A0A087XYC8_POEFO Loading...

Shugoshin 1

AlphaFold DB , UniProt , Accession A0A087XYC8, Species POEFO (Poecilia formosa, Amazon molly), Gene SGO1, Length 628 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
1M43.4Very low64.8Low238 Ų238171.5 Ų171.5100%1.17280%0.801SS**  0117.10-66.5-175.2-74.600108.5
2V43.3Very low66.9Low149 Ų149168.8 Ų168.890%0.90379%0.789SS**  trans-75.3131.2176179.30000108.6E4V2-E4 PolarHBondContact O-N 3.01Å
3R52.7Low68.5Low235 Ų235162.8 Ų162.889%0.88776%0.761SS**  trans-83.1102.5172.5-73.2-175.2176.5179.2-0109R5R3-R5 PolarHBondContact O-N 3.32Å
4E60.3Low70.3Confident182 Ų182154.9 Ų154.985%0.8573%0.733SS**  trans-56.5119174.7-171.2174.4-165.200110.3V2 V6V2-E4 PolarHBondContact O-N 3.01Å; E4-V6 PolarHBondContact O-N 3.43Å
5R54.7Low71.8Confident231 Ų231149.1 Ų149.187%0.87271%0.707SS**  trans-83.799.4179.4-68.9-177.8178.9-178.20.2108.4R3 Q7R3-R5 PolarHBondContact O-N 3.32Å; R5-Q7 PolarHBondContact O-N 3.45Å
6V59.8Low73.1Confident137 Ų137146.5 Ų146.583%0.8370%0.695SS**  trans-51110.7172.3-179.90000109.1E4 K8E4-V6 PolarHBondContact O-N 3.43Å; V6-K8 PolarHBondContact O-N 3.42Å
7Q68.4Low74.3Confident180 Ų180140.6 Ų140.684%0.84167%0.669SS**PPolyproline II helixtrans-65.9131.2179.7-64.3-175.32.600109R5 K9R5-Q7 PolarHBondContact O-N 3.45Å; Q7-K9 PolarHBondContact O-N 3.1Å
8K75.3Confident75.3Confident204 Ų204137.9 Ų137.989%0.88766%0.658SS**PPolyproline II helixtrans-70.3117.6174.3-66.1179.5-179.61780107.8V6V6-K8 PolarHBondContact O-N 3.42Å
9K81.8Confident76.4Confident120 Ų120137.6 Ų137.652%0.52265%0.653SS.*PPolyproline II helixtrans-47.7143.6170-74.5-168.5170.6-168.30110.2Q7 Q13 D17Q7-K9 PolarHBondContact O-N 3.1Å; K9-Q13 HydrophobicContact CB-CB 4.22Å; K9-D17 IonicContact NZ-OD1 2.7Å; K9-D17 PolarHBondContact NZ-OD1 2.94Å; K9-D17 IonicContact NZ-OD2 2.7Å; K9-D17 PolarHBondContact NZ-OD2 3.47Å
10S86.4Confident77.3Confident50 Ų50137.5 Ų137.535%0.3565%0.652SS.*PPolyproline II helixtrans-63.5157.8176.382.30000110.9Q12 Q13 S14S10-Q12 PolarHBondContact O-N 3.07Å; S10-Q13 PolarHBondContact O-N 2.89Å; S10-Q13 WeakPolarHBondContact OG-CG 3.35Å; S10-Q13 PolarHBondContact OG-N 3.11Å; S10-Q13 VanDerWaalsContact OG-N 3.14Å; S10-S14 PolarHBondContact O-N 3.28Å
11F86.8Confident78.1Confident160 Ų160138.6 Ų138.670%0.70265%0.65SS**Hα-helixtrans-59-37.2177.1179-111.6000111.9S14 L15F11-S14 PolarHBondContact O-N 3.45Å; F11-L15 HydrophobicContact CD1-CD1 4.12Å; F11-L15 HydrophobicContact CE1-CD1 3.6Å; F11-L15 HydrophobicContact CE1-CG 4.26Å; F11-L15 HydrophobicContact CE2-CG 4.45Å; F11-L15 HydrophobicContact CZ-CD1 3.88Å; F11-L15 HydrophobicContact CZ-CD2 4.27Å; F11-L15 HydrophobicContact CZ-CG 4.17Å; F11-L15 WeakPolarHBondContact O-CG 3.48Å; F11-L15 PolarHBondContact O-N 3.08Å
12Q89.8Confident80.6Confident139 Ų139131.5 Ų131.565%0.6562%0.615SS**Hα-helixtrans-62.9-49.1174.7-71.1167-31.100111.7S10 S14 L15 E16S10-Q12 PolarHBondContact O-N 3.07Å; Q12-S14 PolarHBondContact O-N 3Å; Q12-L15 CarbonylContact O-C 3.6Å; Q12-L15 WeakPolarHBondContact O-CA 3.24Å; Q12-L15 WeakPolarHBondContact O-CB 3.49Å; Q12-L15 PolarHBondContact O-N 3.25Å; Q12-E16 WeakPolarHBondContact O-CG 3.41Å; Q12-E16 PolarHBondContact O-N 3.29Å
13Q88.4Confident83Confident92 Ų92131.1 Ų131.143%0.4360%0.601SS.*Hα-helixtrans-58.6-36.4174.6-72.4168.9-14.200112.2K9 S10 E16 D17K9-Q13 HydrophobicContact CB-CB 4.22Å; S10-Q13 PolarHBondContact O-N 2.89Å; S10-Q13 WeakPolarHBondContact OG-CG 3.35Å; S10-Q13 PolarHBondContact OG-N 3.11Å; S10-Q13 VanDerWaalsContact OG-N 3.14Å; Q13-E16 PolarHBondContact O-N 3.03Å; Q13-D17 WeakPolarHBondContact O-CB 3.47Å; Q13-D17 PolarHBondContact O-N 3.48Å
14S92.6Very high84.9Confident52 Ų52124.4 Ų124.436%0.36458%0.58SS.*Hα-helixtrans-67.7-38175-170.20000112.5S10 F11 Q12 E16 I18S10-S14 PolarHBondContact O-N 3.28Å; F11-S14 PolarHBondContact O-N 3.45Å; Q12-S14 PolarHBondContact O-N 3Å; S14-E16 VanDerWaalsContact C-N 3.34Å; S14-I18 WeakPolarHBondContact O-CB 3.42Å; S14-I18 WeakPolarHBondContact O-CD1 3.36Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 2.73Å; S14-I18 VanDerWaalsContact O-N 3.11Å
15L94.1Very high86.6Confident67 Ų67121.5 Ų121.535%0.35156%0.564SS.*Hα-helixtrans-68.8-32.3172.4-68.2179.4000112.4F11 Q12 K19F11-L15 HydrophobicContact CD1-CD1 4.12Å; F11-L15 HydrophobicContact CE1-CD1 3.6Å; F11-L15 HydrophobicContact CE1-CG 4.26Å; F11-L15 HydrophobicContact CE2-CG 4.45Å; F11-L15 HydrophobicContact CZ-CD1 3.88Å; F11-L15 HydrophobicContact CZ-CD2 4.27Å; F11-L15 HydrophobicContact CZ-CG 4.17Å; F11-L15 WeakPolarHBondContact O-CG 3.48Å; F11-L15 PolarHBondContact O-N 3.08Å; Q12-L15 CarbonylContact O-C 3.6Å; Q12-L15 WeakPolarHBondContact O-CA 3.24Å; Q12-L15 WeakPolarHBondContact O-CB 3.49Å; Q12-L15 PolarHBondContact O-N 3.25Å; L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 WeakPolarHBondContact O-CD 3.42Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 2.76Å
16E92.1Very high88.4Confident108 Ų108117.3 Ų117.351%0.50555%0.549SS..Hα-helixtrans-69-50.5174.4-75.1150.4-162.900111.5Q12 Q13 S14 I18 K19 E20Q12-E16 WeakPolarHBondContact O-CG 3.41Å; Q12-E16 PolarHBondContact O-N 3.29Å; Q13-E16 PolarHBondContact O-N 3.03Å; S14-E16 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 2.85Å; E16-K19 PolarHBondContact O-N 2.94Å; E16-K19 VanDerWaalsContact O-N 3.1Å; E16-E20 WeakPolarHBondContact O-CB 3.42Å; E16-E20 PolarHBondContact O-N 3.34Å
17D92.8Very high89.9Confident47 Ų47116 Ų11625%0.25154%0.537SS..Hα-helixtrans-48.2-43.5169.4-86.825.1000111.6K9 Q13 R21K9-D17 IonicContact NZ-OD1 2.7Å; K9-D17 PolarHBondContact NZ-OD1 2.94Å; K9-D17 IonicContact NZ-OD2 2.7Å; K9-D17 PolarHBondContact NZ-OD2 3.47Å; Q13-D17 WeakPolarHBondContact O-CB 3.47Å; Q13-D17 PolarHBondContact O-N 3.48Å; D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 VanDerWaalsContact O-CG 3.25Å; D17-R21 WeakPolarHBondContact O-CG 3.48Å; D17-R21 PolarHBondContact O-N 3.36Å
18I93.8Very high91Very high92 Ų92113.1 Ų113.147%0.47252%0.521SS..Hα-helixtrans-71.9-43.7-179.7-70.7166000111.4S14 E16 E20 R21 M22S14-I18 WeakPolarHBondContact O-CB 3.42Å; S14-I18 WeakPolarHBondContact O-CD1 3.36Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 2.73Å; S14-I18 VanDerWaalsContact O-N 3.11Å; E16-I18 PolarHBondContact O-N 2.85Å; I18-E20 VanDerWaalsContact C-N 3.34Å; I18-R21 PolarHBondContact O-N 2.95Å; I18-M22 WeakPolarHBondContact O-CB 3.3Å; I18-M22 VanDerWaalsContact O-CG 3.3Å; I18-M22 WeakPolarHBondContact O-CG 3.49Å; I18-M22 PolarHBondContact O-N 3.12Å
19K95.5Very high91.6Very high131 Ų131109.7 Ų109.757%0.5751%0.509SS*.Hα-helixtrans-61.7-42.4175.2-76.1165.6-176.51740111.1L15 E16 M22 K23L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 WeakPolarHBondContact O-CD 3.42Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 2.76Å; E16-K19 PolarHBondContact O-N 2.94Å; E16-K19 VanDerWaalsContact O-N 3.1Å; K19-M22 PolarHBondContact O-N 3.19Å; K19-K23 WeakPolarHBondContact O-CG 3.39Å; K19-K23 PolarHBondContact O-N 3.21Å
20E93.8Very high91.8Very high135 Ų135109.6 Ų109.663%0.63151%0.513SS*.Hα-helixtrans-62.9-52.8176.1-174.9179.2-150.900111E16 I18 M22 K23 E24E16-E20 WeakPolarHBondContact O-CB 3.42Å; E16-E20 PolarHBondContact O-N 3.34Å; I18-E20 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.43Å; E20-M22 VanDerWaalsContact O-N 3.13Å; E20-K23 CarbonylContact O-C 3.54Å; E20-K23 WeakPolarHBondContact O-CA 3.48Å; E20-K23 WeakPolarHBondContact O-CB 3.42Å; E20-K23 PolarHBondContact O-N 2.89Å; E20-E24 PolarHBondContact O-N 2.91Å
21R94.3Very high91.7Very high162 Ų162110 Ų11061%0.61152%0.52SS*.Hα-helixtrans-56-31.5174.7-76.5173171.2-168-1.4113D17 I18 K25D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 VanDerWaalsContact O-CG 3.25Å; D17-R21 WeakPolarHBondContact O-CG 3.48Å; D17-R21 PolarHBondContact O-N 3.36Å; I18-R21 PolarHBondContact O-N 2.95Å; R21-K25 VanDerWaalsContact O-CB 3.28Å; R21-K25 WeakPolarHBondContact O-CB 3.39Å; R21-K25 WeakPolarHBondContact O-CG 3.47Å; R21-K25 PolarHBondContact O-N 2.88Å
22M95.8Very high91.2Very high88 Ų88108.2 Ų108.243%0.43352%0.518SS..Hα-helixtrans-78-23.2174.3-74.6-63.9-68.300114I18 K19 E20 K25 R26I18-M22 WeakPolarHBondContact O-CB 3.3Å; I18-M22 VanDerWaalsContact O-CG 3.3Å; I18-M22 WeakPolarHBondContact O-CG 3.49Å; I18-M22 PolarHBondContact O-N 3.12Å; K19-M22 PolarHBondContact O-N 3.19Å; E20-M22 PolarHBondContact O-N 3.43Å; E20-M22 VanDerWaalsContact O-N 3.13Å; M22-K25 HydrophobicContact SD-CD 4.49Å; M22-R26 WeakPolarHBondContact O-CG 3.29Å; M22-R26 PolarHBondContact O-NH1 3.3Å
23K94.1Very high90.5Very high141 Ų141105.6 Ų105.661%0.61352%0.519SS*.Hα-helixtrans-77.3-49.2166.9-69.6177.5-176.5-176.70110.5K19 E20 K25 R26 N27K19-K23 WeakPolarHBondContact O-CG 3.39Å; K19-K23 PolarHBondContact O-N 3.21Å; E20-K23 CarbonylContact O-C 3.54Å; E20-K23 WeakPolarHBondContact O-CA 3.48Å; E20-K23 WeakPolarHBondContact O-CB 3.42Å; E20-K23 PolarHBondContact O-N 2.89Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K23-K25 PolarHBondContact O-N 3.34Å; K23-R26 WeakPolarHBondContact O-CB 3.4Å; K23-R26 PolarHBondContact O-N 3.35Å; K23-N27 PolarHBondContact O-N 3.02Å; K23-N27 PolarHBondContact O-OD1 3.3Å
24E92.9Very high89.8Confident95 Ų95105.3 Ų105.344%0.44453%0.533SS..Hα-helixtrans-53.5-49.1176.7-167.1-133.1146.700111.1E20 R26 N27 K28E20-E24 PolarHBondContact O-N 2.91Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-R26 PolarHBondContact O-N 3.35Å; E24-N27 PolarHBondContact O-N 3.22Å; E24-K28 WeakPolarHBondContact O-CB 3.41Å; E24-K28 PolarHBondContact O-N 3.13Å; E24-K28 IonicContact OE1-NZ 3.1Å; E24-K28 PolarHBondContact OE1-NZ 3.46Å; E24-K28 VanDerWaalsContact OE1-NZ 3.1Å
25K95.1Very high88.9Confident120 Ų120105.3 Ų105.352%0.52254%0.536SS..Hα-helixtrans-59.8-33.4176.8-79.6175.2179.7-179.30114.1R21 M22 K23 Q29R21-K25 VanDerWaalsContact O-CB 3.28Å; R21-K25 WeakPolarHBondContact O-CB 3.39Å; R21-K25 WeakPolarHBondContact O-CG 3.47Å; R21-K25 PolarHBondContact O-N 2.88Å; M22-K25 HydrophobicContact SD-CD 4.49Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K23-K25 PolarHBondContact O-N 3.34Å; K25-Q29 VanDerWaalsContact O-CG 3.3Å; K25-Q29 WeakPolarHBondContact O-CG 3.46Å; K25-Q29 PolarHBondContact O-N 3.44Å; K25-Q29 PolarHBondContact O-NE2 2.9Å
26R93.1Very high87.5Confident144 Ų144107 Ų10754%0.54355%0.551SS.*Hα-helixtrans-73.2-50.3174.8-74.5-178.6-175.999.5-15.1110.4M22 K23 E24 K28 Q29 L30M22-R26 WeakPolarHBondContact O-CG 3.29Å; M22-R26 PolarHBondContact O-NH1 3.3Å; K23-R26 WeakPolarHBondContact O-CB 3.4Å; K23-R26 PolarHBondContact O-N 3.35Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-R26 PolarHBondContact O-N 3.35Å; R26-K28 VanDerWaalsContact C-N 3.27Å; R26-K28 PolarHBondContact O-N 2.91Å; R26-Q29 WeakPolarHBondContact O-CB 3.34Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-L30 WeakPolarHBondContact O-CG 3.48Å; R26-L30 PolarHBondContact O-N 3Å
27N91.8Very high86.1Confident109 Ų109106.3 Ų106.358%0.58356%0.558SS**Hα-helixtrans-60-38.8-179.8-67.67.1000111.5K23 E24 L30 A31K23-N27 PolarHBondContact O-N 3.02Å; K23-N27 PolarHBondContact O-OD1 3.3Å; E24-N27 PolarHBondContact O-N 3.22Å; N27-L30 PolarHBondContact O-N 3.43Å; N27-A31 WeakPolarHBondContact O-CB 3.4Å; N27-A31 PolarHBondContact O-N 2.91Å
28K90.8Very high84.5Confident119 Ų119115.5 Ų115.552%0.51759%0.589SS.*Hα-helixtrans-67.5-35.2175.1-162.9171.1-156.4154.60113E24 R26 N32E24-K28 WeakPolarHBondContact O-CB 3.41Å; E24-K28 PolarHBondContact O-N 3.13Å; E24-K28 IonicContact OE1-NZ 3.1Å; E24-K28 PolarHBondContact OE1-NZ 3.46Å; E24-K28 VanDerWaalsContact OE1-NZ 3.1Å; R26-K28 VanDerWaalsContact C-N 3.27Å; R26-K28 PolarHBondContact O-N 2.91Å; K28-N32 VanDerWaalsContact O-CB 3.3Å; K28-N32 WeakPolarHBondContact O-CB 3.47Å; K28-N32 PolarHBondContact O-N 2.87Å; K28-N32 PolarHBondContact O-ND2 3.43Å; K28-N32 VanDerWaalsContact O-ND2 3.13Å
29Q88.3Confident82.9Confident132 Ų132114.5 Ų114.562%0.61760%0.602SS**Hα-helixtrans-70.1-42.1172.1-78.9173.57100112K25 R26 N32 A33K25-Q29 VanDerWaalsContact O-CG 3.3Å; K25-Q29 WeakPolarHBondContact O-CG 3.46Å; K25-Q29 PolarHBondContact O-N 3.44Å; K25-Q29 PolarHBondContact O-NE2 2.9Å; R26-Q29 WeakPolarHBondContact O-CB 3.34Å; R26-Q29 PolarHBondContact O-N 2.95Å; Q29-N32 PolarHBondContact O-N 3.24Å; Q29-A33 WeakPolarHBondContact O-CB 3.4Å; Q29-A33 PolarHBondContact O-N 3.02Å
30L86.5Confident80.9Confident118 Ų118119.2 Ų119.262%0.61862%0.616SS**Hα-helixtrans-62.4-45.3174.7-68.7171.3000111.3R26 N27 N32 A33 A34R26-L30 WeakPolarHBondContact O-CG 3.48Å; R26-L30 PolarHBondContact O-N 3Å; N27-L30 PolarHBondContact O-N 3.43Å; L30-N32 PolarHBondContact O-N 3.39Å; L30-A33 PolarHBondContact O-N 2.75Å; L30-A33 VanDerWaalsContact O-N 3.15Å; L30-A34 WeakPolarHBondContact O-CB 3.49Å; L30-A34 PolarHBondContact O-N 2.98Å
31A82.6Confident78.9Confident59 Ų59117.9 Ų117.949%0.48862%0.622SS.*Hα-helixtrans-60.5-42.817400000112.2N27 A33 A34 A35N27-A31 WeakPolarHBondContact O-CB 3.4Å; N27-A31 PolarHBondContact O-N 2.91Å; A31-A33 VanDerWaalsContact C-N 3.28Å; A31-A33 PolarHBondContact O-N 3.46Å; A31-A34 PolarHBondContact O-N 3.38Å; A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 3.01Å
32N77.1Confident77.2Confident123 Ų123119.8 Ų119.866%0.65863%0.629SS**Hα-helixtrans-67.8-23.8175.6-73.8-23.1000113.8K28 Q29 L30K28-N32 VanDerWaalsContact O-CB 3.3Å; K28-N32 WeakPolarHBondContact O-CB 3.47Å; K28-N32 PolarHBondContact O-N 2.87Å; K28-N32 PolarHBondContact O-ND2 3.43Å; K28-N32 VanDerWaalsContact O-ND2 3.13Å; Q29-N32 PolarHBondContact O-N 3.24Å; L30-N32 PolarHBondContact O-N 3.39Å
33A75.8Confident75.3Confident83 Ų83123.1 Ų123.169%0.68665%0.645SS**Hα-helixtrans-86.9-35.1176.100000112.6Q29 L30 A31Q29-A33 WeakPolarHBondContact O-CB 3.4Å; Q29-A33 PolarHBondContact O-N 3.02Å; L30-A33 PolarHBondContact O-N 2.75Å; L30-A33 VanDerWaalsContact O-N 3.15Å; A31-A33 VanDerWaalsContact C-N 3.28Å; A31-A33 PolarHBondContact O-N 3.46Å
34A73.1Confident73.8Confident86 Ų86123.4 Ų123.471%0.71165%0.651SS**Hα-helixtrans-77.9-23.3174.600000112.9L30 A31L30-A34 WeakPolarHBondContact O-CB 3.49Å; L30-A34 PolarHBondContact O-N 2.98Å; A31-A34 PolarHBondContact O-N 3.38Å
35A73.8Confident72Confident52 Ų52125.3 Ų125.343%0.4366%0.664SS.*SBendtrans-58.1121.5174.100000110.5A31 S37A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 3.01Å; A35-S37 PolarHBondContact O-N 3.2Å
36P65.2Low70.3Confident103 Ų103128.9 Ų128.967%0.66968%0.679SS**  trans-61127-179.524.7-33.6000109.1R38P36-R38 PolarHBondContact O-N 2.95Å
37S61.5Low68.5Low94 Ų94127.2 Ų127.266%0.65769%0.685SS**  trans-73.260.9-162.472.60000114.7A35 G39A35-S37 PolarHBondContact O-N 3.2Å; S37-G39 PolarHBondContact O-N 3.29Å
38R59.8Low66.8Low239 Ų239128 Ų12890%0.90269%0.694SS**SBendtrans-71.283.6176.2-67.2-178.1178.1-178.20.7110.3P36P36-R38 PolarHBondContact O-N 2.95Å
39G60.2Low65.1Low71 Ų71126.2 Ų126.273%0.73270%0.701SS**SBendtrans127.6-5.9164.100000117.3S37 S41S37-G39 PolarHBondContact O-N 3.29Å; G39-S41 PolarHBondContact O-N 3.11Å
40R52.8Low63.6Low230 Ų230123.8 Ų123.887%0.86870%0.699SS**  trans-74.885.2169.3-156.1175.5-151.6-139.43.7109.3R42R40-R42 PolarHBondContact O-N 3.12Å
41S53.3Low62.5Low108 Ų108121.7 Ų121.776%0.75570%0.695SS**  trans-54.4103.7-179.8-173.80000110.3G39 M43G39-S41 PolarHBondContact O-N 3.11Å; S41-M43 PolarHBondContact O-N 3.15Å
42R58.5Low62Low201 Ų201121.8 Ų121.876%0.75869%0.691SS**  trans-68.4100.9166.3-82.5-171.2-93.5-160.9-6.4106.4R40 M44R40-R42 PolarHBondContact O-N 3.12Å; R42-M44 HydrophobicContact CB-CE 4.19Å; R42-M44 HydrophobicContact CB-CG 4.21Å; R42-M44 PolarHBondContact O-N 3.42Å
43M56Low62.1Low159 Ų159119.8 Ų119.878%0.78368%0.684SS**  trans-67.673.6176.8-168.9178.969.100109.9S41S41-M43 PolarHBondContact O-N 3.15Å
44M60.9Low62.5Low147 Ų147120.6 Ų120.672%0.72467%0.673SS**  trans-74.1130.9-178.4-72-69.198.600110.2R42 K46R42-M44 HydrophobicContact CB-CE 4.19Å; R42-M44 HydrophobicContact CB-CG 4.21Å; R42-M44 PolarHBondContact O-N 3.42Å; M44-K46 PolarHBondContact O-N 2.86Å; M44-K46 VanDerWaalsContact O-N 3.09Å
45N56.3Low63.1Low134 Ų134120.4 Ų120.472%0.71766%0.664SS**  trans-72.9105.2-166.7-68.3-45.3000112.7T47N45-T47 PolarHBondContact O-N 2.88Å
46K58.5Low63.9Low196 Ų196122.7 Ų122.785%0.85267%0.667SS**SBendtrans45.556.2144.3-158.7178.3178177.60117M44M44-K46 PolarHBondContact O-N 2.86Å; M44-K46 VanDerWaalsContact O-N 3.09Å
47T55.9Low65.2Low109 Ų109123.4 Ų123.467%0.66967%0.665SS**  trans-124.332.7166.348.70000112.5N45 A49N45-T47 PolarHBondContact O-N 2.88Å; T47-A49 PolarHBondContact O-N 3.02Å
48T55.6Low66.8Low125 Ų125124.1 Ų124.177%0.76766%0.656SS**THydrogen-bonded Turntrans-64.6-2.6-170.746.70000116.6
49A54.8Low68.4Low81 Ų81114.4 Ų114.467%0.66963%0.63SS**Hα-helixtrans-76.5-38.8-179.500000114T47T47-A49 PolarHBondContact O-N 3.02Å
50S57.9Low70.1Confident82 Ų82114.5 Ų114.557%0.57362%0.617SS**Hα-helixtrans-81.6-23.8-172.557.20000114.3S52 T53S50-S52 VanDerWaalsContact C-N 3.34Å; S50-T53 PolarHBondContact O-OG1 3.26Å; S50-T53 VanDerWaalsContact O-OG1 3.09Å
51S62.6Low72.3Confident74 Ų74109 Ų10952%0.51760%0.601SS.*Hα-helixtrans-67.9-36.4175.8-169.40000111.8H54 T55S51-H54 PolarHBondContact O-N 2.96Å; S51-T55 PolarHBondContact O-N 2.94Å; S51-T55 PolarHBondContact O-OG1 2.97Å
52S72.4Confident74.3Confident60 Ų60110.5 Ų110.542%0.4260%0.596SS.*Hα-helixtrans-62.8-48-177.2-1790000112.3S50 H54 T55 I56S50-S52 VanDerWaalsContact C-N 3.34Å; S52-H54 VanDerWaalsContact C-N 3.34Å; S52-H54 PolarHBondContact O-N 3.34Å; S52-T55 WeakPolarHBondContact CA-OG1 3.34Å; S52-T55 PolarHBondContact O-N 3.4Å; S52-T55 PolarHBondContact O-OG1 3.08Å; S52-I56 WeakPolarHBondContact O-CG1 3.44Å; S52-I56 PolarHBondContact O-N 3.23Å
53T78.1Confident76.2Confident82 Ų82106 Ų10650%0.50359%0.586SS.*Hα-helixtrans-62.8-40.3179.153.30000111.8S50 I56 L57S50-T53 PolarHBondContact O-OG1 3.26Å; S50-T53 VanDerWaalsContact O-OG1 3.09Å; T53-I56 PolarHBondContact O-N 3.04Å; T53-L57 WeakPolarHBondContact O-CB 3.34Å; T53-L57 VanDerWaalsContact O-CG 3.31Å; T53-L57 WeakPolarHBondContact O-CG 3.47Å; T53-L57 PolarHBondContact O-N 3.49Å
54H84.6Confident78.2Confident99 Ų99102.8 Ų102.846%0.45857%0.573SS.*Hα-helixtrans-64.2-39.4174.4173.8-129.8000112.8S51 S52 K58S51-H54 PolarHBondContact O-N 2.96Å; S52-H54 VanDerWaalsContact C-N 3.34Å; S52-H54 PolarHBondContact O-N 3.34Å; H54-K58 WeakPolarHBondContact NE2-CE 3.32Å; H54-K58 PolarHBondContact NE2-NZ 3.42Å; H54-K58 PolarHBondContact O-N 3.07Å
55T86.9Confident79.9Confident83 Ų83102.3 Ų102.351%0.50957%0.567SS.*Hα-helixtrans-67.3-38173.145.40000112.9S51 S52 K58 G59S51-T55 PolarHBondContact O-N 2.94Å; S51-T55 PolarHBondContact O-OG1 2.97Å; S52-T55 WeakPolarHBondContact CA-OG1 3.34Å; S52-T55 PolarHBondContact O-N 3.4Å; S52-T55 PolarHBondContact O-OG1 3.08Å; T55-K58 PolarHBondContact O-N 2.85Å; T55-G59 PolarHBondContact O-N 3.23Å
56I90Very high81.9Confident99 Ų9998.9 Ų98.951%0.50856%0.557SS.*Hα-helixtrans-64.6-46175.5-69.5158.5000110.6S52 T53 K58 G59 V60S52-I56 WeakPolarHBondContact O-CG1 3.44Å; S52-I56 PolarHBondContact O-N 3.23Å; T53-I56 PolarHBondContact O-N 3.04Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 2.87Å; I56-G59 PolarHBondContact O-N 3.21Å; I56-G59 VanDerWaalsContact O-N 3.14Å; I56-V60 WeakPolarHBondContact O-CG2 3.46Å; I56-V60 PolarHBondContact O-N 3.33Å
57L93.1Very high83.8Confident119 Ų11994 Ų9462%0.62354%0.539SS*.Hα-helixtrans-61.5-39.9177.4-72.9169000112.2T53 V60 Q61T53-L57 WeakPolarHBondContact O-CB 3.34Å; T53-L57 VanDerWaalsContact O-CG 3.31Å; T53-L57 WeakPolarHBondContact O-CG 3.47Å; T53-L57 PolarHBondContact O-N 3.49Å; L57-V60 PolarHBondContact O-N 3.47Å; L57-Q61 WeakPolarHBondContact O-CB 3.36Å; L57-Q61 PolarHBondContact O-N 3.25Å
58K94Very high85.8Confident109 Ų10991.6 Ų91.647%0.47453%0.531SS..Hα-helixtrans-64.1-40.9172.3-79-174.9167.5-179.10112.6H54 T55 I56 Q61 Q62H54-K58 WeakPolarHBondContact NE2-CE 3.32Å; H54-K58 PolarHBondContact NE2-NZ 3.42Å; H54-K58 PolarHBondContact O-N 3.07Å; T55-K58 PolarHBondContact O-N 2.85Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 2.87Å; K58-Q61 PolarHBondContact O-N 3.19Å; K58-Q62 WeakPolarHBondContact O-CB 3.49Å; K58-Q62 WeakPolarHBondContact O-CG 3.37Å; K58-Q62 PolarHBondContact O-N 2.97Å
59G94.7Very high87.9Confident34 Ų3490.6 Ų90.635%0.35152%0.524SS..Hα-helixtrans-61.5-43.5174.300000112.9T55 I56 Q62 N63T55-G59 PolarHBondContact O-N 3.23Å; I56-G59 PolarHBondContact O-N 3.21Å; I56-G59 VanDerWaalsContact O-N 3.14Å; G59-Q62 PolarHBondContact O-N 3.46Å; G59-N63 WeakPolarHBondContact O-CB 3.46Å; G59-N63 PolarHBondContact O-N 3.38Å
60V96.1Very high89.9Confident74 Ų7489.4 Ų89.445%0.44851%0.514SS..Hα-helixtrans-65-41.6173.9173.70000111.2I56 L57 Q62 N63 N64I56-V60 WeakPolarHBondContact O-CG2 3.46Å; I56-V60 PolarHBondContact O-N 3.33Å; L57-V60 PolarHBondContact O-N 3.47Å; V60-Q62 VanDerWaalsContact C-N 3.33Å; V60-Q62 PolarHBondContact O-N 2.91Å; V60-N63 PolarHBondContact O-N 2.97Å; V60-N64 WeakPolarHBondContact O-CB 3.27Å; V60-N64 VanDerWaalsContact O-CG 3.26Å; V60-N64 PolarHBondContact O-N 2.96Å; V60-N64 PolarHBondContact O-OD1 3.01Å
61Q96.9Very high91.9Very high114 Ų11489.5 Ų89.553%0.53351%0.508SS..Hα-helixtrans-63.5-38.2176.3-166.5-175.825.600112.1L57 K58 K65L57-Q61 WeakPolarHBondContact O-CB 3.36Å; L57-Q61 PolarHBondContact O-N 3.25Å; K58-Q61 PolarHBondContact O-N 3.19Å; Q61-K65 WeakPolarHBondContact O-CB 3.37Å; Q61-K65 WeakPolarHBondContact O-CG 3.43Å; Q61-K65 PolarHBondContact O-N 3.37Å; Q61-K65 VanDerWaalsContact O-N 3.1Å
62Q96.4Very high93.6Very high140 Ų14091.2 Ų91.265%0.65451%0.508SS*.Hα-helixtrans-68.4-41.3173.6-74.9173.5-35.200111.9K58 G59 V60 K65 A66K58-Q62 WeakPolarHBondContact O-CB 3.49Å; K58-Q62 WeakPolarHBondContact O-CG 3.37Å; K58-Q62 PolarHBondContact O-N 2.97Å; G59-Q62 PolarHBondContact O-N 3.46Å; V60-Q62 VanDerWaalsContact C-N 3.33Å; V60-Q62 PolarHBondContact O-N 2.91Å; Q62-K65 PolarHBondContact O-N 2.9Å; Q62-A66 WeakPolarHBondContact O-CB 3.4Å; Q62-A66 PolarHBondContact O-N 3.47Å
63N97.5Very high94.8Very high105 Ų10590.7 Ų90.756%0.56151%0.507SS*.Hα-helixtrans-62.7-46.7176-171.2-87.2000111.6G59 V60 K65 A66 L67G59-N63 WeakPolarHBondContact O-CB 3.46Å; G59-N63 PolarHBondContact O-N 3.38Å; V60-N63 PolarHBondContact O-N 2.97Å; N63-K65 VanDerWaalsContact C-N 3.3Å; N63-K65 PolarHBondContact O-N 3.29Å; N63-A66 PolarHBondContact O-N 3.41Å; N63-A66 VanDerWaalsContact O-N 3.16Å; N63-L67 WeakPolarHBondContact O-CB 3.45Å; N63-L67 PolarHBondContact O-N 2.95Å
64N98.1Very high95.7Very high93 Ų9392.7 Ų92.750%0.49751%0.51SS..Hα-helixtrans-62.2-36.5176.6-693.1000112.1V60 A68V60-N64 WeakPolarHBondContact O-CB 3.27Å; V60-N64 VanDerWaalsContact O-CG 3.26Å; V60-N64 PolarHBondContact O-N 2.96Å; V60-N64 PolarHBondContact O-OD1 3.01Å; N64-A68 WeakPolarHBondContact O-CB 3.31Å; N64-A68 PolarHBondContact O-N 3.33Å
65K98.1Very high96.4Very high137 Ų13794.3 Ų94.360%0.59652%0.516SS*.Hα-helixtrans-65.2-46172.2-77.9179.5175.4-1670112Q61 Q62 N63 L67 A68 V69Q61-K65 WeakPolarHBondContact O-CB 3.37Å; Q61-K65 WeakPolarHBondContact O-CG 3.43Å; Q61-K65 PolarHBondContact O-N 3.37Å; Q61-K65 VanDerWaalsContact O-N 3.1Å; Q62-K65 PolarHBondContact O-N 2.9Å; N63-K65 VanDerWaalsContact C-N 3.3Å; N63-K65 PolarHBondContact O-N 3.29Å; K65-L67 VanDerWaalsContact C-N 3.32Å; K65-L67 PolarHBondContact O-N 3.22Å; K65-A68 PolarHBondContact O-N 2.89Å; K65-V69 WeakPolarHBondContact O-CG2 3.37Å; K65-V69 PolarHBondContact O-N 3.13Å
66A97.9Very high96.9Very high61 Ų6193.2 Ų93.250%0.50451%0.505SS..Hα-helixtrans-62.4-39.5176.700000111.9Q62 N63 V69 A70Q62-A66 WeakPolarHBondContact O-CB 3.4Å; Q62-A66 PolarHBondContact O-N 3.47Å; N63-A66 PolarHBondContact O-N 3.41Å; N63-A66 VanDerWaalsContact O-N 3.16Å; A66-V69 PolarHBondContact O-N 3.13Å; A66-A70 WeakPolarHBondContact O-CB 3.46Å; A66-A70 PolarHBondContact O-N 3.08Å
67L98.4Very high97.3Very high94 Ų9495.5 Ų95.549%0.49251%0.512SS..Hα-helixtrans-63.8-43.8174.6-179.761.8000111.9N63 K65 V69 A70 L71N63-L67 WeakPolarHBondContact O-CB 3.45Å; N63-L67 PolarHBondContact O-N 2.95Å; K65-L67 VanDerWaalsContact C-N 3.32Å; K65-L67 PolarHBondContact O-N 3.22Å; L67-V69 PolarHBondContact O-N 2.68Å; L67-A70 PolarHBondContact O-N 2.7Å; L67-L71 HydrophobicContact CD1-CD1 4.26Å; L67-L71 HydrophobicContact CD1-CG 4.3Å; L67-L71 HydrophobicContact CG-CD1 4.11Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 3.22Å
68A98.1Very high97.5Very high59 Ų5993.6 Ų93.649%0.48851%0.505SS..Hα-helixtrans-62-41.717600000112.2N64 K65 Q72N64-A68 WeakPolarHBondContact O-CB 3.31Å; N64-A68 PolarHBondContact O-N 3.33Å; K65-A68 PolarHBondContact O-N 2.89Å; A68-Q72 WeakPolarHBondContact O-CB 3.44Å; A68-Q72 PolarHBondContact O-N 3.24Å
69V98.3Very high97.8Very high104 Ų10496.1 Ų96.163%0.6351%0.511SS*.Hα-helixtrans-65.3-42174.5172.40000111.4K65 A66 L67 Q72 A73K65-V69 WeakPolarHBondContact O-CG2 3.37Å; K65-V69 PolarHBondContact O-N 3.13Å; A66-V69 PolarHBondContact O-N 3.13Å; L67-V69 PolarHBondContact O-N 2.68Å; V69-Q72 PolarHBondContact O-N 2.93Å; V69-A73 PolarHBondContact O-N 3.47Å
70A98.1Very high97.9Very high55 Ų5599.7 Ų99.746%0.45552%0.519SS..Hα-helixtrans-62.9-45.1177.200000112.2A66 L67 Q72 A73 E74A66-A70 WeakPolarHBondContact O-CB 3.46Å; A66-A70 PolarHBondContact O-N 3.08Å; L67-A70 PolarHBondContact O-N 2.7Å; A70-Q72 VanDerWaalsContact C-N 3.31Å; A70-Q72 PolarHBondContact O-N 3.11Å; A70-A73 PolarHBondContact O-N 2.87Å; A70-E74 PolarHBondContact O-N 3.21Å
71L98.6Very high98Very high85 Ų8598.4 Ų98.445%0.44552%0.516SS..Hα-helixtrans-63.7-35.2175.6-72169.7000112.3L67 E74 K75L67-L71 HydrophobicContact CD1-CD1 4.26Å; L67-L71 HydrophobicContact CD1-CG 4.3Å; L67-L71 HydrophobicContact CG-CD1 4.11Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 3.22Å; L71-E74 PolarHBondContact O-N 3.03Å; L71-K75 WeakPolarHBondContact O-CG 3.42Å; L71-K75 PolarHBondContact O-N 3.17Å
72Q98.3Very high98.1Very high110 Ų11097.1 Ų97.151%0.51451%0.513SS..Hα-helixtrans-68.8-40.3174.3-171.663.113.400111.6A68 V69 A70 E74 K75 E76A68-Q72 WeakPolarHBondContact O-CB 3.44Å; A68-Q72 PolarHBondContact O-N 3.24Å; V69-Q72 PolarHBondContact O-N 2.93Å; A70-Q72 VanDerWaalsContact C-N 3.31Å; A70-Q72 PolarHBondContact O-N 3.11Å; Q72-E74 VanDerWaalsContact C-N 3.33Å; Q72-E74 PolarHBondContact O-N 2.77Å; Q72-K75 PolarHBondContact O-N 2.95Å; Q72-E76 WeakPolarHBondContact O-CB 3.45Å; Q72-E76 PolarHBondContact O-N 2.87Å
73A98.1Very high98.2Very high49 Ų4993.3 Ų93.341%0.40551%0.505SS..Hα-helixtrans-67.6-30.9174.700000113V69 A70 K77V69-A73 PolarHBondContact O-N 3.47Å; A70-A73 PolarHBondContact O-N 2.87Å; A73-K77 WeakPolarHBondContact O-CG 3.47Å; A73-K77 PolarHBondContact O-N 3.46Å; A73-K77 VanDerWaalsContact O-N 3.15Å
74E97.8Very high98.3Very high123 Ų12392.3 Ų92.358%0.57550%0.503SS*.Hα-helixtrans-69.4-47.7172.3-175.2173-158.700111.5A70 L71 Q72 E76 K77 V78A70-E74 PolarHBondContact O-N 3.21Å; L71-E74 PolarHBondContact O-N 3.03Å; Q72-E74 VanDerWaalsContact C-N 3.33Å; Q72-E74 PolarHBondContact O-N 2.77Å; E74-E76 PolarHBondContact O-N 3.11Å; E74-K77 PolarHBondContact O-N 2.87Å; E74-K77 VanDerWaalsContact O-N 3.17Å; E74-V78 PolarHBondContact O-N 3.47Å; E74-V78 VanDerWaalsContact O-N 3.08Å
75K98.4Very high98.3Very high134 Ų13492 Ų9258%0.58350%0.5SS*.Hα-helixtrans-55.1-40.2171.3-74.9177.5178.4-174.50112L71 Q72 V78 R79L71-K75 WeakPolarHBondContact O-CG 3.42Å; L71-K75 PolarHBondContact O-N 3.17Å; Q72-K75 PolarHBondContact O-N 2.95Å; K75-V78 WeakPolarHBondContact O-CB 3.48Å; K75-V78 PolarHBondContact O-N 3.15Å; K75-R79 WeakPolarHBondContact O-CG 3.36Å; K75-R79 PolarHBondContact O-N 2.69Å
76E98Very high98.3Very high59 Ų5990.5 Ų90.528%0.27650%0.498SS..Hα-helixtrans-63.8-43.1178.4-167.456.9-154.500112.4Q72 E74 V78 R79 Q80Q72-E76 WeakPolarHBondContact O-CB 3.45Å; Q72-E76 PolarHBondContact O-N 2.87Å; E74-E76 PolarHBondContact O-N 3.11Å; E76-V78 VanDerWaalsContact C-N 3.26Å; E76-V78 PolarHBondContact O-N 3.35Å; E76-R79 VanDerWaalsContact CD-NH2 3.34Å; E76-R79 WeakPolarHBondContact O-CB 3.5Å; E76-R79 PolarHBondContact O-N 3.29Å; E76-R79 VanDerWaalsContact O-N 3.11Å; E76-R79 IonicContact OE1-CZ 3.85Å; E76-R79 IonicContact OE1-NE 3.77Å; E76-R79 IonicContact OE1-NH2 3.21Å; E76-R79 PolarHBondContact OE1-NH2 2.93Å; E76-R79 IonicContact OE2-CZ 3.19Å; E76-R79 IonicContact OE2-NE 2.87Å; E76-R79 PolarHBondContact OE2-NE 2.96Å; E76-R79 IonicContact OE2-NH2 2.69Å; E76-R79 PolarHBondContact OE2-NH2 3.19Å; E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 2.81Å
77K98.2Very high98.4Very high148 Ų14891.5 Ų91.564%0.64349%0.492SS*.Hα-helixtrans-60.7-35.7173.2-71172.2-178.2-176.80112.2A73 E74 Q80 A81A73-K77 WeakPolarHBondContact O-CG 3.47Å; A73-K77 PolarHBondContact O-N 3.46Å; A73-K77 VanDerWaalsContact O-N 3.15Å; E74-K77 PolarHBondContact O-N 2.87Å; E74-K77 VanDerWaalsContact O-N 3.17Å; K77-Q80 PolarHBondContact O-N 3.21Å; K77-A81 VanDerWaalsContact O-CB 3.31Å; K77-A81 WeakPolarHBondContact O-CB 3.37Å; K77-A81 PolarHBondContact O-N 3.13Å
78V98.5Very high98.4Very high79 Ų7991.7 Ų91.748%0.47949%0.493SS..Hα-helixtrans-66.8-41173.41760000111.4E74 K75 E76 A81 N82E74-V78 PolarHBondContact O-N 3.47Å; E74-V78 VanDerWaalsContact O-N 3.08Å; K75-V78 WeakPolarHBondContact O-CB 3.48Å; K75-V78 PolarHBondContact O-N 3.15Å; E76-V78 VanDerWaalsContact C-N 3.26Å; E76-V78 PolarHBondContact O-N 3.35Å; V78-A81 PolarHBondContact O-N 3.22Å; V78-N82 WeakPolarHBondContact O-CB 3.48Å; V78-N82 VanDerWaalsContact O-CG 3.23Å; V78-N82 PolarHBondContact O-N 2.97Å; V78-N82 PolarHBondContact O-ND2 3.08Å
79R98.4Very high98.4Very high162 Ų16294.5 Ų94.561%0.61150%0.495SS*.Hα-helixtrans-60.7-45.8173.3-61.7-155.7-61.5158.61.4111.6K75 E76 N82 A83K75-R79 WeakPolarHBondContact O-CG 3.36Å; K75-R79 PolarHBondContact O-N 2.69Å; E76-R79 VanDerWaalsContact CD-NH2 3.34Å; E76-R79 WeakPolarHBondContact O-CB 3.5Å; E76-R79 PolarHBondContact O-N 3.29Å; E76-R79 VanDerWaalsContact O-N 3.11Å; E76-R79 IonicContact OE1-CZ 3.85Å; E76-R79 IonicContact OE1-NE 3.77Å; E76-R79 IonicContact OE1-NH2 3.21Å; E76-R79 PolarHBondContact OE1-NH2 2.93Å; E76-R79 IonicContact OE2-CZ 3.19Å; E76-R79 IonicContact OE2-NE 2.87Å; E76-R79 PolarHBondContact OE2-NE 2.96Å; E76-R79 IonicContact OE2-NH2 2.69Å; E76-R79 PolarHBondContact OE2-NH2 3.19Å; R79-N82 PolarHBondContact O-N 3.13Å; R79-A83 PolarHBondContact O-N 2.98Å
80Q98.5Very high98.4Very high109 Ų10997.4 Ų97.451%0.50949%0.494SS..Hα-helixtrans-62.7-46.2178-69.3170.6-0.500112E76 K77 N82 A83 V84E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 2.81Å; K77-Q80 PolarHBondContact O-N 3.21Å; Q80-N82 PolarHBondContact O-N 3.18Å; Q80-A83 PolarHBondContact O-N 3.01Å; Q80-V84 WeakPolarHBondContact O-CG2 3.44Å; Q80-V84 PolarHBondContact O-N 2.78Å
81A98.5Very high98.4Very high47 Ų4798.8 Ų98.839%0.38849%0.491SS..Hα-helixtrans-60.8-43.517600000112K77 V78 A83 V84 I85K77-A81 VanDerWaalsContact O-CB 3.31Å; K77-A81 WeakPolarHBondContact O-CB 3.37Å; K77-A81 PolarHBondContact O-N 3.13Å; V78-A81 PolarHBondContact O-N 3.22Å; A81-A83 PolarHBondContact O-N 2.99Å; A81-V84 PolarHBondContact O-N 3.42Å; A81-I85 VanDerWaalsContact O-CG1 3.27Å; A81-I85 WeakPolarHBondContact O-CG1 3.41Å; A81-I85 PolarHBondContact O-N 3.21Å
82N98.5Very high98.4Very high87 Ų87101.1 Ų101.147%0.46550%0.5SS..Hα-helixtrans-63.7-38.9176.3-72.4-13000112.2V78 R79 Q80 I85 L86V78-N82 WeakPolarHBondContact O-CB 3.48Å; V78-N82 VanDerWaalsContact O-CG 3.23Å; V78-N82 PolarHBondContact O-N 2.97Å; V78-N82 PolarHBondContact O-ND2 3.08Å; R79-N82 PolarHBondContact O-N 3.13Å; Q80-N82 PolarHBondContact O-N 3.18Å; N82-I85 PolarHBondContact O-N 2.87Å; N82-L86 WeakPolarHBondContact O-CG 3.49Å; N82-L86 PolarHBondContact O-N 3.04Å
83A98.6Very high98.4Very high59 Ų59102.2 Ų102.249%0.48851%0.505SS..Hα-helixtrans-63.1-43.1174.500000112.1R79 Q80 A81 L86 Q87R79-A83 PolarHBondContact O-N 2.98Å; Q80-A83 PolarHBondContact O-N 3.01Å; A81-A83 PolarHBondContact O-N 2.99Å; A83-L86 PolarHBondContact O-N 2.92Å; A83-Q87 PolarHBondContact O-N 3.04Å
84V98.6Very high98.4Very high85 Ų85102 Ų10252%0.51550%0.503SS..Hα-helixtrans-64-42.6174.61730000111.4Q80 A81 L86 Q87 L88Q80-V84 WeakPolarHBondContact O-CG2 3.44Å; Q80-V84 PolarHBondContact O-N 2.78Å; A81-V84 PolarHBondContact O-N 3.42Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 2.99Å; V84-Q87 PolarHBondContact O-N 3.14Å; V84-L88 HydrophobicContact CG1-CD1 3.79Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 WeakPolarHBondContact O-CG 3.2Å; V84-L88 PolarHBondContact O-N 3.11Å
85I98.6Very high98.4Very high85 Ų85101.9 Ų101.944%0.43651%0.506SS..Hα-helixtrans-60.9-41.1175.9-70.1162.8000111.3A81 N82 K89A81-I85 VanDerWaalsContact O-CG1 3.27Å; A81-I85 WeakPolarHBondContact O-CG1 3.41Å; A81-I85 PolarHBondContact O-N 3.21Å; N82-I85 PolarHBondContact O-N 2.87Å; I85-K89 HydrophobicContact CG2-CD 4.48Å; I85-K89 WeakPolarHBondContact O-CB 3.39Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.23Å
86L98.7Very high98.4Very high106 Ų106101 Ų10156%0.55550%0.502SS*.Hα-helixtrans-66.6-39.1176.2-73168.7000112.1N82 A83 V84 R90N82-L86 WeakPolarHBondContact O-CG 3.49Å; N82-L86 PolarHBondContact O-N 3.04Å; A83-L86 PolarHBondContact O-N 2.92Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 2.99Å; L86-R90 WeakPolarHBondContact O-CG 3.35Å; L86-R90 PolarHBondContact O-N 2.95Å
87Q98.6Very high98.4Very high82 Ų82103.2 Ų103.238%0.38352%0.515SS..Hα-helixtrans-65.9-50.1176.2-177.958.919.800111.8A83 V84 K89 R90 E91A83-Q87 PolarHBondContact O-N 3.04Å; V84-Q87 PolarHBondContact O-N 3.14Å; Q87-K89 VanDerWaalsContact C-N 3.25Å; Q87-K89 PolarHBondContact O-N 3.46Å; Q87-R90 WeakPolarHBondContact O-CB 3.47Å; Q87-R90 PolarHBondContact O-N 3.17Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.47Å; Q87-E91 PolarHBondContact NE2-OE1 3.29Å; Q87-E91 PolarHBondContact O-N 3.43Å
88L98.6Very high98.4Very high98 Ų98101.6 Ų101.651%0.51351%0.51SS..Hα-helixtrans-60.2-33.7177.7-69.3172.4000112.3V84 E91 Q92V84-L88 HydrophobicContact CG1-CD1 3.79Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 WeakPolarHBondContact O-CG 3.2Å; V84-L88 PolarHBondContact O-N 3.11Å; L88-E91 PolarHBondContact O-N 3.5Å; L88-Q92 VanDerWaalsContact O-CB 3.29Å; L88-Q92 WeakPolarHBondContact O-CB 3.19Å; L88-Q92 PolarHBondContact O-N 3.49Å
89K98.5Very high98.4Very high119 Ų119101.9 Ų101.952%0.51751%0.508SS..Hα-helixtrans-66.8-37.3173.2-80.4-176.3174.9-171.40113.2I85 Q87 Q93I85-K89 HydrophobicContact CG2-CD 4.48Å; I85-K89 WeakPolarHBondContact O-CB 3.39Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.23Å; Q87-K89 VanDerWaalsContact C-N 3.25Å; Q87-K89 PolarHBondContact O-N 3.46Å; K89-Q93 WeakPolarHBondContact O-CG 3.25Å; K89-Q93 PolarHBondContact O-N 3.03Å; K89-Q93 VanDerWaalsContact O-N 3.11Å
90R98.4Very high98.4Very high165 Ų16597.9 Ų97.962%0.62350%0.498SS*.Hα-helixtrans-66-43.9173.9-68.2165.6175.3175.7-3.8111L86 Q87 Q93 A94L86-R90 WeakPolarHBondContact O-CG 3.35Å; L86-R90 PolarHBondContact O-N 2.95Å; Q87-R90 WeakPolarHBondContact O-CB 3.47Å; Q87-R90 PolarHBondContact O-N 3.17Å; R90-Q93 PolarHBondContact O-N 2.89Å; R90-A94 PolarHBondContact O-N 2.99Å
91E98.3Very high98.4Very high84 Ų8497.6 Ų97.639%0.39350%0.5SS..Hα-helixtrans-64-43177-70.5168.5-170.400111.6Q87 L88 Q93 A94 L95Q87-E91 WeakPolarHBondContact CG-OE1 3.47Å; Q87-E91 PolarHBondContact NE2-OE1 3.29Å; Q87-E91 PolarHBondContact O-N 3.43Å; L88-E91 PolarHBondContact O-N 3.5Å; E91-Q93 VanDerWaalsContact C-N 3.32Å; E91-Q93 PolarHBondContact O-N 3.44Å; E91-A94 PolarHBondContact O-N 3.3Å; E91-L95 WeakPolarHBondContact O-CB 3.19Å; E91-L95 VanDerWaalsContact O-CG 3.3Å; E91-L95 WeakPolarHBondContact O-CG 3.41Å; E91-L95 PolarHBondContact O-N 2.94Å
92Q98.2Very high98.3Very high134 Ų134100.7 Ų100.763%0.62651%0.51SS*.Hα-helixtrans-56.6-44.2173-174.4-175.321.700112L88 F96L88-Q92 VanDerWaalsContact O-CB 3.29Å; L88-Q92 WeakPolarHBondContact O-CB 3.19Å; L88-Q92 PolarHBondContact O-N 3.49Å; Q92-F96 WeakPolarHBondContact O-CB 3.42Å; Q92-F96 PolarHBondContact O-N 3.36Å
93Q98.3Very high98.3Very high132 Ų132102.1 Ų102.162%0.61751%0.511SS*.Hα-helixtrans-66.9-41.6177.2-73.5174.3-17.900112.2K89 R90 E91 F96 L97K89-Q93 WeakPolarHBondContact O-CG 3.25Å; K89-Q93 PolarHBondContact O-N 3.03Å; K89-Q93 VanDerWaalsContact O-N 3.11Å; R90-Q93 PolarHBondContact O-N 2.89Å; E91-Q93 VanDerWaalsContact C-N 3.32Å; E91-Q93 PolarHBondContact O-N 3.44Å; Q93-F96 PolarHBondContact O-N 3.13Å; Q93-L97 WeakPolarHBondContact O-CG 3.3Å; Q93-L97 PolarHBondContact O-N 3.42Å; Q93-L97 VanDerWaalsContact O-N 3.12Å
94A98.4Very high98.2Very high45 Ų45107 Ų10737%0.37252%0.517SS..Hα-helixtrans-63-45.9175.500000111.9R90 E91 F96 L97 H98R90-A94 PolarHBondContact O-N 2.99Å; E91-A94 PolarHBondContact O-N 3.3Å; A94-F96 VanDerWaalsContact C-N 3.33Å; A94-F96 PolarHBondContact O-N 2.96Å; A94-L97 PolarHBondContact O-N 3.47Å; A94-H98 PolarHBondContact O-CD2 2.93Å; A94-H98 PolarHBondContact O-N 2.99Å
95L98.5Very high98.1Very high120 Ų120109.4 Ų109.463%0.62852%0.521SS*.Hα-helixtrans-63.3-36.6176.8-70.4171.9000112.3E91 H98 L99E91-L95 WeakPolarHBondContact O-CB 3.19Å; E91-L95 VanDerWaalsContact O-CG 3.3Å; E91-L95 WeakPolarHBondContact O-CG 3.41Å; E91-L95 PolarHBondContact O-N 2.94Å; L95-H98 PolarHBondContact O-N 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 PolarHBondContact O-N 3.28Å
96F98.4Very high98Very high117 Ų117110.6 Ų110.651%0.51353%0.528SS..Hα-helixtrans-62.1-42.9173.2-179.2-101.9000112.2Q92 Q93 A94 L99 L100Q92-F96 WeakPolarHBondContact O-CB 3.42Å; Q92-F96 PolarHBondContact O-N 3.36Å; Q93-F96 PolarHBondContact O-N 3.13Å; A94-F96 VanDerWaalsContact C-N 3.33Å; A94-F96 PolarHBondContact O-N 2.96Å; F96-L99 PolarHBondContact O-N 3.33Å; F96-L100 HydrophobicContact CD1-CD1 4.02Å; F96-L100 HydrophobicContact CE1-CD1 3.55Å; F96-L100 HydrophobicContact CE1-CG 4.32Å; F96-L100 HydrophobicContact CZ-CD1 4Å; F96-L100 HydrophobicContact CZ-CG 4.42Å; F96-L100 WeakPolarHBondContact O-CG 3.48Å; F96-L100 PolarHBondContact O-N 2.7Å
97L98.1Very high97.9Very high104 Ų104112.6 Ų112.655%0.54553%0.532SS..Hα-helixtrans-64.7-42.5174.2-67.8172.9000112Q93 A94 L99 L100 L101Q93-L97 WeakPolarHBondContact O-CG 3.3Å; Q93-L97 PolarHBondContact O-N 3.42Å; Q93-L97 VanDerWaalsContact O-N 3.12Å; A94-L97 PolarHBondContact O-N 3.47Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.88Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.3Å
98H98Very high97.7Very high114 Ų114112.5 Ų112.553%0.52853%0.531SS..Hα-helixtrans-60.9-41.2173.8-75.5-65000112.3A94 L95 L101 L102A94-H98 PolarHBondContact O-CD2 2.93Å; A94-H98 PolarHBondContact O-N 2.99Å; L95-H98 PolarHBondContact O-N 3.29Å; H98-L101 PolarHBondContact O-N 3.2Å; H98-L102 WeakPolarHBondContact O-CB 3.5Å; H98-L102 WeakPolarHBondContact O-CG 3.32Å; H98-L102 PolarHBondContact O-N 2.8Å
99L98.1Very high97.5Very high86 Ų86114.5 Ų114.545%0.4554%0.538SS..Hα-helixtrans-63.4-40.4176.3-179.361.5000112.1L95 F96 L97 L102 K103L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 PolarHBondContact O-N 3.28Å; F96-L99 PolarHBondContact O-N 3.33Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 3.1Å; L99-K103 HydrophobicContact CD1-CG 4.42Å; L99-K103 HydrophobicContact CG-CD 4.49Å; L99-K103 WeakPolarHBondContact O-CB 3.4Å; L99-K103 WeakPolarHBondContact O-CG 3.19Å; L99-K103 PolarHBondContact O-N 2.7Å
100L98.1Very high97.2Very high77 Ų77114.6 Ų114.640%0.40354%0.54SS..Hα-helixtrans-63.9-42.8174.1-72.6175000112F96 L97 K103 R104F96-L100 HydrophobicContact CD1-CD1 4.02Å; F96-L100 HydrophobicContact CE1-CD1 3.55Å; F96-L100 HydrophobicContact CE1-CG 4.32Å; F96-L100 HydrophobicContact CZ-CD1 4Å; F96-L100 HydrophobicContact CZ-CG 4.42Å; F96-L100 WeakPolarHBondContact O-CG 3.48Å; F96-L100 PolarHBondContact O-N 2.7Å; L97-L100 PolarHBondContact O-N 3.26Å; L100-K103 PolarHBondContact O-N 2.91Å; L100-R104 WeakPolarHBondContact O-CB 3.5Å; L100-R104 PolarHBondContact O-N 3.11Å
101L97.8Very high96.9Very high103 Ų103109.7 Ų109.754%0.53954%0.535SS..Hα-helixtrans-64.8-38176.4-69.8172.6000112.5L97 H98 K105L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.3Å; H98-L101 PolarHBondContact O-N 3.2Å; L101-K105 WeakPolarHBondContact O-CG 3.44Å; L101-K105 PolarHBondContact O-N 2.98Å
102L97.8Very high96.6Very high113 Ų113111.4 Ų111.459%0.59255%0.546SS*.Hα-helixtrans-68.2-46.5174.8-72.9168.2000111.7H98 L99 R104 K105 L106H98-L102 WeakPolarHBondContact O-CB 3.5Å; H98-L102 WeakPolarHBondContact O-CG 3.32Å; H98-L102 PolarHBondContact O-N 2.8Å; L99-L102 PolarHBondContact O-N 3.1Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3Å; L102-K105 PolarHBondContact O-N 3.22Å; L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 PolarHBondContact O-N 3.47Å
103K97Very high96.1Very high116 Ų116108 Ų10850%0.50454%0.541SS..Hα-helixtrans-58.6-38.4174.2-77.5-175.8174.8-172.10112L99 L100 K107L99-K103 HydrophobicContact CD1-CG 4.42Å; L99-K103 HydrophobicContact CG-CD 4.49Å; L99-K103 WeakPolarHBondContact O-CB 3.4Å; L99-K103 WeakPolarHBondContact O-CG 3.19Å; L99-K103 PolarHBondContact O-N 2.7Å; L100-K103 PolarHBondContact O-N 2.91Å; K103-K107 PolarHBondContact O-N 3.35Å; K103-K107 VanDerWaalsContact O-N 3.12Å
104R97.2Very high95.6Very high161 Ų161104.1 Ų104.161%0.60853%0.532SS*.Hα-helixtrans-62.6-52.2173.6177.9178.7166.3163.34.1111.6L100 L102 L106 K107 E108L100-R104 WeakPolarHBondContact O-CB 3.5Å; L100-R104 PolarHBondContact O-N 3.11Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3Å; R104-L106 VanDerWaalsContact C-N 3.28Å; R104-L106 PolarHBondContact O-N 2.99Å; R104-K107 PolarHBondContact O-N 2.79Å; R104-E108 HydrophobicContact CG-CG 4.42Å; R104-E108 IonicContact CZ-OE1 3.2Å; R104-E108 IonicContact NE-OE1 2.73Å; R104-E108 PolarHBondContact NE-OE1 2.83Å; R104-E108 IonicContact NE-OE2 3.82Å; R104-E108 IonicContact NH2-OE1 2.76Å; R104-E108 PolarHBondContact NH2-OE1 3.27Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.3Å
105K96.6Very high94.7Very high137 Ų137105.4 Ų105.460%0.59654%0.538SS*.Hα-helixtrans-59.9-37.3179.4-76.9-176.2174.8-172.60112.9L101 L102 E108 Q109L101-K105 WeakPolarHBondContact O-CG 3.44Å; L101-K105 PolarHBondContact O-N 2.98Å; L102-K105 PolarHBondContact O-N 3.22Å; K105-E108 PolarHBondContact O-N 2.97Å; K105-Q109 WeakPolarHBondContact O-CG 3.36Å; K105-Q109 PolarHBondContact O-N 3.13Å
106L96.6Very high93.7Very high110 Ų110103 Ų10358%0.57654%0.535SS*.Hα-helixtrans-65.1-45.8176.3-167.4155.4000111L102 R104 E108 Q109 E110L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 PolarHBondContact O-N 3.47Å; R104-L106 VanDerWaalsContact C-N 3.28Å; R104-L106 PolarHBondContact O-N 2.99Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3Å; L106-Q109 PolarHBondContact O-N 3.29Å; L106-E110 WeakPolarHBondContact O-CB 3.5Å; L106-E110 PolarHBondContact O-N 2.89Å
107K95.8Very high92.2Very high147 Ų147101.7 Ų101.764%0.63954%0.541SS*.Hα-helixtrans-63-35.7173.5-74.6-168.2172-161.50113.3K103 R104 E110 A111K103-K107 PolarHBondContact O-N 3.35Å; K103-K107 VanDerWaalsContact O-N 3.12Å; R104-K107 PolarHBondContact O-N 2.79Å; K107-E110 PolarHBondContact O-N 3.02Å; K107-A111 WeakPolarHBondContact O-CB 3.26Å; K107-A111 PolarHBondContact O-N 2.87Å
108E94.8Very high90.4Very high81 Ų81105 Ų10538%0.37955%0.553SS.*Hα-helixtrans-65.7-40.3174.1-72.8170159.300111.2R104 K105 L106 L112R104-E108 HydrophobicContact CG-CG 4.42Å; R104-E108 IonicContact CZ-OE1 3.2Å; R104-E108 IonicContact NE-OE1 2.73Å; R104-E108 PolarHBondContact NE-OE1 2.83Å; R104-E108 IonicContact NE-OE2 3.82Å; R104-E108 IonicContact NH2-OE1 2.76Å; R104-E108 PolarHBondContact NH2-OE1 3.27Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.3Å; K105-E108 PolarHBondContact O-N 2.97Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3Å; E108-L112 WeakPolarHBondContact O-CD1 3.32Å; E108-L112 VanDerWaalsContact O-CG 3.24Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 3.1Å; E108-L112 VanDerWaalsContact O-N 3.08Å
109Q94.1Very high88.5Confident139 Ų139103.4 Ų103.465%0.6556%0.56SS**Hα-helixtrans-67.3-41173-74.2178.6-17.600113K105 L106 L112 A113K105-Q109 WeakPolarHBondContact O-CG 3.36Å; K105-Q109 PolarHBondContact O-N 3.13Å; L106-Q109 PolarHBondContact O-N 3.29Å; Q109-L112 PolarHBondContact O-N 3.3Å; Q109-A113 WeakPolarHBondContact O-CB 3.44Å; Q109-A113 PolarHBondContact O-N 3.05Å
110E93.2Very high86.3Confident121 Ų121108.1 Ų108.157%0.56558%0.577SS**Hα-helixtrans-61.1-45.2175.9-175.1178.8-164.400111.4L106 K107 L112 A113 A114L106-E110 WeakPolarHBondContact O-CB 3.5Å; L106-E110 PolarHBondContact O-N 2.89Å; K107-E110 PolarHBondContact O-N 3.02Å; E110-L112 PolarHBondContact O-N 3.38Å; E110-A113 PolarHBondContact O-N 2.87Å; E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 3.46Å
111A91.7Very high84.2Confident62 Ų62110.3 Ų110.351%0.51260%0.595SS.*Hα-helixtrans-64.8-36.4175.100000113K107 S115K107-A111 WeakPolarHBondContact O-CB 3.26Å; K107-A111 PolarHBondContact O-N 2.87Å; A111-S115 PolarHBondContact O-N 2.93Å; A111-S115 PolarHBondContact O-OG 2.83Å
112L91.9Very high81.6Confident120 Ų120112.3 Ų112.363%0.62861%0.612SS**Hα-helixtrans-67.9-39.7173.7-72.9167.2000112E108 Q109 E110 S115 A116E108-L112 WeakPolarHBondContact O-CD1 3.32Å; E108-L112 VanDerWaalsContact O-CG 3.24Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 3.1Å; E108-L112 VanDerWaalsContact O-N 3.08Å; Q109-L112 PolarHBondContact O-N 3.3Å; E110-L112 PolarHBondContact O-N 3.38Å; L112-S115 PolarHBondContact O-OG 3.38Å; L112-S115 VanDerWaalsContact O-OG 3.07Å; L112-A116 WeakPolarHBondContact O-CB 3.2Å; L112-A116 PolarHBondContact O-N 2.83Å
113A88.2Confident78.9Confident63 Ų63110.2 Ų110.252%0.52162%0.618SS.*Hα-helixtrans-66.8-39.6174.600000112.2Q109 E110 A116 S117Q109-A113 WeakPolarHBondContact O-CB 3.44Å; Q109-A113 PolarHBondContact O-N 3.05Å; E110-A113 PolarHBondContact O-N 2.87Å; A113-A116 PolarHBondContact O-N 2.99Å; A113-S117 PolarHBondContact O-N 3.47Å; A113-S117 VanDerWaalsContact O-N 3.1Å; A113-S117 PolarHBondContact O-OG 3.31Å
114A86.6Confident76.7Confident51 Ų51112.3 Ų112.342%0.42163%0.633SS.*Hα-helixtrans-68.9-32.7177.200000113.3E110 S117E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 3.46Å; A114-S117 PolarHBondContact O-OG 3.15Å; A114-S117 VanDerWaalsContact O-OG 3.11Å
115S80.5Confident74Confident72 Ų72112.9 Ų112.950%0.50364%0.643SS.*Hα-helixtrans-76.3-36.3173.5650000112.2A111 L112 S117 Q118A111-S115 PolarHBondContact O-N 2.93Å; A111-S115 PolarHBondContact O-OG 2.83Å; L112-S115 PolarHBondContact O-OG 3.38Å; L112-S115 VanDerWaalsContact O-OG 3.07Å; S115-S117 VanDerWaalsContact C-N 3.34Å; S115-S117 PolarHBondContact O-N 2.86Å; S115-Q118 PolarHBondContact O-N 3.33Å
116A77.8Confident71.1Confident68 Ų68115.4 Ų115.456%0.56266%0.656SS**Hα-helixtrans-63.8-34.7174.700000113.2L112 A113 A119L112-A116 WeakPolarHBondContact O-CB 3.2Å; L112-A116 PolarHBondContact O-N 2.83Å; A113-A116 PolarHBondContact O-N 2.99Å; A116-A119 PolarHBondContact O-N 3.1Å
117S66.9Low68.5Low91 Ų91117.6 Ų117.664%0.63666%0.664SS**Hα-helixtrans-75-21.3-179.564.30000114.4A113 A114 S115A113-S117 PolarHBondContact O-N 3.47Å; A113-S117 VanDerWaalsContact O-N 3.1Å; A113-S117 PolarHBondContact O-OG 3.31Å; A114-S117 PolarHBondContact O-OG 3.15Å; A114-S117 VanDerWaalsContact O-OG 3.11Å; S115-S117 VanDerWaalsContact C-N 3.34Å; S115-S117 PolarHBondContact O-N 2.86Å
118Q60.9Low65.7Low173 Ų173116.3 Ų116.381%0.80867%0.668SS**Hα-helixtrans-82.6-14.1171.9-64.5-168.312.700113.2S115 K120S115-Q118 PolarHBondContact O-N 3.33Å; Q118-K120 VanDerWaalsContact C-N 3.29Å; Q118-K120 PolarHBondContact O-N 3.37Å
119A58.2Low63.6Low80 Ų80117.4 Ų117.466%0.66168%0.682SS**  trans-83.560.2-179.500000112.9A116A116-A119 PolarHBondContact O-N 3.1Å
120K50.4Low60.8Low186 Ų186117.7 Ų117.781%0.80969%0.689SS**  trans-127.5120.2174.8-154.1171.5-172.1177.80111.3Q118Q118-K120 VanDerWaalsContact C-N 3.29Å; Q118-K120 PolarHBondContact O-N 3.37Å
121P54.3Low58.1Low122 Ų122119.7 Ų119.779%0.79270%0.698SS**  trans-86.8139.2-164.932.5-35.9000114.4
122T42.6Very low55.6Low145 Ų145124 Ų12489%0.8971%0.707SS**  trans-146.2121.6166.750.10000109.5
123G41.7Very low52.8Low69 Ų69125 Ų12571%0.71171%0.713SS**  cis167.9-170-9.200000113
124I49.9Very low50.7Low161 Ų161129.3 Ų129.383%0.82673%0.727SS**  trans78.3102.7158.5-51.6178.9000119
125Q41.1Very low48.4Very low173 Ų173132.5 Ų132.581%0.80873%0.733SS**  trans32.9137.5135.4-54.9-161.86900124
126Q36.9Very low46.2Very low189 Ų189138.4 Ų138.488%0.88374%0.744SS**  -144.9161.3121.1-154.1162.46.800111.7
127E40.3Very low44.1Very low156 Ų156144.6 Ų144.673%0.72975%0.753SS**  trans-82.8174.5-166.2-71.1178124.100115.1
128T37.9Very low42.8Very low121 Ų121147.5 Ų147.574%0.74275%0.754SS**  cis-167.1-167.4-8.4300000107
129P50.7Low41.6Very low103 Ų103150.3 Ų150.367%0.66976%0.757SS**  cis-131.4175-6.342.3-25.5000116.8
130N35.1Very low40.5Very low146 Ų146152.1 Ų152.178%0.78177%0.765SS**  trans23.2147.9144-57-26.1000121.3
131H36.3Very low39.9Very low163 Ų163148.4 Ų148.476%0.75576%0.763SS**  cis-169.8157.240.6-150.2-43.2000112.7
132Q39.2Very low39.4Very low153 Ų153151.3 Ų151.372%0.71577%0.765SS**  trans76.2148163.4-52-171.12500116.7
133N33.9Very low39.1Very low141 Ų141151.6 Ų151.675%0.75476%0.757SS**  cis-143.1167.1-3.5-135-35.4000112.9
134L44.2Very low39Very low153 Ų153154.9 Ų154.980%0.80176%0.757SS**  trans-93.5-174.8-179.5-157.968.9000111.7
135E37.5Very low38.3Very low117 Ų117152.4 Ų152.455%0.54775%0.746SS.*  trans95.1102.6156.6-71.2-82.7101.300120
136R35.3Very low38.2Very low196 Ų196151.4 Ų151.474%0.7474%0.741SS**  59126113-156.4-173-60.7-162.411.8118.3
137R32.1Very low38.3Very low198 Ų198149.8 Ų149.875%0.74774%0.737SS**  156.3118103.9-165.7173.3-151.9-151.89.2116.6
138K39.9Very low38Very low152 Ų152147.6 Ų147.666%0.66174%0.735SS**  trans68.1120.1148.8-71.8178-178.2-175.30123.1
139R37.1Very low37.7Very low232 Ų232149.8 Ų149.888%0.87574%0.741SS**  44.4109.7120-58.6-178.9-179.3175.8-1.8121.2
140S34.9Very low36.8Very low118 Ų118149.8 Ų149.883%0.82574%0.742SS**  -172.8129120.836.10000107.3
141S37.5Very low36.6Very low109 Ų109150.1 Ų150.176%0.76274%0.744SS**  8783.850.2-172.50000113.3
142Q43.9Very low36.3Very low182 Ų182146 Ų14685%0.8574%0.738SS**  trans171155.9139.1-93161.119.900110.2
143Q34.9Very low36.6Very low151 Ų151144.1 Ų144.171%0.70674%0.742SS**  cis-171.4122.6-37.4177170.2-25.200110.4
144L39.8Very low37.9Very low138 Ų138142.6 Ų142.672%0.72374%0.74SS**  trans59.4155.3170.2-83.960.7000116.1
145D35.8Very low37.2Very low109 Ų109142.2 Ų142.258%0.58374%0.737SS**  cis-148.3143.2-15.4-110.4-32.6000107.3
146Q38.8Very low37.2Very low152 Ų152142.4 Ų142.471%0.7175%0.75SS**  46.413597.1-58.3-169.797.700115.4
147L38.7Very low37.8Very low155 Ų155138.1 Ų138.181%0.81275%0.748SS**  cis-132.1143.924.9-66.2156000110
148T33.8Very low37.7Very low110 Ų110136.3 Ų136.368%0.67575%0.753SS**  78.895.751.2-51.60000114.6
149L33.3Very low37.7Very low168 Ų168134.4 Ų134.488%0.8876%0.759SS**  -166.7136.1127.3-109.4166.1000111.9
150C31.4Very low38.3Very low102 Ų102129 Ų12969%0.68975%0.753SS**  trans-80.3-175.1165.6-48.40000109
151D30.7Very low39.2Very low154 Ų154128.7 Ų128.782%0.82475%0.749SS**  cis-166.3172.324.1-119-34.8000106.9
152A29.9Very low39Very low76 Ų76127.4 Ų127.463%0.62874%0.74SS**  cis-155174.8-4.200000109.3
153S44.4Very low38.7Very low113 Ų113127.5 Ų127.579%0.7974%0.738SS**  trans-129.3-165.6155.9-53.40000106.8
154P62.3Low38.7Very low109 Ų109128.7 Ų128.771%0.70874%0.74SS**  cis-128.6-153.9-20.126.6-2.5000111
155I28.9Very low38.4Very low145 Ų145129.4 Ų129.474%0.74475%0.745SS**  trans132.4120.2137.9-70.1156000115
156C36.9Very low38.2Very low122 Ų122127.6 Ų127.682%0.82475%0.752SS**  trans-109.1158.9153.2-56.60000108.3
157P47.9Very low38.5Very low106 Ų106126.2 Ų126.269%0.68876%0.756SS**  trans-135.9121.7148.529.7-12.5000114.3
158D31.4Very low38.3Very low159 Ų159125.7 Ų125.785%0.8576%0.759SS**  50.3138.8123.7-52.8-25000124
159S38.2Very low38.3Very low113 Ų113127.8 Ų127.879%0.7977%0.766SS**  trans-87.4-172158.7-58.20000109.6
160P51Low38.3Very low117 Ų117125.6 Ų125.676%0.7676%0.763SS**  cis-140.6-135.18.743.2-19.1000111.2
161P54.2Low38.3Very low112 Ų112126.8 Ų126.873%0.72776%0.763SS**  cis-133.3-175.9-28.937.6-19.4000116
162S32.2Very low38.7Very low83 Ų83127.9 Ų127.958%0.5876%0.755SS**  trans94.7104.9132.3174.40000123.8
163K37.5Very low39.1Very low184 Ų184131 Ų13180%0.876%0.757SS**  95131.2126.1-74.2173.6-163.4161.60124.5
164K35.9Very low38.5Very low175 Ų175130.6 Ų130.676%0.76176%0.76SS**  trans91.5118.2136.3-83.5-177.3173.9-173.70122.7
165N32.6Very low37.1Very low154 Ų154130.1 Ų130.182%0.82477%0.766SS**  trans68.2148.8142.9-51.5-1.1000117.9
166G32.6Very low37.8Very low70 Ų70130.8 Ų130.872%0.72277%0.77SS**  cis-157-169.83.100000112.9
167P44.8Very low38.5Very low124 Ų124131.1 Ų131.181%0.80577%0.771SS**  trans-113.7166.3-153.441.1-35.5000117.7
168V33.7Very low38.3Very low144 Ų144130.8 Ų130.887%0.87377%0.771SS**  trans-141.4143.6157.6-178.50000109.2
169N34.9Very low39Very low153 Ų153129.5 Ų129.582%0.81877%0.769SS**  trans-121.2155.3177.4-92.3-31.1000111.1
170C32.8Very low39.1Very low122 Ų122131 Ų13182%0.82477%0.773SS**  trans-175.6118.1143.5-104.60000112.4
171D32Very low38.4Very low128 Ų128128.5 Ų128.568%0.68477%0.769SS**  27.5144.2120.2-71.427000120.4
172R39.3Very low37.6Very low176 Ų176130.1 Ų130.166%0.66478%0.776SS**  cis-167.5152.15-119.1170.2-171.8-107.3-0113.7
173E37Very low37.9Very low142 Ų142136.9 Ų136.966%0.66479%0.789SS**  trans52.2141.3139.4-71.2162167.100125.4
174A32.7Very low37.9Very low104 Ų104139.2 Ų139.286%0.8679%0.793SS**  trans72.8146.7146.500000119.8
175A32.4Very low38.3Very low100 Ų100141.9 Ų141.983%0.82680%0.798SS**  cis-152.7176.2-9.600000111.8
176L43.1Very low38.5Very low158 Ų158143.9 Ų143.983%0.82780%0.802SS**  trans-76.5168.2-179.7-62173.4000114.2
177P53.1Low38.6Very low130 Ų130143.8 Ų143.884%0.84480%0.801SS**  -131154.6103.138.2-32.6000115
178S42.2Very low38.1Very low99 Ų99145.5 Ų145.569%0.69280%0.803SS**  trans-109.2143.9173.1167.80000110.3
179T46Very low38.2Very low131 Ų131149.4 Ų149.480%0.80480%0.802SS**  trans-177.8146.3140.518.90000113.8
180V41.2Very low38.2Very low145 Ų145154.1 Ų154.188%0.87981%0.809SS**  trans61.6128.2169.9-1550000117.5
181G36.4Very low38.2Very low65 Ų65154.3 Ų154.367%0.6781%0.811SS**  cis136.968.9-500000114.4
182V37.3Very low38.6Very low145 Ų145159.2 Ų159.288%0.87982%0.82SS**PPolyproline II helixtrans-86.7126.6-179.9-1800000111.8
183R38.1Very low38.5Very low225 Ų225161.8 Ų161.885%0.84983%0.83SS**PPolyproline II helixtrans-79126.5173.7-78.9-178.6164.5-170.9-3.6111.8
184R36.8Very low38.4Very low233 Ų233166.8 Ų166.888%0.87984%0.843SS**PPolyproline II helixtrans-91.9154.1156-68.1-172.3176.9-145.40.9110.5
185R44.8Very low38.7Very low232 Ų232166.8 Ų166.888%0.87584%0.836SS**  trans-127.2142165.6-83.7-70.3-163.7-163.74.3108.1
186H37.8Very low38.9Very low196 Ų196171.1 Ų171.191%0.90784%0.839SS**  trans-130.4148.8174.1-121.8-75.5000108.9
187G34.1Very low38.3Very low67 Ų67175 Ų17569%0.69184%0.843SS**  trans149.7140.3176.600000110.9
188D33.6Very low37.2Very low161 Ų161175.1 Ų175.186%0.86184%0.841SS**  cis-154.9166.6-11.3-157.7-4.3000110.7
189R37.5Very low36.8Very low225 Ų225179.9 Ų179.985%0.84985%0.853SS**  trans-93.1120.7176.8-69.7176170.7174.8-2.5111.1
190R34.1Very low36Very low253 Ų253181.9 Ų181.996%0.95585%0.853SS**  trans179.4111.1146.8-99.7151.8-160.3-113.27.7114
191S31.8Very low35.4Very low125 Ų125184.1 Ų184.187%0.87485%0.854SS**  -163.8159.3126.7730000109.3
192R41.5Very low35.3Very low232 Ų232192.9 Ų192.988%0.87587%0.867SS**  trans-161.6139.6179.9-142.2179.6-173.1-170.63110.9
193R37.2Very low35Very low230 Ų230197.2 Ų197.287%0.86887%0.867SS**  trans82.1156.2167.4-60.5-174.5162.5-165.3-6.1119.4
194R33.7Very low34.8Very low246 Ų246193.2 Ų193.293%0.92886%0.862SS**  trans75.9127.8-174.3-55.1-176.6179.5-160-1.1114.1
195S39.5Very low34.5Very low104 Ų104187 Ų18773%0.72785%0.854SS**  cis-168.5132-17.336.50000105.7
196E36.6Very low33.8Very low191 Ų191183.4 Ų183.489%0.89385%0.852SS**  54.581.766.3-165.3177.9-166.400114.4
197R30.7Very low33.5Very low239 Ų239178.8 Ų178.890%0.90285%0.848SS**  trans-167.7176.1138.1-133.1179.8172172.3-3.6111.7
198V31Very low33.3Very low134 Ų134183 Ų18381%0.81286%0.855SS**  trans74.377.6176-163.30000115.2
199Q32Very low34.5Very low199 Ų199180.3 Ų180.393%0.9385%0.846SS**  trans-13077.9144.6-168.6-176.923.300109.6
200E30.4Very low34.2Very low172 Ų172175.1 Ų175.180%0.80484%0.839SS**  trans-130.8139.4160.4-65.4179.3135.300105.4
201Q29.3Very low34.3Very low193 Ų193168.6 Ų168.690%0.90283%0.827SS**  cis-129.7143.917.2-57154.4-65.700111.8
202R33.2Very low34.3Very low249 Ų249169 Ų16994%0.9482%0.82SS**  trans-153.589.8150.7-164.3-177.6-170.5-156.71.5112.4
203R31Very low34Very low236 Ų236164 Ų16489%0.89181%0.81SS**  trans-152143.1163-73.6-159.8179.7-134.2-2.2106.2
204L33.3Very low33.6Very low141 Ų141163.9 Ų163.974%0.73881%0.81SS**  cis-134.4173.713.6-69.5168.4000112
205S30.8Very low33.5Very low102 Ų102156.1 Ų156.171%0.71380%0.798SS**  trans63.7143160.9550000119
206N30.1Very low33.2Very low156 Ų156157.4 Ų157.483%0.83480%0.801SS**  cis-153.5156.9-11.1-104.3-9.6000110.3
207A31.6Very low33.5Very low100 Ų100156 Ų15683%0.82680%0.799SS**  trans57.2126.9157.400000121.6
208D30.3Very low33.8Very low156 Ų156150.2 Ų150.283%0.83479%0.792SS**  trans-73179.6155.9-115.6-25.6000110.6
209P59Low33.8Very low104 Ų104148.7 Ų148.768%0.67579%0.787SS**  cis-141.6-167.812.828.8-2.1000117.4
210V31.7Very low34.7Very low115 Ų115145.1 Ų145.170%0.69778%0.782SS**  trans92.8124.2148.2-131.20000121.9
211T36.4Very low34.8Very low116 Ų116144.4 Ų144.471%0.71278%0.782SS**  trans75.5112.6146.725.90000123.3
212D31.9Very low34.9Very low134 Ų134143.1 Ų143.172%0.71778%0.775SS**  90.2138.6120.2-92-18000126
213L34.8Very low34.9Very low127 Ų127134.9 Ų134.967%0.66577%0.768SS**  trans22.9116.7147.4-62163.7000119.2
214R28.8Very low35Very low228 Ų228132.2 Ų132.286%0.8676%0.763SS**  76.6116.859.4-171.1-142.1-173.6172.72.8114.2
215A31.7Very low35Very low83 Ų83130.7 Ų130.769%0.68676%0.764SS**  trans113.3163.8143.700000119.5
216V33Very low35.1Very low130 Ų130131.3 Ų131.379%0.78877%0.768SS**  trans81.6101.9161.7-168.30000118.1
217L42.4Very low35.2Very low161 Ų161127.7 Ų127.784%0.84377%0.767SS**  trans-69.9153.5149.9-63.1166.6000109.7
218P38Very low35.2Very low118 Ų118131.2 Ų131.277%0.76677%0.772SS**  -139.7153.8125.136.1-24.5000115.1
219S30.9Very low35.3Very low102 Ų102130.3 Ų130.371%0.71377%0.767SS**  trans-119.3-172.5165.9-460000108.9
220P50.8Low34.1Very low125 Ų125134.6 Ų134.681%0.81278%0.778SS**  -120142.8-10933.3-15.6000114.6
221I31.3Very low34.1Very low156 Ų156135.6 Ų135.680%0.878%0.779SS**  trans-141.2134.8-178.3-45.1-178000112.5
222H31.5Very low33.9Very low166 Ų166138.2 Ų138.277%0.76978%0.783SS**  trans43.7125.4161.9-93.360.7000121.1
223G32.6Very low33.8Very low76 Ų76140.6 Ų140.678%0.78479%0.79SS**  trans-108.4121.8154.100000111.6
224K33.3Very low33.5Very low180 Ų180138.1 Ų138.178%0.78380%0.795SS**  trans-155.9162.9165.9-106.3-179-177.2177.40109.8
225S34.5Very low33.6Very low110 Ų110132.2 Ų132.277%0.76980%0.795SS**  trans59.8104.2174.746.70000118.8
226S33.1Very low33.4Very low115 Ų115137.2 Ų137.280%0.80480%0.804SS**  trans34.699.813057.90000120.4
227G31Very low34Very low79 Ų79136.1 Ų136.181%0.81480%0.8SS**  59.6117.4104.400000120.5
228L32.9Very low33.2Very low175 Ų175137.8 Ų137.892%0.91680%0.803SS**  trans-148147.9151.5-119.5164.4000108.9
229N31.8Very low33.1Very low137 Ų137137.1 Ų137.173%0.73381%0.808SS**  trans-89.7150.8-172.9-67.9-33.4000112.8
230Q33.7Very low33.4Very low193 Ų193136.8 Ų136.890%0.90281%0.811SS**  -156.2119.4129.9-115.5157.6101.400114.2
231N31Very low32.4Very low136 Ų136138 Ų13873%0.72781%0.811SS**  trans-24.9153.6171-48-22.1000119.9
232H32.9Very low32.9Very low172 Ų172135.6 Ų135.680%0.79680%0.803SS**  -157.9122.1121.9-90.4-47.4000114
233Q30.7Very low32.9Very low183 Ų183133.2 Ų133.286%0.85581%0.805SS**  trans65.6145143.6-55.5-18010.300122.4
234G28Very low32.9Very low76 Ų76136.2 Ų136.278%0.78480%0.804SS**  trans98.476.4167.200000115.6
235A30.1Very low33.1Very low104 Ų104134.4 Ų134.486%0.8681%0.808SS**  87.1107.764.400000114.7
236E27.3Very low33.2Very low187 Ų187137.6 Ų137.687%0.87481%0.811SS**  trans-153156164.8-105.4-79.4102.900106.7
237P46.2Very low33.2Very low108 Ų108140.1 Ų140.170%0.70181%0.81SS**  trans-95.1178.3-153.837.1-37.8000117.2
238E26.7Very low33.3Very low195 Ų195142.2 Ų142.291%0.91180%0.801SS**  trans-66.1157.5-166.2-59.4168.1108.800117.1
239A34.3Very low33.3Very low104 Ų104141.2 Ų141.286%0.8679%0.792SS**  trans-132.3138.1142.700000109.2
240A37.7Very low33.3Very low95 Ų95143.1 Ų143.179%0.78580%0.796SS**  trans-96.7164.5166.200000109.5
241D30.7Very low33.1Very low151 Ų151139.5 Ų139.581%0.80779%0.792SS**  cis-148.3167.814.6-161.514.8000113.4
242V40.7Very low33.3Very low105 Ų105139.4 Ų139.464%0.63680%0.797SS**  trans-34.1143.2178.81650000118.8
243S31.6Very low33.8Very low116 Ų116137 Ų13781%0.81180%0.796SS**  -172.4134.3126.8-77.90000113.8
244D33.4Very low33.9Very low140 Ų140136.1 Ų136.175%0.74979%0.792SS**  trans-64.8162.6177.9-52.7-77.3000113.2
245T37.7Very low34.6Very low141 Ų141137.8 Ų137.887%0.86579%0.789SS**  -161.7174.963-11.10000113.7
246E35.4Very low34.6Very low178 Ų178138.9 Ų138.983%0.83279%0.785SS**  trans-94.5-168.1-162.6-51.5-170.1111.700116.3
247E33.4Very low34.8Very low168 Ų168140.8 Ų140.879%0.78578%0.784SS**  trans75.2144.4162-64.7-156.2119.500120.4
248L32.2Very low34.4Very low122 Ų122140.6 Ų140.664%0.63978%0.783SS**  cis-165.6165.7-35.6-122.4179.4000110.2
249H34.4Very low34.5Very low154 Ų154139.9 Ų139.971%0.71378%0.777SS**  trans68.5176.4159.8-68.9-49.4000121.1
250H30.4Very low34.3Very low177 Ų177143.7 Ų143.782%0.81977%0.774SS**  trans-138.9173.5-158-52.2-54.5000113.3
251S31.3Very low33.9Very low117 Ų117146.1 Ų146.182%0.81877%0.772SS**  trans93.6139.4152-57.60000120.6
252T35Very low33.9Very low135 Ų135147 Ų14783%0.82877%0.771SS**  trans-65.8164.7167.411.10000112.4
253P42.7Very low34Very low121 Ų121147 Ų14779%0.78677%0.773SS**  cis-144.6-179.745.940.4-19.4000118.5
254E32Very low34Very low165 Ų165150 Ų15077%0.77177%0.774SS**  trans-60.5158.6161.1-120.6-163.7129.300111.1
255P42.6Very low34.3Very low110 Ų110149.2 Ų149.271%0.71478%0.777SS**  -153-170.161.934.2-9.1000117.6
256V30.5Very low33.9Very low127 Ų127145.7 Ų145.777%0.7777%0.769SS**  trans93.3127.9159.8-171.40000118.2
257R32.2Very low33.7Very low227 Ų227149.3 Ų149.386%0.85778%0.775SS**  trans-104.2155.9168-40176.9-173.5171.41.8108.6
258P38.4Very low33.7Very low105 Ų105151.2 Ų151.268%0.68278%0.78SS**  -161.6178.98243.2-23.3000118.8
259K28.1Very low33.8Very low180 Ų180154.4 Ų154.478%0.78379%0.792SS**  trans82.5126.6149.4-80163-174.7170.30121.9
260K30.3Very low33.6Very low183 Ų183153.2 Ų153.280%0.79680%0.796SS**  trans76.9135.4153.5-60.3168.9-178.5-177.60117.3
261I28.5Very low33.8Very low147 Ų147152.3 Ų152.375%0.75479%0.792SS**  cis81.9121.226-57.4165.6000111.3
262H30.2Very low34Very low170 Ų170154 Ų15479%0.78779%0.787SS**  cis-162.9-167.87.7-130.811.3000109.1
263P43.5Very low33.9Very low103 Ų103154.7 Ų154.767%0.66978%0.781SS**  cis-134.4-176.6-19.838.9-21.4000114.3
264Q31.9Very low33.4Very low179 Ų179156.8 Ų156.884%0.83678%0.78SS**  trans-101.3150.8156.9-76.7-141.7-0.100112.1
265P40Very low33.4Very low125 Ų125157.6 Ų157.681%0.81278%0.784SS**  trans-78151.9165.134.1-33.8000111
266G29.8Very low33.2Very low67 Ų67156.8 Ų156.869%0.69178%0.778SS**  cis16455.31.600000111.9K268G266-K268 PolarHBondContact O-N 3.41Å
267R30.4Very low33Very low254 Ų254162.4 Ų162.496%0.95879%0.786SS**  trans-66.2128.4177.1-77.7-177173.3175.7-1.6110.4
268K33.2Very low32.9Very low207 Ų207157 Ų15790%0.978%0.783SS**  trans-95.3138.3169.3-67.5-174.2177-1770110.7G266G266-K268 PolarHBondContact O-N 3.41Å
269Q35Very low32.8Very low190 Ų190161.6 Ų161.689%0.88879%0.792SS**  trans-128.5151.6163.8-76.9-175-2100108.1
270T30.2Very low33.2Very low129 Ų129158.9 Ų158.979%0.79179%0.793SS**  trans-131.4122.7162.5-50.80000108.7
271Q34.4Very low33.2Very low158 Ų158158.6 Ų158.674%0.73879%0.794SS**  trans-1.8153.7144.5-47.9177.39.900117.6
272Q34.4Very low33.8Very low152 Ų152157.6 Ų157.671%0.7180%0.797SS**  cis-137.2151.724.1-101.8119.244.200109.8
273Q33.8Very low34Very low150 Ų150153.6 Ų153.670%0.70179%0.794SS**  92.4106.361.5-158.81756.800114.8
274Q32.9Very low33.9Very low164 Ų164153.8 Ų153.877%0.76680%0.795SS**  trans61.7107.7151.2-60.2175.725.600122.5
275Q30.4Very low34.1Very low183 Ų183156 Ų15686%0.85580%0.796SS**  20.1163.8127.5-67.9-154.847.400123.2
276P40Very low33.9Very low92 Ų92159.3 Ų159.360%0.59780%0.797SS**  cis-143.5174.7-37.340.9-23.7000115.5
277R26.3Very low34.6Very low246 Ų246161.6 Ų161.693%0.92880%0.8SS**  trans69163.7174.1-48.2176.7177.5-178.3-0.4113.4
278S30.2Very low34.7Very low113 Ų113154.9 Ų154.979%0.7978%0.783SS**  cis-138-177.60.4590000111
279K35.1Very low34.9Very low201 Ų201155.4 Ų155.487%0.87478%0.779SS**  trans-83.6155.2172.4-73.3-176.2176.6-1790111.5
280P37.6Very low35.1Very low124 Ų124150.2 Ų150.281%0.80578%0.776SS**  -128.7165.9124.317.71.6000116
281E30.1Very low35.6Very low176 Ų176155.7 Ų155.782%0.82278%0.783SS**  trans-38.9149.3170.7-179.8171.6-163.600120
282P40.3Very low36.1Very low127 Ų127157.8 Ų157.883%0.82579%0.789SS**  trans-122.3126.2166.236.9-23.7000115
283A34.2Very low36.7Very low86 Ų86156 Ų15671%0.71179%0.791SS**  trans-158.5164.616800000110.1
284P42.7Very low37.4Very low107 Ų107155.6 Ų155.670%0.69579%0.793SS**  cis-132.5154.82.339.3-22.5000117.3
285R34.8Very low38.1Very low225 Ų225159.5 Ų159.585%0.84980%0.801SS**  trans57.1113.8138.8-63.2171.6-169.3-163.23.1119.6
286K35.2Very low39.2Very low195 Ų195156 Ų15685%0.84879%0.792SS**  81.5159.177.4-80.5-178.7-179.5-177.80114
287P45.9Very low39.9Very low115 Ų115157.2 Ų157.275%0.74780%0.8SS**  cis-111.1-1675.840.1-23.4000112.2
288D32.7Very low41.1Very low112 Ų112153.6 Ų153.660%0.59980%0.798SS**  cis-161.3165.237.9-161.625.9000118.2
289R35.8Very low42.5Very low219 Ų219157.5 Ų157.583%0.82680%0.801SS**  trans22.2112.6164.4-77.7162.5-174.3109.4-6.7120.7
290G39Very low44.2Very low80 Ų80155.3 Ų155.383%0.82579%0.792SS**  trans179.879.7160.200000114.4
291R41.6Very low45Very low245 Ų245154.4 Ų154.493%0.92579%0.785SS**  trans-92.4130.3-177.8-64.7-173.6-176.3-162.23.6112.9
292K44Very low46Very low201 Ų201157.1 Ų157.187%0.87479%0.788SS**  -169.2152.8107.8-82.8-126.9-179.6177.30110.8
293P48.8Very low46.5Very low115 Ų115157.9 Ų157.975%0.74778%0.781SS**  trans-102.7169.6-16740.5-36.5000114.7
294D47.8Very low47.5Very low141 Ų141160.4 Ų160.475%0.75478%0.782SS**  trans59.6115.7151.3-150.5-5.6000119.3
295R48Very low48Very low246 Ų246161.1 Ų161.193%0.92879%0.787SS**  trans-129.499.5165.6-91.5-171.1170.6178-1.2109.8
296V54.1Low49.1Very low110 Ų110159.6 Ų159.667%0.66779%0.787SS**  trans-46135.8173.4-176.90000112L298V296-L298 PolarHBondContact O-N 3.49Å
297P53.9Low49.7Very low117 Ų117156.6 Ų156.676%0.7679%0.787SS**PPolyproline II helixtrans-57.6130.3172.8-24.934.6000112.5K299P297-K299 PolarHBondContact O-N 3.02Å
298L52.2Low49.7Very low171 Ų171163.1 Ų163.190%0.89580%0.796SS**PPolyproline II helixtrans-62.3124.1-178.9-9465.8000111.7V296V296-L298 PolarHBondContact O-N 3.49Å
299K57.7Low49.9Very low195 Ų195162.5 Ų162.585%0.84881%0.807SS**PPolyproline II helixtrans-64.7143.7171.6-82-172.5172.5-177.60111.7P297P297-K299 PolarHBondContact O-N 3.02Å
300K72.2Confident50.2Low155 Ų155162.2 Ų162.267%0.67481%0.806SS**PPolyproline II helixtrans-72.8135.2170.7-63.7168.2-175168.60109.4W302K300-W302 PolarHBondContact O-N 3.3Å
301P53.3Low50.3Low104 Ų104164 Ų16468%0.67581%0.806SS**THydrogen-bonded Turntrans-64.7-11.7-172.4-26.235.7000116.9
302W50.9Low50.4Low234 Ų234160.5 Ų160.589%0.88680%0.797SS**THydrogen-bonded Turntrans-103.6-7.3-166.5-55.1101.9000114.3K300 N304K300-W302 PolarHBondContact O-N 3.3Å; W302-N304 PolarHBondContact O-N 2.98Å
303E52Low50Low143 Ų143156.2 Ų156.267%0.66879%0.792SS**  trans-93.586.4177.9-69.9179.9110.800111.2P305E303-P305 VanDerWaalsContact O-CD 3.3Å; E303-P305 WeakPolarHBondContact O-CD 3.28Å
304N54.3Low49.5Very low138 Ų138160.8 Ų160.874%0.73880%0.795SS**  trans-106.596.6175.7-81.4-66.8000111.7W302 K306W302-N304 PolarHBondContact O-N 2.98Å; N304-K306 PolarHBondContact O-N 3.46Å
305P54.9Low48.7Very low122 Ų122160.2 Ų160.279%0.79279%0.792SS**  trans-85.670.3-17635.2-37000112.4E303E303-P305 VanDerWaalsContact O-CD 3.3Å; E303-P305 WeakPolarHBondContact O-CD 3.28Å
306K56.2Low48.3Very low194 Ų194159.6 Ų159.684%0.84379%0.79SS**  trans-140.1123.2166.1-70.8-167.4177.3-175.70111.5N304 R308N304-K306 PolarHBondContact O-N 3.46Å; K306-R308 PolarHBondContact O-N 2.83Å
307P48.8Very low47.7Very low131 Ų131161.1 Ų161.185%0.85180%0.799SS**PPolyproline II helixtrans-72.6126.2175.429.6-33000110.4
308R44.9Very low46.8Very low252 Ų252159.4 Ų159.495%0.95180%0.795SS**PPolyproline II helixtrans-74.6140.8174-162.7172.4-175.7-1741110.2K306K306-R308 PolarHBondContact O-N 2.83Å
309A37.4Very low46Very low100 Ų100157.3 Ų157.383%0.82679%0.789SS**PPolyproline II helixtrans-64.7159.4-164.300000115.8
310R43.2Very low44.9Very low213 Ų213159.4 Ų159.480%0.80479%0.792SS**  trans-108.6125.4-176.7169.1-160.2-176.2-164.67110.8
311S40.7Very low43Very low116 Ų116155 Ų15581%0.81179%0.791SS**  trans-130.3131.3154.2470000108.4
312K42.5Very low42.2Very low173 Ų173161.7 Ų161.775%0.75280%0.803SS**  cis85.458.236.1-78.7-84.2-163.7162.70115.6
313S36.6Very low41.3Very low110 Ų110154.3 Ų154.377%0.76979%0.791SS**  trans-153.5133.1134.3-156.30000106.2
314R37.5Very low40.5Very low212 Ų212152 Ų15280%0.880%0.796SS**  cis72.6120.839.4-163.9-177.5175.3172.81110.3
315D31Very low39.9Very low129 Ų129151 Ų15169%0.6980%0.798SS**  cis-135.2-169.313.7-124.4-22.3000114.9
316R40.6Very low39.4Very low233 Ų233150.8 Ų150.888%0.87980%0.796SS**  trans-116.1141.5177.1-67172.6170.7167.9-5.3113.3
317T40.7Very low38.8Very low142 Ų142147.7 Ų147.787%0.87180%0.796SS**  trans-155.5125.4146.522.10000108.3
318A35.9Very low38.5Very low81 Ų81150.5 Ų150.567%0.66980%0.798SS**  72.9119.5100.400000113.4
319T35Very low37.9Very low127 Ų127143.5 Ų143.578%0.77979%0.787SS**  62.4126.764.5-46.40000110.6
320R34.7Very low38.2Very low238 Ų238146 Ų14690%0.89879%0.787SS**  cis-140172.412.7-120.4155.2-176.6172.7-1.4106.6
321G31.3Very low38.4Very low63 Ų63145.3 Ų145.365%0.64979%0.79SS**  cis100.488.822.400000112.4
322R37.3Very low38.7Very low245 Ų245147 Ų14793%0.92579%0.789SS**  trans163.9159160-96.6-172.3-177-85.81.3108.8
323A31.7Very low39Very low79 Ų79146.5 Ų146.565%0.65379%0.794SS**  cis-157168.1-18.900000109
324A35.1Very low39.4Very low93 Ų93148 Ų14877%0.76980%0.799SS**PPolyproline II helixtrans-88.4151.4174.300000112.6
325P42.6Very low40.2Very low118 Ų118142.9 Ų142.977%0.76680%0.796SS**PPolyproline II helixtrans-70.1165.3160.3-15.931.8000112.7
326P43.3Very low40.8Very low117 Ų117144.1 Ų144.176%0.7680%0.802SS**PPolyproline II helixtrans-78.8164.7-174.532.6-36.3000114.4
327P44.8Very low40.8Very low130 Ų130136.4 Ų136.484%0.84480%0.795SS**PPolyproline II helixtrans-79.7152.1-176.133.1-36.4000113.4
328Q41.4Very low40.8Very low190 Ų190139.1 Ų139.189%0.88880%0.795SS**  trans-129.2128.2168.1-73-169.5-37.700112.4
329S33.6Very low41Very low105 Ų105142 Ų14273%0.73480%0.799SS**  trans-18.3127.917455.90000120.2
330N42.7Very low42.3Very low151 Ų151142.8 Ų142.881%0.80780%0.798SS**  trans0.6126.9133.7-57.1-17.8000117.6
331K47.4Very low43Very low200 Ų200136.2 Ų136.287%0.8779%0.785SS**  trans-161.1116.8138.5-105.9145.4-172175.90112.2
332L47.9Very low43.9Very low152 Ų152141.3 Ų141.380%0.79679%0.789SS**  trans8.2135.8154.7-51.2174.5000119.3
333N47Very low44.5Very low161 Ų161136.5 Ų136.586%0.86178%0.782SS**  -165.3123.6104.7-93.4-26.6000112.1
334T46.8Very low45.4Very low142 Ų142140.4 Ų140.487%0.87179%0.785SS**  trans-112.6109.1169.8-60.80000108.2
335S52.8Low45.9Very low105 Ų105143 Ų14373%0.73479%0.785SS**  trans164.2124.4151.841.70000111
336L44.4Very low46.1Very low155 Ų155143.9 Ų143.981%0.81279%0.793SS**  -168.4122.1112.8-127.768.3000107.8
337G40.4Very low46.4Very low71 Ų71146 Ų14673%0.73279%0.793SS**  trans-75.8138.216300000108.5
338F39.7Very low46.9Very low198 Ų198148.6 Ų148.687%0.86879%0.794SS**  trans-105.2123.8167.1-136.7-87.2000108.1
339N40.6Very low47.5Very low142 Ų142145.2 Ų145.276%0.75979%0.786SS**  trans-75.7144.4-179.1-78.4-13.7000111.1T341N339-T341 PolarHBondContact O-N 2.88Å
340D63.3Low48.3Very low143 Ų143145.6 Ų145.677%0.76578%0.784SS**  trans-27.3123.8145.2174.718.7000113.7
341T48.6Very low48.7Very low100 Ų100146.8 Ų146.861%0.61378%0.784SS**  trans-159.2142.2152.7-44.10000107.5N339N339-T341 PolarHBondContact O-N 2.88Å
342F50.2Low49Very low170 Ų170144.5 Ų144.575%0.74678%0.78SS**  trans73.561.3179.2-49-72.3000115.9F344F342-F344 AromaticContact CD1-CD2 4Å; F342-F344 HydrophobicContact CD1-CD2 4Å; F342-F344 AromaticContact CD1-CE2 3.88Å; F342-F344 HydrophobicContact CD1-CE2 3.88Å; F342-F344 HydrophobicContact CE1-CE2 4.44Å
343D51.2Low49.3Very low144 Ų144142 Ų14277%0.7777%0.77SS**  trans-76133.9136.7-161.28000108.4
344F49.8Very low49.6Very low162 Ų162140.2 Ų140.271%0.71177%0.768SS**  trans-161.6130.4174.6-93.9-68.8000109.2F342 C346F342-F344 AromaticContact CD1-CD2 4Å; F342-F344 HydrophobicContact CD1-CD2 4Å; F342-F344 AromaticContact CD1-CE2 3.88Å; F342-F344 HydrophobicContact CD1-CE2 3.88Å; F342-F344 HydrophobicContact CE1-CE2 4.44Å; F344-C346 PolarHBondContact O-N 3.16Å
345D45.4Very low49.3Very low146 Ų146142 Ų14278%0.78176%0.764SS**  trans-63.8117.5-173.5-57.1-91.7000112.9E347D345-E347 PolarHBondContact O-N 2.92Å
346C47.3Very low48.8Very low137 Ų137146.2 Ų146.293%0.92677%0.769SS**  trans-75.677167.5-730000110.2F344F344-C346 PolarHBondContact O-N 3.16Å
347E49.8Very low48.8Very low162 Ų162143.8 Ų143.876%0.75777%0.771SS**  trans-58158.8171-69.1-166.1143.900112.5D345 T349D345-E347 PolarHBondContact O-N 2.92Å; E347-T349 VanDerWaalsContact C-N 3.31Å; E347-T349 PolarHBondContact O-N 2.91Å
348E54.7Low48.8Very low185 Ų185150.4 Ų150.486%0.86478%0.78SS**  trans-70.375.2-166.4-167.1173.1-177.800113.4V350E348-V350 PolarHBondContact O-N 3.38Å
349T53.7Low49Very low119 Ų119145.1 Ų145.173%0.7377%0.773SS**  trans-7487.2177.738.70000111.7E347 H351E347-T349 VanDerWaalsContact C-N 3.31Å; E347-T349 PolarHBondContact O-N 2.91Å; T349-H351 PolarHBondContact O-N 3.29Å; T349-H351 VanDerWaalsContact O-N 3.11Å
350V51.4Low49Very low113 Ų113147.1 Ų147.169%0.68578%0.778SS**  trans-48.7116.6171.4177.30000110.4E348 I352E348-V350 PolarHBondContact O-N 3.38Å; V350-I352 PolarHBondContact O-N 3.36Å
351H51.3Low47.8Very low176 Ų176148.4 Ų148.482%0.81578%0.779SS**  trans-68.789175-70.9-38.9000111.2T349 T353T349-H351 PolarHBondContact O-N 3.29Å; T349-H351 VanDerWaalsContact O-N 3.11Å; H351-T353 PolarHBondContact O-N 3.31Å
352I51.9Low47.1Very low152 Ų152151 Ų15178%0.77979%0.789SS**  trans-62.7103.9170.1-64.4171.6000108.7V350V350-I352 PolarHBondContact O-N 3.36Å
353T55.8Low46.5Very low98 Ų98151.2 Ų151.260%0.60179%0.792SS**  trans-69.4123.7178.545.80000110.8H351 F355H351-T353 PolarHBondContact O-N 3.31Å; T353-F355 PolarHBondContact O-N 3.34Å
354P52.9Low46.3Very low124 Ų124149.7 Ų149.781%0.80579%0.79SS**  trans-80.580.6-168.631.9-36.8000112.9
355F40.7Very low45.3Very low180 Ų180146.8 Ų146.879%0.78980%0.796SS**  trans-10678.6174.6-76.8-70.4000113.4T353T353-F355 PolarHBondContact O-N 3.34Å
356K40.9Very low44.6Very low194 Ų194146.2 Ų146.284%0.84380%0.798SS**  trans53.586.2149.4-53-17171.7178.40117.4
357A44.5Very low44.3Very low104 Ų104144.6 Ų144.686%0.8679%0.786SS**  trans-63.3150.515500000111.5
358K41.1Very low43.4Very low210 Ų210144.4 Ų144.491%0.91379%0.788SS**  trans-96.7155156.7-96.9-77.2-167.41620108
359A44.4Very low42.1Very low86 Ų86139.6 Ų139.671%0.71178%0.775SS**  trans-106.5146.5-170.500000112.2
360E40.7Very low41Very low185 Ų185141.8 Ų141.886%0.86478%0.777SS**  trans-179.5106.4146.1-96.3149.5-137.700103.5
361E38Very low40.1Very low170 Ų170144.7 Ų144.779%0.79478%0.783SS**  72.196.571.2-172.8161.3-135.500113
362N33.6Very low38.9Very low154 Ų154140.5 Ų140.582%0.82477%0.774SS**  -167.3166.2118.5-104.1-74.1000111.4
363Q36.5Very low37.8Very low174 Ų174142.5 Ų142.581%0.81378%0.78SS**  trans-116.5-168-174-74.7-85.811.800109.8
364P47.6Very low36.6Very low112 Ų112141.3 Ų141.373%0.72778%0.78SS**  -125.1163.2-117.431.5-8.5000115.5
365A28.8Very low35.5Very low101 Ų101143.9 Ų143.984%0.83578%0.781SS**  trans-174.6140.3148.200000113.3
366T31.7Very low34.9Very low134 Ų134141.5 Ų141.582%0.82278%0.777SS**  trans-103.8165.9143.951.80000106.7
367P39.4Very low34.5Very low104 Ų104137.1 Ų137.168%0.67577%0.771SS**  cis-153.8176.829.345.3-24.5000119.7
368I30.8Very low33.9Very low157 Ų157136.6 Ų136.681%0.80577%0.766SS**  trans73.5127.8139.3-78.2161.2000122.4
369S27.6Very low33.4Very low84 Ų84131.4 Ų131.459%0.58776%0.762SS**  trans79.5147.8151.4-112.50000124.6
370E32.3Very low33.3Very low165 Ų165133.9 Ų133.977%0.77177%0.769SS**  trans60.8148.6152.6-75.9137.4-116.300119.7
371E30.7Very low33.8Very low174 Ų174130.2 Ų130.281%0.81376%0.761SS**  cis-152.9177.2-20.2-176.1157.8-150.400109.6
372S27.5Very low33.7Very low89 Ų89130.1 Ų130.162%0.62276%0.758SS**  trans-63.6155-179.2-430000116.6
373Q29.3Very low33.6Very low194 Ų194130.5 Ų130.591%0.90776%0.755SS**  trans65.6166.7152.1-70.3171.9-19.200117.9
374A30Very low33.5Very low73 Ų73126.6 Ų126.660%0.60375%0.747SS**  cis-168.2158-38.100000108.7
375E30Very low32.6Very low177 Ų177128.9 Ų128.983%0.82775%0.748SS**  trans58.4170.9177.3-39.7-54.298.700115.2
376D27.4Very low32.6Very low131 Ų131130 Ų13070%0.70175%0.745SS**  cis-150153.21.5-164-0000111.5
377S33.6Very low32.6Very low101 Ų101129.5 Ų129.571%0.70675%0.746SS**  trans44154.3148.8-73.70000124.4
378A31.2Very low32.2Very low93 Ų93129.6 Ų129.677%0.76975%0.749SS**  cis-174.1143.7-23.500000110.5
379A31.2Very low32.2Very low101 Ų101127.1 Ų127.184%0.83575%0.746SS**  trans-165.4125.5154.700000111.9
380V40.7Very low32.4Very low139 Ų139128.3 Ų128.384%0.84275%0.754SS**  trans-145.1142.3-172.3176.30000105.3
381P52.4Low33Very low108 Ų108126.4 Ų126.470%0.70176%0.756SS**  -150-177.964.538.8-13.6000115.6
382K34.7Very low32.9Very low168 Ų168122.6 Ų122.673%0.7375%0.749SS**  cis-15215930.9-71.4179.6173-1790114.5
383Q33.2Very low33.7Very low161 Ų161124.3 Ų124.375%0.75276%0.761SS**  trans65.1106.9149-72.4159.4-50.200117.5
384S32.6Very low34.1Very low93 Ų93123.6 Ų123.665%0.6576%0.757SS**  71.212470.573.10000112.8
385E29.8Very low34.6Very low160 Ų160125.7 Ų125.775%0.74877%0.767SS**  cis-146.5156.843.4-77.2-79.9103.400115
386T28.8Very low35Very low125 Ų125126 Ų12677%0.76777%0.769SS**  trans52.6129.3149.756.80000124.3
387S31.6Very low36.2Very low122 Ų122127 Ų12785%0.85377%0.774SS**  trans-76.4165.9171.7-33.50000115.4
388S30.9Very low37.2Very low107 Ų107127 Ų12775%0.74877%0.774SS**  176.4140.4117.1-164.80000115.8
389S31.1Very low38.3Very low104 Ų104129.2 Ų129.273%0.72777%0.773SS**  trans42.9132.3142.965.20000124.8
390S30.5Very low39.3Very low109 Ų109134 Ų13476%0.76277%0.77SS**  trans-60.1-176.5148.7-30.60000112.8
391P45.9Very low40Very low126 Ų126133.2 Ų133.282%0.81877%0.766SS**  cis-134.3-179.1-343.1-27.2000114.8
392S28.6Very low39.8Very low94 Ų94132.1 Ų132.166%0.65776%0.758SS**  trans-156.6157.9147.1-168.80000111.3
393S43.3Very low40.2Very low124 Ų124133 Ų13387%0.86777%0.765SS**  trans-131.5123.2164.4-71.20000108.6
394E39Very low40.8Very low180 Ų180136.5 Ų136.584%0.84177%0.772SS**  trans-139.8147.6169.157.8-1609900110.7
395S39Very low41.7Very low116 Ų116138.2 Ų138.281%0.81178%0.78SS**  trans-117.2120.3-161.556.90000111.7
396E38.5Very low42.3Very low183 Ų183142.1 Ų142.186%0.85579%0.788SS**  trans-115101.9169.6-67.8-151.2139.300112.1S398E396-S398 VanDerWaalsContact C-N 3.3Å; E396-S398 PolarHBondContact O-N 3.22Å
397D52.5Low42.8Very low152 Ų152146.9 Ų146.981%0.81379%0.792SS**  trans-68.985.8164.6176.323.4000109.8
398S54.6Low43.1Very low101 Ų101152.6 Ų152.671%0.70680%0.795SS**  trans-107.590.3-177.1-166.50000111.3E396 Y400E396-S398 VanDerWaalsContact C-N 3.3Å; E396-S398 PolarHBondContact O-N 3.22Å; S398-Y400 PolarHBondContact O-N 3.26Å
399L55.3Low43.5Very low141 Ų141155.6 Ų155.674%0.73880%0.797SS**  trans-58.3120.2177.5-67.8175.3000111.6V401L399-V401 PolarHBondContact O-N 3.09Å; L399-V401 VanDerWaalsContact O-N 3.13Å
400Y53.1Low43.6Very low201 Ų201156.3 Ų156.379%0.78880%0.802SS**  trans-49.4113.8-176.5172.6-112.4000113.8S398 P402S398-Y400 PolarHBondContact O-N 3.26Å; Y400-P402 HydrophobicContact CD1-CG 4.18Å; Y400-P402 HydrophobicContact CE1-CB 4.27Å; Y400-P402 HydrophobicContact CE1-CG 3.76Å; Y400-P402 WeakPolarHBondContact O-CD 3.3Å
401V55.2Low43.9Very low123 Ų123156.6 Ų156.675%0.74580%0.804SS**  trans-97.9111.3172.9-179.90000109.9L399 Q403L399-V401 PolarHBondContact O-N 3.09Å; L399-V401 VanDerWaalsContact O-N 3.13Å; V401-Q403 PolarHBondContact O-N 3.02Å
402P46.7Very low44.1Very low84 Ų84156.1 Ų156.155%0.54580%0.801SS.*PPolyproline II helixtrans-65.8120178.6-19.131000111.7Y400 R404Y400-P402 HydrophobicContact CD1-CG 4.18Å; Y400-P402 HydrophobicContact CE1-CB 4.27Å; Y400-P402 HydrophobicContact CE1-CG 3.76Å; Y400-P402 WeakPolarHBondContact O-CD 3.3Å; P402-R404 PolarHBondContact O-N 3.24Å
403Q43.1Very low44.3Very low187 Ų187157.3 Ų157.387%0.87480%0.804SS**PPolyproline II helixtrans-63.8127.7177.4-63.8-171.49.900111V401V401-Q403 PolarHBondContact O-N 3.02Å
404R47.3Very low44.2Very low235 Ų235160.8 Ų160.889%0.88780%0.804SS**PPolyproline II helixtrans-82.7126.2177.4-66.9-177.8178.7177.90.8110.6P402 R406P402-R404 PolarHBondContact O-N 3.24Å; R404-R406 PolarHBondContact O-N 2.94Å
405P51.8Low44.3Very low129 Ų129158 Ų15884%0.83880%0.799SS**PPolyproline II helixtrans-63.2131.3176.525.3-33.3000111R407P405-R407 PolarHBondContact O-N 3.13Å
406R41.9Very low44.7Very low241 Ų241162.7 Ų162.791%0.90981%0.805SS**PPolyproline II helixtrans-70.1122.5-177.3-80.4-176.4167.7-174.3-3.1111.6R404 R408R404-R406 PolarHBondContact O-N 2.94Å; R406-R408 PolarHBondContact O-N 3.21Å; R406-R408 VanDerWaalsContact O-N 3.13Å
407R39.3Very low44.7Very low226 Ų226159.7 Ų159.785%0.85380%0.799SS**  trans-57.9108.3168.4-177.5-174.5-171.7-172.93.6110P405P405-R407 PolarHBondContact O-N 3.13Å
408R38.3Very low43.9Very low242 Ų242160.8 Ų160.891%0.91380%0.803SS**  trans-68.2138169.8-74.1-169.4175.9-163-0.9110R406R406-R408 PolarHBondContact O-N 3.21Å; R406-R408 VanDerWaalsContact O-N 3.13Å
409Q39.5Very low42.9Very low169 Ų169159.8 Ų159.879%0.7980%0.801SS**  trans-89.5139.1167.4-67.5-8318.300108.4
410S31.2Very low42.3Very low120 Ų120159.2 Ų159.284%0.83980%0.803SS**  trans-135.5140.8157.952.90000108.4
411S38Very low41.5Very low115 Ų115162 Ų16280%0.80481%0.812SS**  trans-97.1-179-166.973.10000110.6
412P49.2Very low40.3Very low116 Ų116159.7 Ų159.775%0.75381%0.813SS**  trans-104.5-145.8-137.441.9-35.2000113.7
413V33.3Very low39.6Very low119 Ų119159.5 Ų159.572%0.72183%0.827SS**  trans84.4131.8-176.9-170.80000111.9
414K42.2Very low39.4Very low196 Ų196162.9 Ų162.985%0.85283%0.831SS**  cis-137.8154.813.9-133.7143.6-154.6170.20112.2
415T39.9Very low38.9Very low122 Ų122163 Ų16375%0.74883%0.832SS**  trans-78.7141.6-176.8-36.20000113.8V417T415-V417 HydrophobicContact CG2-CG2 4.37Å
416K46.9Very low38.1Very low214 Ų214162.5 Ų162.593%0.9383%0.832SS**  trans-140.7130.2148.2-74.6-163176.9-176.80111.3
417V39.7Very low37.9Very low120 Ų120159 Ų15973%0.72783%0.826SS**  trans-110.1145.7172.3173.60000108.1T415T415-V417 HydrophobicContact CG2-CG2 4.37Å
418I35.7Very low37.6Very low176 Ų176155.6 Ų155.690%0.90382%0.823SS**  trans-164153.7156.1-101.3146.6000108.2
419A34.4Very low37.3Very low79 Ų79150.5 Ų150.565%0.65382%0.818SS**  trans-134156-159.600000116.3
420T40.7Very low37.3Very low129 Ų129153.5 Ų153.579%0.79182%0.822SS**  trans25.2112.9148.7590000121.5
421R36.7Very low37.6Very low261 Ų261158.1 Ų158.199%0.98583%0.827SS**  trans166.4162.1136.5-96.5172.4172.6-165.5-1.1107.6
422G30.9Very low37.7Very low74 Ų74161 Ų16176%0.76383%0.825SS**  cis175.5133.2-6.200000107.9
423G32.8Very low37Very low80 Ų80164.3 Ų164.383%0.82583%0.831SS**  trans-90.6164-166.200000116.3
424R37Very low37.2Very low257 Ų257163.9 Ų163.997%0.9782%0.824SS**  trans-152.9168.7160.1-113.6177.5-167.4-123.51.9112.7
425R37.4Very low36.8Very low237 Ų237162.2 Ų162.289%0.89482%0.823SS**  trans-106.2164179.6-61.6172.6172.3172.5-4.8111
426S34.6Very low37Very low120 Ų120161.7 Ų161.784%0.83982%0.822SS**  trans-122.5166.7154.951.40000111
427Q38Very low37.6Very low168 Ų168157.3 Ų157.379%0.78582%0.815SS**  trans-135.1-164.4-177-72.8-171.3-20.100109.8
428I32.6Very low37.3Very low154 Ų154158.1 Ų158.179%0.7982%0.82SS**  trans83136.8158.2-62.4166000115
429V32.4Very low37.7Very low134 Ų134154.9 Ų154.981%0.81281%0.811SS**  cis-157.9172.6-34.6103.60000109.3
430R40.7Very low37.7Very low232 Ų232160.4 Ų160.488%0.87582%0.82SS**  trans-77.1153.9-177.9-57.2170.8176.6166-3.2114.1
431K36.4Very low37.4Very low217 Ų217162.2 Ų162.294%0.94382%0.823SS**  trans-131.5166.5135.5-77.2-163.6175.5-175.40110.1
432K39.5Very low37.2Very low176 Ų176154 Ų15477%0.76581%0.806SS**  trans-156.6138.4-170.1-174-160.7-179.8-160.60109.2
433E36Very low37Very low186 Ų186156 Ų15687%0.86980%0.803SS**  trans-142.9164.6179.2-149.8138.6-127.400110.7
434N35.8Very low36.9Very low109 Ų109161 Ų16158%0.58380%0.802SS**  trans-153.2173.4-168.6-46.3-103.8000111.8
435I35.9Very low36.5Very low162 Ų162157 Ų15783%0.83179%0.787SS**  trans78.3148.6163.8-55.6159.6000114.5
436P43.4Very low36.2Very low111 Ų111152.6 Ų152.672%0.72178%0.781SS**  cis-120.7178.3-12.228.5-8.3000115.3
437P59.8Low36.2Very low122 Ų122152.5 Ų152.579%0.79277%0.767SS**  trans-120.6146.9168.839-27.2000115.5
438T33.1Very low35.9Very low137 Ų137152.9 Ų152.984%0.8477%0.769SS**  trans-147.2-179.8171.762.30000111.1
439P42.7Very low36Very low107 Ų107150.4 Ų150.470%0.69577%0.765SS**  -136.5165.1-86.740.7-22.3000118.2
440K35.2Very low35.8Very low195 Ų195152.8 Ų152.885%0.84877%0.765SS**  trans28.9146.3142.3-59.2175.6179.3178.60123
441I35.2Very low35.3Very low168 Ų168149.6 Ų149.686%0.86277%0.765SS**  trans159.2143.3138.7-89159.6000109.7
442S31Very low34.9Very low89 Ų89147.1 Ų147.162%0.62276%0.756SS**  cis-170163.8-19.961.80000112.2
443V28.5Very low34.3Very low114 Ų114144.8 Ų144.869%0.69176%0.756SS**  trans50.6163162.2-106.80000120.2
444F28.8Very low34.1Very low185 Ų185139.1 Ų139.181%0.81174%0.742SS**  cis-116.2159.3-15.2-87.6-97.9000107.9
445R30.4Very low33.8Very low173 Ų173145.5 Ų145.565%0.65376%0.757SS**  cis79.4137.537.9-120.2-74-175.2-119.622.2114.3E447R445-E447 IonicContact CZ-OE1 3.09Å; R445-E447 IonicContact NH1-OE1 2.66Å; R445-E447 PolarHBondContact NH1-OE1 2.69Å; R445-E447 IonicContact NH2-OE1 2.82Å; R445-E447 PolarHBondContact NH2-OE1 3.49Å
446D29.4Very low33.4Very low145 Ų145143.4 Ų143.478%0.77576%0.757SS**  trans108.8101.1-175.2-59.3-7.7000110.7
447E35.5Very low32.7Very low118 Ų118141.1 Ų141.155%0.55175%0.754SS**  76.6127.357.1-62.2-65-172.600116.3R445R445-E447 IonicContact CZ-OE1 3.09Å; R445-E447 IonicContact NH1-OE1 2.66Å; R445-E447 PolarHBondContact NH1-OE1 2.69Å; R445-E447 IonicContact NH2-OE1 2.82Å; R445-E447 PolarHBondContact NH2-OE1 3.49Å
448E31.4Very low31.3Very low177 Ų177146 Ų14683%0.82776%0.762SS**  trans39.6143.1148.1-75-176.1170.600122.6
449S34Very low31Very low101 Ų101142.8 Ų142.871%0.70676%0.757SS**  cis-161.7158.61.555.50000114.6
450K28.3Very low30.3Very low184 Ų184147.4 Ų147.480%0.877%0.769SS**  trans34.8125.4131.5-171.7-178.4178.4-174.30121.1
451L29.8Very low30Very low166 Ų166146.3 Ų146.387%0.86977%0.767SS**  -163.8168.4116.8-102.3169.8000111.2
452E28.5Very low29.7Very low164 Ų164143.3 Ų143.377%0.76676%0.761SS**  trans-142.7-166.4-163-146.3-122.8-126.200113
453V28.4Very low29.7Very low127 Ų127147 Ų14777%0.7777%0.768SS**  trans76.8145.7172-166.90000116.9
454A29.9Very low30Very low68 Ų68149.8 Ų149.856%0.56277%0.774SS**  cis-172.4149.2-48.700000111.6
455R29.5Very low29.9Very low242 Ų242150.9 Ų150.991%0.91378%0.778SS**  trans61.4174.4155.3-67.2168.8-173.9-177.72.5116.3
456S27.9Very low29.9Very low118 Ų118150.4 Ų150.483%0.82578%0.783SS**  cis-168.9162.6-34.652.50000108.2
457G28.7Very low29.9Very low63 Ų63151.4 Ų151.465%0.64978%0.783SS**  cis151.5146-0.900000111.8
458K30.6Very low29.6Very low224 Ų224157.5 Ų157.597%0.97480%0.801SS**  trans75.3148.5-165.8-51.4177.8178-175.50113.3
459G26.2Very low29.8Very low70 Ų70156.1 Ų156.172%0.72280%0.799SS**  cis-168.5-162.95.200000106.3
460E29.9Very low29.5Very low205 Ų205161.7 Ų161.796%0.95881%0.805SS**  cis-141.7-150.80.7-64.3-166.7130.200110.4
461E28.5Very low30.1Very low171 Ų171159.3 Ų159.380%0.79981%0.806SS**  trans-133.1146.8-160.3171.4176.7-155.700112.3
462S28.2Very low30.4Very low106 Ų106158.3 Ų158.374%0.74180%0.797SS**  trans-176.4123.7145.930.20000116.7
463H31Very low31.2Very low166 Ų166158.4 Ų158.477%0.76980%0.803SS**  trans43.2130.7136.4-53-53.8000126
464Q35Very low31.6Very low173 Ų173155.8 Ų155.881%0.80880%0.801SS**  trans-48.6159.5159.8-56.3158.1-44.200116.1
465K27Very low32.2Very low208 Ų208162 Ų16290%0.90482%0.816SS**  -149.3164.1128-118.8171.3-174.5174.10111.9
466H30.2Very low33.4Very low162 Ų162156 Ų15675%0.7581%0.808SS**  trans-108.5153.7-178.9-84.3-8.9000112.6
467Q29.9Very low34.8Very low167 Ų167155.2 Ų155.278%0.7881%0.809SS**  trans26.4132.5147.6-66.2176.2-23.900120.5
468R27.9Very low36.6Very low246 Ų246156.2 Ų156.293%0.92880%0.802SS**  -135.6146.7129.9-72.6-170.8179.3171.1-0.7108.8
469D35.4Very low38.9Very low148 Ų148148.5 Ų148.579%0.79178%0.777SS**  trans-73.4151.4173.7-57.6-72.6000112.1
470R29.4Very low41.3Very low217 Ų217149.7 Ų149.782%0.81977%0.772SS**  trans-141.6129.1148-88.8-160.7172.6-152.21.2109.3E472R470-E472 IonicContact NH1-OE1 3.56Å
471T39.8Very low43.3Very low134 Ų134145.9 Ų145.982%0.82276%0.757SS**  trans-79.7125.7163.246.60000108.9
472E36Very low45.7Very low146 Ų146142.1 Ų142.168%0.68274%0.742SS**  trans-141.1140.3167.1-63.5-69.7173.200106.9R470 G474R470-E472 IonicContact NH1-OE1 3.56Å; E472-G474 PolarHBondContact O-N 3.3Å
473D45.1Very low48Very low166 Ų166142.6 Ų142.689%0.88873%0.732SS**  trans-73.2107.2-173.9-75.5-65.1000112.4
474G37Very low50.2Low72 Ų72137 Ų13774%0.74271%0.714SS**  trans-103.1103.4178.400000112.7E472E472-G474 PolarHBondContact O-N 3.3Å
475F43.4Very low52.2Low198 Ų198133.2 Ų133.287%0.86870%0.697SS**PPolyproline II helixtrans-56.4140.2165.2-69.6-85.6000110.3A477F475-A477 PolarHBondContact O-N 2.88Å
476P53.7Low54.6Low115 Ų115128.3 Ų128.375%0.74768%0.678SS**PPolyproline II helixtrans-63.6127.7-179.626.4-34000110.3V478P476-V478 PolarHBondContact O-N 3.26Å; P476-V478 VanDerWaalsContact O-N 3.11Å
477A57.5Low57Low103 Ų103126.5 Ų126.585%0.85167%0.672SS**PPolyproline II helixtrans-55.2118.5-179.100000110.9F475 S479F475-A477 PolarHBondContact O-N 2.88Å; A477-S479 PolarHBondContact O-N 2.87Å
478V66.9Low59.4Low83 Ų83124.3 Ų124.350%0.50366%0.656SS.*PPolyproline II helixtrans-63.1135.3-178.5177.50000109.2P476 I482 E483P476-V478 PolarHBondContact O-N 3.26Å; P476-V478 VanDerWaalsContact O-N 3.11Å; V478-I482 HydrophobicContact CG1-CB 3.71Å; V478-I482 HydrophobicContact CG1-CG2 3.75Å; V478-E483 HydrophobicContact CG1-CB 4.36Å
479S78.2Confident61.6Low62 Ų62116.6 Ų116.643%0.43463%0.632SS.*PPolyproline II helixtrans-61.8134.8176.8177.80000110A477 L481 I482 E483A477-S479 PolarHBondContact O-N 2.87Å; S479-L481 PolarHBondContact O-N 3.36Å; S479-I482 WeakPolarHBondContact O-CA 3.39Å; S479-I482 WeakPolarHBondContact O-CB 3.22Å; S479-I482 PolarHBondContact O-N 2.86Å; S479-E483 PolarHBondContact O-N 3.33Å; S479-E483 VanDerWaalsContact O-N 3.13Å
480P77.3Confident63.3Low96 Ų96113.4 Ų113.462%0.62362%0.615SS**Hα-helixtrans-54.9-22.5-179-29.736000114.9A484P480-A484 WeakPolarHBondContact O-CB 3.3Å; P480-A484 PolarHBondContact O-N 3.13Å
481L72.1Confident65.5Low125 Ų125107 Ų10765%0.65460%0.601SS**Hα-helixtrans-71.1-34.7174-176.761.1000113S479 E485S479-L481 PolarHBondContact O-N 3.36Å; L481-E485 PolarHBondContact O-N 3.43Å
482I79.4Confident67.2Low92 Ų92105 Ų10547%0.47259%0.588SS.*Hα-helixtrans-78.4-40.9178.2-58.6172.1000109.7V478 S479 E485 M486V478-I482 HydrophobicContact CG1-CB 3.71Å; V478-I482 HydrophobicContact CG1-CG2 3.75Å; S479-I482 WeakPolarHBondContact O-CA 3.39Å; S479-I482 WeakPolarHBondContact O-CB 3.22Å; S479-I482 PolarHBondContact O-N 2.86Å; I482-E485 CarbonylContact O-C 3.59Å; I482-E485 WeakPolarHBondContact O-CA 3.47Å; I482-E485 WeakPolarHBondContact O-CB 3.42Å; I482-E485 PolarHBondContact O-N 2.89Å; I482-M486 PolarHBondContact O-N 3.19Å
483E74.9Confident68.7Low116 Ų116102.6 Ų102.654%0.54258%0.579SS.*Hα-helixtrans-58.9-47.4172.3-175.3176.1-145.700111V478 S479 E485 M486 M487V478-E483 HydrophobicContact CG1-CB 4.36Å; S479-E483 PolarHBondContact O-N 3.33Å; S479-E483 VanDerWaalsContact O-N 3.13Å; E483-E485 PolarHBondContact O-N 3.11Å; E483-M486 PolarHBondContact O-N 3.01Å; E483-M487 WeakPolarHBondContact O-CG 3.36Å; E483-M487 PolarHBondContact O-N 2.96Å; E483-M487 VanDerWaalsContact O-N 3.08Å
484A77.6Confident69.9Low47 Ų4799 Ų9939%0.38857%0.567SS.*Hα-helixtrans-64.2-17.1172.400000113.9P480 R488P480-A484 WeakPolarHBondContact O-CB 3.3Å; P480-A484 PolarHBondContact O-N 3.13Å; A484-R488 VanDerWaalsContact C-NH1 3.3Å; A484-R488 WeakPolarHBondContact O-CG 3.39Å; A484-R488 PolarHBondContact O-NH1 3.43Å
485E77.9Confident70.9Confident95 Ų95101.7 Ų101.744%0.44457%0.565SS.*Hα-helixtrans-85.7-44.5174.2-175.5131.4-115.300112L481 I482 E483 M487 R488 I489L481-E485 PolarHBondContact O-N 3.43Å; I482-E485 CarbonylContact O-C 3.59Å; I482-E485 WeakPolarHBondContact O-CA 3.47Å; I482-E485 WeakPolarHBondContact O-CB 3.42Å; I482-E485 PolarHBondContact O-N 2.89Å; E483-E485 PolarHBondContact O-N 3.11Å; E485-M487 VanDerWaalsContact C-N 3.32Å; E485-M487 PolarHBondContact O-N 3.43Å; E485-R488 WeakPolarHBondContact O-CB 3.39Å; E485-R488 PolarHBondContact O-N 3.48Å; E485-R488 VanDerWaalsContact O-N 3.13Å; E485-R488 IonicContact OE1-CZ 3.75Å; E485-R488 IonicContact OE1-NH2 2.68Å; E485-R488 PolarHBondContact OE1-NH2 2.92Å; E485-R488 IonicContact OE2-NH2 3.78Å; E485-I489 HydrophobicContact CG-CD1 4.25Å; E485-I489 WeakPolarHBondContact O-CG1 3.31Å; E485-I489 PolarHBondContact O-N 2.95Å; E485-I489 VanDerWaalsContact O-N 3.13Å
486M77.6Confident71.5Confident105 Ų105101.2 Ų101.252%0.51756%0.562SS.*Hα-helixtrans-53.7-49.5171-73.3169.851.800111.2I482 E483 R488 I489 D490I482-M486 PolarHBondContact O-N 3.19Å; E483-M486 PolarHBondContact O-N 3.01Å; M486-R488 VanDerWaalsContact C-N 3.27Å; M486-R488 PolarHBondContact O-N 3.04Å; M486-I489 WeakPolarHBondContact O-CA 3.44Å; M486-I489 WeakPolarHBondContact O-CB 3.47Å; M486-I489 PolarHBondContact O-N 3.14Å; M486-D490 PolarHBondContact O-N 3.45Å
487M79.3Confident71.4Confident123 Ų12398.5 Ų98.561%0.60656%0.556SS**Hα-helixtrans-59.8-32.7178.8-67-62.8-69.400113.4E483 E485 T491E483-M487 WeakPolarHBondContact O-CG 3.36Å; E483-M487 PolarHBondContact O-N 2.96Å; E483-M487 VanDerWaalsContact O-N 3.08Å; E485-M487 VanDerWaalsContact C-N 3.32Å; E485-M487 PolarHBondContact O-N 3.43Å; M487-T491 WeakPolarHBondContact O-CB 3.47Å; M487-T491 PolarHBondContact O-N 2.74Å; M487-T491 PolarHBondContact O-OG1 2.75Å
488R81.5Confident70.3Confident122 Ų122103.1 Ų103.146%0.4656%0.56SS.*Hα-helixtrans-67-42172.4-72.8-174.4-53.3-95.516.8111.5A484 E485 M486 V492A484-R488 VanDerWaalsContact C-NH1 3.3Å; A484-R488 WeakPolarHBondContact O-CG 3.39Å; A484-R488 PolarHBondContact O-NH1 3.43Å; E485-R488 WeakPolarHBondContact O-CB 3.39Å; E485-R488 PolarHBondContact O-N 3.48Å; E485-R488 VanDerWaalsContact O-N 3.13Å; E485-R488 IonicContact OE1-CZ 3.75Å; E485-R488 IonicContact OE1-NH2 2.68Å; E485-R488 PolarHBondContact OE1-NH2 2.92Å; E485-R488 IonicContact OE2-NH2 3.78Å; M486-R488 VanDerWaalsContact C-N 3.27Å; M486-R488 PolarHBondContact O-N 3.04Å; R488-V492 WeakPolarHBondContact O-CG2 3.39Å; R488-V492 PolarHBondContact O-N 3.16Å
489I72.9Confident69.4Low83 Ų83105.2 Ų105.243%0.42658%0.575SS.*Hα-helixtrans-67.3-46.4-178-63.3167.7000110.5E485 M486 T491 V492 L493E485-I489 HydrophobicContact CG-CD1 4.25Å; E485-I489 WeakPolarHBondContact O-CG1 3.31Å; E485-I489 PolarHBondContact O-N 2.95Å; E485-I489 VanDerWaalsContact O-N 3.13Å; M486-I489 WeakPolarHBondContact O-CA 3.44Å; M486-I489 WeakPolarHBondContact O-CB 3.47Å; M486-I489 PolarHBondContact O-N 3.14Å; I489-T491 VanDerWaalsContact C-N 3.32Å; I489-T491 PolarHBondContact O-N 2.9Å; I489-V492 PolarHBondContact O-N 3.42Å; I489-V492 VanDerWaalsContact O-N 3.08Å; I489-L493 HydrophobicContact CG2-CD1 4.02Å; I489-L493 HydrophobicContact CG2-CG 4.45Å; I489-L493 WeakPolarHBondContact O-CG 3.36Å; I489-L493 PolarHBondContact O-N 2.91Å
490D72.6Confident67.3Low81 Ų81107.3 Ų107.343%0.43359%0.589SS.*Hα-helixtrans-66-33.8179.5-66.2-33.3000112.6M486 V492 L493 S494M486-D490 PolarHBondContact O-N 3.45Å; D490-V492 VanDerWaalsContact C-N 3.34Å; D490-V492 PolarHBondContact O-N 3.34Å; D490-L493 PolarHBondContact O-N 2.84Å; D490-S494 PolarHBondContact O-N 2.92Å; D490-S494 PolarHBondContact O-OG 3.01Å
491T75.1Confident65.3Low84 Ų84108 Ų10852%0.51560%0.597SS.*Hα-helixtrans-62.9-39.4171.4-55.80000111.5M487 I489 N495M487-T491 WeakPolarHBondContact O-CB 3.47Å; M487-T491 PolarHBondContact O-N 2.74Å; M487-T491 PolarHBondContact O-OG1 2.75Å; I489-T491 VanDerWaalsContact C-N 3.32Å; I489-T491 PolarHBondContact O-N 2.9Å; T491-N495 PolarHBondContact O-ND2 3.42Å
492V74.6Confident63.6Low91 Ų91110.7 Ų110.755%0.55261%0.606SS**Hα-helixtrans-70.1-38.3176.2171.80000111.6R488 I489 D490 F496R488-V492 WeakPolarHBondContact O-CG2 3.39Å; R488-V492 PolarHBondContact O-N 3.16Å; I489-V492 PolarHBondContact O-N 3.42Å; I489-V492 VanDerWaalsContact O-N 3.08Å; D490-V492 VanDerWaalsContact C-N 3.34Å; D490-V492 PolarHBondContact O-N 3.34Å; V492-F496 WeakPolarHBondContact O-CD2 3.43Å
493L67.1Low61.4Low96 Ų96114 Ų11450%0.50363%0.625SS.*Hα-helixtrans-67.6-34.7179.7-69.4171.8000113.2I489 D490 N495I489-L493 HydrophobicContact CG2-CD1 4.02Å; I489-L493 HydrophobicContact CG2-CG 4.45Å; I489-L493 WeakPolarHBondContact O-CG 3.36Å; I489-L493 PolarHBondContact O-N 2.91Å; D490-L493 PolarHBondContact O-N 2.84Å; L493-N495 VanDerWaalsContact C-N 3.32Å; L493-N495 PolarHBondContact O-N 3.41Å
494S71.6Confident59.3Low90 Ų90113 Ų11363%0.62963%0.63SS**Hα-helixtrans-66.8-29.5-179-590000113.7D490 F496D490-S494 PolarHBondContact O-N 2.92Å; D490-S494 PolarHBondContact O-OG 3.01Å; S494-F496 PolarHBondContact O-N 3.32Å; S494-F496 VanDerWaalsContact O-N 3.15Å
495N58.6Low57Low129 Ų129116.1 Ų116.169%0.6965%0.649SS**THydrogen-bonded Turntrans-77.75.1-172-74-47000115.5T491 L493T491-N495 PolarHBondContact O-ND2 3.42Å; L493-N495 VanDerWaalsContact C-N 3.32Å; L493-N495 PolarHBondContact O-N 3.41Å
496F56.2Low54.6Low187 Ų187116.7 Ų116.782%0.8266%0.663SS**THydrogen-bonded Turntrans-106.217.4178.4-75.6-90.7000113.3V492 S494V492-F496 WeakPolarHBondContact O-CD2 3.43Å; S494-F496 PolarHBondContact O-N 3.32Å; S494-F496 VanDerWaalsContact O-N 3.15Å
497G49.8Very low52.3Low59 Ų59119.9 Ų119.961%0.60868%0.681SS**  trans-97.9-21-157.800000120
498E34.8Very low49.8Very low200 Ų200118.6 Ų118.694%0.93568%0.684SS**  trans-126.5129.2-165.2-68.7-167164.200115.8
499P48.3Very low47.2Very low126 Ų126116.9 Ų116.982%0.81869%0.691SS**  trans-122.1128.6166.636.4-23.3000113.9
500S33.3Very low45.2Very low106 Ų106121.9 Ų121.974%0.74171%0.712SS**  trans-157.1107.3166.9-1750000108
501S35.3Very low43.2Very low112 Ų112124 Ų12478%0.78373%0.728SS**  81.5132.778.889.70000113.3
502E37.3Very low41.5Very low180 Ų180125.9 Ų125.984%0.84174%0.742SS**  trans-107.7154.4-162.2-59.2179.5119.800113.2
503N32.5Very low39.5Very low163 Ų163131.9 Ų131.987%0.87276%0.755SS**  trans163.2159.9146.2-86.4-34.9000110.1
504S30.7Very low37.9Very low93 Ų93133.5 Ų133.565%0.6576%0.763SS**  cis-166.1166.1-40.766.40000108.3
505S31Very low36.3Very low113 Ų113137.2 Ų137.279%0.7977%0.768SS**  trans70.3159.8170.5900000117.1
506C26.9Very low35.2Very low108 Ų108136.9 Ų136.973%0.7377%0.771SS**  cis-169.1153.1-33.6-111.20000111.5
507L28.9Very low34.1Very low171 Ų171134.4 Ų134.490%0.89578%0.775SS**  trans65.9163163.6-55.6166.2000116.1
508S26.3Very low33.5Very low97 Ų97140 Ų14068%0.67879%0.786SS**  cis-149.7149.2-6.8-160.10000113.9
509S26.8Very low33.7Very low85 Ų85138.2 Ų138.259%0.59478%0.775SS**  trans42.5125.1141.2630000125.8
510Q32.8Very low33.1Very low189 Ų189143.3 Ų143.388%0.88378%0.777SS**  91.9160.1128.7-72.5178.143.700123.2
511T29.7Very low33Very low125 Ų125142 Ų14277%0.76778%0.78SS**  trans-137.6157.8-162.760.80000112.3
512P39.1Very low33Very low124 Ų124144.2 Ų144.281%0.80579%0.789SS**  -140.7159.7105.735.2-21.8000112.9
513R32.5Very low32.9Very low217 Ų217139 Ų13982%0.81978%0.784SS**  cis103.5142.917.4-155.3-176.6-164.5-141.13.2114.3
514L33.5Very low33Very low130 Ų130137.2 Ų137.268%0.68178%0.779SS**  trans84.3147.7173.1-51.6176.9000115.2
515K38.2Very low33.4Very low168 Ų168143.5 Ų143.573%0.7379%0.788SS**  cis-144.9131.80.3-98.9132.4178.9-179.90107.8
516T34.5Very low33.9Very low122 Ų122144 Ų14475%0.74879%0.792SS**  49.3120.986.165.70000118.4
517C33.5Very low34.4Very low135 Ų135144.1 Ų144.191%0.91280%0.8SS**  trans-178169.4131.3-102.90000113.5
518Q37Very low34.8Very low176 Ų176139.6 Ų139.682%0.82280%0.796SS**  trans-134.6169-178.3-72.3-168.3-7.700113.5
519K38.8Very low35.7Very low162 Ų162147.4 Ų147.470%0.70481%0.81SS**  trans106.4121.1147.7-73.5177.8175.6168.80119.7
520R35.6Very low36.3Very low233 Ų233147 Ų14788%0.87982%0.82SS**  trans48.2120.7137.2-57.3-163-68.5-157.33.7120.3
521G33Very low36.8Very low78 Ų78146.4 Ų146.480%0.80482%0.822SS**  trans-167147.3158.100000110.5
522V35Very low37.5Very low159 Ų159144.9 Ų144.996%0.96482%0.816SS**  trans-110.6132.2-179.5174.70000109.5
523G34.5Very low38Very low72 Ų72148 Ų14874%0.74283%0.825SS**  trans-158.984.2-171.500000115.7
524V35.6Very low38.5Very low125 Ų125141.4 Ų141.476%0.75881%0.811SS**  trans3.9114.9155-177.20000119.4
525R38.9Very low38.9Very low224 Ų224142.3 Ų142.385%0.84582%0.816SS**  trans48.4122.6143.6-55.1167.4107.8-112.36.5120.3
526S40.3Very low39.1Very low123 Ų123141 Ų14186%0.8682%0.822SS**  -163.3166112-88.50000113.8
527A37.1Very low39.6Very low111 Ų111140.9 Ų140.992%0.91782%0.821SS**  trans-61.2139.1-165.100000116.2
528G38.7Very low40.2Very low77 Ų77141.8 Ų141.879%0.79482%0.818SS**  trans-162.9135.2170.600000111.8
529R45.5Very low40.7Very low260 Ų260142.1 Ų142.198%0.98182%0.821SS**  trans-77.5136.8-179.2-57.8163.2-172.1-106.6-0.2109.9
530G38.6Very low40.8Very low77 Ų77138.9 Ų138.979%0.79482%0.819SS**  trans171.647.8176.200000115.7S532G530-S532 PolarHBondContact O-N 3.09Å
531L42.3Very low41.2Very low177 Ų177134 Ų13493%0.92782%0.817SS**  trans-72.2122.8168-71.7175.1000109.2
532S44.9Very low41.7Very low93 Ų93134.6 Ų134.665%0.6582%0.815SS**  trans-69.5150.4176.748.90000111.7G530 C534G530-S532 PolarHBondContact O-N 3.09Å; S532-C534 PolarHBondContact O-N 2.76Å
533L49.9Very low42Very low190 Ų190131.4 Ų131.4100%0.99581%0.805SS**  trans-74.689.5169.2-78.8165.4000109.6
534C42.9Very low42.3Very low77 Ų77138.4 Ų138.452%0.5281%0.811SS.*  trans-125.7129.9169.6-55.90000109.6S532S532-C534 PolarHBondContact O-N 2.76Å
535D42.5Very low42.5Very low149 Ų149143.5 Ų143.580%0.79782%0.817SS**  trans55.579.4148.2-43.7-33.6000118.3
536V42Very low42.4Very low140 Ų140139.6 Ų139.685%0.84881%0.812SS**  trans-12344.8160.6-159.80000111.4
537T44.2Very low42.1Very low120 Ų120143.1 Ų143.174%0.73681%0.813SS**  trans-117.681.2165.849.40000109.3
538N47.8Very low42.2Very low155 Ų155143.7 Ų143.783%0.82981%0.81SS**  trans168.584.7156.5-88.4-25.8000110.5
539M47.3Very low41.9Very low182 Ų182143.9 Ų143.990%0.89781%0.812SS**  trans-137.7124.3163.7-83.3-73.3100.600108.6
540S39.3Very low41.2Very low94 Ų94135.8 Ų135.866%0.65781%0.809SS**  trans-86.3155.6-167.665.90000113.4A542S540-A542 PolarHBondContact O-N 3.02Å
541P44.4Very low40.9Very low130 Ų130135.6 Ų135.684%0.84481%0.807SS**G310 helixtrans-70.95-171-2235.5000117.2A543P541-A543 VanDerWaalsContact C-N 3.25Å; P541-A543 PolarHBondContact O-N 2.96Å; P541-A543 VanDerWaalsContact O-N 3.13Å
542A43.1Very low41.3Very low91 Ų91132.8 Ų132.875%0.75280%0.799SS**G310 helixtrans-75.40.3-165.500000116.1S540 Y544S540-A542 PolarHBondContact O-N 3.02Å; A542-Y544 PolarHBondContact O-N 3.12Å
543A42.2Very low41Very low93 Ų93138.8 Ų138.877%0.76981%0.808SS**G310 helixtrans-85.29.8-165.400000116.6P541P541-A543 VanDerWaalsContact C-N 3.25Å; P541-A543 PolarHBondContact O-N 2.96Å; P541-A543 VanDerWaalsContact O-N 3.13Å
544Y40.6Very low40.3Very low219 Ų219140.1 Ų140.186%0.85980%0.8SS**  trans-109.499.9178.1-81.7-83.9000112.3A542A542-Y544 PolarHBondContact O-N 3.12Å
545R39.2Very low40.1Very low232 Ų232141 Ų14188%0.87581%0.807SS**  trans-119.9133.9169.3-137.6-177.8-160.5-1376.6110.3
546N37Very low39.8Very low141 Ų141141.5 Ų141.575%0.75481%0.809SS**  trans-85.3154.7-173.6-59.9-54.7000112.7
547F35.3Very low39.8Very low198 Ų198139.2 Ų139.287%0.86881%0.805SS**  trans-135.8151.9156.3-80.3-74000110.3
548S38Very low39.8Very low122 Ų122139.4 Ų139.485%0.85381%0.809SS**  trans-147.8143.5-174.2-60.30000111
549G32.8Very low39.4Very low82 Ų82138.4 Ų138.485%0.84581%0.808SS**  trans126.1149.416600000115.6
550G30.5Very low39.6Very low90 Ų90140.9 Ų140.993%0.92881%0.807SS**  trans104138161.500000117.8
551G31.7Very low39.8Very low72 Ų72145.2 Ų145.274%0.74282%0.815SS**  trans-172-173.5165.400000108.3
552P51.8Low40.3Very low118 Ų118150 Ų15077%0.76682%0.816SS**  cis-133.3170.3-5.141.5-26.1000115.2
553R39.2Very low40.9Very low220 Ų220156.9 Ų156.983%0.8382%0.822SS**  trans70.5158.8172.4-48.9-176.9172.9-163-2.6115
554R33.8Very low40.9Very low218 Ų218157.6 Ų157.682%0.82382%0.821SS**  cis-121.1-172.2-1.6-91.1-161.3179.6-102.26.7111.8
555S40.2Very low41.8Very low96 Ų96153.1 Ų153.167%0.67182%0.816SS**  trans-70.9156.8-179.257.80000112.8
556D35.4Very low42.3Very low159 Ų159149.5 Ų149.585%0.8581%0.811SS**  -146.9-164.765.5-73.3-24.6000114.4
557A41.3Very low43.6Very low92 Ų92147.6 Ų147.676%0.7680%0.804SS**  trans-112.2178.5-159.900000114.1
558P45.6Very low44.8Very low124 Ų124142.4 Ų142.481%0.80579%0.789SS**  cis-128.3123.6-38.528.1-9.9000112.4
559T38.7Very low45.7Very low134 Ų134142.9 Ų142.982%0.82278%0.782SS**  trans-91.7134.6178.648.20000114.6K561T559-K561 PolarHBondContact O-N 2.98Å
560R50.9Low47.2Very low233 Ų233148.1 Ų148.188%0.87978%0.778SS**  trans-69.781.3-166.7-171-174.6-169.6178.35.6114.4R562R560-R562 PolarHBondContact O-N 3.12Å; R560-R562 VanDerWaalsContact O-N 3.12Å
561K44.5Very low49.1Very low186 Ų186153.6 Ų153.681%0.80978%0.776SS**  trans-71.899.9178.5-74.3-172176.7-179.30114.1T559 R563T559-K561 PolarHBondContact O-N 2.98Å; K561-R563 PolarHBondContact O-N 2.98Å
562R53.7Low50.9Low230 Ų230158 Ų15887%0.86878%0.777SS**SBendtrans-73.571.3160.1-84-174.6164.2-178.4-4111.4R560R560-R562 PolarHBondContact O-N 3.12Å; R560-R562 VanDerWaalsContact O-N 3.12Å
563R56.3Low51.7Low235 Ų235157.6 Ų157.689%0.88777%0.774SS**  trans-170.181.8159.4-104.5175.1-159.5-162.55.8107.8K561K561-R563 PolarHBondContact O-N 2.98Å
564C43Very low53.3Low109 Ų109151 Ų15174%0.73676%0.762SS**  trans-103.386.5168.3-168.60000108.2M566C564-M566 VanDerWaalsContact C-N 3.32Å; C564-M566 PolarHBondContact O-N 3.45Å; C564-M566 VanDerWaalsContact O-N 3.12Å
565T59.6Low55.1Low125 Ų125148.5 Ų148.577%0.76776%0.764SS**  trans-6899155.145.30000106.1T567T565-T567 PolarHBondContact O-N 3.09Å
566M49.7Very low56.6Low156 Ų156151.4 Ų151.477%0.76877%0.772SS**  trans-61.4106.6170.4-74.5-17865.300107.6C564 V568C564-M566 VanDerWaalsContact C-N 3.32Å; C564-M566 PolarHBondContact O-N 3.45Å; C564-M566 VanDerWaalsContact O-N 3.12Å; M566-V568 PolarHBondContact O-N 3.19Å
567T63.5Low58.4Low100 Ų100147.1 Ų147.161%0.61376%0.759SS**  trans-65.6106166.750.30000106.3T565 D569T565-T567 PolarHBondContact O-N 3.09Å; T567-D569 VanDerWaalsContact CB-OD1 3.32Å; T567-D569 WeakPolarHBondContact CB-OD1 3.45Å; T567-D569 PolarHBondContact O-N 2.87Å; T567-D569 PolarHBondContact OG1-OD1 3.21Å
568V60.7Low60Low90 Ų90151.6 Ų151.655%0.54576%0.761SS.*  trans-77.482.1176.7-171.10000106.3M566 Y570M566-V568 PolarHBondContact O-N 3.19Å; V568-Y570 HydrophobicContact CB-CD2 4.28Å; V568-Y570 HydrophobicContact CB-CE2 3.86Å; V568-Y570 HydrophobicContact CG1-CD1 4.22Å; V568-Y570 HydrophobicContact CG1-CD2 3.91Å; V568-Y570 HydrophobicContact CG1-CE1 3.8Å; V568-Y570 HydrophobicContact CG1-CE2 3.47Å; V568-Y570 VanDerWaalsContact CG1-CE2 3.47Å; V568-Y570 HydrophobicContact CG1-CG 4.27Å; V568-Y570 VanDerWaalsContact CG1-CZ 3.41Å; V568-Y570 WeakPolarHBondContact O-CD2 3.42Å; V568-Y570 PolarHBondContact O-N 2.94Å
569D57.1Low61.5Low132 Ų132151.9 Ų151.971%0.70676%0.755SS**  trans-70.876.3-178.2-63.3-22.7000109.2T567 K571T567-D569 VanDerWaalsContact CB-OD1 3.32Å; T567-D569 WeakPolarHBondContact CB-OD1 3.45Å; T567-D569 PolarHBondContact O-N 2.87Å; T567-D569 PolarHBondContact OG1-OD1 3.21Å; D569-K571 VanDerWaalsContact C-N 3.31Å; D569-K571 PolarHBondContact O-N 3.39Å
570Y64.8Low63.3Low192 Ų192154.1 Ų154.175%0.75375%0.749SS**  trans-60.993173.7-69.1-74.6000108.9V568 E572V568-Y570 HydrophobicContact CB-CD2 4.28Å; V568-Y570 HydrophobicContact CB-CE2 3.86Å; V568-Y570 HydrophobicContact CG1-CD1 4.22Å; V568-Y570 HydrophobicContact CG1-CD2 3.91Å; V568-Y570 HydrophobicContact CG1-CE1 3.8Å; V568-Y570 HydrophobicContact CG1-CE2 3.47Å; V568-Y570 VanDerWaalsContact CG1-CE2 3.47Å; V568-Y570 HydrophobicContact CG1-CG 4.27Å; V568-Y570 VanDerWaalsContact CG1-CZ 3.41Å; V568-Y570 WeakPolarHBondContact O-CD2 3.42Å; V568-Y570 PolarHBondContact O-N 2.94Å; Y570-E572 PolarHBondContact O-N 3.09Å
571K70.2Confident64.4Low204 Ų204148.5 Ų148.589%0.88773%0.727SS**  trans-67.797.8174.5-172.8154-169.31590109.1D569D569-K571 VanDerWaalsContact C-N 3.31Å; D569-K571 PolarHBondContact O-N 3.39Å
572E69.5Low65.7Low166 Ų166142.4 Ų142.478%0.77672%0.718SS**PPolyproline II helixtrans-49.8135.8-175.5-64.4-173.4159.900111.6Y570 S574Y570-E572 PolarHBondContact O-N 3.09Å; E572-S574 PolarHBondContact O-N 3.34Å
573P68.1Low67Low108 Ų108134.6 Ų134.670%0.70169%0.693SS**PPolyproline II helixtrans-64.6127.7175.227.7-33.2000109.3L575P573-L575 PolarHBondContact O-N 2.92Å; P573-L575 VanDerWaalsContact O-N 3.14Å
574S73.3Confident67.9Low81 Ų81132.9 Ų132.957%0.56669%0.692SS**PPolyproline II helixtrans-51.9122.2-179.81780000111.1E572 N576 A577E572-S574 PolarHBondContact O-N 3.34Å; S574-N576 PolarHBondContact O-N 3.49Å; S574-A577 VanDerWaalsContact O-CB 3.27Å; S574-A577 WeakPolarHBondContact O-CB 3.43Å; S574-A577 PolarHBondContact O-N 2.89Å
575L72Confident69.1Low167 Ų167137.2 Ų137.287%0.87470%0.698SS**THydrogen-bonded Turntrans-56.9-17.8-176.3-60.5174.8000114.2P573P573-L575 PolarHBondContact O-N 2.92Å; P573-L575 VanDerWaalsContact O-N 3.14Å
576N71.8Confident69.6Low156 Ų156132.4 Ų132.483%0.83467%0.669SS**THydrogen-bonded Turntrans-92.7-2.8177-67.7-58000113.8S574S574-N576 PolarHBondContact O-N 3.49Å
577A71.9Confident70.4Confident69 Ų69129.1 Ų129.157%0.5766%0.655SS**SBendtrans-83123.2176.800000110.9S574 L579S574-A577 VanDerWaalsContact O-CB 3.27Å; S574-A577 WeakPolarHBondContact O-CB 3.43Å; S574-A577 PolarHBondContact O-N 2.89Å; A577-L579 PolarHBondContact O-N 2.88Å; A577-L579 VanDerWaalsContact O-N 3.16Å
578K75.6Confident70.7Confident186 Ų186129 Ų12981%0.80965%0.65SS**  trans-73.3108.6171.9-69.6-171.6177.7-174.20110R580K578-R580 WeakPolarHBondContact O-CG 3.09Å
579L76.6Confident70.9Confident131 Ų131130.1 Ų130.169%0.68665%0.649SS**  trans-52.8131.6171.8-162.666.4000111.3A577 D583 T586A577-L579 PolarHBondContact O-N 2.88Å; A577-L579 VanDerWaalsContact O-N 3.16Å; L579-D583 HydrophobicContact CD1-CB 4.42Å; L579-T586 HydrophobicContact CD1-CG2 3.4Å; L579-T586 HydrophobicContact CD2-CG2 3.87Å; L579-T586 HydrophobicContact CG-CG2 3.41Å; L579-T586 VanDerWaalsContact CG-CG2 3.41Å
580R76.3Confident71Confident181 Ų181132.3 Ų132.368%0.68365%0.652SS**  trans-121.9146.4-176.2-64.6171.1-178.1161.30.6110.8K578 G582 D583 T586K578-R580 WeakPolarHBondContact O-CG 3.09Å; R580-G582 PolarHBondContact O-N 3.4Å; R580-D583 PolarHBondContact N-OD2 2.82Å; R580-D583 PolarHBondContact O-N 2.88Å; R580-T586 WeakPolarHBondContact O-CG2 3.14Å; R580-T586 PolarHBondContact O-OG1 3.13Å
581R73.8Confident71Confident114 Ų114126.2 Ų126.243%0.4363%0.633SS.*THydrogen-bonded Turntrans-54.8114.9168.5-74.1-178.2-170.5-157.91.5109.1L588 L591 S593R581-L588 HydrophobicContact CB-CD2 4.47Å; R581-L591 HydrophobicContact CG-CB 4.41Å; R581-L591 HydrophobicContact CG-CD1 3.8Å; R581-L591 PolarHBondContact NH1-O 3.05Å; R581-L591 PolarHBondContact NH2-O 2.97Å; R581-L591 VanDerWaalsContact NH2-O 3.13Å; R581-S593 PolarHBondContact NH1-O 2.93Å; R581-S593 PolarHBondContact NH2-OG 2.91Å
582G72.4Confident70.3Confident59 Ų59125.6 Ų125.661%0.60863%0.625SS**THydrogen-bonded Turntrans101.72.2-178.200000115.3R580 T586R580-G582 PolarHBondContact O-N 3.4Å; G582-T586 PolarHBondContact N-OG1 2.82Å
583D80.1Confident69.8Low65 Ų65121.2 Ų121.235%0.34861%0.612SS.*  trans-65.7144.3162.7-70.5-26000109.3L579 R580 F585 T586L579-D583 HydrophobicContact CD1-CB 4.42Å; R580-D583 PolarHBondContact N-OD2 2.82Å; R580-D583 PolarHBondContact O-N 2.88Å; D583-F585 PolarHBondContact O-N 3.21Å; D583-T586 HydrophobicContact CB-CG2 3.92Å; D583-T586 PolarHBondContact N-OG1 3.16Å; D583-T586 PolarHBondContact O-N 2.99Å; D583-T586 PolarHBondContact O-OG1 2.76Å
584K75.4Confident69.5Low200 Ų200122 Ų12287%0.8762%0.617SS**THydrogen-bonded Turntrans-59.1-16.5-165.1-63.5-172.8178.1-173.80116.4
585F69.1Low68.8Low199 Ų199123.3 Ų123.387%0.87362%0.617SS**THydrogen-bonded Turntrans-120.423179.3-52.6-69000112D583D583-F585 PolarHBondContact O-N 3.21Å
586T70.9Confident68.1Low24 Ų24123.5 Ų123.515%0.14761%0.611CS.*  trans-94.7117.1172.652.20000111.4L579 R580 G582 D583 L588L579-T586 HydrophobicContact CD1-CG2 3.4Å; L579-T586 HydrophobicContact CD2-CG2 3.87Å; L579-T586 HydrophobicContact CG-CG2 3.41Å; L579-T586 VanDerWaalsContact CG-CG2 3.41Å; R580-T586 WeakPolarHBondContact O-CG2 3.14Å; R580-T586 PolarHBondContact O-OG1 3.13Å; G582-T586 PolarHBondContact N-OG1 2.82Å; D583-T586 HydrophobicContact CB-CG2 3.92Å; D583-T586 PolarHBondContact N-OG1 3.16Å; D583-T586 PolarHBondContact O-N 2.99Å; D583-T586 PolarHBondContact O-OG1 2.76Å; T586-L588 PolarHBondContact O-N 3.49Å
587D66.5Low67.5Low87 Ų87124.4 Ų124.447%0.46561%0.608SS.*  trans-69.1130.5165.4-171.56.8000110Q589 F590D587-Q589 WeakPolarHBondContact OD1-CB 3.32Å; D587-Q589 WeakPolarHBondContact OD1-CG 3.37Å; D587-Q589 PolarHBondContact OD1-N 3.27Å; D587-Q589 WeakPolarHBondContact OD2-CB 3.45Å; D587-Q589 WeakPolarHBondContact OD2-CG 3.45Å; D587-F590 WeakPolarHBondContact OD2-CE2 3.47Å
588L69.1Low66.8Low98 Ų98128.4 Ų128.451%0.51362%0.615SS.*SBendtrans-92.5-11.9179-59.4178.5000112.4R581 T586 F590 L591R581-L588 HydrophobicContact CB-CD2 4.47Å; T586-L588 PolarHBondContact O-N 3.49Å; L588-F590 VanDerWaalsContact C-N 3.32Å; L588-F590 PolarHBondContact O-N 3.42Å; L588-L591 PolarHBondContact O-N 2.72Å; L588-L591 VanDerWaalsContact O-N 3.09Å
589Q63.8Low65.7Low113 Ų113129.1 Ų129.153%0.52862%0.618SS.*G310 helixtrans-53.3-47.8179.1-63.8-81.322.300111.6D587 L591 R592D587-Q589 WeakPolarHBondContact OD1-CB 3.32Å; D587-Q589 WeakPolarHBondContact OD1-CG 3.37Å; D587-Q589 PolarHBondContact OD1-N 3.27Å; D587-Q589 WeakPolarHBondContact OD2-CB 3.45Å; D587-Q589 WeakPolarHBondContact OD2-CG 3.45Å; Q589-L591 VanDerWaalsContact C-N 3.29Å; Q589-L591 PolarHBondContact O-N 3.3Å; Q589-R592 WeakPolarHBondContact O-CG 3.27Å; Q589-R592 VanDerWaalsContact OE1-NH2 3.15Å
590F60.7Low64.5Low178 Ų178128.4 Ų128.478%0.78162%0.623SS**G310 helixtrans-80.6-3.5-178-59.1-80000114.4D587 L588D587-F590 WeakPolarHBondContact OD2-CE2 3.47Å; L588-F590 VanDerWaalsContact C-N 3.32Å; L588-F590 PolarHBondContact O-N 3.42Å
591L64.1Low63Low64 Ų64122.9 Ų122.934%0.33562%0.623SS.*G310 helixtrans-106.327.5-173.4-65.5175.2000112.7R581 L588 Q589 S593R581-L591 HydrophobicContact CG-CB 4.41Å; R581-L591 HydrophobicContact CG-CD1 3.8Å; R581-L591 PolarHBondContact NH1-O 3.05Å; R581-L591 PolarHBondContact NH2-O 2.97Å; R581-L591 VanDerWaalsContact NH2-O 3.13Å; L588-L591 PolarHBondContact O-N 2.72Å; L588-L591 VanDerWaalsContact O-N 3.09Å; Q589-L591 VanDerWaalsContact C-N 3.29Å; Q589-L591 PolarHBondContact O-N 3.3Å; L591-S593 PolarHBondContact O-N 2.83Å
592R55Low62Low192 Ų192129.5 Ų129.573%0.72565%0.648SS**  trans-76.79.6-179.8-69.4-176.9-174.3-157.96.9116Q589 P594Q589-R592 WeakPolarHBondContact O-CG 3.27Å; Q589-R592 VanDerWaalsContact OE1-NH2 3.15Å; R592-P594 WeakPolarHBondContact O-CD 3.3Å
593S59.8Low60.5Low73 Ų73137.5 Ų137.551%0.5166%0.66SS.*  trans-61.5123.217240.10000111.4R581 L591 I595R581-S593 PolarHBondContact NH1-O 2.93Å; R581-S593 PolarHBondContact NH2-OG 2.91Å; L591-S593 PolarHBondContact O-N 2.83Å; S593-I595 PolarHBondContact O-N 3.31Å
594P62Low59.1Low125 Ų125139.8 Ų139.881%0.81268%0.681SS**  trans-63.3117.8-178.1-24.635000111.9R592 F596R592-P594 WeakPolarHBondContact O-CD 3.3Å; P594-F596 PolarHBondContact O-N 3.14Å
595I57.9Low57.5Low109 Ų109135.3 Ų135.356%0.55967%0.67SS**  trans-79.787.6177.4-56.5-177.2000108.7S593 K597S593-I595 PolarHBondContact O-N 3.31Å; I595-K597 HydrophobicContact CG2-CB 4.29Å; I595-K597 HydrophobicContact CG2-CG 3.41Å; I595-K597 VanDerWaalsContact CG2-CG 3.41Å; I595-K597 PolarHBondContact O-N 2.79Å
596F56.6Low56.7Low170 Ų170134.8 Ų134.875%0.74667%0.67SS**  trans-72.267.4169.9-165.1-103000111P594 Q598P594-F596 PolarHBondContact O-N 3.14Å; F596-Q598 HydrophobicContact CD1-CB 4.03Å; F596-Q598 HydrophobicContact CE1-CB 3.69Å; F596-Q598 HydrophobicContact CE1-CG 3.76Å; F596-Q598 HydrophobicContact CZ-CB 4.44Å; F596-Q598 HydrophobicContact CZ-CG 4.25Å; F596-Q598 PolarHBondContact O-N 3.47Å
597K60.8Low55.3Low175 Ų175142.6 Ų142.676%0.76170%0.702SS**  trans-71.679.6164.8-77.4-93.9179.1-176.90107.8I595 K599I595-K597 HydrophobicContact CG2-CB 4.29Å; I595-K597 HydrophobicContact CG2-CG 3.41Å; I595-K597 VanDerWaalsContact CG2-CG 3.41Å; I595-K597 PolarHBondContact O-N 2.79Å; K597-K599 PolarHBondContact O-N 2.89Å
598Q57.2Low53.8Low154 Ų154143.2 Ų143.272%0.7271%0.713SS**  trans-50.1104.5171.3-161.717840.600108.2F596 S600F596-Q598 HydrophobicContact CD1-CB 4.03Å; F596-Q598 HydrophobicContact CE1-CB 3.69Å; F596-Q598 HydrophobicContact CE1-CG 3.76Å; F596-Q598 HydrophobicContact CZ-CB 4.44Å; F596-Q598 HydrophobicContact CZ-CG 4.25Å; F596-Q598 PolarHBondContact O-N 3.47Å; Q598-S600 PolarHBondContact O-N 2.88Å
599K51.8Low52.5Low200 Ų200150.8 Ų150.887%0.8774%0.735SS**  trans-67.2108.5-178.3-73.1175.9-179.8170.50107.1K597 G601K597-K599 PolarHBondContact O-N 2.89Å; K599-G601 PolarHBondContact O-N 3.03Å
600S51.8Low51.2Low116 Ų116154.4 Ų154.481%0.81175%0.749SS**  trans-71.864.6174.347.50000111Q598 R602Q598-S600 PolarHBondContact O-N 2.88Å; S600-R602 PolarHBondContact O-N 3.06Å
601G43.3Very low50.5Low65 Ų65151.9 Ų151.967%0.6775%0.754SS**  trans-58.3122.3170.200000109K599 R603K599-G601 PolarHBondContact O-N 3.03Å; G601-R603 PolarHBondContact O-N 2.75Å
602R52.6Low49Very low253 Ų253154.8 Ų154.896%0.95578%0.778SS**  trans-66.994.3177.4-70.6-175.1176.9-146.9-0.2110S600S600-R602 PolarHBondContact O-N 3.06Å
603R42.3Very low48.2Very low228 Ų228150.2 Ų150.286%0.8678%0.776SS**  trans-114.5108.2151.3-71.6-168.4177.7-172.20.1107.7G601 V605G601-R603 PolarHBondContact O-N 2.75Å; R603-V605 PolarHBondContact O-N 3.02Å
604S50.7Low47.4Very low112 Ų112156 Ų15678%0.78379%0.794SS**  trans-64.5117.8165.3-176.60000107.3
605V41.7Very low46.4Very low106 Ų106157.4 Ų157.464%0.64279%0.79SS**  trans-130.8103.8164.4-174.60000105.9R603 K607R603-V605 PolarHBondContact O-N 3.02Å; V605-K607 HydrophobicContact CG1-CG 4.23Å; V605-K607 PolarHBondContact O-N 3.38Å; V605-K607 VanDerWaalsContact O-N 3.14Å
606Q51.7Low45.8Very low188 Ų188157.3 Ų157.388%0.87980%0.797SS**  trans-62.8113.9166.8-70.8163.6-79.300107.5
607K41Very low45.1Very low188 Ų188159.2 Ų159.282%0.81781%0.805SS**  trans-115130.5158.4-78.3-170.6172.2-173.90108.2V605V605-K607 HydrophobicContact CG1-CG 4.23Å; V605-K607 PolarHBondContact O-N 3.38Å; V605-K607 VanDerWaalsContact O-N 3.14Å
608S36.8Very low44.4Very low101 Ų101159.4 Ų159.471%0.70681%0.809SS**  trans-68.1143.6-169.842.60000111.4K610S608-K610 PolarHBondContact O-N 3.14Å
609R40.2Very low43.8Very low256 Ų256160.7 Ų160.797%0.96681%0.812SS**  trans-70.599.1164.3-70177.7177.2165.8-2.6108
610K37.6Very low43.4Very low189 Ų189161.9 Ų161.982%0.82281%0.813SS**  trans-98.9129.3153.9-72.4-167.4174.3-172.90107.8S608S608-K610 PolarHBondContact O-N 3.14Å
611S44.6Very low43.1Very low126 Ų126163.2 Ų163.288%0.88181%0.811SS**  trans-68.9132.7176.745.10000110.4
612C32.7Very low43.9Very low124 Ų124169.1 Ų169.184%0.83882%0.821SS**  trans-114140.2157.8-160.10000107.9
613S38.4Very low43.9Very low97 Ų97161.9 Ų161.968%0.67881%0.809SS**  trans-69.5159.3-179.738.10000111.7Q615S613-Q615 PolarHBondContact O-N 3.27Å
614Q43.6Very low43.9Very low193 Ų193160.7 Ų160.790%0.90281%0.81SS**  trans-66.2131.6166.8-65.3-178.5-2.500109
615Q41.1Very low43.7Very low155 Ų155162 Ų16272%0.72481%0.813SS**  trans-104.9141.2155.8-70.7-68.35.900107.7S613S613-Q615 PolarHBondContact O-N 3.27Å
616P44.6Very low43.8Very low108 Ų108158.9 Ų158.970%0.70180%0.803SS**PPolyproline II helixtrans-68.2141.8173.430.2-33.2000109.7E618P616-E618 PolarHBondContact O-N 2.88Å
617F42.8Very low43.2Very low209 Ų209156.1 Ų156.192%0.91780%0.803SS**PPolyproline II helixtrans-68.4130.3171.3-81.3-89.7000109.8
618E45.3Very low43.1Very low179 Ų179159.4 Ų159.484%0.83682%0.82SS**PPolyproline II helixtrans-66.2146.4177.3-67.3-176.8133.300111.4P616 Y620P616-E618 PolarHBondContact O-N 2.88Å; E618-Y620 PolarHBondContact O-N 3.4Å
619K44.8Very low43.4Very low182 Ų182162.4 Ų162.479%0.79183%0.826SS**  trans-81.7107.9-174.8-170.7-173.9-176.5-167.80108.3N621K619-N621 PolarHBondContact O-N 3.26Å; K619-N621 VanDerWaalsContact O-N 3.11Å
620Y44.8Very low43.6Very low225 Ų225157.4 Ų157.488%0.88282%0.819SS**  trans-57.7118.1173-83.9-87.1000109.7E618 E622E618-Y620 PolarHBondContact O-N 3.4Å; Y620-E622 PolarHBondContact O-N 3.29Å
621N45.4Very low43.9Very low144 Ų144155.7 Ų155.777%0.7782%0.819SS**  trans-85.3106.4172.2-66.4-43.4000107.7K619 S623K619-N621 PolarHBondContact O-N 3.26Å; K619-N621 VanDerWaalsContact O-N 3.11Å; N621-S623 PolarHBondContact O-N 3.05Å; N621-S623 VanDerWaalsContact O-N 3.09Å
622E59.3Low43.9Very low189 Ų189157.4 Ų157.488%0.88382%0.815SS**  trans-69.7103.5169.8-69177-17300108.5Y620 F624Y620-E622 PolarHBondContact O-N 3.29Å; E622-F624 PolarHBondContact O-N 3.47Å
623S52.9Low44.6Very low101 Ų101159.5 Ų159.571%0.70681%0.814SS**  trans-66.9114177.655.20000110.1N621 V625N621-S623 PolarHBondContact O-N 3.05Å; N621-S623 VanDerWaalsContact O-N 3.09Å; S623-V625 PolarHBondContact O-N 2.82Å
624F42.6Very low45Very low202 Ų202163.7 Ų163.789%0.88682%0.823SS**  trans-67.894.7-179.7-166-88.9000110.7E622 G626E622-F624 PolarHBondContact O-N 3.47Å; F624-G626 VanDerWaalsContact C-N 3.32Å; F624-G626 PolarHBondContact O-N 2.66Å
625V45.6Very low45.1Very low140 Ų140161.6 Ų161.685%0.84882%0.817SS**  trans-8182.1174.8-173.20000109.1S623S623-V625 PolarHBondContact O-N 2.82Å
626G44.3Very low45.4Very low41 Ų41162.1 Ų162.142%0.42382%0.824SS.*  trans-99128.2169.800000111F624F624-G626 VanDerWaalsContact C-N 3.32Å; F624-G626 PolarHBondContact O-N 2.66Å
627C38.9Very low45.4Very low130 Ų130166.6 Ų166.688%0.87883%0.834SS**  trans60.1122.2163.6-56.20000118.1
628H38.5Very low45.7Very low257 Ų257162.7 Ų162.7100%1.1983%0.827SS**  -140.70107.2-143.3-49.4000111

Retrieved 628 of 628 residues in 181.6 ms (Link to these results)