans-61.3-45.1173.9-73.4179.9165.600111.8L402 M408 L409 A410L402-E406 WeakPolarHBondContact O-CG 3.48Å; L402-E406 PolarHBondContact O-N 3.25Å; E406-M408 VanDerWaalsContact C-N 3.34Å; E406-M408 PolarHBondContact O-N 2.69Å; E406-L409 PolarHBondContact O-N 3.5Å; E406-A410 WeakPolarHBondContact O-CB 3.32Å; E406-A410 PolarHBondContact O-N 3.12Å
407K93.6Very high92.5Very high115 Ų115105.3 Ų105.350%0.552%0.519SS..Hα-helixtrans-62.1-38.5174.9-74.2169.6-174.4170.70112.5E403 I404 K411E403-K407 HydrophobicContact CG-CD 4.48Å; E403-K407 WeakPolarHBondContact O-CB 3.45Å; E403-K407 VanDerWaalsContact O-CG 3.29Å; E403-K407 WeakPolarHBondContact O-CG 3.28Å; E403-K407 PolarHBondContact O-N 3.47Å; E403-K407 VanDerWaalsContact OE1-CE 3.25Å; E403-K407 WeakPolarHBondContact OE1-CE 3.45Å; E403-K407 IonicContact OE1-NZ 3.02Å; E403-K407 PolarHBondContact OE1-NZ 2.65Å; I404-K407 PolarHBondContact O-N 3.01Å; K407-K411 WeakPolarHBondContact O-CG 3.31Å; K407-K411 PolarHBondContact O-N 3.45Å; K407-K411 VanDerWaalsContact O-N 3.13Å
408M93.3Very high92.3Very high112 Ų112107.4 Ų107.455%0.55253%0.527SS*.Hα-helixtrans-67.3-43.6174.3-70-167.1-60.400111.9I404 K405 E406 A410 K411 Q412I404-M408 HydrophobicContact CG2-CE 4.24Å; I404-M408 WeakPolarHBondContact O-CG 3.44Å; I404-M408 PolarHBondContact O-N 3.44Å; K405-M408 HydrophobicContact CG-CE 4.16Å; K405-M408 PolarHBondContact O-N 3.15Å; E406-M408 VanDerWaalsContact C-N 3.34Å; E406-M408 PolarHBondContact O-N 2.69Å; M408-A410 VanDerWaalsContact C-N 3.33Å; M408-A410 PolarHBondContact O-N 2.92Å; M408-K411 WeakPolarHBondContact O-CB 3.36Å; M408-K411 PolarHBondContact O-N 3.25Å; M408-K411 VanDerWaalsContact O-N 3.17Å; M408-Q412 PolarHBondContact O-N 3.29Å
409L93.2Very high92.3Very high101 Ų101105.9 Ų105.953%0.52952%0.515SS..Hα-helixtrans-66-34.7178.7-171.3145.5000112.2K405 E406 Q412 K413K405-L409 WeakPolarHBondContact O-CB 3.43Å; K405-L409 PolarHBondContact O-N 2.93Å; E406-L409 PolarHBondContact O-N 3.5Å; L409-Q412 PolarHBondContact O-N 3.47Å; L409-K413 HydrophobicContact CD2-CD 3.97Å; L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3Å
410A92.3Very high92.2Very high52 Ų52103.6 Ų103.643%0.4351%0.505SS..Hα-helixtrans-64.4-43.9170.500000112.1E406 M408 K413 V414E406-A410 WeakPolarHBondContact O-CB 3.32Å; E406-A410 PolarHBondContact O-N 3.12Å; M408-A410 VanDerWaalsContact C-N 3.33Å; M408-A410 PolarHBondContact O-N 2.92Å; A410-K413 PolarHBondContact O-N 3.48Å; A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 2.87Å; A410-V414 VanDerWaalsContact O-N 3.12Å
411K92.7Very high92.1Very high160 Ų160101.5 Ų101.570%0.69650%0.503SS*.Hα-helixtrans-61.2-43.3174-73.7177.3179-173.90111.9K407 M408 V414 S415K407-K411 WeakPolarHBondContact O-CG 3.31Å; K407-K411 PolarHBondContact O-N 3.45Å; K407-K411 VanDerWaalsContact O-N 3.13Å; M408-K411 WeakPolarHBondContact O-CB 3.36Å; M408-K411 PolarHBondContact O-N 3.25Å; M408-K411 VanDerWaalsContact O-N 3.17Å; K411-V414 PolarHBondContact O-N 3.48Å; K411-S415 PolarHBondContact O-N 3.36Å
412Q92.6Very high92Very high106 Ų106100.6 Ų100.650%0.49550%0.503SS..Hα-helixtrans-59.1-50.9176.9-173.862.236.900110.9M408 L409 V414 S415 D416M408-Q412 PolarHBondContact O-N 3.29Å; L409-Q412 PolarHBondContact O-N 3.47Å; Q412-V414 VanDerWaalsContact C-N 3.29Å; Q412-V414 PolarHBondContact O-N 3.01Å; Q412-S415 CarbonylContact O-C 3.59Å; Q412-S415 WeakPolarHBondContact O-CA 3.33Å; Q412-S415 VanDerWaalsContact O-CB 3.32Å; Q412-S415 WeakPolarHBondContact O-CB 3.41Å; Q412-S415 PolarHBondContact O-N 3.45Å; Q412-D416 PolarHBondContact NE2-OD1 3.49Å; Q412-D416 VanDerWaalsContact O-CG 3.26Å; Q412-D416 PolarHBondContact O-N 3.22Å
413K91.3Very high92Very high127 Ų12797.6 Ų97.655%0.55248%0.484SS*.Hα-helixtrans-55.6-41.1177-76.4177173.91750112.9L409 A410 D416 M417L409-K413 HydrophobicContact CD2-CD 3.97Å; L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3Å; A410-K413 PolarHBondContact O-N 3.48Å; K413-D416 PolarHBondContact O-N 2.98Å; K413-M417 WeakPolarHBondContact O-CB 3.46Å; K413-M417 VanDerWaalsContact O-CG 3.26Å; K413-M417 WeakPolarHBondContact O-CG 3.44Å; K413-M417 PolarHBondContact O-N 3.37Å
414V93.2Very high91.7Very high80 Ų8097.5 Ų97.549%0.48549%0.49SS..Hα-helixtrans-66-38175.4172.10000111.5A410 K411 Q412 K418A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 2.87Å; A410-V414 VanDerWaalsContact O-N 3.12Å; K411-V414 PolarHBondContact O-N 3.48Å; Q412-V414 VanDerWaalsContact C-N 3.29Å; Q412-V414 PolarHBondContact O-N 3.01Å; V414-K418 WeakPolarHBondContact O-CG 3.39Å; V414-K418 PolarHBondContact O-N 3.42Å
415S88Confident91.3Very high66 Ų6698.7 Ų98.746%0.46249%0.493SS..Hα-helixtrans-65.1-46.2174.2-164.30000111.8K411 Q412 M417 K418 Y419K411-S415 PolarHBondContact O-N 3.36Å; Q412-S415 CarbonylContact O-C 3.59Å; Q412-S415 WeakPolarHBondContact O-CA 3.33Å; Q412-S415 VanDerWaalsContact O-CB 3.32Å; Q412-S415 WeakPolarHBondContact O-CB 3.41Å; Q412-S415 PolarHBondContact O-N 3.45Å; S415-M417 VanDerWaalsContact C-N 3.32Å; S415-M417 PolarHBondContact O-N 3.22Å; S415-K418 WeakPolarHBondContact O-CB 3.35Å; S415-K418 PolarHBondContact O-N 3.19Å; S415-Y419 WeakPolarHBondContact O-CB 3.5Å; S415-Y419 PolarHBondContact O-N 2.97Å
416D92.6Very high90.8Very high66 Ų6696.3 Ų96.335%0.35349%0.486SS..Hα-helixtrans-62.5-39.3178.2-60-23.3000111.4Q412 K413 Y419 K420Q412-D416 PolarHBondContact NE2-OD1 3.49Å; Q412-D416 VanDerWaalsContact O-CG 3.26Å; Q412-D416 PolarHBondContact O-N 3.22Å; K413-D416 PolarHBondContact O-N 2.98Å; D416-Y419 PolarHBondContact O-N 3.42Å; D416-K420 WeakPolarHBondContact O-CB 3.32Å; D416-K420 WeakPolarHBondContact O-CG 3.41Å; D416-K420 PolarHBondContact O-N 3.06Å
417M91.6Very high90.4Very high137 Ų13794.2 Ų94.268%0.67548%0.483SS*.Hα-helixtrans-64.1-43.6173.6-7517770.300112.1K413 S415 K420 A421K413-M417 WeakPolarHBondContact O-CB 3.46Å; K413-M417 VanDerWaalsContact O-CG 3.26Å; K413-M417 WeakPolarHBondContact O-CG 3.44Å; K413-M417 PolarHBondContact O-N 3.37Å; S415-M417 VanDerWaalsContact C-N 3.32Å; S415-M417 PolarHBondContact O-N 3.22Å; M417-K420 PolarHBondContact O-N 2.97Å; M417-A421 WeakPolarHBondContact O-CB 3.47Å; M417-A421 PolarHBondContact O-N 3.14Å
418K89.8Confident89.7Confident142 Ų14292.9 Ų92.962%0.61748%0.478SS*.Hα-helixtrans-62.6-44.3174.6-75.5177.3177.9-173.50111.6V414 S415 A421 V422V414-K418 WeakPolarHBondContact O-CG 3.39Å; V414-K418 PolarHBondContact O-N 3.42Å; S415-K418 WeakPolarHBondContact O-CB 3.35Å; S415-K418 PolarHBondContact O-N 3.19Å; K418-A421 PolarHBondContact O-N 2.93Å; K418-V422 WeakPolarHBondContact O-CG2 3.37Å; K418-V422 PolarHBondContact O-N 2.57Å
419Y91.5Very high89.2Confident70 Ų7091.6 Ų91.628%0.27547%0.473SS..Hα-helixtrans-61.8-45.9177.5177.1-107.9000111.6S415 D416 A421 V422 R423 L537 S539S415-Y419 WeakPolarHBondContact O-CB 3.5Å; S415-Y419 PolarHBondContact O-N 2.97Å; D416-Y419 PolarHBondContact O-N 3.42Å; Y419-A421 PolarHBondContact O-N 3.01Å; Y419-V422 PolarHBondContact O-N 2.91Å; Y419-R423 PolarHBondContact O-N 3.03Å; Y419-R423 PolarHBondContact OH-NH2 3.34Å; Y419-R423 VanDerWaalsContact OH-NH2 3.09Å; Y419-L537 HydrophobicContact CD2-CD1 4.16Å; Y419-L537 HydrophobicContact CE2-CD1 3.75Å; Y419-L537 HydrophobicContact CE2-CG 4.43Å; Y419-S539 PolarHBondContact OH-N 3.39Å; Y419-S539 PolarHBondContact OH-O 3.47Å
420K92.2Very high88.6Confident111 Ų11194 Ų9448%0.48348%0.48SS..Hα-helixtrans-60.7-42174.2-75.5179.8177.9-1740112.4D416 M417 R423 T424D416-K420 WeakPolarHBondContact O-CB 3.32Å; D416-K420 WeakPolarHBondContact O-CG 3.41Å; D416-K420 PolarHBondContact O-N 3.06Å; M417-K420 PolarHBondContact O-N 2.97Å; K420-R423 PolarHBondContact O-N 3.36Å; K420-T424 WeakPolarHBondContact O-CG2 3.4Å; K420-T424 PolarHBondContact O-N 3.11Å; K420-T424 PolarHBondContact O-OG1 3.47Å
421A90.1Very high87.9Confident52 Ų5294.2 Ų94.243%0.4349%0.487SS..Hα-helixtrans-60-49.5175.300000111.6M417 K418 Y419 R423 T424 E425M417-A421 WeakPolarHBondContact O-CB 3.47Å; M417-A421 PolarHBondContact O-N 3.14Å; K418-A421 PolarHBondContact O-N 2.93Å; Y419-A421 PolarHBondContact O-N 3.01Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 3.34Å; A421-T424 WeakPolarHBondContact CA-OG1 3.44Å; A421-T424 PolarHBondContact O-N 3.44Å; A421-T424 PolarHBondContact O-OG1 2.99Å; A421-E425 WeakPolarHBondContact O-CB 3.44Å; A421-E425 PolarHBondContact O-N 3.44Å
422V90.1Very high86.9Confident58 Ų5893.3 Ų93.335%0.35249%0.487SS..Hα-helixtrans-62.9-35.8176.7170.90000112.1K418 Y419 N426 L537K418-V422 WeakPolarHBondContact O-CG2 3.37Å; K418-V422 PolarHBondContact O-N 2.57Å; Y419-V422 PolarHBondContact O-N 2.91Å; V422-N426 WeakPolarHBondContact O-CB 3.33Å; V422-N426 PolarHBondContact O-N 3.31Å; V422-N426 PolarHBondContact O-ND2 3.47Å; V422-L537 HydrophobicContact CG1-CD1 4.41Å
423R92.2Very high85.7Confident42 Ų4294.1 Ų94.116%0.15849%0.492CS..Hα-helixtrans-63.7-51.2171.9-175.7-172.6-82.5151.7-7.8110.4Y419 K420 A421 E425 N426 T427 S539 D540 D541Y419-R423 PolarHBondContact O-N 3.03Å; Y419-R423 PolarHBondContact OH-NH2 3.34Å; Y419-R423 VanDerWaalsContact OH-NH2 3.09Å; K420-R423 PolarHBondContact O-N 3.36Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 3.34Å; R423-E425 VanDerWaalsContact C-N 3.25Å; R423-E425 PolarHBondContact O-N 3.41Å; R423-N426 CarbonylContact O-C 3.57Å; R423-N426 PolarHBondContact O-N 2.92Å; R423-N426 VanDerWaalsContact O-N 3.09Å; R423-T427 PolarHBondContact O-N 2.84Å; R423-T427 PolarHBondContact O-OG1 3.36Å; R423-S539 PolarHBondContact NH2-O 3.37Å; R423-D540 IonicContact CZ-OD1 2.75Å; R423-D540 IonicContact NE-OD1 3.56Å; R423-D540 PolarHBondContact NE-OD1 3.11Å; R423-D540 IonicContact NH2-OD1 3.32Å; R423-D541 IonicContact CZ-OD1 2.66Å; R423-D541 IonicContact CZ-OD2 2.84Å; R423-D541 VanDerWaalsContact CZ-OD2 3.3Å; R423-D541 IonicContact NH1-OD1 3.35Å; R423-D541 PolarHBondContact NH1-OD1 3.49Å; R423-D541 IonicContact NH1-OD2 3.94Å; R423-D541 PolarHBondContact NH1-OD2 3.27Å; R423-D541 IonicContact NH2-OD1 2.8Å; R423-D541 PolarHBondContact NH2-OD1 3.26Å; R423-D541 IonicContact NH2-OD2 3.69Å
424T87.3Confident83.9Confident93 Ų9390.1 Ų90.157%0.57149%0.487SS*.Hα-helixtrans-62.1-33.2179.452.60000112.9K420 A421 H428K420-T424 WeakPolarHBondContact O-CG2 3.4Å; K420-T424 PolarHBondContact O-N 3.11Å; K420-T424 PolarHBondContact O-OG1 3.47Å; A421-T424 WeakPolarHBondContact CA-OG1 3.44Å; A421-T424 PolarHBondContact O-N 3.44Å; A421-T424 PolarHBondContact O-OG1 2.99Å; T424-H428 VanDerWaalsContact O-CB 3.27Å; T424-H428 WeakPolarHBondContact O-CB 3.17Å; T424-H428 PolarHBondContact O-N 3.44Å
425E86.9Confident82Confident120 Ų12094.9 Ų94.956%0.56151%0.509SS*.Hα-helixtrans-67.6-45172.2-174.7172.4-160.600111.3A421 R423 T427 H428 L429A421-E425 WeakPolarHBondContact O-CB 3.44Å; A421-E425 PolarHBondContact O-N 3.44Å; R423-E425 VanDerWaalsContact C-N 3.25Å; R423-E425 PolarHBondContact O-N 3.41Å; E425-T427 PolarHBondContact O-N 3.18Å; E425-H428 PolarHBondContact O-N 3.04Å; E425-L429 HydrophobicContact CG-CD1 4.13Å; E425-L429 WeakPolarHBondContact O-CB 3.13Å; E425-L429 VanDerWaalsContact O-CG 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.43Å; E425-L429 PolarHBondContact O-N 3.4Å
426N81.6Confident80.3Confident77 Ų7796.6 Ų96.641%0.41251%0.513SS..Hα-helixtrans-61.6-41172.8-86.9-72.7000112.7V422 R423 H428 L429 K430V422-N426 WeakPolarHBondContact O-CB 3.33Å; V422-N426 PolarHBondContact O-N 3.31Å; V422-N426 PolarHBondContact O-ND2 3.47Å; R423-N426 CarbonylContact O-C 3.57Å; R423-N426 PolarHBondContact O-N 2.92Å; R423-N426 VanDerWaalsContact O-N 3.09Å; N426-H428 VanDerWaalsContact C-N 3.34Å; N426-L429 PolarHBondContact O-N 3.26Å; N426-K430 WeakPolarHBondContact O-CB 3.32Å; N426-K430 PolarHBondContact O-N 3.29Å
427T81.6Confident78.1Confident92 Ų9299 Ų9956%0.56453%0.526SS*.Hα-helixtrans-63.7-40.5174.6-48.50000111.1R423 E425 K430 G431R423-T427 PolarHBondContact O-N 2.84Å; R423-T427 PolarHBondContact O-OG1 3.36Å; E425-T427 PolarHBondContact O-N 3.18Å; T427-K430 PolarHBondContact O-N 3.29Å; T427-G431 PolarHBondContact O-N 3Å
428H80.3Confident76.3Confident86 Ų8697.8 Ų97.840%0.39853%0.528SS..Hα-helixtrans-67.4-42176.3-174.2-61.4000112.1K196 T424 E425 N426 G431 M432K196-H428 PolarHBondContact NZ-NE2 3.06Å; T424-H428 VanDerWaalsContact O-CB 3.27Å; T424-H428 WeakPolarHBondContact O-CB 3.17Å; T424-H428 PolarHBondContact O-N 3.44Å; E425-H428 PolarHBondContact O-N 3.04Å; N426-H428 VanDerWaalsContact C-N 3.34Å; H428-G431 PolarHBondContact O-N 3.47Å; H428-M432 PolarHBondContact CE1-SD 3.38Å; H428-M432 PolarHBondContact ND1-SD 3Å; H428-M432 VanDerWaalsContact ND1-SD 3.43Å; H428-M432 WeakPolarHBondContact O-CB 3.48Å; H428-M432 WeakPolarHBondContact O-CG 3.24Å; H428-M432 PolarHBondContact O-N 2.88Å
429L82.6Confident74.5Confident85 Ų8593.6 Ų93.645%0.44553%0.525SS..Hα-helixtrans-65.6-42.7174.9-71.3171.1000111E425 N426 G431 M432 M433E425-L429 HydrophobicContact CG-CD1 4.13Å; E425-L429 WeakPolarHBondContact O-CB 3.13Å; E425-L429 VanDerWaalsContact O-CG 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.43Å; E425-L429 PolarHBondContact O-N 3.4Å; N426-L429 PolarHBondContact O-N 3.26Å; L429-G431 VanDerWaalsContact C-N 3.33Å; L429-G431 PolarHBondContact O-N 3.44Å; L429-M432 PolarHBondContact O-N 2.76Å; L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 2.89Å
430K80.5Confident72.4Confident152 Ų15296.7 Ų96.766%0.66154%0.542SS*.Hα-helixtrans-59.7-42172.7-171178.1-179.1-176.60111.7N426 T427 M433 G434N426-K430 WeakPolarHBondContact O-CB 3.32Å; N426-K430 PolarHBondContact O-N 3.29Å; T427-K430 PolarHBondContact O-N 3.29Å; K430-M433 PolarHBondContact O-N 3.09Å; K430-G434 PolarHBondContact O-N 2.9Å
431G77.3Confident70.1Confident57 Ų57100.7 Ų100.759%0.58856%0.556SS**Hα-helixtrans-65.8-38.8173.600000113.7T427 H428 L429 M433 G434T427-G431 PolarHBondContact O-N 3Å; H428-G431 PolarHBondContact O-N 3.47Å; L429-G431 VanDerWaalsContact C-N 3.33Å; L429-G431 PolarHBondContact O-N 3.44Å; G431-M433 VanDerWaalsContact C-N 3.32Å; G431-G434 PolarHBondContact O-N 3.47Å; G431-G434 VanDerWaalsContact O-N 3.1Å
432M72.7Confident68.2Low141 Ų141104.7 Ų104.770%0.69557%0.567SS**Hα-helixtrans-69.7-26.9173.9-75.1-17575.100113.4H428 L429 G434H428-M432 PolarHBondContact CE1-SD 3.38Å; H428-M432 PolarHBondContact ND1-SD 3Å; H428-M432 VanDerWaalsContact ND1-SD 3.43Å; H428-M432 WeakPolarHBondContact O-CB 3.48Å; H428-M432 WeakPolarHBondContact O-CG 3.24Å; H428-M432 PolarHBondContact O-N 2.88Å; L429-M432 PolarHBondContact O-N 2.76Å; M432-G434 VanDerWaalsContact C-N 3.27Å
433M67.1Low66.4Low123 Ų123107 Ų10761%0.60659%0.586SS**THydrogen-bonded Turntrans-78.7-10.7170-67.9-172-51.500112.5L429 K430 G431 L436L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 2.89Å; K430-M433 PolarHBondContact O-N 3.09Å; G431-M433 VanDerWaalsContact C-N 3.32Å; M433-L436 WeakPolarHBondContact O-CB 3.41Å; M433-L436 WeakPolarHBondContact O-CD1 3.37Å; M433-L436 WeakPolarHBondContact O-CG 3.32Å
434G52.5Low64.2Low42 Ų42112.6 Ų112.643%0.43362%0.616SS.*THydrogen-bonded Turntrans61.9-174.3-178.800000114.2K430 G431 M432 L436K430-G434 PolarHBondContact O-N 2.9Å; G431-G434 PolarHBondContact O-N 3.47Å; G431-G434 VanDerWaalsContact O-N 3.1Å; M432-G434 VanDerWaalsContact C-N 3.27Å; G434-L436 PolarHBondContact O-N 3.45Å
435D54.6Low62.5Low180 Ų180114.2 Ų114.296%0.96362%0.621SS**THydrogen-bonded Turntrans-76.650.7165.8-70.2-39.2000110.5D437D435-D437 PolarHBondContact O-N 2.96Å
436L51.4Low60.8Low102 Ų102113.7 Ų113.753%0.53462%0.617SS.*  trans-72.1111.7171.6-76178000109.1M433 G434M433-L436 WeakPolarHBondContact O-CB 3.41Å; M433-L436 WeakPolarHBondContact O-CD1 3.37Å; M433-L436 WeakPolarHBondContact O-CG 3.32Å; G434-L436 PolarHBondContact O-N 3.45Å
437D46Very low59.6Low118 Ų118114.9 Ų114.963%0.63163%0.627SS**  trans-52.1125.2166.5-172.8-1.7000108.8D435 G439 E440D435-D437 PolarHBondContact O-N 2.96Å; D437-G439 PolarHBondContact O-N 2.91Å; D437-E440 PolarHBondContact O-N 2.99Å
438P54.1Low58.4Low111 Ų111115.8 Ų115.872%0.72163%0.629SS**THydrogen-bonded Turntrans-54.3-13.2-178.5-3036.7000115.6
439G51.6Low57.3Low54 Ų54120.4 Ų120.456%0.55764%0.642SS**THydrogen-bonded Turntrans-64.8-33.5171.200000115.4D437D437-G439 PolarHBondContact O-N 2.91Å
440E47.3Very low56.3Low135 Ų135119.7 Ų119.763%0.63164%0.637SS**G310 helixtrans-83-25.2-170.9-70.3-164144.900114.3D437 M442 S443D437-E440 PolarHBondContact O-N 2.99Å; E440-M442 PolarHBondContact O-N 3.37Å; E440-S443 PolarHBondContact O-N 3.01Å; E440-S443 VanDerWaalsContact O-N 3.11Å
441Y45.3Very low55.6Low194 Ų194118.6 Ų118.676%0.76163%0.634SS**G310 helixtrans-66.4-21.4-178.3-166.8-100.6000113.7S443Y441-S443 VanDerWaalsContact C-N 3.27Å; Y441-S443 PolarHBondContact O-N 2.66Å
442M49.8Very low55.2Low137 Ų137119.1 Ų119.168%0.67563%0.629SS**G310 helixtrans-79.5-6.2177.5-63-61.5-71.700113.5E440E440-M442 PolarHBondContact O-N 3.37Å
443S52.2Low55.1Low105 Ų105119.3 Ų119.373%0.73462%0.622SS**G310 helixtrans-108.88.1-171.5-153.80000115.1E440 Y441E440-S443 PolarHBondContact O-N 3.01Å; E440-S443 VanDerWaalsContact O-N 3.11Å; Y441-S443 VanDerWaalsContact C-N 3.27Å; Y441-S443 PolarHBondContact O-N 2.66Å
444M45.9Very low55.4Low161 Ų161118.3 Ų118.379%0.79362%0.615SS**SBendtrans-89.2111.6169.9-87.6-169.5175.500112.3F446M444-F446 PolarHBondContact O-N 2.96Å
445D51.2Low56.6Low126 Ų126120 Ų12067%0.67462%0.617SS**SBendtrans52.422.5159.9-78.3-13.9000118.9
446F51.4Low57.9Low110 Ų110114.1 Ų114.148%0.48259%0.59SS.*Hα-helixtrans-59.6-53.1162.1-78.6-80.5000110.5M444 N448 R449 E450M444-F446 PolarHBondContact O-N 2.96Å; F446-N448 VanDerWaalsContact C-N 3.34Å; F446-N448 PolarHBondContact O-N 3.4Å; F446-N448 VanDerWaalsContact O-N 3.1Å; F446-R449 CarbonylContact O-C 3.6Å; F446-R449 PolarHBondContact O-N 3.35Å; F446-E450 WeakPolarHBondContact O-CA 3.41Å; F446-E450 WeakPolarHBondContact O-CB 3.47Å; F446-E450 PolarHBondContact O-N 3.11Å
447T57.2Low59.4Low101 Ų101112.8 Ų112.862%0.6258%0.583SS**Hα-helixtrans-49.1-46.2-171.355.60000114.7Q451T447-Q451 VanDerWaalsContact O-CB 3.26Å; T447-Q451 WeakPolarHBondContact O-CB 3.5Å; T447-Q451 WeakPolarHBondContact O-CG 3.36Å; T447-Q451 PolarHBondContact O-N 3.43Å
448N55Low61Low112 Ų112111.9 Ų111.960%0.59958%0.578SS**Hα-helixtrans-73.7-40.9-178.7-160.2-1000112.2F446 S452F446-N448 VanDerWaalsContact C-N 3.34Å; F446-N448 PolarHBondContact O-N 3.4Å; F446-N448 VanDerWaalsContact O-N 3.1Å; N448-S452 VanDerWaalsContact O-CB 3.25Å; N448-S452 WeakPolarHBondContact O-CB 3.37Å; N448-S452 PolarHBondContact O-N 3Å
449R58.4Low62.5Low182 Ų182113.6 Ų113.669%0.68757%0.574SS**Hα-helixtrans-68.1-36.1173.4179.2178.1-100.2-163.8-2.1111.8F446 R453F446-R449 CarbonylContact O-C 3.6Å; F446-R449 PolarHBondContact O-N 3.35Å; R449-R453 VanDerWaalsContact O-CB 3.29Å; R449-R453 WeakPolarHBondContact O-CB 3.43Å; R449-R453 VanDerWaalsContact O-CG 3.23Å; R449-R453 WeakPolarHBondContact O-CG 3.45Å; R449-R453 PolarHBondContact O-N 3.05Å
450E61.6Low64Low71 Ų71116.3 Ų116.333%0.33258%0.575SS.*Hα-helixtrans-70.5-45.3-180-155.263.1-118.700110.1F446 R453 H454F446-E450 WeakPolarHBondContact O-CA 3.41Å; F446-E450 WeakPolarHBondContact O-CB 3.47Å; F446-E450 PolarHBondContact O-N 3.11Å; E450-R453 PolarHBondContact O-N 3.2Å; E450-H454 WeakPolarHBondContact O-CB 3.23Å; E450-H454 PolarHBondContact O-N 2.8Å; E450-H454 PolarHBondContact O-ND1 3.46Å; E450-H454 IonicContact OE1-CE1 2.72Å; E450-H454 PolarHBondContact OE1-CE1 3.4Å; E450-H454 IonicContact OE1-ND1 2.65Å
451Q64.7Low65.6Low128 Ų128115.3 Ų115.360%0.59857%0.571SS**Hα-helixtrans-65.7-38.8173.7-74.5167.6-12.400112T447 T455T447-Q451 VanDerWaalsContact O-CB 3.26Å; T447-Q451 WeakPolarHBondContact O-CB 3.5Å; T447-Q451 WeakPolarHBondContact O-CG 3.36Å; T447-Q451 PolarHBondContact O-N 3.43Å; Q451-T455 VanDerWaalsContact O-CB 3.29Å; Q451-T455 WeakPolarHBondContact O-CB 3.49Å; Q451-T455 PolarHBondContact O-N 3.47Å; Q451-T455 PolarHBondContact O-OG1 2.79Å
452S68.4Low67.3Low68 Ų68114.5 Ų114.548%0.47657%0.568SS.*Hα-helixtrans-65.5-41.2172.6-173.80000112.1N448 S456N448-S452 VanDerWaalsContact O-CB 3.25Å; N448-S452 WeakPolarHBondContact O-CB 3.37Å; N448-S452 PolarHBondContact O-N 3Å; S452-S456 VanDerWaalsContact O-CB 3.3Å; S452-S456 WeakPolarHBondContact O-CB 3.42Å; S452-S456 PolarHBondContact O-N 3.14Å; S452-S456 PolarHBondContact O-OG 3.34Å
453R70.9Confident69Low146 Ų146112.1 Ų112.155%0.55156%0.555SS**Hα-helixtrans-63.8-48.1172.6-79.717468.4116.60111.8R449 E450 T455 S456 I457R449-R453 VanDerWaalsContact O-CB 3.29Å; R449-R453 WeakPolarHBondContact O-CB 3.43Å; R449-R453 VanDerWaalsContact O-CG 3.23Å; R449-R453 WeakPolarHBondContact O-CG 3.45Å; R449-R453 PolarHBondContact O-N 3.05Å; E450-R453 PolarHBondContact O-N 3.2Å; R453-T455 PolarHBondContact O-N 3.25Å; R453-S456 CarbonylContact O-C 3.58Å; R453-S456 PolarHBondContact O-N 3.4Å; R453-S456 VanDerWaalsContact O-N 3.17Å; R453-I457 HydrophobicContact CB-CD1 4.48Å; R453-I457 WeakPolarHBondContact O-CB 3.35Å; R453-I457 WeakPolarHBondContact O-CD1 3.44Å; R453-I457 WeakPolarHBondContact O-CG1 3.26Å; R453-I457 PolarHBondContact O-N 2.94Å
454H74.5Confident70.2Confident101 Ų101111 Ų11147%0.46854%0.541SS..Hα-helixtrans-61.8-41.8177.4-80.276.7000111.8E450 S456 I457 N458E450-H454 WeakPolarHBondContact O-CB 3.23Å; E450-H454 PolarHBondContact O-N 2.8Å; E450-H454 PolarHBondContact O-ND1 3.46Å; E450-H454 IonicContact OE1-CE1 2.72Å; E450-H454 PolarHBondContact OE1-CE1 3.4Å; E450-H454 IonicContact OE1-ND1 2.65Å; H454-S456 VanDerWaalsContact C-N 3.33Å; H454-S456 PolarHBondContact O-N 3.3Å; H454-I457 PolarHBondContact O-N 3.23Å; H454-N458 WeakPolarHBondContact O-CB 3.46Å; H454-N458 PolarHBondContact O-N 3.24Å; H454-N458 PolarHBondContact O-ND2 3.02Å
455T77.7Confident72Confident77 Ų77108.5 Ų108.547%0.47253%0.527SS..Hα-helixtrans-63.2-40174.5-56.90000111.6Q451 R453 K459Q451-T455 VanDerWaalsContact O-CB 3.29Å; Q451-T455 WeakPolarHBondContact O-CB 3.49Å; Q451-T455 PolarHBondContact O-N 3.47Å; Q451-T455 PolarHBondContact O-OG1 2.79Å; R453-T455 PolarHBondContact O-N 3.25Å; T455-K459 WeakPolarHBondContact O-CG 3.39Å; T455-K459 PolarHBondContact O-N 3.22Å; T455-K459 VanDerWaalsContact O-N 3.11Å
456S81.9Confident73.6Confident57 Ų57107.9 Ų107.940%0.39952%0.515SS..Hα-helixtrans-71.3-40.1177.7-58.60000112.2S452 R453 H454 K459 L460S452-S456 VanDerWaalsContact O-CB 3.3Å; S452-S456 WeakPolarHBondContact O-CB 3.42Å; S452-S456 PolarHBondContact O-N 3.14Å; S452-S456 PolarHBondContact O-OG 3.34Å; R453-S456 CarbonylContact O-C 3.58Å; R453-S456 PolarHBondContact O-N 3.4Å; R453-S456 VanDerWaalsContact O-N 3.17Å; H454-S456 VanDerWaalsContact C-N 3.33Å; H454-S456 PolarHBondContact O-N 3.3Å; S456-K459 PolarHBondContact O-N 3.44Å; S456-L460 WeakPolarHBondContact O-CB 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.3Å; S456-L460 WeakPolarHBondContact O-CG 3.38Å; S456-L460 PolarHBondContact O-N 3.45Å
457I81.9Confident75.1Confident75 Ų75106.7 Ų106.739%0.38551%0.513SS..Hα-helixtrans-65-45176.4-71.7163.9000110.2R453 H454 K459 L460 Q461R453-I457 HydrophobicContact CB-CD1 4.48Å; R453-I457 WeakPolarHBondContact O-CB 3.35Å; R453-I457 WeakPolarHBondContact O-CD1 3.44Å; R453-I457 WeakPolarHBondContact O-CG1 3.26Å; R453-I457 PolarHBondContact O-N 2.94Å; H454-I457 PolarHBondContact O-N 3.23Å; I457-K459 PolarHBondContact O-N 3.29Å; I457-L460 PolarHBondContact O-N 3.5Å; I457-Q461 HydrophobicContact CG2-CG 4.4Å; I457-Q461 WeakPolarHBondContact O-CB 3.38Å; I457-Q461 WeakPolarHBondContact O-CG 3.17Å; I457-Q461 PolarHBondContact O-N 3.11Å
458N79.9Confident76.2Confident98 Ų98109 Ų10952%0.52451%0.511SS..Hα-helixtrans-62.7-40.2175.7-78.3-22.2000112.2H454 Q461 Y462H454-N458 WeakPolarHBondContact O-CB 3.46Å; H454-N458 PolarHBondContact O-N 3.24Å; H454-N458 PolarHBondContact O-ND2 3.02Å; N458-Q461 PolarHBondContact O-N 3.46Å; N458-Y462 WeakPolarHBondContact O-CB 3.31Å; N458-Y462 PolarHBondContact O-N 2.93Å
459K85.5Confident77.3Confident147 Ų147107.6 Ų107.664%0.63950%0.503SS*.Hα-helixtrans-62.7-46.7173-77.4177179.6179.60111.9T455 S456 I457 Y462 E463T455-K459 WeakPolarHBondContact O-CG 3.39Å; T455-K459 PolarHBondContact O-N 3.22Å; T455-K459 VanDerWaalsContact O-N 3.11Å; S456-K459 PolarHBondContact O-N 3.44Å; I457-K459 PolarHBondContact O-N 3.29Å; K459-Y462 PolarHBondContact O-N 3.41Å; K459-E463 WeakPolarHBondContact O-CB 3.34Å; K459-E463 PolarHBondContact O-N 3.32Å
460L83.6Confident78.3Confident111 Ų111101.3 Ų101.358%0.58148%0.483SS*.Hα-helixtrans-66.7-35.4178.4-73.6171.9000112.5S456 I457 N464S456-L460 WeakPolarHBondContact O-CB 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.3Å; S456-L460 WeakPolarHBondContact O-CG 3.38Å; S456-L460 PolarHBondContact O-N 3.45Å; I457-L460 PolarHBondContact O-N 3.5Å; L460-N464 WeakPolarHBondContact O-CB 3.44Å; L460-N464 PolarHBondContact O-N 2.83Å
461Q80.4Confident78.9Confident115 Ų115102.7 Ų102.754%0.53749%0.492SS..Hα-helixtrans-66-48.1173.2-81.8-179-30.100111I457 N458 E463 N464 E465I457-Q461 HydrophobicContact CG2-CG 4.4Å; I457-Q461 WeakPolarHBondContact O-CB 3.38Å; I457-Q461 WeakPolarHBondContact O-CG 3.17Å; I457-Q461 PolarHBondContact O-N 3.11Å; N458-Q461 PolarHBondContact O-N 3.46Å; Q461-E463 VanDerWaalsContact C-N 3.29Å; Q461-E463 PolarHBondContact O-N 2.96Å; Q461-N464 PolarHBondContact O-N 2.92Å; Q461-N464 VanDerWaalsContact O-N 3.13Å; Q461-E465 WeakPolarHBondContact O-CB 3.36Å; Q461-E465 PolarHBondContact O-N 2.78Å
462Y82.1Confident79.1Confident177 Ų17799.1 Ų99.169%0.69448%0.484SS*.Hα-helixtrans-59.3-40.8175.5-177.3-98.4000111.9N458 K459 E465 R466N458-Y462 WeakPolarHBondContact O-CB 3.31Å; N458-Y462 PolarHBondContact O-N 2.93Å; K459-Y462 PolarHBondContact O-N 3.41Å; Y462-E465 PolarHBondContact O-N 3.19Å; Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 3.45Å
463E84.1Confident79.2Confident87 Ų87101.6 Ų101.641%0.40749%0.487SS..Hα-helixtrans-70.3-34.5175.1-171.7150.1-123.100112.8K459 Q461 R466 L467K459-E463 WeakPolarHBondContact O-CB 3.34Å; K459-E463 PolarHBondContact O-N 3.32Å; Q461-E463 VanDerWaalsContact C-N 3.29Å; Q461-E463 PolarHBondContact O-N 2.96Å; E463-R466 PolarHBondContact O-N 2.95Å; E463-R466 IonicContact OE1-CZ 3.8Å; E463-R466 IonicContact OE1-NH1 2.64Å; E463-R466 PolarHBondContact OE1-NH1 3.16Å; E463-L467 HydrophobicContact CG-CD1 4.06Å; E463-L467 HydrophobicContact CG-CG 4.36Å; E463-L467 VanDerWaalsContact O-CB 3.31Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 VanDerWaalsContact O-CG 3.23Å; E463-L467 WeakPolarHBondContact O-CG 3.49Å; E463-L467 PolarHBondContact O-N 2.89Å
464N78.4Confident78.8Confident82 Ų82100.2 Ų100.244%0.43949%0.49SS..Hα-helixtrans-65-42.8171.4-130.8-87.2000111.5L460 Q461 R466 L467 R468L460-N464 WeakPolarHBondContact O-CB 3.44Å; L460-N464 PolarHBondContact O-N 2.83Å; Q461-N464 PolarHBondContact O-N 2.92Å; Q461-N464 VanDerWaalsContact O-N 3.13Å; N464-R466 VanDerWaalsContact C-N 3.3Å; N464-R466 PolarHBondContact O-N 3.31Å; N464-L467 PolarHBondContact O-N 2.86Å; N464-R468 VanDerWaalsContact O-CB 3.28Å; N464-R468 WeakPolarHBondContact O-CB 3.17Å; N464-R468 WeakPolarHBondContact O-CG 3.5Å; N464-R468 PolarHBondContact O-N 2.97Å; N464-R468 PolarHBondContact OD1-NE 2.96Å
465E82.7Confident78Confident107 Ų107103.1 Ų103.150%0.550%0.503SS..Hα-helixtrans-63.5-39.1177.1-151.365.2-144.200110.8Q461 Y462 N469Q461-E465 WeakPolarHBondContact O-CB 3.36Å; Q461-E465 PolarHBondContact O-N 2.78Å; Y462-E465 PolarHBondContact O-N 3.19Å; E465-N469 WeakPolarHBondContact O-CB 3.43Å; E465-N469 PolarHBondContact O-N 3.08Å; E465-N469 PolarHBondContact O-ND2 2.9Å
466R84.8Confident77Confident113 Ų113105.8 Ų105.843%0.42652%0.519SS..Hα-helixtrans-65.6-49.3172.8-159.3-17196.3-129.35.3111.6Y462 E463 N464 R468 N469 D470Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 3.45Å; E463-R466 PolarHBondContact O-N 2.95Å; E463-R466 IonicContact OE1-CZ 3.8Å; E463-R466 IonicContact OE1-NH1 2.64Å; E463-R466 PolarHBondContact OE1-NH1 3.16Å; N464-R466 VanDerWaalsContact C-N 3.3Å; N464-R466 PolarHBondContact O-N 3.31Å; R466-R468 VanDerWaalsContact C-N 3.33Å; R466-R468 PolarHBondContact O-N 3.44Å; R466-N469 CarbonylContact O-C 3.57Å; R466-N469 WeakPolarHBondContact O-CB 3.21Å; R466-N469 PolarHBondContact O-N 2.95Å; R466-D470 IonicContact NE-OD2 2.94Å; R466-D470 WeakPolarHBondContact O-CB 3.44Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3Å
467L83.8Confident75.8Confident85 Ų85110.1 Ų110.145%0.44554%0.537SS..Hα-helixtrans-65.6-33.1178.8-73.5170.7000112.5E463 N464 D470 L471E463-L467 HydrophobicContact CG-CD1 4.06Å; E463-L467 HydrophobicContact CG-CG 4.36Å; E463-L467 VanDerWaalsContact O-CB 3.31Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 VanDerWaalsContact O-CG 3.23Å; E463-L467 WeakPolarHBondContact O-CG 3.49Å; E463-L467 PolarHBondContact O-N 2.89Å; N464-L467 PolarHBondContact O-N 2.86Å; L467-D470 PolarHBondContact O-N 3.26Å; L467-L471 VanDerWaalsContact O-CB 3.24Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CG 3.39Å; L467-L471 PolarHBondContact O-N 2.82Å
468R79.4Confident74Confident151 Ų151109 Ų10957%0.5755%0.545SS*.Hα-helixtrans-68.2-41.5171-76171.5-179.9-166.7-5.5111.6N464 R466 A472N464-R468 VanDerWaalsContact O-CB 3.28Å; N464-R468 WeakPolarHBondContact O-CB 3.17Å; N464-R468 WeakPolarHBondContact O-CG 3.5Å; N464-R468 PolarHBondContact O-N 2.97Å; N464-R468 PolarHBondContact OD1-NE 2.96Å; R466-R468 VanDerWaalsContact C-N 3.33Å; R466-R468 PolarHBondContact O-N 3.44Å; R468-A472 VanDerWaalsContact O-CB 3.29Å; R468-A472 WeakPolarHBondContact O-CB 3.43Å; R468-A472 PolarHBondContact O-N 2.89Å
469N78.1Confident72.4Confident82 Ų82114 Ų11444%0.43956%0.562SS.*Hα-helixtrans-63.4-40.7171.6-90.8-80.6000112E465 R466 A472 K473E465-N469 WeakPolarHBondContact O-CB 3.43Å; E465-N469 PolarHBondContact O-N 3.08Å; E465-N469 PolarHBondContact O-ND2 2.9Å; R466-N469 CarbonylContact O-C 3.57Å; R466-N469 WeakPolarHBondContact O-CB 3.21Å; R466-N469 PolarHBondContact O-N 2.95Å; N469-A472 PolarHBondContact O-N 2.8Å; N469-K473 WeakPolarHBondContact O-CG 3.47Å; N469-K473 PolarHBondContact O-N 3.48Å
470D80Confident70.7Confident50 Ų50112.1 Ų112.127%0.26757%0.567SS.*Hα-helixtrans-73.5-35179.7-66-21000111.3R466 L467 K473 L474R466-D470 IonicContact NE-OD2 2.94Å; R466-D470 WeakPolarHBondContact O-CB 3.44Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3Å; L467-D470 PolarHBondContact O-N 3.26Å; D470-K473 PolarHBondContact O-N 3.25Å; D470-K473 IonicContact OD1-NZ 3.69Å; D470-K473 PolarHBondContact OD1-NZ 3.34Å; D470-L474 WeakPolarHBondContact O-CB 3.48Å; D470-L474 VanDerWaalsContact O-CG 3.25Å; D470-L474 WeakPolarHBondContact O-CG 3.36Å; D470-L474 PolarHBondContact O-N 3.43Å
471L74.1Confident69Low100 Ų100113.6 Ų113.652%0.52458%0.581SS.*Hα-helixtrans-63.9-41.5167.3-83.7167000112.3L467 L474 H475L467-L471 VanDerWaalsContact O-CB 3.24Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CG 3.39Å; L467-L471 PolarHBondContact O-N 2.82Å; L471-L474 PolarHBondContact O-N 3.45Å; L471-H475 WeakPolarHBondContact O-CB 3.35Å; L471-H475 PolarHBondContact O-N 3.33Å
472A69.4Low67.2Low52 Ų52118.9 Ų118.943%0.4360%0.596SS.*Hα-helixtrans-63.5-42.3174.900000111.2R468 N469 H475 V476R468-A472 VanDerWaalsContact O-CB 3.29Å; R468-A472 WeakPolarHBondContact O-CB 3.43Å; R468-A472 PolarHBondContact O-N 2.89Å; N469-A472 PolarHBondContact O-N 2.8Å; A472-H475 PolarHBondContact O-N 3.18Å; A472-V476 WeakPolarHBondContact O-CB 3.21Å; A472-V476 VanDerWaalsContact O-CG2 3.28Å; A472-V476 WeakPolarHBondContact O-CG2 3.3Å; A472-V476 PolarHBondContact O-N 3.34Å
473K69.7Low65.4Low121 Ų121116.8 Ų116.853%0.52660%0.602SS.*Hα-helixtrans-63.5-39.9172.8-69.1166.5-157.3159.50112.2N469 D470 V476 N477N469-K473 WeakPolarHBondContact O-CG 3.47Å; N469-K473 PolarHBondContact O-N 3.48Å; D470-K473 PolarHBondContact O-N 3.25Å; D470-K473 IonicContact OD1-NZ 3.69Å; D470-K473 PolarHBondContact OD1-NZ 3.34Å; K473-V476 PolarHBondContact O-N 2.75Å; K473-N477 VanDerWaalsContact O-CB 3.23Å; K473-N477 WeakPolarHBondContact O-CB 3.42Å; K473-N477 PolarHBondContact O-N 2.82Å
474L62.3Low63.7Low117 Ų117118.8 Ų118.861%0.61362%0.615SS**Hα-helixtrans-66.4-41.6175.6-76.1165.5000111.9D470 L471 V476 N477 G478D470-L474 WeakPolarHBondContact O-CB 3.48Å; D470-L474 VanDerWaalsContact O-CG 3.25Å; D470-L474 WeakPolarHBondContact O-CG 3.36Å; D470-L474 PolarHBondContact O-N 3.43Å; L471-L474 PolarHBondContact O-N 3.45Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 3.19Å; L474-N477 CarbonylContact O-C 3.59Å; L474-N477 PolarHBondContact O-N 2.95Å; L474-G478 PolarHBondContact O-N 3.3Å
475H57.5Low62Low162 Ų162123.7 Ų123.775%0.7564%0.636SS**Hα-helixtrans-63.7-32.3173.2-97.9-94000113.2L471 A472L471-H475 WeakPolarHBondContact O-CB 3.35Å; L471-H475 PolarHBondContact O-N 3.33Å; A472-H475 PolarHBondContact O-N 3.18Å
476V56.9Low60.3Low132 Ų132124.9 Ų124.980%0.865%0.645SS**Hα-helixtrans-78.9-25.9175.3170.40000112.2A472 K473 L474A472-V476 WeakPolarHBondContact O-CB 3.21Å; A472-V476 VanDerWaalsContact O-CG2 3.28Å; A472-V476 WeakPolarHBondContact O-CG2 3.3Å; A472-V476 PolarHBondContact O-N 3.34Å; K473-V476 PolarHBondContact O-N 2.75Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 3.19Å
477N57.4Low58.4Low148 Ų148124.4 Ų124.479%0.79166%0.655SS**Hα-helixtrans-114.112.5-172.6-158.138.9000115.3K473 L474K473-N477 VanDerWaalsContact O-CB 3.23Å; K473-N477 WeakPolarHBondContact O-CB 3.42Å; K473-N477 PolarHBondContact O-N 2.82Å; L474-N477 CarbonylContact O-C 3.59Å; L474-N477 PolarHBondContact O-N 2.95Å
478G44.9Very low56.6Low52 Ų52130.9 Ų130.954%0.53668%0.675SS.*  trans-159.3110.4-179.700000114.7L474L474-G478 PolarHBondContact O-N 3.3Å
479K45.5Very low55Low203 Ų203129.8 Ų129.888%0.88368%0.677SS**  trans-87.6137.1167.1-90.1-178.4174.7176.60111.3
480S50.6Low53.6Low107 Ų107131.8 Ų131.875%0.74868%0.683SS**  trans56.3107.9162.265.40000119.3
481T47.9Very low52.1Low142 Ų142134.5 Ų134.587%0.87170%0.702SS**  trans-171.575.5134.825.60000111.8
482W41.5Very low51.1Low226 Ų226131.9 Ų131.986%0.85670%0.699SS**  trans-152.562.1157.7-147.8-63.5000113.3N484W482-N484 PolarHBondContact O-N 3.42Å
483T45.2Very low50.4Low134 Ų134137 Ų13782%0.82271%0.707SS**  trans-7791.5159.144.20000108.9
484N46.7Very low49.6Very low129 Ų129138.9 Ų138.969%0.6971%0.712SS**  trans176.981.8156.6-92.4-28000109.9W482W482-N484 PolarHBondContact O-N 3.42Å
485Q44.3Very low49.2Very low185 Ų185136 Ų13686%0.86471%0.706SS**  trans-139.856.7173.6-165.6168.75.700109.5
486N46.3Very low48.9Very low131 Ų131136.9 Ų136.970%0.70170%0.704SS**  trans-154.630.2177.2-12814.6000114.2
487T44.4Very low48.6Very low103 Ų103136.6 Ų136.663%0.63269%0.694SS**SBendtrans-123.56.6-175.93.10000114.6
488Y45.4Very low48.2Very low222 Ų222133 Ų13387%0.87168%0.68SS**SBendtrans-114.3-22.3179.5-126.9-94.9000114.1
489E47.4Very low48.6Very low128 Ų128137.2 Ų137.260%0.59869%0.686SS**Hα-helixtrans-84.6-11.6176.3-69-165.1178.200114.4R493E489-R493 PolarHBondContact O-NE 3.47Å; E489-R493 IonicContact OE2-NH2 3.44Å; E489-R493 PolarHBondContact OE2-NH2 3.3Å
490E48.5Very low49Very low124 Ų124132.5 Ų132.558%0.57967%0.669SS**Hα-helixtrans-89.1-37.2-174-161.5152.6-150.600111.9G492 R493 Y494E490-G492 VanDerWaalsContact C-N 3.3Å; E490-G492 PolarHBondContact O-N 3.09Å; E490-R493 PolarHBondContact O-N 2.79Å; E490-Y494 PolarHBondContact O-N 3.48Å
491T48.9Very low48.9Very low107 Ų107134 Ų13466%0.65666%0.662SS**Hα-helixtrans-61.9-34.2175.4-47.40000112.8
492G53Low49.1Very low45 Ų45131.9 Ų131.946%0.46465%0.649SS.*Hα-helixtrans-69.5-31.9178.200000114.1E490E490-G492 VanDerWaalsContact C-N 3.3Å; E490-G492 PolarHBondContact O-N 3.09Å
493R54.1Low49.3Very low159 Ų159128.9 Ų128.960%0.664%0.644SS**Hα-helixtrans-77.8-34.8-177.3-63.5-177-138-130.45.8112.4E489 E490 Q497E489-R493 PolarHBondContact O-NE 3.47Å; E489-R493 IonicContact OE2-NH2 3.44Å; E489-R493 PolarHBondContact OE2-NH2 3.3Å; E490-R493 PolarHBondContact O-N 2.79Å; R493-Q497 PolarHBondContact O-N 3.22Å
494Y52.6Low49.3Very low160 Ų160129.2 Ų129.263%0.62764%0.636SS**Hα-helixtrans-68.9-32.3175.2-89.2-83.9000113.6E490 S498E490-Y494 PolarHBondContact O-N 3.48Å; Y494-S498 PolarHBondContact O-N 3.07Å; Y494-S498 PolarHBondContact O-OG 3.44Å
495A53.3Low49.3Very low58 Ų58128.6 Ų128.648%0.47963%0.633SS.*Hα-helixtrans-65.9-49175.700000111.9Q497 S498A495-Q497 VanDerWaalsContact C-N 3.34Å; A495-Q497 PolarHBondContact O-N 3.45Å; A495-S498 PolarHBondContact O-N 3.16Å
496Y51.8Low49.3Very low180 Ų180128 Ų12871%0.70663%0.63SS**Hα-helixtrans-63.9-34.9178.5-108.3-92.7000113.3S498Y496-S498 VanDerWaalsContact C-N 3.3Å; Y496-S498 PolarHBondContact O-N 3.35Å
497Q49.9Very low48.9Very low126 Ų126130.5 Ų130.559%0.58964%0.638SS**Hα-helixtrans-76.8-16.1179.3-162.8165.731.300113.7R493 A495R493-Q497 PolarHBondContact O-N 3.22Å; A495-Q497 VanDerWaalsContact C-N 3.34Å; A495-Q497 PolarHBondContact O-N 3.45Å
498S51.1Low48.6Very low73 Ų73136 Ų13651%0.5165%0.647SS.*Hα-helixtrans-82.9-32.4178.2-60.30000112.7Y494 A495 Y496 K501Y494-S498 PolarHBondContact O-N 3.07Å; Y494-S498 PolarHBondContact O-OG 3.44Å; A495-S498 PolarHBondContact O-N 3.16Å; Y496-S498 VanDerWaalsContact C-N 3.3Å; Y496-S498 PolarHBondContact O-N 3.35Å; S498-K501 PolarHBondContact O-N 3.47Å
499Q51.5Low48.4Very low139 Ų139133.2 Ų133.265%0.6565%0.646SS**Hα-helixtrans-69.4-41.7178.9-80.5173.8-34.900112.9K501 V502Q499-K501 PolarHBondContact O-N 2.97Å; Q499-K501 VanDerWaalsContact O-N 3.11Å; Q499-V502 PolarHBondContact O-N 3.35Å; Q499-V502 VanDerWaalsContact O-N 3.14Å
500I54.3Low47.8Very low104 Ų104132.5 Ų132.553%0.53366%0.656SS.*THydrogen-bonded Turntrans-63.4-20.5179.2-63.3177.8000112.7
501K49.2Very low47.2Very low140 Ų140135.8 Ų135.861%0.60967%0.671SS**THydrogen-bonded Turntrans-88.9-11.3178.5-80.3-176.1173.9179.30115.1S498 Q499 N505S498-K501 PolarHBondContact O-N 3.47Å; Q499-K501 PolarHBondContact O-N 2.97Å; Q499-K501 VanDerWaalsContact O-N 3.11Å; K501-N505 PolarHBondContact O-ND2 3.43Å
502V51.2Low46.2Very low96 Ų96138 Ų13858%0.58268%0.678SS**THydrogen-bonded Turntrans-85.8-43.1174.3179.20000109.8Q499 Q504 N505Q499-V502 PolarHBondContact O-N 3.35Å; Q499-V502 VanDerWaalsContact O-N 3.14Å; V502-Q504 PolarHBondContact O-N 3.31Å; V502-Q504 VanDerWaalsContact O-N 3.16Å; V502-N505 PolarHBondContact O-N 3.09Å; V502-N505 VanDerWaalsContact O-N 3.15Å
503E46.8Very low45.2Very low163 Ų163140.9 Ų140.976%0.76269%0.69SS**THydrogen-bonded Turntrans-64.2-20.2-178.2-130.9168.7-168.900114.2
504Q45.8Very low44.3Very low141 Ų141141.6 Ų141.666%0.65970%0.7SS**THydrogen-bonded Turntrans-94-0.1177.8-68.4-170.4-15.200115V502V502-Q504 PolarHBondContact O-N 3.31Å; V502-Q504 VanDerWaalsContact O-N 3.16Å
505N46.3Very low43.9Very low116 Ų116138.2 Ų138.262%0.6270%0.698SS**THydrogen-bonded Turntrans-112.5-10.1-175.7-78.7-55.4000115.1K501 V502K501-N505 PolarHBondContact O-ND2 3.43Å; V502-N505 PolarHBondContact O-N 3.09Å; V502-N505 VanDerWaalsContact O-N 3.15Å
506E42.6Very low42.8Very low174 Ų174143.7 Ų143.781%0.81372%0.719SS**SBendtrans-85.4-14.8173.4-68.8-166.7135.900113.6R508E506-R508 VanDerWaalsContact C-N 3.35Å; E506-R508 PolarHBondContact O-N 3.49Å
507E38.9Very low41.8Very low183 Ų183145.9 Ų145.986%0.85573%0.726SS**THydrogen-bonded Turntrans-92.117.6-177.7-135.7177.8-153.600114.2
508R38.3Very low40.8Very low217 Ų217144.6 Ų144.682%0.81973%0.731SS**THydrogen-bonded Turntrans-127.213.8-173.5-85-170.4174.6-178.10.5116.7E506E506-R508 VanDerWaalsContact C-N 3.35Å; E506-R508 PolarHBondContact O-N 3.49Å
509L41Very low39.8Very low165 Ų165147.1 Ų147.186%0.86474%0.744SS**  trans-126.262.9-179-157.679.7000114.3
510S35.7Very low38.7Very low113 Ų113148.5 Ų148.579%0.7975%0.752SS**  trans-166.864.7164.539.10000113.6
511H34.6Very low38.1Very low193 Ų193148.3 Ų148.389%0.89476%0.758SS**  trans-150.1112.2159.7-110.7-61.5000114.8
512D28.2Very low37.2Very low152 Ų152147.7 Ų147.781%0.81377%0.768SS**  trans168.8150.8158-101.2-15.7000105.9
513C31.6Very low36.2Very low107 Ų107151.1 Ų151.172%0.72378%0.782SS**  cis-156.8165.5-22.7-118.80000105.3
514E36.5Very low35.6Very low173 Ų173148.5 Ų148.581%0.80878%0.779SS**  cis-145-174.76.9-125.3-133.911600108.5
515P43.5Very low34.9Very low90 Ų90147.8 Ų147.858%0.58479%0.787SS**  trans-100.6170.7-159.440.2-37.9000116.2
516N30.1Very low34.1Very low172 Ų172147.4 Ų147.492%0.9279%0.793SS**  trans-151.8163.6140.8-109.8-56.1000113.1
517R31Very low33.5Very low226 Ų226145.4 Ų145.485%0.85379%0.793SS**  trans-116.8142.6-139.7-171.5-166.7-138.8-1447.9115.5
518S29.6Very low33Very low99 Ų99146 Ų14669%0.69279%0.793SS**  trans135.8109.1145.4-59.40000112
519T29Very low32.7Very low126 Ų126144.1 Ų144.177%0.77379%0.794SS**  66.9114.481.8-53.20000111.2
520M29.1Very low32.1Very low168 Ų168141.2 Ų141.283%0.82879%0.794SS**  cis-154-167.126.1-140.9175.779.100112.6
521P40Very low31.8Very low100 Ų100144.9 Ų144.965%0.64980%0.795SS**  -97.1171.7-122.243.2-30.6000116.9
522P30.7Very low31.6Very low128 Ų128145 Ų14583%0.83180%0.796SS**  -140.8155.5119.837.6-25.4000116.2
523L30.6Very low31.7Very low167 Ų167146.3 Ų146.387%0.87480%0.8SS**  trans-95.2169.1164.1-70.6156.6000109.6
524P34.7Very low31.5Very low108 Ų108147.8 Ų147.870%0.70181%0.805SS**  -119.5152.3-6835.8-21.9000111.9
525P31.6Very low31.2Very low127 Ų127145 Ų14583%0.82581%0.806SS**  trans-81.7126.1170.7-5.623.8000111.1T527P525-T527 PolarHBondContact O-N 2.92Å
526S28.8Very low30.9Very low107 Ų107146.3 Ų146.375%0.74881%0.814SS**  trans-75.7116.9172.6-172.90000110.7F528S526-F528 PolarHBondContact O-N 2.87Å
527T29.4Very low30.9Very low132 Ų132142.5 Ų142.581%0.8179%0.793SS**  trans-73.9110.5175.8390000111.7P525P525-T527 PolarHBondContact O-N 2.92Å
528F28.6Very low30.9Very low196 Ų196136.8 Ų136.886%0.8678%0.783SS**PPolyproline II helixtrans-81.6119.2162-95.1-91.1000110.2S526S526-F528 PolarHBondContact O-N 2.87Å
529Q32.7Very low31.4Very low178 Ų178135.5 Ų135.583%0.83277%0.774SS**PPolyproline II helixtrans-76.8124.4168.2-68.5-177.4-2.800109.6K531Q529-K531 PolarHBondContact O-N 2.85Å
530A27.8Very low31.7Very low104 Ų104135.4 Ų135.486%0.8677%0.769SS**PPolyproline II helixtrans-79.2116.2164.300000108.8
531K30Very low32.1Very low190 Ų190131.2 Ų131.283%0.82675%0.75SS**  trans-109.4113.3166.9-122.5179.2-178.4179.40107.6Q529 M533Q529-K531 PolarHBondContact O-N 2.85Å; K531-M533 PolarHBondContact O-N 3.29Å
532E29.9Very low31.7Very low195 Ų195133.2 Ų133.291%0.91176%0.755SS**  trans-69.1123.6167.2-71-173.9136.700108.9
533M30.5Very low31.9Very low179 Ų179132.6 Ų132.688%0.88275%0.749SS**  trans-145118.3160.1-122.2168.7170.100108.6K531K531-M533 PolarHBondContact O-N 3.29Å
534T28.3Very low31.9Very low138 Ų138132 Ų13285%0.84774%0.739SS**PPolyproline II helixtrans-50126.4178.744.90000113.4
535S29.4Very low32.4Very low116 Ų116131.1 Ų131.181%0.81173%0.734SS**PPolyproline II helixtrans-84.3134.5159.7-64.70000110.7
536P36.9Very low32.4Very low117 Ų117131.8 Ų131.876%0.7673%0.729SS**PPolyproline II helixtrans-73.7142.5151.3-10.628.2000110.8
537L30.1Very low32.8Very low91 Ų91131.2 Ų131.248%0.47673%0.726SS.*  trans-7141.2135.6-114.768.2000114.9Y419 V422Y419-L537 HydrophobicContact CD2-CD1 4.16Å; Y419-L537 HydrophobicContact CE2-CD1 3.75Å; Y419-L537 HydrophobicContact CE2-CG 4.43Å; V422-L537 HydrophobicContact CG1-CD1 4.41Å
538V30.5Very low33.1Very low107 Ų107131 Ų13165%0.64873%0.727SS**  cis-152.5134.836.4173.20000110.6
539S39.9Very low33.5Very low72 Ų72126.9 Ų126.950%0.50372%0.719SS.*  trans-93138.2143.2-640000108.6Y419 R423Y419-S539 PolarHBondContact OH-N 3.39Å; Y419-S539 PolarHBondContact OH-O 3.47Å; R423-S539 PolarHBondContact NH2-O 3.37Å
540D35.3Very low33.5Very low123 Ų123125.7 Ų125.766%0.65872%0.719SS**  trans-129.4106.9139.2-83.3-25.6000104.4R423R423-D540 IonicContact CZ-OD1 2.75Å; R423-D540 IonicContact NE-OD1 3.56Å; R423-D540 PolarHBondContact NE-OD1 3.11Å; R423-D540 IonicContact NH2-OD1 3.32Å
541D38.3Very low34Very low80 Ų80130 Ų13043%0.42872%0.723SS.*  69.7114.473.3-87.840.1000113.4R423R423-D541 IonicContact CZ-OD1 2.66Å; R423-D541 IonicContact CZ-OD2 2.84Å; R423-D541 VanDerWaalsContact CZ-OD2 3.3Å; R423-D541 IonicContact NH1-OD1 3.35Å; R423-D541 PolarHBondContact NH1-OD1 3.49Å; R423-D541 IonicContact NH1-OD2 3.94Å; R423-D541 PolarHBondContact NH1-OD2 3.27Å; R423-D541 IonicContact NH2-OD1 2.8Å; R423-D541 PolarHBondContact NH2-OD1 3.26Å; R423-D541 IonicContact NH2-OD2 3.69Å
542D31.4Very low34.8Very low142 Ų142125.3 Ų125.376%0.75971%0.714SS**SBend-140.160128.2-110.5-30.5000109.3F544D542-F544 WeakPolarHBondContact OD1-CD2 3.38Å; D542-F544 WeakPolarHBondContact OD1-CE2 3.27Å
543V34.6Very low35.1Very low116 Ų116125.4 Ų125.470%0.70371%0.712SS**  trans-113.781.4158.2179.10000106.6P545V543-P545 WeakPolarHBondContact O-CD 3.38Å
544F31Very low35.9Very low155 Ų155122.3 Ų122.368%0.6871%0.705SS**  trans-63.1114.7171.9-97.4-85.8000110.2D542 L546D542-F544 WeakPolarHBondContact OD1-CD2 3.38Å; D542-F544 WeakPolarHBondContact OD1-CE2 3.27Å; F544-L546 HydrophobicContact CB-CG 4.41Å; F544-L546 HydrophobicContact CD1-CD2 4.2Å; F544-L546 HydrophobicContact CD1-CG 4.5Å; F544-L546 PolarHBondContact O-N 3.19Å
545P44.8Very low36.8Very low89 Ų89118.2 Ų118.258%0.57869%0.686SS**  trans-90.783.3168.127.9-10.9000106.9V543 S547V543-P545 WeakPolarHBondContact O-CD 3.38Å; P545-S547 PolarHBondContact O-N 3.5Å
546L31.3Very low38.5Very low140 Ų140116.5 Ų116.573%0.73367%0.673SS**  trans-71.1124.9176.5-73.8174.6000110.5F544F544-L546 HydrophobicContact CB-CG 4.41Å; F544-L546 HydrophobicContact CD1-CD2 4.2Å; F544-L546 HydrophobicContact CD1-CG 4.5Å; F544-L546 PolarHBondContact O-N 3.19Å
547S38Very low40.1Very low96 Ų96117.9 Ų117.967%0.67167%0.674SS**  trans-44.6154.1159.6-55.80000111.5P545 P549P545-S547 PolarHBondContact O-N 3.5Å; S547-P549 WeakPolarHBondContact O-CD 3.27Å; S547-P549 VanDerWaalsContact O-N 3.1Å
548P36.3Very low41.7Very low128 Ų128117.1 Ų117.183%0.83168%0.68SS**PPolyproline II helixtrans-56.6118178.624.4-34.7000110.6
549P35.8Very low43.6Very low109 Ų109113.9 Ų113.971%0.70867%0.665SS**PPolyproline II helixtrans-72.7146.5167.4-8.926.8000108.8S547 M551S547-P549 WeakPolarHBondContact O-CD 3.27Å; S547-P549 VanDerWaalsContact O-N 3.1Å; P549-M551 PolarHBondContact O-N 3.21Å
550D33.3Very low45.5Very low153 Ų153115.2 Ų115.282%0.81866%0.663SS**PPolyproline II helixtrans-52.7137.6170-73.5-61.5000111.1S552D550-S552 PolarHBondContact O-N 3.2Å
551M37.2Very low47.6Very low195 Ų195115.5 Ų115.596%0.96166%0.66SS**SBendtrans-68.891.1-176.9-71.7-148.3-59.500112P549P549-M551 PolarHBondContact O-N 3.21Å
552S47.2Very low49.9Very low90 Ų90117.4 Ų117.463%0.62967%0.665SS**  trans-16342.5170.955.50000116.8D550D550-S552 PolarHBondContact O-N 3.2Å
553F36.8Very low52.5Low197 Ų197115.9 Ų115.986%0.86466%0.656SS**SBendtrans-131.2144.1159.4-79-72.6000112.2
554P46.8Very low55Low114 Ų114115.2 Ų115.274%0.7465%0.648SS**PPolyproline II helixtrans-71.9134.7-159.127.8-34.6000111.8S556P554-S556 PolarHBondContact O-N 3.22Å
555A48.4Very low57.9Low53 Ų53110.5 Ų110.544%0.43863%0.628SS.*PPolyproline II helixtrans-51.8141.8166.800000109.7L557 A559A555-L557 PolarHBondContact O-N 3.21Å; A555-A559 HydrophobicContact CB-CB 4.34Å
556S64.8Low60Low79 Ų79110.2 Ų110.255%0.55262%0.619SS**PPolyproline II helixtrans-53.5144.2177.368.70000109.9P554 A558 A559 Q560P554-S556 PolarHBondContact O-N 3.22Å; S556-A558 CarbonylContact O-C 3.55Å; S556-A558 PolarHBondContact O-N 3.03Å; S556-A559 WeakPolarHBondContact O-CA 3.47Å; S556-A559 WeakPolarHBondContact O-CB 3.42Å; S556-A559 PolarHBondContact O-N 3.34Å; S556-A559 WeakPolarHBondContact OG-CB 3.18Å; S556-A559 PolarHBondContact OG-N 2.87Å; S556-Q560 PolarHBondContact O-N 3.23Å
557L70.1Confident62.8Low147 Ų147108.2 Ų108.277%0.7761%0.606SS**Hα-helixtrans-51.2-35.5-174-166.677.1000112.4A555 H561A555-L557 PolarHBondContact O-N 3.21Å; L557-H561 WeakPolarHBondContact O-CB 3.33Å; L557-H561 PolarHBondContact O-N 2.95Å
558A63.9Low65.4Low74 Ų74108 Ų10861%0.61259%0.593SS**Hα-helixtrans-67.6-43.5174.300000113.5S556 H561 F562S556-A558 CarbonylContact O-C 3.55Å; S556-A558 PolarHBondContact O-N 3.03Å; A558-H561 PolarHBondContact O-N 3.1Å; A558-F562 WeakPolarHBondContact O-CB 3.35Å; A558-F562 PolarHBondContact O-N 3.18Å
559A70.6Confident68.1Low39 Ų39107.5 Ų107.532%0.32257%0.574SS.*Hα-helixtrans-66.7-38.7175.300000111.7A555 S556 F562 L563A555-A559 HydrophobicContact CB-CB 4.34Å; S556-A559 WeakPolarHBondContact O-CA 3.47Å; S556-A559 WeakPolarHBondContact O-CB 3.42Å; S556-A559 PolarHBondContact O-N 3.34Å; S556-A559 WeakPolarHBondContact OG-CB 3.18Å; S556-A559 PolarHBondContact OG-N 2.87Å; A559-F562 PolarHBondContact O-N 3.21Å; A559-L563 WeakPolarHBondContact O-CG 3.42Å; A559-L563 PolarHBondContact O-N 2.85Å
560Q78.3Confident70.8Confident101 Ų101105 Ų10547%0.47256%0.564SS.*Hα-helixtrans-65.3-42.6174.9-168.2176.412.800111.7S556 L563 L564S556-Q560 PolarHBondContact O-N 3.23Å; Q560-L563 PolarHBondContact O-N 3.43Å; Q560-L564 HydrophobicContact CG-CD1 4.34Å; Q560-L564 WeakPolarHBondContact O-CG 3.11Å; Q560-L564 PolarHBondContact O-N 3.45Å
561H79.9Confident73.6Confident128 Ų128103.1 Ų103.159%0.59355%0.548SS*.Hα-helixtrans-64.6-38.7174.3-170.5-59.9000112.2L557 A558 L564 E565L557-H561 WeakPolarHBondContact O-CB 3.33Å; L557-H561 PolarHBondContact O-N 2.95Å; A558-H561 PolarHBondContact O-N 3.1Å; H561-L564 PolarHBondContact O-N 3.35Å; H561-E565 PolarHBondContact O-N 3.43Å
562F86.8Confident76.3Confident121 Ų12199.1 Ų99.153%0.53153%0.527SS..Hα-helixtrans-63.3-46.2176.1-178.3-92.4000111.6A558 A559 L564 E565 E566A558-F562 WeakPolarHBondContact O-CB 3.35Å; A558-F562 PolarHBondContact O-N 3.18Å; A559-F562 PolarHBondContact O-N 3.21Å; F562-L564 PolarHBondContact O-N 3.37Å; F562-E565 PolarHBondContact O-N 3.11Å; F562-E566 HydrophobicContact CD1-CG 4.18Å; F562-E566 HydrophobicContact CE1-CG 3.69Å; F562-E566 HydrophobicContact CZ-CG 3.9Å; F562-E566 PolarHBondContact O-N 3.34Å
563L85.8Confident78.5Confident109 Ų10999.8 Ų99.857%0.57152%0.523SS*.Hα-helixtrans-64-39.1177.8-69.8171.2000112.4A559 Q560 E566 E567A559-L563 WeakPolarHBondContact O-CG 3.42Å; A559-L563 PolarHBondContact O-N 2.85Å; Q560-L563 PolarHBondContact O-N 3.43Å; L563-E566 PolarHBondContact O-N 3.44Å; L563-E567 WeakPolarHBondContact O-CB 3.48Å; L563-E567 PolarHBondContact O-N 3.12Å
564L88.4Confident81.3Confident102 Ų10295.9 Ų95.953%0.53451%0.507SS..Hα-helixtrans-66.6-38.7175.7-74.6168.7000112.7Q560 H561 F562 K568Q560-L564 HydrophobicContact CG-CD1 4.34Å; Q560-L564 WeakPolarHBondContact O-CG 3.11Å; Q560-L564 PolarHBondContact O-N 3.45Å; H561-L564 PolarHBondContact O-N 3.35Å; F562-L564 PolarHBondContact O-N 3.37Å; L564-K568 WeakPolarHBondContact O-CB 3.49Å; L564-K568 PolarHBondContact O-N 2.87Å
565E90.3Very high83.5Confident57 Ų5797.7 Ų97.727%0.26650%0.503SS..Hα-helixtrans-72.2-34.7176.3-166.862.7-147.300111.6H561 F562 K568 R569H561-E565 PolarHBondContact O-N 3.43Å; F562-E565 PolarHBondContact O-N 3.11Å; E565-K568 PolarHBondContact O-N 3.19Å; E565-K568 IonicContact OE1-NZ 2.98Å; E565-K568 PolarHBondContact OE1-NZ 3.32Å; E565-K568 IonicContact OE2-NZ 3.75Å; E565-K568 PolarHBondContact OE2-NZ 2.82Å; E565-R569 WeakPolarHBondContact O-CB 3.2Å; E565-R569 WeakPolarHBondContact O-CG 3.1Å; E565-R569 PolarHBondContact O-N 3.02Å
566E89.7Confident85.7Confident83 Ų83100.8 Ų100.839%0.38851%0.512SS..Hα-helixtrans-64.2-45.2169.9-80.2-61.4104.300112.3F562 L563 K568 R569 A570F562-E566 HydrophobicContact CD1-CG 4.18Å; F562-E566 HydrophobicContact CE1-CG 3.69Å; F562-E566 HydrophobicContact CZ-CG 3.9Å; F562-E566 PolarHBondContact O-N 3.34Å; L563-E566 PolarHBondContact O-N 3.44Å; E566-K568 VanDerWaalsContact C-N 3.27Å; E566-K568 PolarHBondContact O-N 3.48Å; E566-R569 PolarHBondContact O-N 2.69Å; E566-R569 IonicContact OE1-CZ 2.57Å; E566-R569 IonicContact OE1-NE 3.54Å; E566-R569 PolarHBondContact OE1-NE 3.45Å; E566-R569 IonicContact OE1-NH2 3.54Å; E566-R569 PolarHBondContact OE1-NH2 3.22Å; E566-A570 WeakPolarHBondContact O-CB 3.47Å; E566-A570 PolarHBondContact O-N 3.1Å
567E89.5Confident87.1Confident97 Ų97101.5 Ų101.545%0.45351%0.509SS..Hα-helixtrans-62.6-36.9177.1-165.1-169.5156.200111.5L563 K571L563-E567 WeakPolarHBondContact O-CB 3.48Å; L563-E567 PolarHBondContact O-N 3.12Å; E567-K571 WeakPolarHBondContact O-CG 3.23Å; E567-K571 PolarHBondContact O-N 3.43Å; E567-K571 VanDerWaalsContact O-N 3.07Å; E567-K571 WeakPolarHBondContact OE1-CE 3.43Å; E567-K571 IonicContact OE1-NZ 3.34Å; E567-K571 PolarHBondContact OE1-NZ 3.2Å
568K93.6Very high88.1Confident93 Ų9398.2 Ų98.240%0.40449%0.492SS..Hα-helixtrans-66.3-47.5173177.5178.5154.2-125.70111.9L564 E565 E566 A570 K571 E572L564-K568 WeakPolarHBondContact O-CB 3.49Å; L564-K568 PolarHBondContact O-N 2.87Å; E565-K568 PolarHBondContact O-N 3.19Å; E565-K568 IonicContact OE1-NZ 2.98Å; E565-K568 PolarHBondContact OE1-NZ 3.32Å; E565-K568 IonicContact OE2-NZ 3.75Å; E565-K568 PolarHBondContact OE2-NZ 2.82Å; E566-K568 VanDerWaalsContact C-N 3.27Å; E566-K568 PolarHBondContact O-N 3.48Å; K568-A570 VanDerWaalsContact C-N 3.3Å; K568-A570 PolarHBondContact O-N 2.95Å; K568-K571 PolarHBondContact O-N 3.16Å; K568-E572 VanDerWaalsContact CE-OE1 3.27Å; K568-E572 WeakPolarHBondContact CE-OE1 3.48Å; K568-E572 WeakPolarHBondContact O-CG 3.29Å; K568-E572 PolarHBondContact O-N 3.24Å
569R93.1Very high89.6Confident116 Ų11698.1 Ų98.144%0.43848%0.484SS..Hα-helixtrans-58.8-40.3174.7-78.7-166.5-80.2-110.65.3112E565 E566 E572 L573E565-R569 WeakPolarHBondContact O-CB 3.2Å; E565-R569 WeakPolarHBondContact O-CG 3.1Å; E565-R569 PolarHBondContact O-N 3.02Å; E566-R569 PolarHBondContact O-N 2.69Å; E566-R569 IonicContact OE1-CZ 2.57Å; E566-R569 IonicContact OE1-NE 3.54Å; E566-R569 PolarHBondContact OE1-NE 3.45Å; E566-R569 IonicContact OE1-NH2 3.54Å; E566-R569 PolarHBondContact OE1-NH2 3.22Å; R569-E572 PolarHBondContact O-N 3.06Å; R569-L573 WeakPolarHBondContact O-CB 3.24Å; R569-L573 PolarHBondContact O-N 2.98Å
570A91.6Very high90.8Very high58 Ų58101.3 Ų101.348%0.47949%0.492SS..Hα-helixtrans-61.9-45.6175.400000111.9E566 K568 L573 E574E566-A570 WeakPolarHBondContact O-CB 3.47Å; E566-A570 PolarHBondContact O-N 3.1Å; K568-A570 VanDerWaalsContact C-N 3.3Å; K568-A570 PolarHBondContact O-N 2.95Å; A570-L573 PolarHBondContact O-N 3.21Å; A570-E574 WeakPolarHBondContact O-CB 3.33Å; A570-E574 PolarHBondContact O-N 3.29Å
571K92.8Very high91.5Very high113 Ų113100 Ų10049%0.49149%0.488SS..Hα-helixtrans-66-36176.7-74.5166.4176.7169.30113.3E567 K568 K575E567-K571 WeakPolarHBondContact O-CG 3.23Å; E567-K571 PolarHBondContact O-N 3.43Å; E567-K571 VanDerWaalsContact O-N 3.07Å; E567-K571 WeakPolarHBondContact OE1-CE 3.43Å; E567-K571 IonicContact OE1-NZ 3.34Å; E567-K571 PolarHBondContact OE1-NZ 3.2Å; K568-K571 PolarHBondContact O-N 3.16Å; K571-K575 WeakPolarHBondContact O-CB 3.28Å; K571-K575 PolarHBondContact O-N 3.42Å
572E94.1Very high92.3Very high111 Ų11197.8 Ų97.852%0.51948%0.481SS..Hα-helixtrans-66.5-42.2173.9-73.9175.7-171.400111.4K568 R569 K575 L576K568-E572 VanDerWaalsContact CE-OE1 3.27Å; K568-E572 WeakPolarHBondContact CE-OE1 3.48Å; K568-E572 WeakPolarHBondContact O-CG 3.29Å; K568-E572 PolarHBondContact O-N 3.24Å; R569-E572 PolarHBondContact O-N 3.06Å; E572-K575 PolarHBondContact O-N 3.34Å; E572-L576 PolarHBondContact O-N 2.98Å
573L94Very high92.6Very high104 Ų10497.4 Ų97.455%0.54548%0.48SS..Hα-helixtrans-65.5-43.8175-176.365.5000112.2R569 A570 K575 L576 L577R569-L573 WeakPolarHBondContact O-CB 3.24Å; R569-L573 PolarHBondContact O-N 2.98Å; A570-L573 PolarHBondContact O-N 3.21Å; L573-K575 VanDerWaalsContact C-N 3.34Å; L573-K575 PolarHBondContact O-N 3.4Å; L573-L576 PolarHBondContact O-N 2.83Å; L573-L577 HydrophobicContact CG-CD1 4.12Å; L573-L577 WeakPolarHBondContact O-CB 3.28Å; L573-L577 WeakPolarHBondContact O-CG 3.31Å; L573-L577 PolarHBondContact O-N 2.97Å
574E93.9Very high93.1Very high114 Ų11496.5 Ų96.553%0.53348%0.475SS..Hα-helixtrans-58.6-45.3174.9-175.9-174.7179.100111.1A570 L576 L577 N578A570-E574 WeakPolarHBondContact O-CB 3.33Å; A570-E574 PolarHBondContact O-N 3.29Å; E574-L576 VanDerWaalsContact C-N 3.34Å; E574-L576 PolarHBondContact O-N 2.84Å; E574-L577 PolarHBondContact O-N 3.44Å; E574-N578 WeakPolarHBondContact O-CB 3.21Å; E574-N578 VanDerWaalsContact O-CG 3.3Å; E574-N578 PolarHBondContact O-N 3.44Å; E574-N578 PolarHBondContact O-ND2 3.47Å
575K93.4Very high93.2Very high152 Ų15296.7 Ų96.766%0.66147%0.474SS*.Hα-helixtrans-63.2-38.9176.6-172.2178.2-179.8-177.40112.4K571 E572 L573 T579K571-K575 WeakPolarHBondContact O-CB 3.28Å; K571-K575 PolarHBondContact O-N 3.42Å; E572-K575 PolarHBondContact O-N 3.34Å; L573-K575 VanDerWaalsContact C-N 3.34Å; L573-K575 PolarHBondContact O-N 3.4Å; K575-T579 WeakPolarHBondContact O-CB 3.44Å; K575-T579 PolarHBondContact O-N 3.37Å; K575-T579 PolarHBondContact O-OG1 3.44Å
576L95.5Very high93.4Very high118 Ų118100.7 Ų100.762%0.61849%0.486SS*.Hα-helixtrans-66.2-44.7176.2-174.565.8000111.5E572 L573 E574 T579 H580E572-L576 PolarHBondContact O-N 2.98Å; L573-L576 PolarHBondContact O-N 2.83Å; E574-L576 VanDerWaalsContact C-N 3.34Å; E574-L576 PolarHBondContact O-N 2.84Å; L576-T579 PolarHBondContact O-N 2.78Å; L576-H580 PolarHBondContact O-N 3.18Å
577L93.1Very high93.5Very high94 Ų94102.4 Ų102.449%0.49249%0.494SS..Hα-helixtrans-59.4-49.6175-79.7162.8000111.7L573 E574 T579 H580 I581L573-L577 HydrophobicContact CG-CD1 4.12Å; L573-L577 WeakPolarHBondContact O-CB 3.28Å; L573-L577 WeakPolarHBondContact O-CG 3.31Å; L573-L577 PolarHBondContact O-N 2.97Å; E574-L577 PolarHBondContact O-N 3.44Å; L577-T579 VanDerWaalsContact C-N 3.34Å; L577-T579 PolarHBondContact O-N 2.9Å; L577-H580 PolarHBondContact O-N 2.77Å; L577-H580 VanDerWaalsContact O-N 3.17Å; L577-I581 VanDerWaalsContact O-CG1 3.29Å; L577-I581 WeakPolarHBondContact O-CG1 3.37Å; L577-I581 PolarHBondContact O-N 2.96Å
578N92.4Very high93.6Very high78 Ų78101.5 Ų101.542%0.41750%0.495SS..Hα-helixtrans-60.3-42.8177.5-71.6-25.8000111.6E574 H580 I581 D582E574-N578 WeakPolarHBondContact O-CB 3.21Å; E574-N578 VanDerWaalsContact O-CG 3.3Å; E574-N578 PolarHBondContact O-N 3.44Å; E574-N578 PolarHBondContact O-ND2 3.47Å; N578-H580 VanDerWaalsContact C-N 3.31Å; N578-H580 PolarHBondContact O-N 3.13Å; N578-I581 PolarHBondContact O-N 3.37Å; N578-D582 VanDerWaalsContact O-CG 3.31Å; N578-D582 PolarHBondContact O-N 3.33Å
579T95.5Very high93.5Very high73 Ų73102.6 Ų102.645%0.44850%0.502SS..Hα-helixtrans-60.2-40.9175.9-54.40000111.9K575 L576 L577 E583K575-T579 WeakPolarHBondContact O-CB 3.44Å; K575-T579 PolarHBondContact O-N 3.37Å; K575-T579 PolarHBondContact O-OG1 3.44Å; L576-T579 PolarHBondContact O-N 2.78Å; L577-T579 VanDerWaalsContact C-N 3.34Å; L577-T579 PolarHBondContact O-N 2.9Å; T579-E583 PolarHBondContact O-N 2.82Å; T579-E583 VanDerWaalsContact O-N 3.1Å
580H94.6Very high93.5Very high105 Ų105103.5 Ų103.549%0.48651%0.509SS..Hα-helixtrans-70.3-38.4177.6-17253.1000112.4L576 L577 N578 E583 L584L576-H580 PolarHBondContact O-N 3.18Å; L577-H580 PolarHBondContact O-N 2.77Å; L577-H580 VanDerWaalsContact O-N 3.17Å; N578-H580 VanDerWaalsContact C-N 3.31Å; N578-H580 PolarHBondContact O-N 3.13Å; H580-E583 PolarHBondContact O-N 2.81Å; H580-L584 WeakPolarHBondContact O-CB 3.35Å; H580-L584 WeakPolarHBondContact O-CG 3.3Å; H580-L584 PolarHBondContact O-N 3.4Å
581I94.4Very high93.4Very high74 Ų74103 Ų10338%0.37950%0.501SS..Hα-helixtrans-61.4-46.3173.3-69.5164000110.4L577 N578 E583 L584 Q585L577-I581 VanDerWaalsContact O-CG1 3.29Å; L577-I581 WeakPolarHBondContact O-CG1 3.37Å; L577-I581 PolarHBondContact O-N 2.96Å; N578-I581 PolarHBondContact O-N 3.37Å; I581-E583 VanDerWaalsContact C-N 3.26Å; I581-E583 PolarHBondContact O-N 3.49Å; I581-L584 PolarHBondContact O-N 2.76Å; I581-Q585 HydrophobicContact CG2-CG 4.44Å; I581-Q585 WeakPolarHBondContact O-CB 3.34Å; I581-Q585 VanDerWaalsContact O-CG 3.32Å; I581-Q585 WeakPolarHBondContact O-CG 3.38Å; I581-Q585 PolarHBondContact O-N 2.89Å
582D94.9Very high93.1Very high82 Ų82103 Ų10344%0.43951%0.505SS..Hα-helixtrans-62.1-32.9176.8-70.8-15.6000112.6N578 R586N578-D582 VanDerWaalsContact O-CG 3.31Å; N578-D582 PolarHBondContact O-N 3.33Å; D582-R586 WeakPolarHBondContact O-CB 3.3Å; D582-R586 WeakPolarHBondContact O-CG 3.39Å; D582-R586 PolarHBondContact O-N 3.46Å; D582-R586 PolarHBondContact O-NE 3.26Å
583E95Very high92.7Very high112 Ų112101.9 Ų101.952%0.52350%0.503SS..Hα-helixtrans-74.4-42.4176-173165.6-134.800112T579 H580 I581 Q585 R586 H587T579-E583 PolarHBondContact O-N 2.82Å; T579-E583 VanDerWaalsContact O-N 3.1Å; H580-E583 PolarHBondContact O-N 2.81Å; I581-E583 VanDerWaalsContact C-N 3.26Å; I581-E583 PolarHBondContact O-N 3.49Å; E583-Q585 VanDerWaalsContact C-N 3.34Å; E583-R586 PolarHBondContact O-N 2.88Å; E583-H587 WeakPolarHBondContact O-CB 3.38Å; E583-H587 PolarHBondContact O-N 3.38Å
584L94.3Very high92.4Very high90 Ų90102.5 Ų102.547%0.47150%0.501SS..Hα-helixtrans-62.5-39.8172.4-73.9171.9000112.1H580 I581 H587 T588H580-L584 WeakPolarHBondContact O-CB 3.35Å; H580-L584 WeakPolarHBondContact O-CG 3.3Å; H580-L584 PolarHBondContact O-N 3.4Å; I581-L584 PolarHBondContact O-N 2.76Å; L584-H587 PolarHBondContact O-N 3.49Å; L584-T588 VanDerWaalsContact O-CB 3.31Å; L584-T588 WeakPolarHBondContact O-CB 3.25Å; L584-T588 PolarHBondContact O-N 2.9Å; L584-T588 PolarHBondContact O-OG1 3.17Å
585Q91.1Very high91.7Very high107 Ų107104.5 Ų104.550%0.551%0.505SS..Hα-helixtrans-63.2-50.8173.8-74.2179.512.400110.7I581 E583 H587 T588 E589I581-Q585 HydrophobicContact CG2-CG 4.44Å; I581-Q585 WeakPolarHBondContact O-CB 3.34Å; I581-Q585 VanDerWaalsContact O-CG 3.32Å; I581-Q585 WeakPolarHBondContact O-CG 3.38Å; I581-Q585 PolarHBondContact O-N 2.89Å; E583-Q585 VanDerWaalsContact C-N 3.34Å; Q585-H587 VanDerWaalsContact C-N 3.32Å; Q585-H587 PolarHBondContact O-N 3.41Å; Q585-T588 CarbonylContact O-C 3.55Å; Q585-T588 WeakPolarHBondContact O-CB 3.18Å; Q585-T588 PolarHBondContact O-N 2.75Å; Q585-T588 VanDerWaalsContact O-N 3.11Å; Q585-E589 WeakPolarHBondContact O-CG 3.23Å; Q585-E589 PolarHBondContact O-N 2.93Å
586R94Very high90.9Very high140 Ų140100.5 Ų100.553%0.52850%0.496SS..Hα-helixtrans-58.4-40.2175.3-81.3176.2-73.8142.3-4.5113D582 E583 F590D582-R586 WeakPolarHBondContact O-CB 3.3Å; D582-R586 WeakPolarHBondContact O-CG 3.39Å; D582-R586 PolarHBondContact O-N 3.46Å; D582-R586 PolarHBondContact O-NE 3.26Å; E583-R586 PolarHBondContact O-N 2.88Å; R586-F590 VanDerWaalsContact O-CB 3.23Å; R586-F590 WeakPolarHBondContact O-CB 3.22Å; R586-F590 PolarHBondContact O-N 3.46Å
587H92.5Very high89.2Confident120 Ų120102.8 Ų102.856%0.55650%0.501SS*.Hα-helixtrans-66.8-39.3176.2-172.4-85.5000111.8E583 L584 Q585 T591E583-H587 WeakPolarHBondContact O-CB 3.38Å; E583-H587 PolarHBondContact O-N 3.38Å; L584-H587 PolarHBondContact O-N 3.49Å; Q585-H587 VanDerWaalsContact C-N 3.32Å; Q585-H587 PolarHBondContact O-N 3.41Å; H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.29Å; H587-T591 PolarHBondContact O-N 3.46Å; H587-T591 PolarHBondContact O-OG1 3.4Å
588T92.5Very high87.4Confident78 Ų78105 Ų10548%0.47951%0.513SS..Hα-helixtrans-65-47.3175.2-59.20000111.1L584 Q585 T591 L592L584-T588 VanDerWaalsContact O-CB 3.31Å; L584-T588 WeakPolarHBondContact O-CB 3.25Å; L584-T588 PolarHBondContact O-N 2.9Å; L584-T588 PolarHBondContact O-OG1 3.17Å; Q585-T588 CarbonylContact O-C 3.55Å; Q585-T588 WeakPolarHBondContact O-CB 3.18Å; Q585-T588 PolarHBondContact O-N 2.75Å; Q585-T588 VanDerWaalsContact O-N 3.11Å; T588-T591 WeakPolarHBondContact O-CB 3.39Å; T588-T591 PolarHBondContact O-N 2.99Å; T588-L592 HydrophobicContact CG2-CD1 3.99Å; T588-L592 HydrophobicContact CG2-CG 4.47Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 WeakPolarHBondContact O-CG 3.41Å; T588-L592 PolarHBondContact O-N 2.9Å
589E91.4Very high85.1Confident116 Ų116113.6 Ų113.654%0.54255%0.546SS..Hα-helixtrans-63-42175.7-73.6-173.9169.900112.7Q585 T591 L592 N593Q585-E589 WeakPolarHBondContact O-CG 3.23Å; Q585-E589 PolarHBondContact O-N 2.93Å; E589-T591 VanDerWaalsContact C-N 3.33Å; E589-L592 PolarHBondContact O-N 2.84Å; E589-N593 VanDerWaalsContact O-CB 3.25Å; E589-N593 WeakPolarHBondContact O-CB 3.26Å; E589-N593 PolarHBondContact O-N 2.77Å; E589-N593 PolarHBondContact O-ND2 2.74Å; E589-N593 VanDerWaalsContact O-ND2 3.1Å
590F92.4Very high84.6Confident135 Ų135115.6 Ų115.659%0.59255%0.551SS**Hα-helixtrans-60.7-44.6174.3175.8-98.5000111.1R586 N593 K594R586-F590 VanDerWaalsContact O-CB 3.23Å; R586-F590 WeakPolarHBondContact O-CB 3.22Å; R586-F590 PolarHBondContact O-N 3.46Å; F590-N593 PolarHBondContact O-N 3.31Å; F590-K594 HydrophobicContact CE1-CD 4.49Å; F590-K594 VanDerWaalsContact O-CB 3.29Å; F590-K594 WeakPolarHBondContact O-CB 3.41Å; F590-K594 PolarHBondContact O-N 2.81Å
591T89.9Confident84.1Confident48 Ų48116.2 Ų116.229%0.29456%0.555SS.*Hα-helixtrans-62.6-50.1177.1-59.90000110.6H587 T588 E589 N593 K594 Y595H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.29Å; H587-T591 PolarHBondContact O-N 3.46Å; H587-T591 PolarHBondContact O-OG1 3.4Å; T588-T591 WeakPolarHBondContact O-CB 3.39Å; T588-T591 PolarHBondContact O-N 2.99Å; E589-T591 VanDerWaalsContact C-N 3.33Å; T591-N593 PolarHBondContact O-N 2.86Å; T591-K594 WeakPolarHBondContact O-CB 3.23Å; T591-K594 PolarHBondContact O-N 2.94Å; T591-Y595 HydrophobicContact CG2-CD2 3.89Å; T591-Y595 HydrophobicContact CG2-CE2 3.86Å; T591-Y595 WeakPolarHBondContact O-CD2 3.43Å; T591-Y595 PolarHBondContact O-N 2.85Å; T591-Y595 VanDerWaalsContact O-N 3.1Å
592L86.8Confident83.5Confident113 Ų113118.5 Ų118.559%0.59256%0.564SS**Hα-helixtrans-59-46.8177.2-73.7170.4000111.7T588 E589 K594 Y595 S596T588-L592 HydrophobicContact CG2-CD1 3.99Å; T588-L592 HydrophobicContact CG2-CG 4.47Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 WeakPolarHBondContact O-CG 3.41Å; T588-L592 PolarHBondContact O-N 2.9Å; E589-L592 PolarHBondContact O-N 2.84Å; L592-K594 VanDerWaalsContact C-N 3.31Å; L592-K594 PolarHBondContact O-N 2.81Å; L592-Y595 PolarHBondContact O-N 3.4Å; L592-S596 VanDerWaalsContact O-CB 3.3Å; L592-S596 WeakPolarHBondContact O-CB 3.35Å; L592-S596 PolarHBondContact O-N 2.93Å; L592-S596 PolarHBondContact O-OG 2.92Å; L592-S596 VanDerWaalsContact O-OG 3.06Å
593N86.1Confident82.8Confident87 Ų87120.6 Ų120.647%0.46557%0.572SS.*Hα-helixtrans-64.8-31.7177.2-83-49.3000113.5E589 F590 T591 S596 K597E589-N593 VanDerWaalsContact O-CB 3.25Å; E589-N593 WeakPolarHBondContact O-CB 3.26Å; E589-N593 PolarHBondContact O-N 2.77Å; E589-N593 PolarHBondContact O-ND2 2.74Å; E589-N593 VanDerWaalsContact O-ND2 3.1Å; F590-N593 PolarHBondContact O-N 3.31Å; T591-N593 PolarHBondContact O-N 2.86Å; N593-S596 WeakPolarHBondContact CA-OG 3.29Å; N593-S596 PolarHBondContact O-OG 3.11Å; N593-K597 WeakPolarHBondContact O-CB 3.43Å; N593-K597 WeakPolarHBondContact O-CG 3.44Å; N593-K597 PolarHBondContact O-N 2.79Å
594K86.2Confident82.1Confident116 Ų116121.2 Ų121.250%0.50458%0.575SS.*Hα-helixtrans-67.4-40.7174.6-175.9-178.8179.8-176.10111.4F590 T591 L592 L598F590-K594 HydrophobicContact CE1-CD 4.49Å; F590-K594 VanDerWaalsContact O-CB 3.29Å; F590-K594 WeakPolarHBondContact O-CB 3.41Å; F590-K594 PolarHBondContact O-N 2.81Å; T591-K594 WeakPolarHBondContact O-CB 3.23Å; T591-K594 PolarHBondContact O-N 2.94Å; L592-K594 VanDerWaalsContact C-N 3.31Å; L592-K594 PolarHBondContact O-N 2.81Å; K594-L598 WeakPolarHBondContact O-CD1 3.42Å
595Y79.5Confident81.3Confident156 Ų156123.3 Ų123.361%0.61258%0.582SS**Hα-helixtrans-88.3-22.5-178.8-69.7-69.9000114.2T591 L592 L598T591-Y595 HydrophobicContact CG2-CD2 3.89Å; T591-Y595 HydrophobicContact CG2-CE2 3.86Å; T591-Y595 WeakPolarHBondContact O-CD2 3.43Å; T591-Y595 PolarHBondContact O-N 2.85Å; T591-Y595 VanDerWaalsContact O-N 3.1Å; L592-Y595 PolarHBondContact O-N 3.4Å; Y595-L598 PolarHBondContact O-N 2.74Å
596S76.3Confident80.5Confident69 Ų69124.4 Ų124.448%0.48359%0.587SS.*Hα-helixtrans-77.5-26174.765.80000113.4L592 N593 L598L592-S596 VanDerWaalsContact O-CB 3.3Å; L592-S596 WeakPolarHBondContact O-CB 3.35Å; L592-S596 PolarHBondContact O-N 2.93Å; L592-S596 PolarHBondContact O-OG 2.92Å; L592-S596 VanDerWaalsContact O-OG 3.06Å; N593-S596 WeakPolarHBondContact CA-OG 3.29Å; N593-S596 PolarHBondContact O-OG 3.11Å; S596-L598 VanDerWaalsContact C-N 3.26Å; S596-L598 PolarHBondContact O-N 2.94Å
597K60.3Low79.5Confident166 Ų166123.2 Ų123.272%0.72259%0.592SS**THydrogen-bonded Turntrans-80.22.4171.6-70.3-179.9-179.9-178.90114.6N593N593-K597 WeakPolarHBondContact O-CB 3.43Å; N593-K597 WeakPolarHBondContact O-CG 3.44Å; N593-K597 PolarHBondContact O-N 2.79Å
598L56Low78.4Confident141 Ų141123.5 Ų123.574%0.73860%0.595SS**THydrogen-bonded Turntrans-101.517174.6-101.983.1000113K594 Y595 S596K594-L598 WeakPolarHBondContact O-CD1 3.42Å; Y595-L598 PolarHBondContact O-N 2.74Å; S596-L598 VanDerWaalsContact C-N 3.26Å; S596-L598 PolarHBondContact O-N 2.94Å
599K43.8Very low77.2Confident257 Ų257127.6 Ų127.6100%1.11761%0.606SS**  trans-114.90164.3-82.2-174.5174.1-179.80109.8

Retrieved 599 of 599 residues in 461.4 ms (Link to these results)