A0A096MQ63_PAPAN Loading...

Neuronal tyrosine-phosphorylated phosphoinositide-3-kinase adaptor 2

AlphaFold DB , UniProt , Accession A0A096MQ63, Species PAPAN (Papio anubis, Olive baboon), Gene NYAP2, Length 719 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.3Very low49.9Very low248 Ų248150.7 Ų150.7100%1.22284%0.839SS**  0141.30-65.4169.5-174.900107.6
2I52.1Low50.9Low159 Ų159153.9 Ų153.982%0.81584%0.843SS**  trans-91.1139.6-176.7-59164.8000108.9
3S46.5Very low52.3Low118 Ų118154.1 Ų154.183%0.82583%0.834SS**  trans-148.176.9163.8-163.90000109.9K5S3-K5 PolarHBondContact O-N 3.36Å
4S49.7Very low54.4Low107 Ų107148.5 Ų148.575%0.74880%0.804SS**  trans-69.992.4172.9-56.10000108.9M6S4-M6 PolarHBondContact O-N 3Å
5K58.5Low56.7Low203 Ų203145.4 Ų145.488%0.88379%0.794SS**PPolyproline II helixtrans-68.7125.8178-162.8167.3-175.9177.10109.1S3S3-K5 PolarHBondContact O-N 3.36Å
6M50.8Low58.9Low176 Ų176143.5 Ų143.587%0.86778%0.782SS**PPolyproline II helixtrans-62148.3-165.5-54.5-171-54.200112.9S4S4-M6 PolarHBondContact O-N 3Å
7M47.9Very low60.9Low182 Ų182141.4 Ų141.490%0.89777%0.77SS**PPolyproline II helixtrans-62.2134.5168.4-63.2171.568.700109.7S9M7-S9 PolarHBondContact O-N 3.21Å
8S46.3Very low62.8Low106 Ų106137.7 Ų137.774%0.74175%0.753SS**  trans-75.3102.6168.951.70000109.3N10S8-N10 PolarHBondContact O-N 3.49Å; S8-N10 VanDerWaalsContact O-N 3.07Å
9S49.4Very low64.5Low112 Ų112136.9 Ų136.978%0.78374%0.741SS**  trans-68.999.1166.854.20000109.2M7M7-S9 PolarHBondContact O-N 3.21Å
10N46.9Very low66.1Low134 Ų134135.4 Ų135.472%0.71773%0.732SS**  trans-62.2132.4158.6-69.2-19.4000107.4S8 E12S8-N10 PolarHBondContact O-N 3.49Å; S8-N10 VanDerWaalsContact O-N 3.07Å; N10-E12 PolarHBondContact O-N 3.08Å; N10-E12 VanDerWaalsContact O-N 3.16Å
11P56.9Low67.6Low113 Ų113133.7 Ų133.773%0.73472%0.72SS**  trans-69.7106.4160.329.6-29.5000107.1E13P11-E13 PolarHBondContact O-N 3.16Å; P11-E13 VanDerWaalsContact O-N 3.16Å
12E62.8Low70.1Confident189 Ų189128.3 Ų128.388%0.88369%0.687SS**  trans-70.4101.9156.7-66.5-171.1137.600105.9N10 D14N10-E12 PolarHBondContact O-N 3.08Å; N10-E12 VanDerWaalsContact O-N 3.16Å; E12-D14 PolarHBondContact O-N 3.07Å
13E68.9Low72.3Confident156 Ų156124.9 Ų124.973%0.72967%0.669SS**  trans-60.7127.1170.3-64.7-174.9154.500107.7P11 P15P11-E13 PolarHBondContact O-N 3.16Å; P11-E13 VanDerWaalsContact O-N 3.16Å; E13-P15 WeakPolarHBondContact O-CD 3.37Å
14D82.1Confident74.8Confident76 Ų76124.9 Ų124.941%0.40666%0.656SS.*  trans-61.7124.1-175.4-168.9-39.6000108.7E12 L16 D17 T18E12-D14 PolarHBondContact O-N 3.07Å; D14-L16 PolarHBondContact O-N 2.68Å; D14-L16 VanDerWaalsContact OD1-CB 3.24Å; D14-L16 WeakPolarHBondContact OD1-CB 3.24Å; D14-L16 WeakPolarHBondContact OD1-CG 3.28Å; D14-L16 PolarHBondContact OD1-N 3.18Å; D14-D17 HydrophobicContact CB-CB 4.36Å; D14-D17 PolarHBondContact O-N 2.88Å; D14-T18 PolarHBondContact O-N 2.93Å; D14-T18 PolarHBondContact O-OG1 3.07Å
15P88.3Confident77.1Confident102 Ų102123 Ų12366%0.66264%0.638SS**Hα-helixtrans-58.8-20.1179.323.7-34.4000112.9E13 F19E13-P15 WeakPolarHBondContact O-CD 3.37Å; P15-F19 VanDerWaalsContact O-CB 3.26Å; P15-F19 WeakPolarHBondContact O-CB 3.35Å; P15-F19 PolarHBondContact O-N 3.42Å
16L92.4Very high79Confident115 Ų115117.2 Ų117.260%0.60262%0.615SS**Hα-helixtrans-69.6-45.1170.1-61.7173.9000112.1D14 F19 L20D14-L16 PolarHBondContact O-N 2.68Å; D14-L16 VanDerWaalsContact OD1-CB 3.24Å; D14-L16 WeakPolarHBondContact OD1-CB 3.24Å; D14-L16 WeakPolarHBondContact OD1-CG 3.28Å; D14-L16 PolarHBondContact OD1-N 3.18Å; L16-F19 PolarHBondContact O-N 2.87Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.26Å; L16-L20 PolarHBondContact O-N 3.21Å
17D92.8Very high81.2Confident108 Ų108110.9 Ų110.958%0.57860%0.595SS**Hα-helixtrans-66.3-41.9177.4-78.5-16.4000110.8D14 F19 L20 Q21D14-D17 HydrophobicContact CB-CB 4.36Å; D14-D17 PolarHBondContact O-N 2.88Å; D17-F19 VanDerWaalsContact C-N 3.3Å; D17-F19 PolarHBondContact O-N 3.44Å; D17-L20 PolarHBondContact O-N 2.84Å; D17-Q21 WeakPolarHBondContact O-CB 3.48Å; D17-Q21 PolarHBondContact O-N 3.16Å
18T94Very high83.7Confident75 Ų75106.9 Ų106.946%0.4658%0.575SS.*Hα-helixtrans-59.4-40.8172.8-51.40000111.8D14 Y22D14-T18 PolarHBondContact O-N 2.93Å; D14-T18 PolarHBondContact O-OG1 3.07Å; T18-Y22 WeakPolarHBondContact O-CB 3.49Å; T18-Y22 PolarHBondContact O-N 3.4Å
19F95.8Very high86.1Confident122 Ų122107.2 Ų107.254%0.53556%0.563SS.*Hα-helixtrans-67.9-43.7176.3175.5-101.8000112.3P15 L16 D17 Y22 I23P15-F19 VanDerWaalsContact O-CB 3.26Å; P15-F19 WeakPolarHBondContact O-CB 3.35Å; P15-F19 PolarHBondContact O-N 3.42Å; L16-F19 PolarHBondContact O-N 2.87Å; D17-F19 VanDerWaalsContact C-N 3.3Å; D17-F19 PolarHBondContact O-N 3.44Å; F19-Y22 WeakPolarHBondContact O-CB 3.48Å; F19-Y22 PolarHBondContact O-N 3.2Å; F19-I23 HydrophobicContact CD1-CG1 4.41Å; F19-I23 HydrophobicContact CE1-CG1 3.97Å; F19-I23 HydrophobicContact CE2-CD1 4.13Å; F19-I23 HydrophobicContact CE2-CG1 4.08Å; F19-I23 HydrophobicContact CZ-CD1 3.96Å; F19-I23 HydrophobicContact CZ-CG1 3.78Å; F19-I23 WeakPolarHBondContact O-CG1 3.21Å; F19-I23 PolarHBondContact O-N 3.22Å
20L96.8Very high88.5Confident107 Ų107105.1 Ų105.156%0.5655%0.552SS**Hα-helixtrans-62.8-44.3177.3-72171.2000111.5L16 D17 Y22 I23 E24L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.26Å; L16-L20 PolarHBondContact O-N 3.21Å; D17-L20 PolarHBondContact O-N 2.84Å; L20-Y22 VanDerWaalsContact C-N 3.33Å; L20-Y22 PolarHBondContact O-N 3.46Å; L20-I23 PolarHBondContact O-N 2.86Å; L20-E24 PolarHBondContact O-N 3.37Å
21Q96.6Very high90.9Very high100 Ų100105.6 Ų105.647%0.46755%0.545SS..Hα-helixtrans-61.7-41.1174.9-170.863.47800111.5D17 I23 E24 D25D17-Q21 WeakPolarHBondContact O-CB 3.48Å; D17-Q21 PolarHBondContact O-N 3.16Å; Q21-I23 VanDerWaalsContact C-N 3.34Å; Q21-I23 PolarHBondContact O-N 3Å; Q21-E24 PolarHBondContact NE2-OE2 2.85Å; Q21-E24 PolarHBondContact O-N 3.2Å; Q21-D25 VanDerWaalsContact O-CB 3.3Å; Q21-D25 WeakPolarHBondContact O-CB 3.4Å; Q21-D25 PolarHBondContact O-N 3.4Å
22Y97.4Very high92.9Very high135 Ų135104 Ų10453%0.52953%0.53SS..Hα-helixtrans-61.1-39.6175.1170.9-99.2000112.8T18 F19 L20 M26T18-Y22 WeakPolarHBondContact O-CB 3.49Å; T18-Y22 PolarHBondContact O-N 3.4Å; F19-Y22 WeakPolarHBondContact O-CB 3.48Å; F19-Y22 PolarHBondContact O-N 3.2Å; L20-Y22 VanDerWaalsContact C-N 3.33Å; L20-Y22 PolarHBondContact O-N 3.46Å; Y22-M26 HydrophobicContact CD1-CG 4.45Å; Y22-M26 HydrophobicContact CD2-CG 4.3Å; Y22-M26 HydrophobicContact CE1-CG 4.02Å; Y22-M26 HydrophobicContact CE2-CG 3.85Å; Y22-M26 HydrophobicContact CE2-SD 4.15Å; Y22-M26 WeakPolarHBondContact O-CB 3.37Å; Y22-M26 WeakPolarHBondContact O-CG 3.49Å; Y22-M26 PolarHBondContact O-N 3.28Å
23I98.1Very high94.6Very high87 Ų8796.9 Ų96.945%0.44651%0.508SS..Hα-helixtrans-68.5-41.1176.3-66.6-64.9000111.4F19 L20 Q21 M26 G27F19-I23 HydrophobicContact CD1-CG1 4.41Å; F19-I23 HydrophobicContact CE1-CG1 3.97Å; F19-I23 HydrophobicContact CE2-CD1 4.13Å; F19-I23 HydrophobicContact CE2-CG1 4.08Å; F19-I23 HydrophobicContact CZ-CD1 3.96Å; F19-I23 HydrophobicContact CZ-CG1 3.78Å; F19-I23 WeakPolarHBondContact O-CG1 3.21Å; F19-I23 PolarHBondContact O-N 3.22Å; L20-I23 PolarHBondContact O-N 2.86Å; Q21-I23 VanDerWaalsContact C-N 3.34Å; Q21-I23 PolarHBondContact O-N 3Å; I23-M26 PolarHBondContact O-N 2.98Å; I23-G27 PolarHBondContact O-N 2.89Å
24E97.9Very high96Very high118 Ų11895.3 Ų95.355%0.55150%0.504SS*.Hα-helixtrans-61.9-47.5172.9-175.2177.6-146.900111.2L20 Q21 M26 G27 M28L20-E24 PolarHBondContact O-N 3.37Å; Q21-E24 PolarHBondContact NE2-OE2 2.85Å; Q21-E24 PolarHBondContact O-N 3.2Å; E24-M26 VanDerWaalsContact C-N 3.28Å; E24-M26 PolarHBondContact O-N 3.45Å; E24-G27 PolarHBondContact O-N 2.96Å; E24-G27 VanDerWaalsContact O-N 3.13Å; E24-M28 WeakPolarHBondContact O-CG 3.3Å; E24-M28 PolarHBondContact O-N 3.3Å
25D98.2Very high96.8Very high67 Ų6794.9 Ų94.936%0.35850%0.504SS..Hα-helixtrans-55.7-41.3175.7-109.154.2000112.3Q21 K29Q21-D25 VanDerWaalsContact O-CB 3.3Å; Q21-D25 WeakPolarHBondContact O-CB 3.4Å; Q21-D25 PolarHBondContact O-N 3.4Å; D25-K29 WeakPolarHBondContact O-CB 3.42Å; D25-K29 VanDerWaalsContact O-CD 3.23Å; D25-K29 WeakPolarHBondContact O-CD 3.42Å; D25-K29 WeakPolarHBondContact O-CG 3.49Å; D25-K29 PolarHBondContact O-N 3.06Å; D25-K29 IonicContact OD2-NZ 3.74Å; D25-K29 PolarHBondContact OD2-NZ 3.26Å
26M98.3Very high97.3Very high82 Ų8295.3 Ų95.340%0.40450%0.5SS..Hα-helixtrans-71.8-39.4177.5-73.9-93.355.800111.9Y22 I23 E24 K29 A30Y22-M26 HydrophobicContact CD1-CG 4.45Å; Y22-M26 HydrophobicContact CD2-CG 4.3Å; Y22-M26 HydrophobicContact CE1-CG 4.02Å; Y22-M26 HydrophobicContact CE2-CG 3.85Å; Y22-M26 HydrophobicContact CE2-SD 4.15Å; Y22-M26 WeakPolarHBondContact O-CB 3.37Å; Y22-M26 WeakPolarHBondContact O-CG 3.49Å; Y22-M26 PolarHBondContact O-N 3.28Å; I23-M26 PolarHBondContact O-N 2.98Å; E24-M26 VanDerWaalsContact C-N 3.28Å; E24-M26 PolarHBondContact O-N 3.45Å; M26-K29 HydrophobicContact CE-CB 4.34Å; M26-K29 HydrophobicContact CE-CD 4.21Å; M26-K29 PolarHBondContact O-N 2.91Å; M26-A30 WeakPolarHBondContact O-CB 3.48Å; M26-A30 PolarHBondContact O-N 3.03Å
27G98.5Very high97.6Very high43 Ų4394.5 Ų94.544%0.44349%0.492SS..Hα-helixtrans-60.9-46.2173.100000112.3I23 E24 A30 Y31I23-G27 PolarHBondContact O-N 2.89Å; E24-G27 PolarHBondContact O-N 2.96Å; E24-G27 VanDerWaalsContact O-N 3.13Å; G27-A30 PolarHBondContact O-N 3.29Å; G27-Y31 WeakPolarHBondContact O-CB 3.47Å; G27-Y31 PolarHBondContact O-N 3.05Å
28M98.5Very high97.9Very high97 Ų9793.7 Ų93.748%0.47849%0.488SS..Hα-helixtrans-63-45.5176-74.3-57.8-56.300112.1E24 A30 Y31 D32E24-M28 WeakPolarHBondContact O-CG 3.3Å; E24-M28 PolarHBondContact O-N 3.3Å; M28-A30 VanDerWaalsContact C-N 3.31Å; M28-A30 PolarHBondContact O-N 3.39Å; M28-Y31 PolarHBondContact O-N 3.38Å; M28-D32 WeakPolarHBondContact O-CB 3.4Å; M28-D32 PolarHBondContact O-N 3.13Å
29K98.4Very high98.1Very high113 Ų11392.9 Ų92.949%0.49149%0.489SS..Hα-helixtrans-62.1-37.3176.4-73160.4-166.2148.20112.5D25 M26 G33D25-K29 WeakPolarHBondContact O-CB 3.42Å; D25-K29 VanDerWaalsContact O-CD 3.23Å; D25-K29 WeakPolarHBondContact O-CD 3.42Å; D25-K29 WeakPolarHBondContact O-CG 3.49Å; D25-K29 PolarHBondContact O-N 3.06Å; D25-K29 IonicContact OD2-NZ 3.74Å; D25-K29 PolarHBondContact OD2-NZ 3.26Å; M26-K29 HydrophobicContact CE-CB 4.34Å; M26-K29 HydrophobicContact CE-CD 4.21Å; M26-K29 PolarHBondContact O-N 2.91Å; K29-G33 PolarHBondContact O-N 3.31Å
30A98.6Very high98.2Very high68 Ų6889.5 Ų89.556%0.56248%0.481SS*.Hα-helixtrans-69.2-41.1174.900000112.3M26 G27 M28 L34M26-A30 WeakPolarHBondContact O-CB 3.48Å; M26-A30 PolarHBondContact O-N 3.03Å; G27-A30 PolarHBondContact O-N 3.29Å; M28-A30 VanDerWaalsContact C-N 3.31Å; M28-A30 PolarHBondContact O-N 3.39Å; A30-L34 PolarHBondContact O-N 3.33Å
31Y98.5Very high98.3Very high144 Ų14487.1 Ų87.157%0.56547%0.468SS*.Hα-helixtrans-63.6-50.5175.5175.8-97.2000112G27 M28 G33 L34 V35G27-Y31 WeakPolarHBondContact O-CB 3.47Å; G27-Y31 PolarHBondContact O-N 3.05Å; M28-Y31 PolarHBondContact O-N 3.38Å; Y31-G33 VanDerWaalsContact C-N 3.3Å; Y31-G33 PolarHBondContact O-N 3.34Å; Y31-L34 WeakPolarHBondContact O-CB 3.38Å; Y31-L34 PolarHBondContact O-N 2.95Å; Y31-L34 VanDerWaalsContact O-N 3.09Å; Y31-V35 HydrophobicContact CD1-CG2 4.18Å; Y31-V35 HydrophobicContact CD2-CG2 4.5Å; Y31-V35 HydrophobicContact CE1-CG2 3.71Å; Y31-V35 HydrophobicContact CE2-CG2 4.07Å; Y31-V35 WeakPolarHBondContact O-CG2 3.4Å; Y31-V35 PolarHBondContact O-N 2.85Å
32D98.6Very high98.4Very high80 Ų8087.4 Ų87.443%0.42847%0.472SS..Hα-helixtrans-60.7-41178.1-75.7-15000111.3M28 L34 V35 I36M28-D32 WeakPolarHBondContact O-CB 3.4Å; M28-D32 PolarHBondContact O-N 3.13Å; D32-L34 VanDerWaalsContact C-N 3.34Å; D32-L34 PolarHBondContact O-N 2.91Å; D32-V35 PolarHBondContact O-N 3.45Å; D32-I36 WeakPolarHBondContact O-CB 3.35Å; D32-I36 WeakPolarHBondContact O-CD1 3.41Å; D32-I36 VanDerWaalsContact O-CG1 3.23Å; D32-I36 WeakPolarHBondContact O-CG1 3.28Å; D32-I36 PolarHBondContact O-N 3.04Å
33G98.5Very high98.4Very high40 Ų4083.4 Ų83.441%0.41247%0.467SS..Hα-helixtrans-57.2-44.7172.500000112.7K29 Y31 Q37K29-G33 PolarHBondContact O-N 3.31Å; Y31-G33 VanDerWaalsContact C-N 3.3Å; Y31-G33 PolarHBondContact O-N 3.34Å; G33-Q37 VanDerWaalsContact O-CB 3.3Å; G33-Q37 WeakPolarHBondContact O-CB 3.23Å; G33-Q37 PolarHBondContact O-N 2.84Å
34L98.6Very high98.4Very high122 Ų12286.2 Ų86.264%0.63947%0.472SS*.Hα-helixtrans-67.5-38.3177.1-176.461.1000112.6A30 Y31 D32 Q37 N38A30-L34 PolarHBondContact O-N 3.33Å; Y31-L34 WeakPolarHBondContact O-CB 3.38Å; Y31-L34 PolarHBondContact O-N 2.95Å; Y31-L34 VanDerWaalsContact O-N 3.09Å; D32-L34 VanDerWaalsContact C-N 3.34Å; D32-L34 PolarHBondContact O-N 2.91Å; L34-Q37 PolarHBondContact O-N 3.37Å; L34-N38 VanDerWaalsContact O-CB 3.28Å; L34-N38 WeakPolarHBondContact O-CB 3.23Å; L34-N38 PolarHBondContact O-N 2.99Å
35V98.6Very high98.4Very high67 Ų6784.5 Ų84.541%0.40646%0.464SS..Hα-helixtrans-65.8-45175.8171.20000111Y31 D32 N38 A39Y31-V35 HydrophobicContact CD1-CG2 4.18Å; Y31-V35 HydrophobicContact CD2-CG2 4.5Å; Y31-V35 HydrophobicContact CE1-CG2 3.71Å; Y31-V35 HydrophobicContact CE2-CG2 4.07Å; Y31-V35 WeakPolarHBondContact O-CG2 3.4Å; Y31-V35 PolarHBondContact O-N 2.85Å; D32-V35 PolarHBondContact O-N 3.45Å; V35-N38 PolarHBondContact O-N 2.94Å; V35-A39 WeakPolarHBondContact O-CB 3.18Å; V35-A39 PolarHBondContact O-N 3.26Å
36I98.4Very high98.4Very high112 Ų11285.5 Ų85.557%0.57447%0.469SS*.Hα-helixtrans-64-42.5176.8-68.7164.9000110.7D32 S40D32-I36 WeakPolarHBondContact O-CB 3.35Å; D32-I36 WeakPolarHBondContact O-CD1 3.41Å; D32-I36 VanDerWaalsContact O-CG1 3.23Å; D32-I36 WeakPolarHBondContact O-CG1 3.28Å; D32-I36 PolarHBondContact O-N 3.04Å; I36-S40 VanDerWaalsContact O-CB 3.31Å; I36-S40 WeakPolarHBondContact O-CB 3.4Å; I36-S40 PolarHBondContact O-N 2.86Å; I36-S40 PolarHBondContact O-OG 2.85Å
37Q98.5Very high98.4Very high97 Ų9785.2 Ų85.245%0.45347%0.47SS..Hα-helixtrans-61.7-49.1175.1-173.961.35100111G33 L34 A39 S40 D41G33-Q37 VanDerWaalsContact O-CB 3.3Å; G33-Q37 WeakPolarHBondContact O-CB 3.23Å; G33-Q37 PolarHBondContact O-N 2.84Å; L34-Q37 PolarHBondContact O-N 3.37Å; Q37-A39 PolarHBondContact O-N 3.08Å; Q37-S40 CarbonylContact O-C 3.51Å; Q37-S40 WeakPolarHBondContact O-CA 3.3Å; Q37-S40 WeakPolarHBondContact O-CB 3.48Å; Q37-S40 PolarHBondContact O-N 2.61Å; Q37-S40 VanDerWaalsContact O-N 3.1Å; Q37-D41 PolarHBondContact NE2-OD1 3.09Å; Q37-D41 PolarHBondContact O-N 2.9Å
38N98.4Very high98.4Very high91 Ų9188.7 Ų88.749%0.48747%0.469SS..Hα-helixtrans-61.3-43.6179.9-175.1-101.7000112.6L34 V35 S40 D41 I42L34-N38 VanDerWaalsContact O-CB 3.28Å; L34-N38 WeakPolarHBondContact O-CB 3.23Å; L34-N38 PolarHBondContact O-N 2.99Å; V35-N38 PolarHBondContact O-N 2.94Å; N38-S40 VanDerWaalsContact C-N 3.3Å; N38-S40 PolarHBondContact O-N 3.13Å; N38-D41 PolarHBondContact O-N 3.37Å; N38-I42 VanDerWaalsContact O-CG1 3.31Å; N38-I42 WeakPolarHBondContact O-CG1 3.33Å; N38-I42 PolarHBondContact O-N 3.39Å; N38-I42 WeakPolarHBondContact OD1-CD1 3.38Å
39A98.6Very high98.4Very high58 Ų5887.7 Ų87.748%0.47947%0.466SS..Hα-helixtrans-61.7-39.6174.100000111.9V35 Q37 A43V35-A39 WeakPolarHBondContact O-CB 3.18Å; V35-A39 PolarHBondContact O-N 3.26Å; Q37-A39 PolarHBondContact O-N 3.08Å; A39-A43 WeakPolarHBondContact O-CB 3.48Å; A39-A43 PolarHBondContact O-N 2.91Å
40S98.4Very high98.3Very high52 Ų5289.7 Ų89.736%0.36447%0.47SS..Hα-helixtrans-67.8-35.4176.1-58.50000112.4I36 Q37 N38 R44I36-S40 VanDerWaalsContact O-CB 3.31Å; I36-S40 WeakPolarHBondContact O-CB 3.4Å; I36-S40 PolarHBondContact O-N 2.86Å; I36-S40 PolarHBondContact O-OG 2.85Å; Q37-S40 CarbonylContact O-C 3.51Å; Q37-S40 WeakPolarHBondContact O-CA 3.3Å; Q37-S40 WeakPolarHBondContact O-CB 3.48Å; Q37-S40 PolarHBondContact O-N 2.61Å; Q37-S40 VanDerWaalsContact O-N 3.1Å; N38-S40 VanDerWaalsContact C-N 3.3Å; N38-S40 PolarHBondContact O-N 3.13Å; S40-R44 WeakPolarHBondContact O-CG 3.42Å; S40-R44 PolarHBondContact O-N 3.34Å; S40-R44 VanDerWaalsContact O-N 3.08Å; S40-R44 PolarHBondContact O-NH1 3.38Å
41D98.4Very high98.2Very high56 Ų5691.7 Ų91.730%0.29947%0.471SS..Hα-helixtrans-70-45.1177.3-65.7-19000111.3Q37 N38 A43 R44 E45Q37-D41 PolarHBondContact NE2-OD1 3.09Å; Q37-D41 PolarHBondContact O-N 2.9Å; N38-D41 PolarHBondContact O-N 3.37Å; D41-A43 VanDerWaalsContact C-N 3.28Å; D41-A43 PolarHBondContact O-N 3.38Å; D41-R44 PolarHBondContact O-N 2.97Å; D41-R44 IonicContact OD1-CZ 2.61Å; D41-R44 IonicContact OD1-NH1 2.71Å; D41-R44 PolarHBondContact OD1-NH1 3.45Å; D41-R44 IonicContact OD1-NH2 3.35Å; D41-R44 PolarHBondContact OD1-NH2 3.35Å; D41-E45 PolarHBondContact O-N 3.25Å
42I98.3Very high98.1Very high106 Ų10689.9 Ų89.954%0.54447%0.468SS..Hα-helixtrans-58.5-41173.4-69.4166.7000110.8N38 N46N38-I42 VanDerWaalsContact O-CG1 3.31Å; N38-I42 WeakPolarHBondContact O-CG1 3.33Å; N38-I42 PolarHBondContact O-N 3.39Å; N38-I42 WeakPolarHBondContact OD1-CD1 3.38Å; I42-N46 WeakPolarHBondContact O-CB 3.31Å; I42-N46 PolarHBondContact O-N 3.23Å
43A98.3Very high98.1Very high52 Ų5290.8 Ų90.843%0.4348%0.476SS..Hα-helixtrans-63.9-48.1176.500000112.4A39 D41 E45 N46 D47A39-A43 WeakPolarHBondContact O-CB 3.48Å; A39-A43 PolarHBondContact O-N 2.91Å; D41-A43 VanDerWaalsContact C-N 3.28Å; D41-A43 PolarHBondContact O-N 3.38Å; A43-E45 PolarHBondContact O-N 3.17Å; A43-N46 PolarHBondContact O-N 3.28Å; A43-D47 PolarHBondContact O-N 3.44Å; A43-D47 VanDerWaalsContact O-N 3.09Å
44R98.4Very high98Very high146 Ų14693.6 Ų93.655%0.55148%0.482SS*.Hα-helixtrans-63.2-41.4179-68.1-166.8-42-71.67.9112.3S40 D41 D47 R48S40-R44 WeakPolarHBondContact O-CG 3.42Å; S40-R44 PolarHBondContact O-N 3.34Å; S40-R44 VanDerWaalsContact O-N 3.08Å; S40-R44 PolarHBondContact O-NH1 3.38Å; D41-R44 PolarHBondContact O-N 2.97Å; D41-R44 IonicContact OD1-CZ 2.61Å; D41-R44 IonicContact OD1-NH1 2.71Å; D41-R44 PolarHBondContact OD1-NH1 3.45Å; D41-R44 IonicContact OD1-NH2 3.35Å; D41-R44 PolarHBondContact OD1-NH2 3.35Å; R44-D47 PolarHBondContact O-N 3.05Å; R44-R48 PolarHBondContact O-N 3.03Å
45E98.1Very high97.9Very high81 Ų8193.4 Ų93.438%0.37948%0.481SS..Hα-helixtrans-69.1-34.9176.6-179.856.4-162.300112.1D41 A43 R48 L49D41-E45 PolarHBondContact O-N 3.25Å; A43-E45 PolarHBondContact O-N 3.17Å; E45-R48 VanDerWaalsContact CD-NE 3.34Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.28Å; E45-R48 IonicContact OE1-CZ 2.72Å; E45-R48 IonicContact OE1-NE 3.4Å; E45-R48 PolarHBondContact OE1-NE 2.94Å; E45-R48 IonicContact OE1-NH2 2.82Å; E45-R48 PolarHBondContact OE1-NH2 3.38Å; E45-R48 WeakPolarHBondContact OE2-CD 3.31Å; E45-R48 IonicContact OE2-CZ 3.11Å; E45-R48 IonicContact OE2-NE 3.79Å; E45-R48 PolarHBondContact OE2-NE 2.87Å; E45-R48 IonicContact OE2-NH2 3.64Å; E45-L49 HydrophobicContact CG-CD1 4.13Å; E45-L49 WeakPolarHBondContact O-CG 3.33Å; E45-L49 PolarHBondContact O-N 3.16Å
46N98Very high97.7Very high88 Ų8893.1 Ų93.147%0.47149%0.486SS..Hα-helixtrans-61.5-45.8174.1-162.8-93000111.6I42 A43 L49 R50I42-N46 WeakPolarHBondContact O-CB 3.31Å; I42-N46 PolarHBondContact O-N 3.23Å; A43-N46 PolarHBondContact O-N 3.28Å; N46-L49 PolarHBondContact O-N 3.5Å; N46-R50 VanDerWaalsContact O-CG 3.25Å; N46-R50 WeakPolarHBondContact O-CG 3.47Å; N46-R50 PolarHBondContact O-N 2.89Å; N46-R50 WeakPolarHBondContact OD1-CD 3.25Å
47D98.1Very high97.6Very high76 Ų7694.8 Ų94.841%0.40649%0.486SS..Hα-helixtrans-67.6-34.4176.2-81-22.9000112.7A43 R44 R50 N51A43-D47 PolarHBondContact O-N 3.44Å; A43-D47 VanDerWaalsContact O-N 3.09Å; R44-D47 PolarHBondContact O-N 3.05Å; D47-R50 PolarHBondContact O-N 3.06Å; D47-R50 IonicContact OD1-CZ 3.19Å; D47-R50 IonicContact OD1-NH1 3.71Å; D47-R50 PolarHBondContact OD1-NH1 3.03Å; D47-N51 WeakPolarHBondContact O-CB 3.43Å; D47-N51 PolarHBondContact O-N 3.09Å; D47-N51 PolarHBondContact O-ND2 2.92Å
48R98.1Very high97.4Very high116 Ų11693.9 Ų93.944%0.43848%0.484SS..Hα-helixtrans-58.1-49170.4-161.7-16467.567.47.9111.3R44 E45 N51 E52R44-R48 PolarHBondContact O-N 3.03Å; E45-R48 VanDerWaalsContact CD-NE 3.34Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.28Å; E45-R48 IonicContact OE1-CZ 2.72Å; E45-R48 IonicContact OE1-NE 3.4Å; E45-R48 PolarHBondContact OE1-NE 2.94Å; E45-R48 IonicContact OE1-NH2 2.82Å; E45-R48 PolarHBondContact OE1-NH2 3.38Å; E45-R48 WeakPolarHBondContact OE2-CD 3.31Å; E45-R48 IonicContact OE2-CZ 3.11Å; E45-R48 IonicContact OE2-NE 3.79Å; E45-R48 PolarHBondContact OE2-NE 2.87Å; E45-R48 IonicContact OE2-NH2 3.64Å; R48-N51 PolarHBondContact O-N 3.35Å; R48-E52 IonicContact CZ-OE2 3.64Å; R48-E52 IonicContact NH1-OE2 3.3Å; R48-E52 PolarHBondContact NH1-OE2 2.69Å; R48-E52 IonicContact NH2-OE2 3.65Å; R48-E52 PolarHBondContact NH2-OE2 2.84Å; R48-E52 WeakPolarHBondContact O-CB 3.47Å; R48-E52 PolarHBondContact O-N 3.37Å
49L97.8Very high97.2Very high77 Ų7797.2 Ų97.240%0.40349%0.494SS..Hα-helixtrans-65.5-37.4178.4-70.8167.2000112.8E45 N46 T53E45-L49 HydrophobicContact CG-CD1 4.13Å; E45-L49 WeakPolarHBondContact O-CG 3.33Å; E45-L49 PolarHBondContact O-N 3.16Å; N46-L49 PolarHBondContact O-N 3.5Å; L49-T53 WeakPolarHBondContact O-CB 3.38Å; L49-T53 PolarHBondContact O-N 2.91Å; L49-T53 PolarHBondContact O-OG1 2.88Å
50R97.1Very high97.1Very high155 Ų15599 Ų9959%0.58549%0.492SS*.Hα-helixtrans-64.4-42174.1-71.8172.469-138.3-1.1111.6N46 D47 T53 N54N46-R50 VanDerWaalsContact O-CG 3.25Å; N46-R50 WeakPolarHBondContact O-CG 3.47Å; N46-R50 PolarHBondContact O-N 2.89Å; N46-R50 WeakPolarHBondContact OD1-CD 3.25Å; D47-R50 PolarHBondContact O-N 3.06Å; D47-R50 IonicContact OD1-CZ 3.19Å; D47-R50 IonicContact OD1-NH1 3.71Å; D47-R50 PolarHBondContact OD1-NH1 3.03Å; R50-T53 PolarHBondContact O-N 2.76Å; R50-N54 WeakPolarHBondContact O-CB 3.4Å; R50-N54 PolarHBondContact O-N 3.38Å
51N96.8Very high96.9Very high109 Ų109102 Ų10258%0.58350%0.499SS*.Hα-helixtrans-68.3-41.8176.7-70.8-25.8000111.9D47 R48 T53 N54 L55D47-N51 WeakPolarHBondContact O-CB 3.43Å; D47-N51 PolarHBondContact O-N 3.09Å; D47-N51 PolarHBondContact O-ND2 2.92Å; R48-N51 PolarHBondContact O-N 3.35Å; N51-T53 PolarHBondContact O-N 3.1Å; N51-N54 PolarHBondContact O-N 3.05Å; N51-L55 WeakPolarHBondContact O-CB 3.29Å; N51-L55 PolarHBondContact O-N 2.96Å
52E97.1Very high96.7Very high106 Ų106102.4 Ų102.450%0.49550%0.501SS..Hα-helixtrans-60.2-44.5173.7-171.9179.1161.800111.6R48 N54 L55 A56R48-E52 IonicContact CZ-OE2 3.64Å; R48-E52 IonicContact NH1-OE2 3.3Å; R48-E52 PolarHBondContact NH1-OE2 2.69Å; R48-E52 IonicContact NH2-OE2 3.65Å; R48-E52 PolarHBondContact NH2-OE2 2.84Å; R48-E52 WeakPolarHBondContact O-CB 3.47Å; R48-E52 PolarHBondContact O-N 3.37Å; E52-N54 PolarHBondContact O-N 2.95Å; E52-L55 PolarHBondContact O-N 3.44Å; E52-A56 WeakPolarHBondContact O-CB 3.39Å; E52-A56 PolarHBondContact O-N 3.25Å
53T97Very high96.5Very high99 Ų99100 Ų10061%0.60749%0.488SS*.Hα-helixtrans-63.3-40.6176.6-56.90000111.9L49 R50 N51 A56 Y57L49-T53 WeakPolarHBondContact O-CB 3.38Å; L49-T53 PolarHBondContact O-N 2.91Å; L49-T53 PolarHBondContact O-OG1 2.88Å; R50-T53 PolarHBondContact O-N 2.76Å; N51-T53 PolarHBondContact O-N 3.1Å; T53-A56 PolarHBondContact O-N 2.81Å; T53-Y57 PolarHBondContact O-N 2.99Å
54N96.4Very high96.2Very high100 Ų100102.5 Ų102.554%0.53549%0.489SS..Hα-helixtrans-64.3-46.4176.1-169.6-29.3000111.3R50 N51 E52 A56 Y57 L58R50-N54 WeakPolarHBondContact O-CB 3.4Å; R50-N54 PolarHBondContact O-N 3.38Å; N51-N54 PolarHBondContact O-N 3.05Å; E52-N54 PolarHBondContact O-N 2.95Å; N54-A56 VanDerWaalsContact C-N 3.33Å; N54-A56 PolarHBondContact O-N 3.43Å; N54-Y57 PolarHBondContact O-N 3.22Å; N54-L58 WeakPolarHBondContact O-CB 3.33Å; N54-L58 PolarHBondContact O-N 3.26Å
55L96.7Very high95.9Very high117 Ų117102.8 Ų102.861%0.61349%0.49SS*.Hα-helixtrans-62-39.6176.6-17760.2000112.1N51 E52 L58 K59N51-L55 WeakPolarHBondContact O-CB 3.29Å; N51-L55 PolarHBondContact O-N 2.96Å; E52-L55 PolarHBondContact O-N 3.44Å; L55-L58 PolarHBondContact O-N 3.33Å; L55-K59 WeakPolarHBondContact O-CB 3.47Å; L55-K59 PolarHBondContact O-N 3.38Å
56A95.9Very high95.5Very high61 Ų61103.9 Ų103.950%0.50449%0.49SS..Hα-helixtrans-62.1-45.1174.400000112.1E52 T53 N54 K59 E60E52-A56 WeakPolarHBondContact O-CB 3.39Å; E52-A56 PolarHBondContact O-N 3.25Å; T53-A56 PolarHBondContact O-N 2.81Å; N54-A56 VanDerWaalsContact C-N 3.33Å; N54-A56 PolarHBondContact O-N 3.43Å; A56-K59 PolarHBondContact O-N 3.1Å; A56-E60 PolarHBondContact O-N 2.72Å
57Y95.3Very high95.1Very high147 Ų147106.4 Ų106.458%0.57649%0.493SS*.Hα-helixtrans-63.6-42.1174.7172.6-109.1000112.5T53 N54 K59 E60 K61T53-Y57 PolarHBondContact O-N 2.99Å; N54-Y57 PolarHBondContact O-N 3.22Å; Y57-K59 PolarHBondContact O-N 3.1Å; Y57-E60 PolarHBondContact O-N 3Å; Y57-K61 WeakPolarHBondContact O-CB 3.19Å; Y57-K61 PolarHBondContact O-N 3.03Å
58L95.1Very high94.7Very high78 Ų78108.9 Ų108.941%0.40850%0.502SS..Hα-helixtrans-64.6-39.8176.8-176.759000111.7N54 L55 K61 N62N54-L58 WeakPolarHBondContact O-CB 3.33Å; N54-L58 PolarHBondContact O-N 3.26Å; L55-L58 PolarHBondContact O-N 3.33Å; L58-K61 PolarHBondContact O-N 3.33Å; L58-N62 WeakPolarHBondContact O-CB 3.22Å; L58-N62 VanDerWaalsContact O-CG 3.32Å; L58-N62 PolarHBondContact O-N 3.19Å; L58-N62 PolarHBondContact O-ND2 2.8Å
59K94.6Very high94.1Very high161 Ų161107.8 Ų107.870%0.750%0.502SS*.Hα-helixtrans-62.3-44.7172.8-173.6173.4-177.1172.60111.4L55 A56 Y57 N62 E63L55-K59 WeakPolarHBondContact O-CB 3.47Å; L55-K59 PolarHBondContact O-N 3.38Å; A56-K59 PolarHBondContact O-N 3.1Å; Y57-K59 PolarHBondContact O-N 3.1Å; K59-N62 PolarHBondContact O-N 2.76Å; K59-E63 VanDerWaalsContact O-CB 3.31Å; K59-E63 WeakPolarHBondContact O-CB 3.2Å; K59-E63 PolarHBondContact O-N 3.02Å
60E94.6Very high93.5Very high96 Ų96107.9 Ų107.945%0.44950%0.501SS..Hα-helixtrans-63.8-40.5176-158.4-149-177.900112.1A56 Y57 E63 K64A56-E60 PolarHBondContact O-N 2.72Å; Y57-E60 PolarHBondContact O-N 3Å; E60-E63 PolarHBondContact O-N 3.01Å; E60-K64 VanDerWaalsContact CD-CE 3.42Å; E60-K64 WeakPolarHBondContact O-CB 3.45Å; E60-K64 WeakPolarHBondContact O-CG 3.36Å; E60-K64 PolarHBondContact O-N 3.45Å; E60-K64 WeakPolarHBondContact OE1-CE 3.27Å; E60-K64 IonicContact OE1-NZ 2.77Å; E60-K64 PolarHBondContact OE1-NZ 3.01Å; E60-K64 IonicContact OE2-NZ 2.68Å; E60-K64 PolarHBondContact OE2-NZ 2.9Å
61K95.4Very high92.9Very high114 Ų114101.9 Ų101.950%0.49648%0.484SS..Hα-helixtrans-62.5-42.4175.3-176.9-179.6178.1-177.40112Y57 L58 K64 R65Y57-K61 WeakPolarHBondContact O-CB 3.19Å; Y57-K61 PolarHBondContact O-N 3.03Å; L58-K61 PolarHBondContact O-N 3.33Å; K61-K64 PolarHBondContact O-N 3.3Å; K61-R65 PolarHBondContact O-N 2.71Å
62N94.1Very high92.3Very high65 Ų65101.7 Ų101.735%0.34848%0.482SS..Hα-helixtrans-69.6-38.8176.8-71.4-22.9000112L58 K59 R65 R66L58-N62 WeakPolarHBondContact O-CB 3.22Å; L58-N62 VanDerWaalsContact O-CG 3.32Å; L58-N62 PolarHBondContact O-N 3.19Å; L58-N62 PolarHBondContact O-ND2 2.8Å; K59-N62 PolarHBondContact O-N 2.76Å; N62-R65 VanDerWaalsContact O-CB 3.31Å; N62-R65 WeakPolarHBondContact O-CB 3.42Å; N62-R65 PolarHBondContact O-N 3.26Å; N62-R65 PolarHBondContact OD1-NH2 3.3Å; N62-R66 PolarHBondContact O-N 2.95Å
63E94.4Very high91.7Very high57 Ų57103 Ų10327%0.26649%0.486SS..Hα-helixtrans-64.7-39173.9172.360.9-176.600112.3K59 E60 R65 R66 R67K59-E63 VanDerWaalsContact O-CB 3.31Å; K59-E63 WeakPolarHBondContact O-CB 3.2Å; K59-E63 PolarHBondContact O-N 3.02Å; E60-E63 PolarHBondContact O-N 3.01Å; E63-R65 VanDerWaalsContact C-N 3.34Å; E63-R66 VanDerWaalsContact CD-NH2 3.25Å; E63-R66 PolarHBondContact O-N 3.09Å; E63-R66 IonicContact OE1-CZ 2.76Å; E63-R66 IonicContact OE1-NH2 2.97Å; E63-R66 PolarHBondContact OE1-NH2 2.97Å; E63-R66 IonicContact OE2-CZ 2.7Å; E63-R66 VanDerWaalsContact OE2-CZ 3.3Å; E63-R66 IonicContact OE2-NE 3.13Å; E63-R66 PolarHBondContact OE2-NE 3.48Å; E63-R66 IonicContact OE2-NH2 2.71Å; E63-R66 PolarHBondContact OE2-NH2 3.28Å; E63-R67 VanDerWaalsContact CG-NH2 3.32Å; E63-R67 VanDerWaalsContact O-CG 3.29Å; E63-R67 WeakPolarHBondContact O-CG 3.37Å; E63-R67 PolarHBondContact O-N 3.08Å; E63-R67 IonicContact OE1-CZ 3.51Å; E63-R67 IonicContact OE1-NE 3.45Å; E63-R67 PolarHBondContact OE1-NE 2.78Å; E63-R67 IonicContact OE1-NH2 2.64Å; E63-R67 PolarHBondContact OE1-NH2 2.64Å
64K91.9Very high90.8Very high103 Ų103107 Ų10745%0.44849%0.49SS..Hα-helixtrans-61.6-41.2170.5-75.8167.3-179.6165.10111.7E60 K61 R67 Q68E60-K64 VanDerWaalsContact CD-CE 3.42Å; E60-K64 WeakPolarHBondContact O-CB 3.45Å; E60-K64 WeakPolarHBondContact O-CG 3.36Å; E60-K64 PolarHBondContact O-N 3.45Å; E60-K64 WeakPolarHBondContact OE1-CE 3.27Å; E60-K64 IonicContact OE1-NZ 2.77Å; E60-K64 PolarHBondContact OE1-NZ 3.01Å; E60-K64 IonicContact OE2-NZ 2.68Å; E60-K64 PolarHBondContact OE2-NZ 2.9Å; K61-K64 PolarHBondContact O-N 3.3Å; K64-R67 PolarHBondContact O-N 2.98Å; K64-Q68 PolarHBondContact O-N 3.22Å
65R90.6Very high89.6Confident152 Ų152109 Ų10957%0.57450%0.499SS*.Hα-helixtrans-60.8-48.8175.2-160-157.7-48.1-159.58.1111.6K61 N62 E63 R67 Q68 E69K61-R65 PolarHBondContact O-N 2.71Å; N62-R65 VanDerWaalsContact O-CB 3.31Å; N62-R65 WeakPolarHBondContact O-CB 3.42Å; N62-R65 PolarHBondContact O-N 3.26Å; N62-R65 PolarHBondContact OD1-NH2 3.3Å; E63-R65 VanDerWaalsContact C-N 3.34Å; R65-R67 PolarHBondContact O-N 2.68Å; R65-Q68 WeakPolarHBondContact O-CB 3.18Å; R65-Q68 PolarHBondContact O-N 3.22Å; R65-Q68 VanDerWaalsContact O-N 3.17Å; R65-E69 PolarHBondContact O-N 2.94Å
66R90.1Very high88Confident104 Ų104106.3 Ų106.339%0.39250%0.5SS..Hα-helixtrans-56.6-47.3176.6-173.7-171.566.680.56.4111.7N62 E63 Q68 E69 E70N62-R66 PolarHBondContact O-N 2.95Å; E63-R66 VanDerWaalsContact CD-NH2 3.25Å; E63-R66 PolarHBondContact O-N 3.09Å; E63-R66 IonicContact OE1-CZ 2.76Å; E63-R66 IonicContact OE1-NH2 2.97Å; E63-R66 PolarHBondContact OE1-NH2 2.97Å; E63-R66 IonicContact OE2-CZ 2.7Å; E63-R66 VanDerWaalsContact OE2-CZ 3.3Å; E63-R66 IonicContact OE2-NE 3.13Å; E63-R66 PolarHBondContact OE2-NE 3.48Å; E63-R66 IonicContact OE2-NH2 2.71Å; E63-R66 PolarHBondContact OE2-NH2 3.28Å; R66-Q68 VanDerWaalsContact C-N 3.33Å; R66-Q68 PolarHBondContact O-N 3.43Å; R66-E69 WeakPolarHBondContact O-CB 3.4Å; R66-E69 PolarHBondContact O-N 2.83Å; R66-E70 WeakPolarHBondContact CG-OE1 3.17Å; R66-E70 IonicContact CZ-OE1 2.79Å; R66-E70 IonicContact CZ-OE2 2.69Å; R66-E70 IonicContact NH1-OE1 2.62Å; R66-E70 PolarHBondContact NH1-OE1 3.23Å; R66-E70 IonicContact NH1-OE2 2.63Å; R66-E70 PolarHBondContact NH1-OE2 3.43Å; R66-E70 WeakPolarHBondContact O-CB 3.42Å; R66-E70 WeakPolarHBondContact O-CG 3.35Å; R66-E70 PolarHBondContact O-N 2.94Å
67R90.8Very high85.9Confident142 Ų142106.3 Ų106.354%0.53651%0.506SS..Hα-helixtrans-62.8-35.7177.1-68.7170.9-169.6176.74.8113.2E63 K64 R65 A71E63-R67 VanDerWaalsContact CG-NH2 3.32Å; E63-R67 VanDerWaalsContact O-CG 3.29Å; E63-R67 WeakPolarHBondContact O-CG 3.37Å; E63-R67 PolarHBondContact O-N 3.08Å; E63-R67 IonicContact OE1-CZ 3.51Å; E63-R67 IonicContact OE1-NE 3.45Å; E63-R67 PolarHBondContact OE1-NE 2.78Å; E63-R67 IonicContact OE1-NH2 2.64Å; E63-R67 PolarHBondContact OE1-NH2 2.64Å; K64-R67 PolarHBondContact O-N 2.98Å; R65-R67 PolarHBondContact O-N 2.68Å; R67-A71 WeakPolarHBondContact O-CB 3.42Å; R67-A71 PolarHBondContact O-N 2.74Å
68Q89.6Confident83.7Confident127 Ų127108 Ų10859%0.59352%0.519SS*.Hα-helixtrans-67.3-45.2174.1-176.6-178.20.300111.1K64 R65 R66 E70 A71 I72K64-Q68 PolarHBondContact O-N 3.22Å; R65-Q68 WeakPolarHBondContact O-CB 3.18Å; R65-Q68 PolarHBondContact O-N 3.22Å; R65-Q68 VanDerWaalsContact O-N 3.17Å; R66-Q68 VanDerWaalsContact C-N 3.33Å; R66-Q68 PolarHBondContact O-N 3.43Å; Q68-E70 VanDerWaalsContact C-N 3.34Å; Q68-E70 PolarHBondContact O-N 3.17Å; Q68-A71 WeakPolarHBondContact O-CB 3.26Å; Q68-A71 PolarHBondContact O-N 3.46Å; Q68-A71 VanDerWaalsContact O-N 3.17Å; Q68-I72 HydrophobicContact CG-CD1 4.14Å; Q68-I72 WeakPolarHBondContact O-CG1 3.12Å; Q68-I72 PolarHBondContact O-N 3.11Å
69E84.7Confident81.6Confident94 Ų94110.9 Ų110.944%0.43954%0.539SS..Hα-helixtrans-60.8-42176.1-165.8-170.4134.400111.8R65 R66 A71 I72 K73R65-E69 PolarHBondContact O-N 2.94Å; R66-E69 WeakPolarHBondContact O-CB 3.4Å; R66-E69 PolarHBondContact O-N 2.83Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.32Å; E69-I72 PolarHBondContact O-N 3.19Å; E69-K73 HydrophobicContact CG-CD 4.42Å; E69-K73 WeakPolarHBondContact O-CB 3.36Å; E69-K73 WeakPolarHBondContact O-CG 3.46Å; E69-K73 PolarHBondContact O-N 3.32Å; E69-K73 WeakPolarHBondContact OE1-CE 3.5Å; E69-K73 IonicContact OE1-NZ 2.76Å; E69-K73 PolarHBondContact OE1-NZ 3.34Å
70E85.2Confident79.3Confident78 Ų78106.3 Ų106.336%0.36454%0.538SS..Hα-helixtrans-69.6-26.3174.6-74.9168.7-174.100113.7R66 Q68 R74R66-E70 WeakPolarHBondContact CG-OE1 3.17Å; R66-E70 IonicContact CZ-OE1 2.79Å; R66-E70 IonicContact CZ-OE2 2.69Å; R66-E70 IonicContact NH1-OE1 2.62Å; R66-E70 PolarHBondContact NH1-OE1 3.23Å; R66-E70 IonicContact NH1-OE2 2.63Å; R66-E70 PolarHBondContact NH1-OE2 3.43Å; R66-E70 WeakPolarHBondContact O-CB 3.42Å; R66-E70 WeakPolarHBondContact O-CG 3.35Å; R66-E70 PolarHBondContact O-N 2.94Å; Q68-E70 VanDerWaalsContact C-N 3.34Å; Q68-E70 PolarHBondContact O-N 3.17Å; E70-R74 WeakPolarHBondContact O-CG 3.13Å; E70-R74 PolarHBondContact O-N 3.41Å; E70-R74 PolarHBondContact O-NE 2.71Å
71A84.8Confident77.2Confident29 Ų29114.3 Ų114.324%0.2456%0.564CS.*Hα-helixtrans-70.9-44.4169.200000111.1R67 Q68 E69 R74 I75R67-A71 WeakPolarHBondContact O-CB 3.42Å; R67-A71 PolarHBondContact O-N 2.74Å; Q68-A71 WeakPolarHBondContact O-CB 3.26Å; Q68-A71 PolarHBondContact O-N 3.46Å; Q68-A71 VanDerWaalsContact O-N 3.17Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.32Å; A71-R74 PolarHBondContact O-N 2.83Å; A71-I75 WeakPolarHBondContact O-CG1 3.35Å; A71-I75 PolarHBondContact O-N 3.47Å; A71-I75 VanDerWaalsContact O-N 3.11Å
72I84Confident74.5Confident106 Ų106112.4 Ų112.454%0.54458%0.576SS.*Hα-helixtrans-61.8-46.1176.2-66.5163.3000110.5Q68 E69 R74 I75 G76Q68-I72 HydrophobicContact CG-CD1 4.14Å; Q68-I72 WeakPolarHBondContact O-CG1 3.12Å; Q68-I72 PolarHBondContact O-N 3.11Å; E69-I72 PolarHBondContact O-N 3.19Å; I72-R74 VanDerWaalsContact C-N 3.32Å; I72-R74 PolarHBondContact O-N 3.45Å; I72-I75 PolarHBondContact O-N 3.29Å; I72-I75 VanDerWaalsContact O-N 3.11Å; I72-G76 PolarHBondContact O-N 3Å
73K85.2Confident72Confident132 Ų132117.4 Ų117.457%0.57460%0.597SS**Hα-helixtrans-59.5-38176.7-76.1170172.1172.40113E69 G77E69-K73 HydrophobicContact CG-CD 4.42Å; E69-K73 WeakPolarHBondContact O-CB 3.36Å; E69-K73 WeakPolarHBondContact O-CG 3.46Å; E69-K73 PolarHBondContact O-N 3.32Å; E69-K73 WeakPolarHBondContact OE1-CE 3.5Å; E69-K73 IonicContact OE1-NZ 2.76Å; E69-K73 PolarHBondContact OE1-NZ 3.34Å; K73-G77 PolarHBondContact O-N 2.76Å
74R76.9Confident69.8Low185 Ų185122.8 Ų122.870%0.69862%0.623SS**Hα-helixtrans-72-26.4175.4-75.7179.6-64.2117-4.6113.9E70 A71 I72E70-R74 WeakPolarHBondContact O-CG 3.13Å; E70-R74 PolarHBondContact O-N 3.41Å; E70-R74 PolarHBondContact O-NE 2.71Å; A71-R74 PolarHBondContact O-N 2.83Å; I72-R74 VanDerWaalsContact C-N 3.32Å; I72-R74 PolarHBondContact O-N 3.45Å
75I72.2Confident67.4Low141 Ų141121.2 Ų121.272%0.72364%0.636SS**Hα-helixtrans-84.3-35.2176.8-65.4165.2000111A71 I72 G77A71-I75 WeakPolarHBondContact O-CG1 3.35Å; A71-I75 PolarHBondContact O-N 3.47Å; A71-I75 VanDerWaalsContact O-N 3.11Å; I72-I75 PolarHBondContact O-N 3.29Å; I72-I75 VanDerWaalsContact O-N 3.11Å; I75-G77 VanDerWaalsContact C-N 3.28Å; I75-G77 PolarHBondContact O-N 3.48Å
76G61.8Low65.7Low61 Ų61119.1 Ų119.163%0.62964%0.644SS**THydrogen-bonded Turntrans-77.2-7.2174.700000115.1I72I72-G76 PolarHBondContact O-N 3Å
77G53.2Low63.3Low60 Ų60125.3 Ų125.362%0.61967%0.669SS**THydrogen-bonded Turntrans-80.9-9.6-176.600000115.6K73 I75K73-G77 PolarHBondContact O-N 2.76Å; I75-G77 VanDerWaalsContact C-N 3.28Å; I75-G77 PolarHBondContact O-N 3.48Å
78E48.2Very low61.3Low184 Ų184125.3 Ų125.386%0.8668%0.684SS**  trans-104.735.4-174.9-153.8172.8-16900113.4
79V50.3Low59.5Low138 Ų138122.2 Ų122.284%0.83669%0.687SS**SBendtrans-106.7100.2156-179.20000106.4
80G46.7Very low57.9Low65 Ų65126.3 Ų126.367%0.6770%0.703SS**  trans-68.2163-161.200000115.5G82G80-G82 VanDerWaalsContact C-N 3.26Å; G80-G82 PolarHBondContact O-N 2.94Å
81R50.8Low56.2Low264 Ų264132.1 Ų132.1100%0.99673%0.73SS**  trans-64.585.6164.5-77.9-170.7-77.8-107.82.7110.1
82G40Very low54.3Low73 Ų73139.5 Ų139.575%0.75376%0.757SS**  trans-95.796.8173.300000111.3G80G80-G82 VanDerWaalsContact C-N 3.26Å; G80-G82 PolarHBondContact O-N 2.94Å
83H40.4Very low52.7Low171 Ų171145.4 Ų145.479%0.79277%0.772SS**  trans-2.1131.4159.4-170.1-77.7000118.9
84E48.4Very low50.8Low170 Ų170147.9 Ų147.979%0.79479%0.788SS**  trans1.2120.8148.5-87.5-74.1-171.300117.2
85G42Very low49.4Very low70 Ų70141.6 Ų141.672%0.72278%0.781SS**  trans17677.2-175.600000114.6Y87G85-Y87 PolarHBondContact O-N 3.49Å
86S54.7Low48.3Very low108 Ų108144.2 Ų144.276%0.75579%0.787SS**  trans-60.7123.3166.71760000111.2
87Y40.2Very low47.3Very low234 Ų234149.6 Ų149.692%0.91880%0.798SS**  trans-152.6146.4152.8-103.7-66.7000113.4G85G85-Y87 PolarHBondContact O-N 3.49Å
88V48.6Very low46.8Very low141 Ų141152.7 Ų152.786%0.85581%0.805SS**  trans-82.6126.6-172.2171.70000113.2
89G51.2Low46.9Very low62 Ų62151 Ų15164%0.63980%0.799SS**  trans95-179.1141.300000118.4
90K50.4Low46.5Very low180 Ų180150.4 Ų150.478%0.78380%0.798SS**  trans70.883.7-179.6-52.8173.8-171.4172.70115F92K90-F92 HydrophobicContact CB-CD2 4.16Å; K90-F92 HydrophobicContact CB-CE2 4.28Å; K90-F92 PolarHBondContact O-N 2.9Å
91H50.7Low46.2Very low201 Ų201151.6 Ų151.693%0.93180%0.801SS**  trans-5997.3164.2-87.149.4000111.4R93H91-R93 PolarHBondContact O-N 2.93Å
92F44.7Very low46.4Very low184 Ų184144.9 Ų144.981%0.80779%0.792SS**  trans-90.478.8171.4-97.3-86000112.3K90 M94K90-F92 HydrophobicContact CB-CD2 4.16Å; K90-F92 HydrophobicContact CB-CE2 4.28Å; K90-F92 PolarHBondContact O-N 2.9Å; F92-M94 PolarHBondContact O-N 3.31Å
93R49.9Very low46.3Very low230 Ų230150.5 Ų150.587%0.86880%0.799SS**  trans20.394.4142.6-165.9-159.5-46.8-87.50.8116.8H91H91-R93 PolarHBondContact O-N 2.93Å
94M44.6Very low46.3Very low183 Ų183148.6 Ų148.690%0.90179%0.794SS**  trans-113.2125150.6-167.265.773.600108.2F92F92-M94 PolarHBondContact O-N 3.31Å
95G48.5Very low45.8Very low53 Ų53152.3 Ų152.355%0.54680%0.801SS.*  trans-82.4168.6176.400000112.1
96F49.2Very low45.7Very low197 Ų197156.1 Ų156.186%0.86480%0.804SS**  cis-139.8118.19.2-93.8-109.5000110.8
97M40Very low45.4Very low173 Ų173156.8 Ų156.885%0.85281%0.806SS**  trans-145.569.9158.9-76.1-160.173.800110.2M99M97-M99 PolarHBondContact O-N 3.37Å
98T44Very low45.2Very low125 Ų125153.7 Ų153.777%0.76780%0.8SS**  trans-7787.7173.8-530000109.9P100T98-P100 WeakPolarHBondContact O-CD 3.26Å
99M48.6Very low45.2Very low150 Ų150152.9 Ų152.974%0.73980%0.797SS**  trans-61.1126.8162.3-69.9-66.5-69.200109.4M97 A101M97-M99 PolarHBondContact O-N 3.37Å; M99-A101 PolarHBondContact O-N 3.18Å
100P43.3Very low44.7Very low124 Ų124155.6 Ų155.681%0.80581%0.805SS**  trans-69.8109.9167.9-16.831.9000109.4T98T98-P100 WeakPolarHBondContact O-CD 3.26Å
101A40.5Very low43.8Very low90 Ų90152.5 Ų152.574%0.74481%0.806SS**  trans-76.1144.2170.400000110.3M99M99-A101 PolarHBondContact O-N 3.18Å
102P54.3Low43.2Very low124 Ų124148.6 Ų148.681%0.80580%0.801SS**  trans-80.5136.5178.732.1-33.8000111.9
103Q38.8Very low42.9Very low190 Ų190143 Ų14389%0.88880%0.795SS**  trans-132.9101.3155.8-69.9-173.6-34.300106
104D38.8Very low42.4Very low131 Ų131142.7 Ų142.770%0.70180%0.801SS**  83.69372.6179.828000112.4
105R38.2Very low42.3Very low248 Ų248139.2 Ų139.294%0.93679%0.794SS**  trans-147.3142.1130.2-67.6-155.2173.6-172.3-3.1109.9
106L40.7Very low42.3Very low150 Ų150143.3 Ų143.379%0.78581%0.809SS**  trans-82.3172.7179.3-57.8169000111.7
107P48.3Very low41.9Very low122 Ų122143.5 Ų143.579%0.79280%0.804SS**  cis-132.3-173.2-0.228.3-3.9000116.3
108H35.4Very low42.2Very low170 Ų170140.2 Ų140.279%0.78780%0.798SS**  trans-55.5174.7172.3-67.1-51.5000116.7
109P49.7Very low42.1Very low123 Ų123142 Ų14280%0.79980%0.797SS**  cis-140.5-178.320.942.3-21.7000119.7
110C39.4Very low41.9Very low119 Ų119139.1 Ų139.180%0.80479%0.792SS**  trans-63.5162.5-175.5-43.40000116.2
111S32.3Very low41.9Very low116 Ų116141.3 Ų141.381%0.81180%0.796SS**  174.4164.4103.3-163.70000114.5
112S39Very low42.1Very low118 Ų118144.8 Ų144.883%0.82580%0.796SS**  trans79.8120.9154.5-1560000121.4
113G37.2Very low41.8Very low66 Ų66145 Ų14568%0.6880%0.801SS**  106.880.6116.100000118.9S115G113-S115 PolarHBondContact O-N 2.59Å
114F40.3Very low41.9Very low224 Ų224142.7 Ų142.798%0.98280%0.8SS**  trans-64.9126.6149.7-90-95.3000109.2
115S41.4Very low41.9Very low110 Ų110140.5 Ų140.577%0.76981%0.808SS**  trans-138.8115.1169.2-167.50000110.6G113 R117G113-S115 PolarHBondContact O-N 2.59Å; S115-R117 PolarHBondContact O-N 3.43Å
116V48Very low41.8Very low139 Ų139131.8 Ų131.884%0.84280%0.795SS**  trans-79.1105173.3177.30000108
117R40.8Very low41.9Very low202 Ų202130.7 Ų130.776%0.76280%0.795SS**  trans-103.290.6172.1-167169.5-174.4136.11.4111.1S115 Q119S115-R117 PolarHBondContact O-N 3.43Å; R117-Q119 HydrophobicContact CG-CG 4.21Å
118S46.6Very low41.3Very low104 Ų104131 Ų13173%0.72779%0.79SS**  trans-59.713815643.90000109.6
119Q42.6Very low41.5Very low162 Ų162130.5 Ų130.576%0.75779%0.793SS**  trans-126.8109.7159.8-69-145.547.900108.7R117R117-Q119 HydrophobicContact CG-CG 4.21Å
120S44.3Very low41.1Very low90 Ų90131.5 Ų131.563%0.62979%0.792SS**  trans-101.9130.4159.5170.20000106.7
121L44.3Very low41.1Very low170 Ų170130.7 Ų130.789%0.8979%0.787SS**  trans-145.3157.7143.6-85.5-167.3000109.1
122H44.3Very low41.1Very low162 Ų162130.2 Ų130.275%0.7578%0.784SS**  trans-103.7149.9-176.2-5424.6000108.9
123S47.6Very low41.1Very low128 Ų128130.7 Ų130.790%0.89579%0.786SS**  trans-139.7147.4160.8-76.10000110.1
124V41.3Very low41Very low143 Ų143131.2 Ų131.287%0.86779%0.791SS**  trans-129150.5-177.3-68.60000110.1
125G38Very low41.1Very low85 Ų85126 Ų12688%0.87678%0.782SS**  trans81149.5166.100000116.4
126G36.7Very low41.3Very low64 Ų64132.4 Ų132.466%0.6679%0.789SS**  trans111.1103-168.700000109.9
127T42.4Very low41.1Very low127 Ų127136.5 Ų136.578%0.77979%0.79SS**  cis71.6146.232.783.30000114.9
128D34.9Very low42Very low129 Ų129135.2 Ų135.269%0.6979%0.793SS**  trans55.891.8171.633.1-56.6000120.1
129D40.4Very low42.6Very low160 Ų160135.5 Ų135.586%0.85679%0.792SS**  76140118.4-59-35.4000125.6
130D41.1Very low43.3Very low144 Ų144133.3 Ų133.377%0.7779%0.792SS**  trans74.7131.9154.6-124.6-84000124.9
131S38.8Very low44.3Very low102 Ų102135 Ų13571%0.71380%0.801SS**  trans32.7116.8159-66.50000120.5
132S33.2Very low45.2Very low105 Ų105136.2 Ų136.273%0.73480%0.799SS**  -177.4150.557.8-172.60000114.2
133C38.9Very low46Very low129 Ų129134.5 Ų134.587%0.87280%0.802SS**  trans20.7109.4157.1-57.30000120.6
134G35.5Very low46.9Very low77 Ų77138.6 Ų138.679%0.79480%0.804SS**  trans-150.918.4-178.500000119.8R136G134-R136 PolarHBondContact O-N 3.39Å
135S42.5Very low48.3Very low113 Ų113139.5 Ų139.579%0.7979%0.792SS**  trans3771.4166-175.10000118.2R137S135-R137 PolarHBondContact O-N 2.69Å
136R45.4Very low49.3Very low245 Ų245140.9 Ų140.993%0.92578%0.779SS**  trans-62.3122.1162.2-91.1-172.2176.4-120.61.9110.1G134 Q138G134-R136 PolarHBondContact O-N 3.39Å; R136-Q138 PolarHBondContact O-N 2.76Å; R136-Q138 VanDerWaalsContact O-N 3.13Å
137R44.3Very low50.6Low225 Ų225143.6 Ų143.685%0.84979%0.785SS**  trans-63.5110177.7-65.2178.7-179-111.54.6110.5S135S135-R137 PolarHBondContact O-N 2.69Å
138Q59.2Low50.9Low176 Ų176142.2 Ų142.282%0.82278%0.78SS**PPolyproline II helixtrans-65.2148.6161.2-75.2-172.9-13.100110R136R136-Q138 PolarHBondContact O-N 2.76Å; R136-Q138 VanDerWaalsContact O-N 3.13Å
139P59.8Low51.6Low110 Ų110139.3 Ų139.371%0.71477%0.767SS**PPolyproline II helixtrans-63.6147.716829.1-34.5000110
140P57.3Low52.1Low115 Ų115140.7 Ų140.775%0.74777%0.766SS**PPolyproline II helixtrans-63141.7-179.526.5-34.4000111.2
141P63.9Low52.4Low126 Ų126140.2 Ų140.282%0.81876%0.762SS**PPolyproline II helixtrans-61.9139.8176.426.2-33.8000110.5
142K62.9Low52.4Low195 Ų195140.9 Ų140.985%0.84877%0.767SS**PPolyproline II helixtrans-57.5140.5-179.2-65176.2-178.9175.60110.4K144K142-K144 PolarHBondContact O-N 3.27Å
143P61.9Low52.8Low127 Ų127142.1 Ų142.183%0.82577%0.77SS**PPolyproline II helixtrans-58.4133.9178.124.3-33.6000110.7R145P143-R145 PolarHBondContact O-N 3.42Å
144K67.3Low52.7Low213 Ų213141.5 Ų141.593%0.92677%0.768SS**PPolyproline II helixtrans-69.8117.7-178.2-137.8177.1-174.5-178.30108.6K142K142-K144 PolarHBondContact O-N 3.27Å
145R69.3Low53Low163 Ų163142.5 Ų142.562%0.61576%0.762SS**PPolyproline II helixtrans-70.5136-179-178.8173.6174.6137.4-4.1110.5P143 T149P143-R145 PolarHBondContact O-N 3.42Å; R145-T149 PolarHBondContact NE-OG1 3.24Å; R145-T149 PolarHBondContact NH2-OG1 3.48Å
146D59.8Low52.8Low114 Ų114144.8 Ų144.861%0.6176%0.761SS**PPolyproline II helixtrans-67.1134.7-177.1-110.4-52.5000112.8S148 T149D146-S148 PolarHBondContact O-N 3.33Å; D146-S148 VanDerWaalsContact O-N 3.07Å; D146-T149 PolarHBondContact O-N 3.19Å; D146-T149 PolarHBondContact O-OG1 3.34Å
147P63.9Low52.5Low121 Ų121138.9 Ų138.979%0.78675%0.752SS**THydrogen-bonded Turntrans-61.6-17-177.3-24.134.4000115.2T149P147-T149 VanDerWaalsContact C-N 3.27Å; P147-T149 PolarHBondContact O-N 2.89Å
148S48.6Very low51.9Low97 Ų97135 Ų13568%0.67875%0.752SS**THydrogen-bonded Turntrans-72.4-15.9179.255.70000113.9D146 K150D146-S148 PolarHBondContact O-N 3.33Å; D146-S148 VanDerWaalsContact O-N 3.07Å; S148-K150 PolarHBondContact O-N 2.88Å
149T49.7Very low50.6Low68 Ų68132 Ų13242%0.41775%0.751SS.*  trans-80.560.1-176.355.80000113.7R145 D146 P147 L151R145-T149 PolarHBondContact NE-OG1 3.24Å; R145-T149 PolarHBondContact NH2-OG1 3.48Å; D146-T149 PolarHBondContact O-N 3.19Å; D146-T149 PolarHBondContact O-OG1 3.34Å; P147-T149 VanDerWaalsContact C-N 3.27Å; P147-T149 PolarHBondContact O-N 2.89Å; T149-L151 PolarHBondContact O-N 2.97Å
150K51.3Low49.2Very low190 Ų190131.8 Ų131.883%0.82675%0.753SS**  trans-61.195.3169.1-71.7-169.4177.7-174.50110.5S148 S152S148-K150 PolarHBondContact O-N 2.88Å; K150-S152 PolarHBondContact O-N 2.88Å
151L46.1Very low48.1Very low133 Ų133133 Ų13370%0.69676%0.758SS**  trans-74114.3158.9-67.1175.6000107.3T149 T153T149-L151 PolarHBondContact O-N 2.97Å; L151-T153 PolarHBondContact O-N 3.42Å; L151-T153 VanDerWaalsContact O-N 3.08Å
152S39.3Very low46.5Very low117 Ų117132.2 Ų132.282%0.81876%0.762SS**  trans-70.3103.1177.8-60.90000110.6K150K150-S152 PolarHBondContact O-N 2.88Å
153T42.1Very low45.1Very low130 Ų130127.4 Ų127.480%0.79876%0.759SS**  trans-80.3119.3163.1500000109.4L151L151-T153 PolarHBondContact O-N 3.42Å; L151-T153 VanDerWaalsContact O-N 3.08Å
154S37.7Very low43.5Very low117 Ų117127.1 Ų127.182%0.81876%0.759SS**  trans-137110.8163.3-61.50000107.8
155S40.8Very low41.9Very low97 Ų97127 Ų12768%0.67876%0.759SS**  trans-89.6164.5174.5-58.10000110.9
156E37.6Very low40Very low162 Ų162125.4 Ų125.476%0.75777%0.773SS**  trans61.5104.2141.8-76.3166.910400121
157T39Very low38.6Very low121 Ų121123.7 Ų123.774%0.74278%0.782SS**  60.6176.3120.264.90000121.4
158V32.6Very low37.2Very low142 Ų142128 Ų12886%0.86179%0.789SS**  trans69.5146.8173.2-55.10000119.8
159S32.8Very low36.9Very low113 Ų113128.7 Ų128.779%0.7979%0.791SS**  trans-96.1-171.3-170.5-45.70000112.4
160S29.5Very low36.5Very low107 Ų107131.3 Ų131.375%0.74881%0.809SS**  trans97.192.4157.4-50.60000117.7
161T33.1Very low35.4Very low141 Ų141128.9 Ų128.987%0.86580%0.801SS**  trans19.2123.3130.555.40000120.1
162A30.4Very low34.8Very low108 Ų108132.9 Ų132.989%0.89381%0.807SS**  trans-147.5146.4144.900000109.7
163A33.8Very low34.5Very low95 Ų95133.2 Ų133.279%0.78580%0.804SS**  trans-151.3142.5-177.900000113.5
164S28.7Very low34Very low120 Ų120135.7 Ų135.784%0.83981%0.806SS**  trans-165.1129159.9-78.20000107.7
165K33.6Very low33.8Very low210 Ų210136.6 Ų136.691%0.91381%0.807SS**  cis87.180.839.2-73.3-168173.1178.30115.8
166S30.2Very low33.4Very low131 Ų131137.5 Ų137.592%0.91681%0.813SS**  trans-169.2158.2134.357.60000108.2
167G29.1Very low33.2Very low78 Ų78134.2 Ų134.280%0.80481%0.813SS**  cis-138.1-156.4-5.100000111.7
168K35.3Very low33.4Very low211 Ų211138.1 Ų138.192%0.91782%0.82SS**  trans-105.6164.6-172.8-97-170.5174.8-1740114.6
169P42.6Very low33.8Very low112 Ų112137.4 Ų137.473%0.72782%0.818SS**  trans-99173.6-167.840.9-38.3000115
170P40.2Very low33.7Very low123 Ų123143.5 Ų143.580%0.79982%0.824SS**  -135.9178.3112.339-28.7000111.1
171E29Very low34.4Very low139 Ų139144.3 Ų144.365%0.6583%0.827SS**  cis178.3133.3-25.3177.8-173.7160.100106.3
172R34.2Very low34.5Very low217 Ų217145.3 Ų145.382%0.81982%0.821SS**  trans65.3164160.4-80.2176.2174.1141.2-7.4122.6
173T32.5Very low35.3Very low124 Ų124145.5 Ų145.576%0.76182%0.816SS**  trans80.284.8161.7-43.70000119.3
174E32.1Very low35.7Very low182 Ų182146.5 Ų146.585%0.8581%0.808SS**  46.5160.1114.7-143.7169.5-154.400123.4
175V32.4Very low36.3Very low136 Ų136149.3 Ų149.382%0.82481%0.808SS**  trans76.2135.2169-1400000118.5
176S32Very low36.8Very low115 Ų115150.6 Ų150.680%0.80481%0.809SS**  trans-89.3132.6-174.5172.40000113.4
177A34.3Very low37.7Very low93 Ų93149.8 Ų149.877%0.76980%0.803SS**  trans-149.9141.8159.900000111.8
178K42.8Very low38.7Very low204 Ų204154.7 Ų154.789%0.88780%0.802SS**  trans-90.7144.5178.3-71.8173.4176.5169.70112.3
179P40.9Very low39.5Very low126 Ų126154.9 Ų154.982%0.81880%0.803SS**  trans-107.3179.9138.932.8-27.2000112.5
180R31.4Very low40.5Very low242 Ų242156.5 Ų156.591%0.91380%0.804SS**PPolyproline II helixtrans-91.3163.2-167.3-92.8-179.617091.9-4.7114
181P44.5Very low41.6Very low124 Ų124155.5 Ų155.581%0.80580%0.798SS**PPolyproline II helixtrans-83.8153.1-16533.3-37.3000115.4
182H35Very low43.3Very low162 Ų162154.6 Ų154.675%0.7580%0.803SS**PPolyproline II helixtrans-92.1154.2163.6-151.7-95.1000110D184H182-D184 IonicContact CE1-OD2 3.18Å; H182-D184 PolarHBondContact CE1-OD2 3.3Å; H182-D184 IonicContact CG-OD2 3.96Å; H182-D184 IonicContact ND1-OD2 2.68Å; H182-D184 PolarHBondContact ND1-OD2 3.04Å
183S46.6Very low45Very low111 Ų111150.1 Ų150.178%0.77680%0.803SS**  trans-11747-157620000116.4
184D42.9Very low46.5Very low117 Ų117153.6 Ų153.663%0.62681%0.807SS**  trans-107.7-8.6-170.9-65.3-54.5000116.7H182 Y186H182-D184 IonicContact CE1-OD2 3.18Å; H182-D184 PolarHBondContact CE1-OD2 3.3Å; H182-D184 IonicContact CG-OD2 3.96Å; H182-D184 IonicContact ND1-OD2 2.68Å; H182-D184 PolarHBondContact ND1-OD2 3.04Å; D184-Y186 VanDerWaalsContact C-N 3.32Å; D184-Y186 PolarHBondContact O-N 3.45Å
185E41.9Very low48.3Very low179 Ų179151 Ų15184%0.83681%0.806SS**G310 helixtrans-79.8-5.6-163-61.9-171118.200115.6S187E185-S187 PolarHBondContact O-N 3.3Å
186Y42.9Very low50.2Low237 Ų237154 Ų15493%0.92981%0.808SS**G310 helixtrans-75.813.3-171-99.1-80.8000116.8D184D184-Y186 VanDerWaalsContact C-N 3.32Å; D184-Y186 PolarHBondContact O-N 3.45Å
187S48.6Very low52.1Low114 Ų114155.8 Ų155.880%0.79780%0.797SS**G310 helixtrans-102.7-2.5-178.4-65.60000115.7E185E185-S187 PolarHBondContact O-N 3.3Å
188K50.4Low53.5Low181 Ų181156.3 Ų156.379%0.78779%0.787SS**SBendtrans-107.7113.9177.2-70178.7-178.4172.50111I190K188-I190 VanDerWaalsContact C-N 3.35Å; K188-I190 PolarHBondContact O-N 2.93Å
189K52.5Low54.8Low214 Ų214152.7 Ų152.793%0.9378%0.784SS**  trans-76.881.9178.5-69.6-162.3177.6-1710111.8
190I62.6Low55.6Low146 Ų146153.1 Ų153.175%0.74978%0.78SS**PPolyproline II helixtrans-68.8129168-55.8169.8000108.1K188K188-I190 VanDerWaalsContact C-N 3.35Å; K188-I190 PolarHBondContact O-N 2.93Å
191P64.9Low56.8Low103 Ų103144.4 Ų144.467%0.66975%0.754SS**PPolyproline II helixtrans-59.8146.9172.7-2334.1000111.4
192P63.8Low57.3Low119 Ų119147.3 Ų147.377%0.77376%0.757SS**PPolyproline II helixtrans-58.9136.1178.225.2-33.9000110.4
193P69.3Low58.2Low124 Ų124145.1 Ų145.181%0.80575%0.75SS**PPolyproline II helixtrans-61.6142.2-178.625.2-33.8000110.8
194K64.4Low58.2Low197 Ų197145.5 Ų145.586%0.85775%0.752SS**PPolyproline II helixtrans-56.1138.4179.9-68.6179.7178.1177.70110.2K196K194-K196 PolarHBondContact O-N 3.36Å
195P70.4Confident58.2Low127 Ų127146.3 Ų146.383%0.82576%0.762SS**PPolyproline II helixtrans-52.7128.7177.1-27.835.3000111.9R197P195-R197 PolarHBondContact O-N 3.49Å; P195-R197 VanDerWaalsContact O-N 3.16Å
196K72.2Confident58.3Low199 Ų199142.9 Ų142.987%0.86576%0.758SS**  trans-69.4111.9-179.5-165177.3-175.7-177.70108.9K194 N198K194-K196 PolarHBondContact O-N 3.36Å; K196-N198 PolarHBondContact O-N 2.92Å
197R71Confident58.2Low153 Ų153139.6 Ų139.658%0.57775%0.748SS**  trans-57.8126.8-178.4177.4170.8130.378-0.2110.6P195 T201P195-R197 PolarHBondContact O-N 3.49Å; P195-R197 VanDerWaalsContact O-N 3.16Å; R197-T201 VanDerWaalsContact CZ-O 3.22Å; R197-T201 PolarHBondContact NH1-O 3.33Å; R197-T201 PolarHBondContact NH1-OG1 3.16Å; R197-T201 PolarHBondContact NH2-O 2.95Å
198N64.7Low57.8Low103 Ų103141.3 Ų141.355%0.55175%0.749SS**  trans-60.8130-178.6-62.6-11.9000110.3K196 N200 T201K196-N198 PolarHBondContact O-N 2.92Å; N198-N200 PolarHBondContact O-N 3.14Å; N198-N200 VanDerWaalsContact O-N 3.09Å; N198-T201 HydrophobicContact CB-CG2 4.25Å; N198-T201 PolarHBondContact O-N 2.9Å; N198-T201 PolarHBondContact O-OG1 2.94Å
199P70.2Confident57.4Low128 Ų128141.8 Ų141.883%0.83175%0.753SS**THydrogen-bonded Turntrans-62-22.2-178.426.4-34.5000112.7T201P199-T201 VanDerWaalsContact C-N 3.25Å; P199-T201 PolarHBondContact O-N 3.35Å
200N56.4Low56.8Low136 Ų136136.6 Ų136.673%0.72774%0.74SS**THydrogen-bonded Turntrans-69.6-15.6176.8-3565.7000113.6N198 Q202N198-N200 PolarHBondContact O-N 3.14Å; N198-N200 VanDerWaalsContact O-N 3.09Å; N200-Q202 PolarHBondContact O-N 2.91Å
201T57.2Low55.6Low59 Ų59140.5 Ų140.536%0.36275%0.747SS.*  trans-83.477.4-174.549.40000112.1R197 N198 P199 L203R197-T201 VanDerWaalsContact CZ-O 3.22Å; R197-T201 PolarHBondContact NH1-O 3.33Å; R197-T201 PolarHBondContact NH1-OG1 3.16Å; R197-T201 PolarHBondContact NH2-O 2.95Å; N198-T201 HydrophobicContact CB-CG2 4.25Å; N198-T201 PolarHBondContact O-N 2.9Å; N198-T201 PolarHBondContact O-OG1 2.94Å; P199-T201 VanDerWaalsContact C-N 3.25Å; P199-T201 PolarHBondContact O-N 3.35Å; T201-L203 PolarHBondContact O-N 3.42Å; T201-L203 VanDerWaalsContact O-N 3.1Å
202Q56.3Low54.5Low185 Ų185142.8 Ų142.886%0.86475%0.752SS**  trans-58.5115.3163.2-63.1-166.323.100108.8N200N200-Q202 PolarHBondContact O-N 2.91Å
203L52Low53Low116 Ų116146 Ų14661%0.60775%0.754SS**  trans-99.8125.4163.2-70.6172.1000105.3T201 T205T201-L203 PolarHBondContact O-N 3.42Å; T201-L203 VanDerWaalsContact O-N 3.1Å; L203-T205 VanDerWaalsContact C-N 3.27Å; L203-T205 HydrophobicContact CB-CG2 4.43Å; L203-T205 PolarHBondContact O-N 3.33Å
204S46.5Very low51.3Low118 Ų118148 Ų14883%0.82575%0.75SS**  trans-71.984.3175.4-570000109.7S206S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.47Å
205T43.8Very low49.7Very low135 Ų135146.5 Ų146.583%0.82875%0.745SS**  trans-79.874.6175.750.80000110.6L203L203-T205 VanDerWaalsContact C-N 3.27Å; L203-T205 HydrophobicContact CB-CG2 4.43Å; L203-T205 PolarHBondContact O-N 3.33Å
206S44.3Very low48Very low107 Ų107143.8 Ų143.875%0.74874%0.741SS**  trans-99.8135.2158.752.60000108.5S204S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.47Å
207F39.9Very low46.4Very low167 Ų167140 Ų14073%0.73274%0.737SS**SBendcis-161.1120.41.9159.6-86.9000107.9
208D40.5Very low44.6Very low151 Ų151142.5 Ų142.581%0.80775%0.746SS**SBendtrans-169.268.4149.9-168.118.9000110.9
209E41.8Very low43Very low190 Ų190146.3 Ų146.389%0.88875%0.753SS**  trans-153.642.2173.5-143168.2-151.700112.4
210T40.5Very low41.1Very low106 Ų106146.2 Ų146.265%0.6575%0.75SS**  trans-137.863179.7-43.70000113.5
211Y37.2Very low39.8Very low228 Ų228145 Ų14589%0.89475%0.752SS**  trans-116.869.8153.4-145.6-78.5000111.1
212I41.4Very low38.9Very low151 Ų151150.1 Ų150.177%0.77478%0.776SS**SBendtrans-164103152.1-94140.6000109.4
213K34Very low38Very low187 Ų187147.1 Ų147.181%0.81377%0.773SS**  trans28.3104.4131.7-175.5170.2176.8-176.50117.1
214K32Very low37.1Very low166 Ų166151.7 Ų151.772%0.72278%0.782SS**  52.4127.272.5-57.2-94179.9175.10112.4
215H32Very low36.3Very low164 Ų164152 Ų15276%0.75977%0.774SS**  cis-165.513314.5-113.7-60.1000112.2
216G34.7Very low35.7Very low71 Ų71150 Ų15073%0.73277%0.766SS**  trans66.2-173.1148.700000119.9
217P37.9Very low35Very low119 Ų119150.6 Ų150.677%0.77377%0.77SS**  cis-137.2164.91.241.6-25.3000118.1
218R33.2Very low34.8Very low206 Ų206150 Ų15078%0.77777%0.774SS**  trans69.8156153.3-91.3177.2172.9-179.1-0.4118.1
219R31.9Very low34.4Very low182 Ų182148 Ų14869%0.68777%0.772SS**  cis-139.5161.58.1-99.9-63.4-174.2165.15.3110.8
220T29Very low33.9Very low127 Ų127146.6 Ų146.678%0.77977%0.765SS**  trans60143154.143.50000119.9
221S30.5Very low33.5Very low110 Ų110150.2 Ų150.277%0.76978%0.777SS**  cis-159.2156.5-4.338.60000112.4
222L36.7Very low33.1Very low166 Ų166142.9 Ų142.987%0.86977%0.77SS**  trans-68.4161.7165.2-68.2172.1000110.6
223P38.7Very low32.6Very low122 Ų122141.5 Ų141.579%0.79277%0.774SS**  cis-128-170.94119.66.2000114.2
224R32.8Very low33.1Very low213 Ų213138.8 Ų138.880%0.80478%0.775SS**  cis175.9171.6-32.4-167.3-174.5-157.5-161.59.2105.8
225D29Very low33.2Very low123 Ų123136 Ų13666%0.65878%0.784SS**  trans72.2160160.5-65.9-56.9000117.8
226S31.9Very low33.2Very low95 Ų95131.7 Ų131.766%0.66478%0.784SS**  cis-169.7151.6-34.5-101.40000107.6
227S30.3Very low33Very low118 Ų118135.5 Ų135.583%0.82579%0.787SS**  cis-157.2-171.2-5-129.20000112.3
228L35.7Very low33.3Very low156 Ų156135.5 Ų135.582%0.81779%0.787SS**  trans-79.3136.8178.6174.692.5000114.5
229S30.6Very low33.6Very low109 Ų109133.8 Ų133.876%0.76279%0.788SS**  trans-169.3129.6153.254.50000109.5
230Q31.2Very low34.3Very low159 Ų159133.6 Ų133.674%0.74380%0.795SS**  cis113.8114.729-101.2-157.5-1000111.6
231M32Very low35.1Very low183 Ų183136.9 Ų136.990%0.90180%0.802SS**  trans51.7149.4155.776.3174.1177.600121.9
232G29.2Very low35.7Very low73 Ų73137.3 Ų137.375%0.75379%0.791SS**  trans159.179.6168.500000114.3
233S31.5Very low36.7Very low122 Ų122135.3 Ų135.385%0.85379%0.788SS**  trans-143.2130.2166.3-54.20000110.3
234P44.3Very low37.3Very low130 Ų130135.3 Ų135.384%0.84479%0.786SS**  trans-124.8169.7134.136.6-29.2000111.2
235A34.8Very low37.8Very low108 Ų108134.2 Ų134.289%0.89378%0.783SS**  trans-79.4157.1-174.300000113.8
236G31.3Very low39.1Very low74 Ų74135.6 Ų135.676%0.76379%0.789SS**  trans-148.6150168.600000109.5
237D29.8Very low40.9Very low150 Ų150138.9 Ų138.980%0.80279%0.794SS**  trans-80.7142-169.6-160.723.4000112.8
238P44.2Very low42.1Very low119 Ų119141.4 Ų141.477%0.77380%0.795SS**  trans-111.583.5177.838.3-27.5000113.3
239E40.9Very low43Very low170 Ų170138.3 Ų138.379%0.79478%0.782SS**  trans-86.7137.7162.4-80.9-103.6112.400111.1
240E44.9Very low43.6Very low179 Ų179136.5 Ų136.584%0.83678%0.781SS**  trans28.4107.6154.2-162.9166.4-110.400120.5
241E47.8Very low44Very low196 Ų196135.7 Ų135.792%0.91678%0.781SS**  trans-135.6108.7143.3-169168.3-161.500110.4
242E41.5Very low44.8Very low118 Ų118134.8 Ų134.855%0.55178%0.778SS**  trans-79.6131.8-177.5-175.3-178.8-133.900111.7V244 Y245E242-V244 VanDerWaalsContact C-N 3.35Å; E242-V244 PolarHBondContact O-N 2.9Å; E242-Y245 WeakPolarHBondContact OE1-CE2 3.31Å
243P58.8Low45.4Very low124 Ų124137.2 Ų137.281%0.80577%0.774SS**  trans-78.975.4-173.732.3-36.8000114.1
244V50.1Low46Very low123 Ų123140.4 Ų140.475%0.74577%0.767SS**  trans42.992.8153.7-171.40000116.1E242 I246E242-V244 VanDerWaalsContact C-N 3.35Å; E242-V244 PolarHBondContact O-N 2.9Å; V244-I246 PolarHBondContact O-N 2.85Å
245Y43.6Very low45.6Very low190 Ų190140.9 Ų140.975%0.74576%0.762SS**  trans-62133.3161.6-70.4-79.4000111.6E242 E247E242-Y245 WeakPolarHBondContact OE1-CE2 3.31Å; Y245-E247 PolarHBondContact O-N 3.05Å
246I57.1Low45.7Very low152 Ų152143.5 Ų143.578%0.77975%0.754SS**  trans-84.8100.4173-61.1178.7000109.2V244 M248V244-I246 PolarHBondContact O-N 2.85Å; I246-M248 HydrophobicContact CG2-CG 4.36Å; I246-M248 PolarHBondContact O-N 2.93Å; I246-M248 VanDerWaalsContact O-N 3.15Å
247E70.4Confident45.8Very low163 Ų163150.6 Ų150.676%0.76276%0.758SS**  trans-62.5106.8173.5-177.6-176.5-171.100111.4Y245 V249Y245-E247 PolarHBondContact O-N 3.05Å; E247-V249 HydrophobicContact CG-CB 4.47Å; E247-V249 HydrophobicContact CG-CG2 3.72Å; E247-V249 WeakPolarHBondContact OE1-CG2 3.06Å
248M55Low46.1Very low172 Ų172150.8 Ų150.885%0.84775%0.751SS**  trans-101.969.1170.6-68.9-141.5-54.800111.9I246 G250I246-M248 HydrophobicContact CG2-CG 4.36Å; I246-M248 PolarHBondContact O-N 2.93Å; I246-M248 VanDerWaalsContact O-N 3.15Å; M248-G250 PolarHBondContact O-N 2.69Å
249V54.1Low45.5Very low90 Ų90151.7 Ų151.755%0.54575%0.745SS.*  trans-69.2100173166.40000111.2E247 N251E247-V249 HydrophobicContact CG-CB 4.47Å; E247-V249 HydrophobicContact CG-CG2 3.72Å; E247-V249 WeakPolarHBondContact OE1-CG2 3.06Å; V249-N251 HydrophobicContact CG1-CB 4.17Å
250G43.4Very low45.4Very low72 Ų72150.3 Ų150.374%0.74274%0.743SS**  trans-98.767.2169.900000112.4M248 I252M248-G250 PolarHBondContact O-N 2.69Å; G250-I252 PolarHBondContact O-N 3.19Å
251N40.2Very low45.1Very low141 Ų141148.8 Ų148.875%0.75474%0.741SS**  trans-67.8100.7-174.4-97.3-18.3000114.2V249V249-N251 HydrophobicContact CG1-CB 4.17Å
252I48Very low45.4Very low164 Ų164146.7 Ų146.784%0.84174%0.736SS**  trans-140.164.1149.350.2162.2000113.1G250G250-I252 PolarHBondContact O-N 3.19Å
253L41Very low45.7Very low125 Ų125150.3 Ų150.365%0.65475%0.753SS**  43.992.9127.8-16276000119.6
254R45.8Very low45.1Very low188 Ų188150 Ų15071%0.70975%0.753SS**  trans65.2131.8149.7-52.8-176.5-67.2-132.23.1116.6
255D34.8Very low45.1Very low140 Ų140153.6 Ų153.675%0.74976%0.763SS**  -152.8146.470.4-88.9-33.9000115.9
256F37.3Very low45.7Very low164 Ų164149 Ų14972%0.71976%0.763SS**  trans-28.9127.5173.5-46.2-98.5000119.7
257R33.8Very low45.7Very low222 Ų222148.1 Ų148.184%0.83877%0.765SS**  164.4130.193.6-86.4-147.5-61.4-955.2115.9
258K34.8Very low44.9Very low154 Ų154151.5 Ų151.567%0.6777%0.772SS**  trans73.2146.4131.1-163.4172.1-174.9-88.70121.1
259E33.2Very low45.1Very low138 Ų138152.7 Ų152.765%0.64578%0.776SS**  trans84.6142.3161.7-119.4100.8-126.100119.3
260D37.6Very low45.6Very low141 Ų141157.1 Ų157.175%0.75479%0.791SS**  trans19.6124.7169-57.9-172.6000119.7
261D39.3Very low45.8Very low147 Ų147161.4 Ų161.479%0.78679%0.793SS**  cis83.3107.833-146.845.3000114.6
262D54.1Low46.5Very low152 Ų152163.8 Ų163.881%0.81380%0.797SS**  trans52.556.2144.5-12131.4000122.5
263Q47.4Very low46.3Very low194 Ų194164.8 Ų164.891%0.90779%0.792SS**  trans-139.470.6161.4-68.5-163.66.600114.9
264S46Very low46.2Very low117 Ų117164.9 Ų164.982%0.81880%0.799SS**  trans-144.77.9162.668.60000117.8
265E50.8Low45.9Very low200 Ų200162.9 Ų162.994%0.93580%0.801SS**  trans-101.980.4168.9-62.8-156.7159.700111.1
266A55.6Low46Very low92 Ų92165.6 Ų165.676%0.7681%0.807SS**  trans-138.834.7-170.900000114.7
267V56.5Low45.9Very low135 Ų135165.1 Ų165.182%0.81881%0.812SS**SBendtrans-140.526.6174.2-1520000113.3
268Y54.3Low46.1Very low233 Ų233160.9 Ų160.991%0.91481%0.806SS**SBendtrans-143.124.4177.1-101.2-71.2000116.1
269E58.7Low46.3Very low197 Ų197160.6 Ų160.692%0.92181%0.811SS**  trans-110.143.1175.8-73.2-149.9115.700114.7
270E64.2Low46.5Very low183 Ų183157.1 Ų157.186%0.85581%0.812SS**  trans-136.944.2173.2-150.4-174.6-175.300114.7
271M49.2Very low46.4Very low162 Ų162158.4 Ų158.480%0.79881%0.814SS**  trans-13350.3163.9-71.7-59.6-58.600111.3Y273M271-Y273 PolarHBondContact O-N 2.79Å
272K53.1Low45.9Very low192 Ų192159.2 Ų159.284%0.83582%0.818SS**  trans-78.3109.8177.7-175.5169.7-177.9171.20110.8
273Y43.6Very low44.8Very low185 Ų185158.2 Ų158.273%0.72582%0.817SS**  trans-62.5148.4169.5-72.1-95.3000111.1M271 I275M271-Y273 PolarHBondContact O-N 2.79Å; Y273-I275 PolarHBondContact O-N 2.86Å
274P40.7Very low44Very low126 Ų126158.1 Ų158.182%0.81881%0.814SS**  trans-67.296.3171.2-18.932.7000111.1F276P274-F276 PolarHBondContact O-N 3.28Å
275I37.8Very low43.1Very low146 Ų146157.8 Ų157.875%0.74981%0.81SS**  trans-83102.8164.8-46176.3000106.8Y273Y273-I275 PolarHBondContact O-N 2.86Å
276F37.2Very low42Very low197 Ų197155.4 Ų155.486%0.86480%0.804SS**  trans-87.9114.6153.9-101.5-89.6000106.6P274P274-F276 PolarHBondContact O-N 3.28Å
277D35.7Very low40.8Very low154 Ų154159.9 Ų159.982%0.82481%0.807SS**  trans-154.8151.5143.1-115.9-31.7000112.2
278D39.2Very low39.5Very low133 Ų133159 Ų15971%0.71180%0.798SS**  trans17.6114.2167.7-159.312.5000120.8G280D278-G280 PolarHBondContact OD1-N 2.86Å
279L37.3Very low38.3Very low148 Ų148155.3 Ų155.378%0.77579%0.788SS**  trans-142.279.7131-159.678.2000110.6Q281L279-Q281 PolarHBondContact O-N 3.49Å
280G37.1Very low37Very low66 Ų66154 Ų15468%0.6878%0.782SS**PPolyproline II helixtrans-57.9116.7167.300000111D278D278-G280 PolarHBondContact OD1-N 2.86Å
281Q35.6Very low35.2Very low168 Ų168150.3 Ų150.379%0.78578%0.776SS**PPolyproline II helixtrans-102.5125.5166.3-71.5-165.3-11.500109.6L279L279-Q281 PolarHBondContact O-N 3.49Å
282D28.9Very low34.4Very low164 Ų164149.1 Ų149.188%0.87778%0.782SS**PPolyproline II helixtrans-71.3148.8-167.9-141.2-25.3000112.8K284D282-K284 PolarHBondContact O-N 3.39Å
283T32.3Very low33.2Very low130 Ų130144.1 Ų144.180%0.79877%0.771SS**PPolyproline II helixtrans-85.2116.8-167.250.60000113.8
284K29.5Very low32.5Very low193 Ų193141.3 Ų141.384%0.83978%0.779SS**  trans-164.1143.6157.9-118.7179179.7176.40109.9D282D282-K284 PolarHBondContact O-N 3.39Å
285C27.7Very low32.2Very low109 Ų109143.1 Ų143.174%0.73678%0.777SS**  cis-134.7172.27.9-50.20000111.5
286D28.5Very low31.6Very low151 Ų151141.7 Ų141.781%0.80778%0.779SS**  trans-66.4149.4-179.1-43.1-106.1000115.3
287F29.2Very low31.3Very low186 Ų186137 Ų13782%0.81678%0.776SS**  -159.5129.8126.7-141.2-107.3000114.1
288D29Very low31.1Very low116 Ų116135.9 Ų135.962%0.6278%0.775SS**  trans26139159.9-68.5-9.3000125.2
289H29Very low31.2Very low156 Ų156135 Ų13572%0.72278%0.777SS**  trans5.5136.4139.6-72.4-64.9000118.5
290H31.6Very low30.8Very low168 Ų168133.3 Ų133.378%0.77877%0.772SS**  -169156.471.9-89.5-72000114.2
291S27.7Very low30.6Very low106 Ų106136.3 Ų136.374%0.74178%0.777SS**  trans8.1125.8153.4-51.50000120.8
292C31.8Very low31Very low137 Ų137134 Ų13493%0.92678%0.777SS**  -162.6146.4102.8-116.20000113.7
293S27Very low31Very low87 Ų87132.7 Ų132.761%0.60877%0.77SS**  trans-100.2140.4179.7143.60000111.1
294S30.4Very low31.4Very low127 Ų127132.2 Ų132.289%0.88876%0.761SS**  trans-136.6127.6147-91.20000110.5
295Q32.9Very low31.5Very low163 Ų163130.7 Ų130.776%0.76276%0.763SS**  trans-86.3173.8176.1-61.6162.931.700108.1
296C26.9Very low31.8Very low117 Ų117134 Ų13479%0.79177%0.765SS**  cis-156.3178.835.3-62.40000113.2
297A29.8Very low32.1Very low97 Ų97131.6 Ų131.680%0.80277%0.766SS**  trans84.274.3151.300000119.8
298T31.7Very low32.4Very low131 Ų131132.5 Ų132.580%0.80477%0.769SS**  trans-58.4153.4137.214.40000111.2
299P40.7Very low32.4Very low116 Ų116131.4 Ų131.475%0.75378%0.776SS**  -129.2137.279.95.618.7000114.4
300T29.4Very low32.4Very low112 Ų112129.8 Ų129.869%0.68778%0.782SS**  90.699.783.8-570000112.2
301V32.5Very low32.9Very low129 Ų129127.8 Ų127.878%0.78278%0.782SS**  38.3158.398.6-88.60000117.2
302P45.1Very low33.6Very low119 Ų119128.6 Ų128.677%0.77379%0.785SS**  cis-113.7165.79.5720000114.6
303D28.8Very low33.7Very low137 Ų137127.6 Ų127.673%0.73378%0.778SS**  66.5103.866.4-135.442.5000111.5
304L40.6Very low34.3Very low119 Ų119129.2 Ų129.262%0.62379%0.786SS**  85.2130.472.9-179.765.1000112.7F306L304-F306 HydrophobicContact CD2-CD2 4.42Å; L304-F306 HydrophobicContact CD2-CE2 4.09Å; L304-F306 HydrophobicContact CG-CD2 4.45Å
305D31.6Very low34.9Very low161 Ų161128.2 Ų128.286%0.86178%0.777SS**  trans-149.7154.3163.1-128.4-35.5000112.2
306F33.5Very low35.1Very low180 Ų180130.1 Ų130.179%0.78978%0.782SS**  trans-112.5146.6-156.1-108.7-92.8000115.8L304L304-F306 HydrophobicContact CD2-CD2 4.42Å; L304-F306 HydrophobicContact CD2-CE2 4.09Å; L304-F306 HydrophobicContact CG-CD2 4.45Å
307A34.6Very low35.6Very low99 Ų99128.1 Ų128.182%0.81878%0.781SS**  trans-144.4133.3159.900000113.9
308K35.3Very low36.2Very low206 Ų206131.1 Ų131.190%0.89678%0.783SS**  trans-71.6163178.8-85.7175.8176172.30113
309A29.8Very low36.6Very low93 Ų93133 Ų13377%0.76979%0.788SS**  cis-169.4-179.9-6.200000111.3
310S29.8Very low36.6Very low121 Ų121132.2 Ų132.285%0.84678%0.784SS**  trans110.2143.9166.3-154.90000116.1
311V40.1Very low37.7Very low126 Ų126133.6 Ų133.676%0.76479%0.787SS**  trans-155.5135.9-158.6166.60000106.2
312P43Very low38.9Very low124 Ų124134.1 Ų134.181%0.80578%0.784SS**  -142.5167.66234.3-12.3000119.3
313C34.1Very low39.9Very low116 Ų116132.5 Ų132.578%0.78477%0.773SS**  trans-58.6168.4172.8-70.30000114.7
314P39.3Very low41.5Very low120 Ų120130.3 Ų130.378%0.77977%0.766SS**  cis-134.9-153.327.942.8-20.5000114.4
315P43.5Very low42.5Very low106 Ų106130.1 Ų130.169%0.68877%0.773SS**  -126.4178.4-95.839.9-22.6000115.5
316K37.4Very low44Very low203 Ų203129.8 Ų129.888%0.88376%0.764SS**  trans7991166.9-55.3178.4-178.5-179.20118
317G36.9Very low45.2Very low75 Ų75125.4 Ų125.477%0.77375%0.753SS**  70.3103.8122.300000120.2
318L43.2Very low46.3Very low161 Ų161126 Ų12684%0.84374%0.743SS**  trans-136107.4156.7-74.4177.6000110.5
319L40Very low47.4Very low170 Ų170122.3 Ų122.389%0.8973%0.732SS**  trans-167.8110.4164.7-136.9125.3000107.9
320C39.8Very low48.8Very low99 Ų99126.2 Ų126.267%0.66974%0.739SS**  cis-124131.9-4.2-64.60000110.2I322C320-I322 HydrophobicContact CB-CG1 4.41Å; C320-I322 PolarHBondContact O-N 3.23Å
321D52.3Low50Low141 Ų141124.1 Ų124.175%0.75473%0.725SS**  trans-79.7112.4158.1-176.920.7000107.7P323D321-P323 WeakPolarHBondContact O-CD 3.41Å
322I58.8Low50.7Low140 Ų140125.9 Ų125.972%0.71872%0.724SS**  trans-90.9109.3178.1-60177.5000106.7C320C320-I322 HydrophobicContact CB-CG1 4.41Å; C320-I322 PolarHBondContact O-N 3.23Å
323P65.8Low51.7Low85 Ų85130.5 Ų130.555%0.55273%0.725SS**  trans-60.8138.5-179.925.6-33.9000109.7D321 P327D321-P323 WeakPolarHBondContact O-CD 3.41Å; P323-P327 HydrophobicContact CB-CG 4.48Å
324P61.2Low53Low91 Ų91129.8 Ų129.859%0.59172%0.719SS**  trans-58.2145.4179.724.9-34.4000109.8F326 P327P324-F326 PolarHBondContact O-N 3.03Å; P324-P327 WeakPolarHBondContact O-CD 3.48Å; P324-P327 VanDerWaalsContact O-CG 3.31Å; P324-P327 WeakPolarHBondContact O-CG 3.4Å
325P61.6Low54.1Low116 Ų116130 Ų13075%0.75372%0.721SS**SBendtrans-61.5-11.7-162.619.9-32.7000116.1
326F64.6Low55Low154 Ų154131.9 Ų131.968%0.67572%0.724SS**  trans-139.982.7173-61.3-74.2000112.6P324 N328 L329P324-F326 PolarHBondContact O-N 3.03Å; F326-N328 VanDerWaalsContact C-N 3.28Å; F326-N328 PolarHBondContact O-N 3.38Å; F326-L329 HydrophobicContact CB-CD1 4.03Å; F326-L329 HydrophobicContact CB-CG 4.25Å; F326-L329 HydrophobicContact CD1-CD1 3.47Å; F326-L329 VanDerWaalsContact CD1-CD1 3.47Å; F326-L329 HydrophobicContact CD1-CG 4.12Å; F326-L329 HydrophobicContact CE1-CD1 4.12Å; F326-L329 HydrophobicContact CG-CD1 3.84Å; F326-L329 HydrophobicContact CG-CG 4.5Å
327P58.8Low55.9Low87 Ų87129.4 Ų129.457%0.56572%0.72SS**SBendtrans-73.7-12.7179.9-17.832.8000114.8P323 P324P323-P327 HydrophobicContact CB-CG 4.48Å; P324-P327 WeakPolarHBondContact O-CD 3.48Å; P324-P327 VanDerWaalsContact O-CG 3.31Å; P324-P327 WeakPolarHBondContact O-CG 3.4Å
328N57.6Low57.1Low112 Ų112132.1 Ų132.160%0.59972%0.721SS**SBendtrans-143.531.7-160.1-95.8-54.9000116.1F326 S331F326-N328 VanDerWaalsContact C-N 3.28Å; F326-N328 PolarHBondContact O-N 3.38Å; N328-S331 PolarHBondContact OD1-OG 2.93Å
329L57.8Low58.1Low128 Ų128132.4 Ų132.467%0.6772%0.716SS**SBendtrans-93.86.3177.3-69.6-175.1000115.6F326F326-L329 HydrophobicContact CB-CD1 4.03Å; F326-L329 HydrophobicContact CB-CG 4.25Å; F326-L329 HydrophobicContact CD1-CD1 3.47Å; F326-L329 VanDerWaalsContact CD1-CD1 3.47Å; F326-L329 HydrophobicContact CD1-CG 4.12Å; F326-L329 HydrophobicContact CE1-CD1 4.12Å; F326-L329 HydrophobicContact CG-CD1 3.84Å; F326-L329 HydrophobicContact CG-CG 4.5Å
330L58.7Low59Low176 Ų176129.4 Ų129.492%0.92171%0.706SS**SBendtrans-122.7-2.7178.9-67.1177.1000114.9
331S55.7Low59.4Low77 Ų77130.7 Ų130.754%0.53871%0.714SS.*SBendtrans-81.9-27.6174.542.70000112.8N328 R333N328-S331 PolarHBondContact OD1-OG 2.93Å; S331-R333 PolarHBondContact O-N 3.42Å
332H54.3Low59.2Low162 Ų162128.3 Ų128.375%0.7571%0.713SS**SBendtrans-88.293.8174.2-71.6-75.8000111.7
333R64.3Low58.7Low222 Ų222127.9 Ų127.984%0.83872%0.72SS**PPolyproline II helixtrans-54.6128.8165.8-161.5-178.8-150.1146.54.9109S331S331-R333 PolarHBondContact O-N 3.42Å
334P62.1Low57.6Low101 Ų101130.6 Ų130.666%0.65673%0.734SS**PPolyproline II helixtrans-61.2142.3-18024.9-34000110.3L336P334-L336 PolarHBondContact O-N 3.45Å
335P62.6Low56.5Low125 Ų125134.5 Ų134.581%0.81274%0.744SS**PPolyproline II helixtrans-62121.5178.525.7-33.3000109.4L337P335-L337 PolarHBondContact O-N 2.9Å
336L62.1Low55.3Low144 Ų144133.3 Ų133.375%0.75474%0.738SS**PPolyproline II helixtrans-63.7129.9175.4-64.2175000108.9P334 V338P334-L336 PolarHBondContact O-N 3.45Å; L336-V338 VanDerWaalsContact C-N 3.3Å; L336-V338 PolarHBondContact O-N 3.35Å
337L56Low54Low152 Ų152131.4 Ų131.480%0.79674%0.744SS**  trans-68.389.7171.7-72.8172.1000109.4P335 F339P335-L337 PolarHBondContact O-N 2.9Å; L337-F339 HydrophobicContact CB-CE2 4.24Å; L337-F339 PolarHBondContact O-N 2.92Å; L337-F339 VanDerWaalsContact O-N 3.08Å
338V62.9Low53.8Low131 Ų131132.6 Ų132.679%0.79475%0.751SS**  trans-71.797.8172.11780000108.3L336L336-V338 VanDerWaalsContact C-N 3.3Å; L336-V338 PolarHBondContact O-N 3.35Å
339F62.8Low52.4Low167 Ų167134.5 Ų134.573%0.73276%0.761SS**PPolyproline II helixtrans-70.3137.5163.3-73.2-86.7000109.5L337L337-F339 HydrophobicContact CB-CE2 4.24Å; L337-F339 PolarHBondContact O-N 2.92Å; L337-F339 VanDerWaalsContact O-N 3.08Å
340P59.3Low51.7Low107 Ų107133.8 Ų133.870%0.69577%0.767SS**PPolyproline II helixtrans-66.6148.4176.428.6-34.7000111A342P340-A342 PolarHBondContact O-N 3.49Å
341P49Very low51.2Low127 Ų127133.1 Ų133.183%0.82577%0.765SS**PPolyproline II helixtrans-71.8117.7-176.628.5-34.2000111.7
342A47.8Very low50.5Low90 Ų90138.4 Ų138.474%0.74478%0.781SS**PPolyproline II helixtrans-73.5134.7163.100000109.7P340P340-A342 PolarHBondContact O-N 3.49Å
343P47.5Very low50Low131 Ų131135.7 Ų135.785%0.85178%0.78SS**PPolyproline II helixtrans-62139.8179.7-25.135000113.3
344V42Very low49.1Very low142 Ų142130.9 Ų130.986%0.86178%0.778SS**PPolyproline II helixtrans-77139.9167.5-73.40000110.6
345H40.2Very low48.4Very low173 Ų173133.5 Ų133.580%0.80179%0.785SS**  trans-140.5144155.3-155.1-100.9000110.6
346C34.9Very low47.9Very low92 Ų92133.4 Ų133.462%0.62278%0.782SS**  trans1.7119.6-179.2-64.50000119.1
347S38.6Very low47.2Very low114 Ų114132.3 Ų132.380%0.79778%0.784SS**  93.5149.958.5-74.30000112.7
348P52.8Low46.7Very low111 Ų111132.1 Ų132.172%0.72178%0.783SS**  trans-97.2179.2-159.740.2-38.1000113.3
349N30Very low45.7Very low152 Ų152134.3 Ų134.381%0.81379%0.785SS**  -167164.8128.8-97.5-16.1000112.4
350S41.5Very low44.5Very low113 Ų113131.4 Ų131.479%0.7978%0.78SS**  trans63.398.6161.4-57.40000119.1
351D49.8Very low43.5Very low163 Ų163132.2 Ų132.287%0.87278%0.783SS**  trans-66.6124.6142.3171.425.6000109.7
352E39.7Very low43.3Very low187 Ų187135 Ų13587%0.87478%0.783SS**  trans-163.6158138.9-164.5146.7100.700110.9
353S43.3Very low43.3Very low105 Ų105138.2 Ų138.273%0.73479%0.787SS**  trans-79.3165.3178.8-123.50000112.6
354P46.6Very low43.2Very low122 Ų122138 Ų13879%0.79279%0.785SS**  -154-165.365.442.9-20.9000116.9
355L47.5Very low42.9Very low156 Ų156137.3 Ų137.382%0.81778%0.781SS**  trans-68.5142.6-179.2-66.2157.5000114.7
356T51.1Low43.4Very low122 Ų122137.4 Ų137.475%0.74879%0.786SS**  trans30.9133.2143.463.90000120.2
357P48.8Very low43.4Very low121 Ų121141.7 Ų141.779%0.78680%0.797SS**  -149.1158.487.839.1-22.4000118.1
358L45.6Very low43.2Very low148 Ų148143.4 Ų143.478%0.77580%0.797SS**  trans27.4130.6131.9-150.774.3000120.2
359E41.1Very low42.2Very low178 Ų178144.6 Ų144.683%0.83280%0.802SS**  -177.2170110.1-98-171.6-165.100116.5
360V38.3Very low42.1Very low106 Ų106142.2 Ų142.264%0.64280%0.797SS**  trans-100.4170.7-142-1420000114.9
361T38.5Very low41.5Very low123 Ų123146.8 Ų146.876%0.75580%0.799SS**  trans71.8156.8153.967.70000118.5
362K43.5Very low40.5Very low186 Ų186145.3 Ų145.381%0.80979%0.788SS**  cis-150.8146.7-6-135.5170.8177.7178.70110.5
363L47.7Very low40Very low158 Ų158145.5 Ų145.583%0.82779%0.786SS**  trans-109.1140.1155.3-77.2174.8000109.2
364P45.4Very low39.4Very low125 Ų125148.9 Ų148.981%0.81279%0.791SS**  trans-87.9115.8161-0.219.8000109.9
365V36.1Very low39.4Very low128 Ų128148.3 Ų148.378%0.77679%0.787SS**  trans-104.5141.1156.1175.80000106.6
366L50.1Low38.4Very low175 Ų175146 Ų14692%0.91679%0.79SS**  trans-125.1154.8166.8-83.9173.9000110.4
367E35.7Very low37.2Very low183 Ų183143.8 Ų143.886%0.85579%0.791SS**  trans-113.3170.4-158.7-159.5165.1-16800112
368N34.3Very low36.3Very low149 Ų149143 Ų14380%0.79780%0.795SS**  trans-80.8163.2-167.5-52.6-83.6000113.7
369V32Very low35.4Very low137 Ų137141.3 Ų141.383%0.8380%0.796SS**  177149.4122.2147.20000113.8
370S28.7Very low35.5Very low101 Ų101138.7 Ų138.771%0.70679%0.794SS**  trans61.4102.116065.40000123.9
371Y27.5Very low34.9Very low210 Ų210138.5 Ų138.582%0.82480%0.798SS**  68.6126.3110.6-116.8-128.4000124.4
372M29.4Very low34.6Very low132 Ų132137.6 Ų137.665%0.6580%0.802SS**  trans75.4114.4146.4-70.4-68166.300124
373K30Very low34.4Very low190 Ų190136.1 Ų136.183%0.82680%0.802SS**  49.1127.7116.4-154-174.7178.5-176.60120.9
374Q29.1Very low34.3Very low177 Ų177134.2 Ų134.283%0.82780%0.8SS**  trans-51.9166.4162.5-80.7-167.5-15.400115
375P47.3Very low33.4Very low110 Ų110133.1 Ų133.171%0.71480%0.795SS**  cis-139.118018.443.3-26000117.9
376A26.2Very low33.2Very low107 Ų107135.1 Ų135.188%0.88480%0.796SS**  trans68.2138.1150.500000120.9
377G26.4Very low32.1Very low75 Ų75132.2 Ų132.277%0.77379%0.785SS**  trans145.6107.8162.800000116.3
378A29.6Very low32.4Very low105 Ų105129.2 Ų129.287%0.86878%0.781SS**  trans36.9130.6152.100000122.8
379S26.3Very low32.1Very low112 Ų112126.5 Ų126.578%0.78377%0.774SS**  trans-69.7163.3152.8-41.40000111.1
380P42.8Very low32Very low124 Ų124128.2 Ų128.281%0.80577%0.772SS**  -147.5146.886.837.3-20000117.9
381S27.4Very low32.1Very low102 Ų102127.2 Ų127.271%0.71377%0.77SS**  trans11.1129.8147.2-1630000122.4
382A32.3Very low32.2Very low103 Ų103126.6 Ų126.685%0.85177%0.772SS**  trans-144.3154.4133.200000110
383L37.3Very low32.2Very low155 Ų155127.4 Ų127.481%0.81278%0.778SS**  trans-124.2176.6-168.4-82145.4000111.4
384P46.9Very low32.1Very low119 Ų119125.5 Ų125.577%0.77377%0.772SS**  cis-108.8-157.1-1243-31.3000109.9
385S27Very low32.2Very low101 Ų101124.1 Ų124.171%0.70676%0.763SS**  cis-153.3-175.92.7640000107.9
386H30.6Very low31.4Very low171 Ų171124.9 Ų124.979%0.79276%0.757SS**  cis-148.5-170.62.1-156.1-95.8000109.1
387V28.1Very low31.8Very low113 Ų113127.5 Ų127.569%0.68575%0.751SS**  trans-144.7170.6177.9-121.50000110.6
388P42.3Very low31.8Very low120 Ų120128.4 Ų128.478%0.77975%0.752SS**  cis-113.1155.737.89.116.3000114.5
389S25.9Very low31.7Very low93 Ų93128 Ų12865%0.6575%0.748SS**  74.6136.865-1360000113.3
390H30.7Very low31.8Very low172 Ų172127 Ų12780%0.79675%0.747SS**  cis-153.5160.728.8-145.5-81.9000113.3
391A30.7Very low31.4Very low80 Ų80129.4 Ų129.466%0.66175%0.752SS**  trans31.3132.816300000122
392K29.1Very low31.4Very low197 Ų197127.9 Ų127.986%0.85775%0.753SS**  cis63113.148.1-80.3-162.3173.8-172.30117.3
393L31.2Very low32Very low149 Ų149129.6 Ų129.678%0.7876%0.755SS**  -171.8175110-134.570000114.1
394E27.2Very low31.7Very low150 Ų150126.7 Ų126.770%0.70175%0.753SS**  trans-17.4177.1157.3-78.8-174.4112.700121.9
395K31.5Very low30.9Very low148 Ų148126.4 Ų126.464%0.64375%0.754SS**  cis172.4138.3-27.6172.9168.3160.6-75.80108.7
396E29.6Very low31.2Very low127 Ų127126.1 Ų126.159%0.59376%0.758SS**  trans69.3139.4161.2-81.7-175.4103.100124.2
397Q34.5Very low31.3Very low161 Ų161124.4 Ų124.475%0.75276%0.759SS**  trans60.399.2139.8-63.9-163.959.600123.9
398A26Very low32.2Very low95 Ų95124.9 Ų124.979%0.78577%0.765SS**  71.2139.5104.800000124.5
399A27.9Very low31.9Very low95 Ų95123 Ų12379%0.78576%0.76SS**  trans97.7118.6140.800000122.2
400A28Very low32.5Very low93 Ų93126.1 Ų126.177%0.76977%0.768SS**  trans65.2150152.900000118.2
401L34.7Very low32.4Very low174 Ų174123 Ų12391%0.91177%0.766SS**  cis-138.4174.924.5-74.6159.6000112.8
402G28.4Very low32.5Very low70 Ų70124.1 Ų124.172%0.72277%0.769SS**  trans-90.9-154.417700000114.9
403P45.3Very low32.7Very low138 Ų138119.6 Ų119.690%0.89676%0.762SS**  cis-134.5-165.627.243-24.8000116.8
404A31Very low33.1Very low94 Ų94117.6 Ų117.678%0.77776%0.758SS**  trans-68.4-179.1-171.600000115.5
405S29.7Very low34Very low113 Ų113116.1 Ų116.179%0.7976%0.761SS**  cis-163.5143.921.5-169.30000114.6
406A33.2Very low35.2Very low96 Ų96114.5 Ų114.579%0.79377%0.766SS**  trans176.9121.213900000111.7
407T33Very low36Very low134 Ų134114.5 Ų114.582%0.82278%0.777SS**  trans-146.1-179.6174.359.10000108
408P46.3Very low36.2Very low123 Ų123112.2 Ų112.280%0.79978%0.779SS**  cis-112.9-163.1-8.643.2-28.6000110.4
409A35.5Very low36.4Very low82 Ų82114.1 Ų114.168%0.67878%0.781SS**  cis-162.1173.613.800000107.1
410L38.6Very low37Very low158 Ų158117.1 Ų117.183%0.82778%0.783SS**  cis-169.2156.7-16.6-103.2167.1000104.2
411S30Very low37.1Very low106 Ų106123 Ų12374%0.74179%0.786SS**  cis-148.7-162.54.1-162.80000109.9
412S31.7Very low36.8Very low104 Ų104124.6 Ų124.673%0.72778%0.781SS**  trans-111.7-176.6175.257.10000111
413S32.9Very low36.8Very low102 Ų102126.3 Ų126.371%0.71378%0.777SS**  cis-160.1-146.328.1-157.10000113.4
414P41Very low36Very low107 Ų107128.3 Ų128.370%0.69577%0.774SS**  -124.3-176.5-117.742.9-23.7000116.3
415P45.7Very low36.1Very low118 Ų118128 Ų12877%0.76677%0.767SS**  trans-99.9-157.3-179.940.6-35.7000114.4
416P56.6Low36.5Very low115 Ų115128.8 Ų128.875%0.74777%0.769SS**  -89.9-173-103.643.3-30.8000114.4
417P46.1Very low36.6Very low126 Ų126133.3 Ų133.382%0.81877%0.773SS**  -155.9-173.799.841.9-23.3000116.3
418S38.5Very low36.5Very low113 Ų113130.2 Ų130.279%0.7977%0.768SS**  trans-133.1147.4168.559.30000111.8
419T30Very low36Very low136 Ų136135.1 Ų135.183%0.83477%0.772SS**  trans-156159.617032.80000113.2
420L40Very low36.3Very low157 Ų157136.5 Ų136.582%0.82277%0.774SS**  trans-105.3-162.6176.6-70.3163.7000111.4
421Y31.1Very low36.4Very low216 Ų216137.7 Ų137.785%0.84777%0.773SS**  trans93.6157.1170.5-51.9-62.9000117.2
422R28.5Very low36.6Very low209 Ų209138.1 Ų138.179%0.78978%0.776SS**  cis-174152.9-41.1-155.7-170.1175.8-161.90.6109.1
423T28.7Very low36.8Very low106 Ų106140.6 Ų140.665%0.6578%0.776SS**  trans67.7165.316270.60000118.3
424Q27.8Very low36.7Very low179 Ų179141.5 Ų141.584%0.83678%0.782SS**  cis-156.5175-34.4-104.9-17237.400110
425S33.4Very low36.5Very low89 Ų89142.2 Ų142.262%0.62278%0.784SS**  trans-62.9161.8-176.3-164.70000115.6
426P38.7Very low36.2Very low128 Ų128141.6 Ų141.683%0.83178%0.783SS**  -135.7161.698.138.1-27.8000115.8
427H35.7Very low35.8Very low191 Ų191142.1 Ų142.188%0.88479%0.787SS**  trans-83.2153.2-179.3-81.6-70.3000114.7
428G29.7Very low35.1Very low69 Ų69141.1 Ų141.171%0.71178%0.782SS**  trans-17867.5166.400000115.1
429Y36.1Very low35.6Very low227 Ų227141.5 Ų141.589%0.8978%0.782SS**  trans-116.5126.5179.2-99.3-82.7000113.4
430P41.3Very low36Very low111 Ų111141.3 Ų141.372%0.72178%0.78SS**  trans-76161.916432.6-33.4000111.7S432P430-S432 PolarHBondContact O-N 3.31Å
431K40.2Very low35.9Very low183 Ų183139.2 Ų139.280%0.79678%0.779SS**  trans-92.2102.6-163.4-175.9176.7-179.71760112.8
432S34.2Very low36.4Very low115 Ų115138.5 Ų138.580%0.80479%0.786SS**  trans-105.9127.3175.3-67.20000112.1P430 S434P430-S432 PolarHBondContact O-N 3.31Å; S432-S434 PolarHBondContact O-N 3.29Å
433H36.3Very low37Very low155 Ų155131.8 Ų131.872%0.71878%0.782SS**  trans-8391.2-177.8-78.1-105.7000112T435H433-T435 PolarHBondContact O-N 2.87Å
434S30.9Very low37.6Very low121 Ų121138.1 Ų138.185%0.84679%0.794SS**  trans-68.1122.8163.9-174.70000109.9S432S432-S434 PolarHBondContact O-N 3.29Å
435T38Very low37.9Very low122 Ų122135.5 Ų135.575%0.74880%0.795SS**  trans-132.5106.5173.4-43.90000108.2H433 P437H433-T435 PolarHBondContact O-N 2.87Å; T435-P437 WeakPolarHBondContact O-CD 3.45Å
436S39.5Very low38.4Very low105 Ų105138.9 Ų138.973%0.73481%0.806SS**  trans-81.1125.3-176.344.80000112.1S438S436-S438 PolarHBondContact O-N 3.1Å
437P46.5Very low38.5Very low127 Ų127138.4 Ų138.483%0.82580%0.801SS**  trans-8597.6168.632.3-30.1000110.1T435T435-P437 WeakPolarHBondContact O-CD 3.45Å
438S32.3Very low38.9Very low104 Ų104135.4 Ų135.473%0.72780%0.798SS**  trans-71138.4166.7-166.90000109.9S436S436-S438 PolarHBondContact O-N 3.1Å
439P48.2Very low39.3Very low121 Ų121139.5 Ų139.579%0.78680%0.803SS**  trans-77.7132.8-164.229.6-35.7000113.6
440V38.2Very low39.4Very low132 Ų132134.6 Ų134.680%0.880%0.802SS**  trans-141.2132.5172.2-163.80000111.2
441S39Very low39.4Very low113 Ų113137.5 Ų137.579%0.7981%0.81SS**  trans59.7109.7167.9-71.60000119G443S441-G443 PolarHBondContact O-N 3.35Å
442M42.3Very low39.3Very low201 Ų201138.4 Ų138.499%0.9981%0.814SS**  trans-51.1124.9158.1-75.8-112.5-76.200111.9
443G40.7Very low39.6Very low69 Ų69144 Ų14471%0.71182%0.818SS**  trans-13985.9-176.400000113.8S441S441-G443 PolarHBondContact O-N 3.35Å
444R41.1Very low39.8Very low238 Ų238141.6 Ų141.690%0.89882%0.816SS**  trans40.7102.9160.1-69.7-179.9161.6-151.3-5.9117.4L446R444-L446 PolarHBondContact O-N 3.48Å
445S34.6Very low40.7Very low124 Ų124141.4 Ų141.487%0.86781%0.811SS**PPolyproline II helixtrans-56.9118.1163.153.90000112.2
446L43.9Very low40.7Very low160 Ų160141.5 Ų141.584%0.83881%0.814SS**PPolyproline II helixtrans-96.3140.9163.6-69.4175.7000109.6R444 P448R444-L446 PolarHBondContact O-N 3.48Å; L446-P448 WeakPolarHBondContact O-CD 3.4Å
447T40.6Very low40.5Very low119 Ų119147 Ų14773%0.7382%0.82SS**PPolyproline II helixtrans-75121.2-176.4480000112.3L449T447-L449 PolarHBondContact O-N 2.74Å
448P43.1Very low40.1Very low128 Ų128147.5 Ų147.583%0.83182%0.816SS**  trans-81.294.2174.332.5-32.7000111.1L446L446-P448 WeakPolarHBondContact O-CD 3.4Å
449L39.5Very low40.2Very low155 Ų155147.5 Ų147.581%0.81282%0.822SS**  trans-121.594.9170.7-72.8179.4000112T447T447-L449 PolarHBondContact O-N 2.74Å
450S36.5Very low39.5Very low123 Ų123146.9 Ų146.986%0.8682%0.816SS**  trans-175.380.6154.9-79.90000110.2
451L41.2Very low39.3Very low173 Ų173149.3 Ų149.391%0.90682%0.819SS**PPolyproline II helixtrans-84.2154.4162.3-88.3171.7000110.5
452K39.6Very low38.9Very low201 Ų201150.2 Ų150.287%0.87483%0.825SS**PPolyproline II helixtrans-50.8136.2-168.5-60.4179.6176.3-177.50114.2
453R40.6Very low38.3Very low234 Ų234144 Ų14488%0.88381%0.813SS**PPolyproline II helixtrans-71.6139.3160-177.8-174.2-78.8122.6-2.6109.4
454P40.4Very low37.9Very low104 Ų104146.3 Ų146.368%0.67582%0.818SS**PPolyproline II helixtrans-71.2159.2171.530.8-35.6000112.1
455P48.1Very low37.5Very low116 Ų116142.4 Ų142.475%0.75381%0.814SS**PPolyproline II helixtrans-68.2152.7176.630.1-35.4000112
456P38.8Very low37.2Very low125 Ų125141.8 Ų141.881%0.81281%0.81SS**PPolyproline II helixtrans-69.8155.4167.332.8-34.6000110.4
457Y35.7Very low36.6Very low219 Ų219144.9 Ų144.986%0.85981%0.81SS**  trans-123.9126.6173.8-154.9-84000108.6
458D37.2Very low36.1Very low139 Ų139144.3 Ų144.374%0.74381%0.811SS**  trans-75.2146-179.2-75.8-60.9000112V460D458-V460 PolarHBondContact O-N 2.77Å
459A34.6Very low35.6Very low103 Ų103143.5 Ų143.585%0.85181%0.808SS**  trans-81.9111.9-178.200000111.2
460V33.9Very low35.9Very low109 Ų109142 Ų14266%0.66181%0.808SS**  trans-124.9116.2172-74.40000112.2D458D458-V460 PolarHBondContact O-N 2.77Å
461H33.2Very low35.5Very low183 Ų183140.8 Ų140.885%0.84780%0.8SS**  trans28.499.8153.2-52.5-74000119.7
462S31.1Very low35.1Very low132 Ų132139.1 Ų139.192%0.92380%0.796SS**  trans-75.7134148.1-65.60000110
463G30.5Very low35.1Very low71 Ų71134.9 Ų134.973%0.73279%0.789SS**  trans-166.1113.2176.200000114.9
464S30.9Very low34.4Very low117 Ų117132.2 Ų132.282%0.81879%0.786SS**  trans66.1152175.3-112.80000115.5
465L33.5Very low33.9Very low155 Ų155130.5 Ų130.581%0.81278%0.777SS**  cis-130137.314.6-67156.4000112
466S29.5Very low33.1Very low112 Ų112131.2 Ų131.278%0.78378%0.779SS**  170.3112.1123.8-78.60000114.3
467R31.1Very low33.4Very low225 Ų225129.9 Ų129.985%0.84977%0.77SS**  trans9.8127.1141.3-42.2167.893.6-101.68.5115.4
468S29.4Very low33.4Very low106 Ų106130.2 Ų130.274%0.74177%0.77SS**  cis-165.8155.542.3-47.90000113.1
469S32.4Very low34Very low111 Ų111128.7 Ų128.778%0.77677%0.768SS**  trans-88.5-167.4171.4-25.40000111.7
470P45.7Very low33.8Very low123 Ų123129.8 Ų129.880%0.79976%0.764SS**  cis-118-165.9-22.935.6-15.4000110.2
471S29.1Very low33.7Very low99 Ų99129.7 Ų129.769%0.69277%0.768SS**  cis-161.8140.430.554.80000111.6
472V32.5Very low33.8Very low137 Ų137129 Ų12983%0.8377%0.765SS**  76.4133.3105.8-1800000115.6
473P38.3Very low33.8Very low112 Ų112130 Ų13073%0.72776%0.76SS**  trans-116.9173.4-161.543.1-33.2000115.5
474H27.3Very low33.8Very low178 Ų178130.5 Ų130.582%0.82477%0.765SS**  trans-149.5156.8137.2-148.5-95000116.1
475S28.2Very low34Very low69 Ų69128.9 Ų128.948%0.48376%0.759SS.*  trans-96.2143.2-165.6-26.30000114.3
476T32.8Very low34.1Very low131 Ų131130.2 Ų130.280%0.80476%0.758SS**  trans66-178.2138.268.90000117.3
477P43.7Very low34.6Very low96 Ų96131.9 Ų131.962%0.62376%0.756SS**  cis-140.5176-2.341.8-23.2000118.9
478R37.2Very low34.5Very low227 Ų227127.3 Ų127.386%0.85775%0.752SS**  trans87.2165138.3-108.5-172.3-86.2-123.10.2119.7
479P48.9Very low34.4Very low106 Ų106129.1 Ų129.169%0.68875%0.753SS**  -138.3-168.2-90.346.2-29.2000115.1
480V31.4Very low34.3Very low127 Ų127128 Ų12877%0.7775%0.751SS**  trans175.1138.1130.3144.80000112.6
481S32.1Very low33.6Very low106 Ų106126.2 Ų126.274%0.74175%0.747SS**  trans42.4152.2153.9-70.30000123.6
482Q33.6Very low33.6Very low169 Ų169128.3 Ų128.379%0.7976%0.755SS**  cis-162.4172.9-11.6179.2166.15.500110.2
483D31.1Very low33.4Very low152 Ų152127.1 Ų127.181%0.81374%0.744SS**  trans-40.3164.5-176.4-58.4-80.8000121.2
484G30.9Very low33Very low82 Ų82126.2 Ų126.285%0.84574%0.737SS**  trans168.659.6166.300000117.3
485A34.4Very low33.1Very low84 Ų84127.7 Ų127.769%0.69474%0.736SS**  trans-96.6146.9-162.700000117.6
486K36.2Very low33.1Very low183 Ų183128 Ų12880%0.79675%0.751SS**  trans74159.8146.6-67.9169177.9-179.70118.3
487M39.6Very low32.9Very low147 Ų147126.8 Ų126.872%0.72475%0.754SS**  cis-170.1164.9-10.6-114.7165.117.900113.3
488V29.1Very low32.1Very low129 Ų129127.2 Ų127.278%0.78277%0.766SS**  trans71.5162.7144.4155.20000120.2
489N28.9Very low31.8Very low143 Ų143122.4 Ų122.477%0.76577%0.767SS**  -177.6159.1-52.1-162.87.5000109.7
490A28.7Very low31Very low88 Ų88121 Ų12173%0.72777%0.771SS**  trans62.7168.6162.400000118.5
491A31.6Very low30.9Very low85 Ų85118.3 Ų118.370%0.70277%0.77SS**  cis-172.1177.9-37.100000109.4
492V29.5Very low31Very low144 Ų144119.5 Ų119.587%0.87378%0.778SS**  trans70.2144.4161155.20000116.1
493N27.7Very low31Very low112 Ų112122.7 Ų122.760%0.59978%0.783SS**  cis-165.8175.6-14177.937000109.9
494T30.1Very low31.1Very low93 Ų93121.4 Ų121.457%0.57179%0.785SS**  trans-24.8154.8164.2-37.70000115.4
495Y30.2Very low31.6Very low208 Ų208128.9 Ų128.982%0.81679%0.788SS**  cis-163.1168.247.7-41.5-102.1000113.4
496G27.3Very low31.7Very low76 Ų76130.7 Ų130.778%0.78479%0.791SS**  trans131.1118.5141.500000121.1
497A27.9Very low31.9Very low106 Ų106127.7 Ų127.788%0.87679%0.79SS**  trans56.2108.1140.800000123.4
498A28.4Very low32.2Very low105 Ų105124.7 Ų124.787%0.86878%0.78SS**  trans-21.9142.8151.400000121.3
499S29.8Very low33.1Very low126 Ų126122.1 Ų122.188%0.88177%0.768SS**  -156.1161.8122.6-165.70000110.9
500G31.7Very low34Very low76 Ų76120.2 Ų120.278%0.78476%0.763SS**  trans-90.1152.5-172.500000114.9
501G29.8Very low35.4Very low71 Ų71122.5 Ų122.573%0.73276%0.762SS**  trans-172.9112.5172.600000112.2R503G501-R503 PolarHBondContact O-N 3.07Å
502S34.8Very low36.5Very low131 Ų131123.2 Ų123.292%0.91675%0.751SS**  trans-67.1131-179.7-171.10000111.3
503R32.8Very low37.7Very low235 Ų235122 Ų12289%0.88774%0.736SS**  trans-137.8131.4171.3-73.2-171.6171.1175.4-2.2110.4G501G501-R503 PolarHBondContact O-N 3.07Å
504S33.6Very low39.1Very low125 Ų125121.6 Ų121.687%0.87473%0.733SS**PPolyproline II helixtrans-64.7140.4178.341.60000111.7
505R41.5Very low40.2Very low240 Ų240121.3 Ų121.391%0.90673%0.732SS**PPolyproline II helixtrans-86.1158.4169.8-76.5-175.4164.6-153.6-4.8111
506T37.8Very low41.2Very low122 Ų122114.9 Ų114.975%0.74872%0.717SS**PPolyproline II helixtrans-61.3150.4165.7370000111.3T508T506-T508 PolarHBondContact O-N 3.48Å
507P39.8Very low42.6Very low119 Ų119117.4 Ų117.477%0.77371%0.712SS**PPolyproline II helixtrans-68.2128.4-179.227.8-34.3000111.1
508T44.9Very low43.9Very low84 Ų84121.5 Ų121.552%0.51571%0.71SS.*  trans-99.8-168.2171.158.30000110.6T506 E512T506-T508 PolarHBondContact O-N 3.48Å; T508-E512 WeakPolarHBondContact CB-OE2 3.41Å; T508-E512 PolarHBondContact OG1-OE2 3.32Å
509S47.7Very low45Very low75 Ų75120.6 Ų120.652%0.52470%0.697SS.*  trans-62.2142.5-171.6-176.70000112.8L511 E512S509-L511 PolarHBondContact O-N 3.36Å; S509-E512 PolarHBondContact O-N 2.83Å
510P49.3Very low45.9Very low103 Ų103120 Ų12067%0.66969%0.693SS**THydrogen-bonded Turntrans-56.6-9.1179.3-27.535.4000116.5
511L58.2Low46.9Very low136 Ų136119 Ų11971%0.71268%0.684SS**THydrogen-bonded Turntrans-81.3-19.6175.4-166.260.2000113.2S509S509-L511 PolarHBondContact O-N 3.36Å
512E53.5Low48Very low101 Ų101127.4 Ų127.447%0.47269%0.693SS.*Hα-helixtrans-93.2-24.6-171.7-162.1166-146.300113.2T508 S509 L514 T515 S516T508-E512 WeakPolarHBondContact CB-OE2 3.41Å; T508-E512 PolarHBondContact OG1-OE2 3.32Å; S509-E512 PolarHBondContact O-N 2.83Å; E512-L514 VanDerWaalsContact C-N 3.35Å; E512-T515 WeakPolarHBondContact CA-OG1 3.08Å; E512-T515 PolarHBondContact O-N 2.87Å; E512-T515 PolarHBondContact O-OG1 3.17Å; E512-S516 PolarHBondContact O-N 2.81Å; E512-S516 PolarHBondContact O-OG 2.95Å
513E54.7Low48.3Very low119 Ų119126.5 Ų126.556%0.55669%0.687SS**Hα-helixtrans-63.4-40.8173.3-59.9-173.1152.600111.4T515 S516 L517E513-T515 VanDerWaalsContact C-N 3.34Å; E513-T515 PolarHBondContact O-N 3.17Å; E513-S516 PolarHBondContact O-N 3.34Å; E513-L517 PolarHBondContact O-N 3.35Å
514L56.8Low48.8Very low103 Ų103122.2 Ų122.254%0.53968%0.68SS.*Hα-helixtrans-66.7-32.1178.9-63.1179.5000112.8E512 F518E512-L514 VanDerWaalsContact C-N 3.35Å; L514-F518 WeakPolarHBondContact O-CD2 3.42Å
515T53.3Low49.4Very low87 Ų87124.5 Ų124.553%0.53468%0.682SS.*Hα-helixtrans-73.9-26.3175.343.50000113.4E512 E513 S519E512-T515 WeakPolarHBondContact CA-OG1 3.08Å; E512-T515 PolarHBondContact O-N 2.87Å; E512-T515 PolarHBondContact O-OG1 3.17Å; E513-T515 VanDerWaalsContact C-N 3.34Å; E513-T515 PolarHBondContact O-N 3.17Å; T515-S519 PolarHBondContact O-OG 2.99Å
516S51.8Low49.6Very low73 Ų73123.8 Ų123.851%0.5168%0.679SS.*Hα-helixtrans-73.3-41.8175.5-63.50000111.9E512 E513 F518 S519 S520E512-S516 PolarHBondContact O-N 2.81Å; E512-S516 PolarHBondContact O-OG 2.95Å; E513-S516 PolarHBondContact O-N 3.34Å; S516-F518 VanDerWaalsContact C-N 3.28Å; S516-F518 PolarHBondContact O-N 2.7Å; S516-S519 PolarHBondContact O-N 2.97Å; S516-S520 PolarHBondContact O-N 3.02Å; S516-S520 VanDerWaalsContact O-N 3.1Å
517L57.4Low49.8Very low129 Ų129127.6 Ų127.668%0.67569%0.685SS**Hα-helixtrans-59.9-31.8-179.4-82163.8000114.1E513E513-L517 PolarHBondContact O-N 3.35Å
518F54.7Low49.5Very low192 Ų192128.1 Ų128.184%0.84269%0.692SS**THydrogen-bonded Turntrans-91.20.6176.3-70.8-71.9000114.7L514 S516L514-F518 WeakPolarHBondContact O-CD2 3.42Å; S516-F518 VanDerWaalsContact C-N 3.28Å; S516-F518 PolarHBondContact O-N 2.7Å
519S50.2Low49Very low85 Ų85129.8 Ų129.859%0.59471%0.707SS**THydrogen-bonded Turntrans-109-25.6177.6-55.90000113T515 S516 G521T515-S519 PolarHBondContact O-OG 2.99Å; S516-S519 PolarHBondContact O-N 2.97Å; S519-G521 VanDerWaalsContact C-N 3.33Å; S519-G521 PolarHBondContact O-N 3.4Å
520S50Low48.3Very low113 Ų113132.3 Ų132.379%0.7973%0.725SS**  trans-80.974.5175.2-164.20000111.4S516S516-S520 PolarHBondContact O-N 3.02Å; S516-S520 VanDerWaalsContact O-N 3.1Å
521G52.8Low47.7Very low57 Ų57130.1 Ų130.159%0.58872%0.721SS**  trans-141.329-161.200000118S519S519-G521 VanDerWaalsContact C-N 3.33Å; S519-G521 PolarHBondContact O-N 3.4Å
522R52.7Low47Very low247 Ų247135.8 Ų135.893%0.93273%0.733SS**  trans-172.1167.2165-100.6137.3-162.2-111.81.6111.5
523S41.1Very low46.1Very low111 Ų111142.7 Ų142.778%0.77676%0.755SS**  trans71.1135-175.6-106.40000114.7
524L42.5Very low45.3Very low145 Ų145142.5 Ų142.576%0.75977%0.766SS**  cis-130.21313.2-81.7166.7000111.9
525L46.5Very low44.2Very low173 Ų173146.8 Ų146.891%0.90678%0.781SS**  trans-85109.3155.6-76.1168.8000108.9
526R45.2Very low42.9Very low226 Ų226150.9 Ų150.985%0.85379%0.793SS**  trans-149.8123.5153.8-87.1-146.5-85.2-148.6-1.6113.2
527K42.1Very low42Very low201 Ų201153.1 Ų153.187%0.87481%0.809SS**  trans11.1127.1154.2-66.4-179.9170.7-175.60118.8
528S33.9Very low40.6Very low131 Ų131151.2 Ų151.292%0.91681%0.812SS**  -135.2141.2129.9-92.70000109.2
529S34.4Very low39.4Very low119 Ų119151.4 Ų151.483%0.83282%0.815SS**  trans-121.3106.4-168.953.40000112.6
530S33.3Very low38.4Very low127 Ų127156.6 Ų156.689%0.88883%0.827SS**  trans-168.3140.7161.6-170.70000108.6
531G35.9Very low37.5Very low57 Ų57156.3 Ų156.359%0.58883%0.826SS**  cis148.980.3-300000113.2
532R43.5Very low36.4Very low255 Ų255159.7 Ų159.796%0.96284%0.835SS**  trans-164.3163.9163-100.7138.4-145.8-91.32.4111
533R36Very low35.3Very low247 Ų247156.1 Ų156.193%0.93283%0.829SS**  trans-109.3144.2-164.5-59.7175.1177.7-1045.8113.3
534S36.3Very low34.8Very low114 Ų114158.2 Ų158.280%0.79783%0.826SS**  -167.2107.1129.9-152.40000107.5
535K35.3Very low34.4Very low194 Ų194157.7 Ų157.784%0.84382%0.823SS**  66.67789.5-160.9-176.5177.2-175.70114.3
536E26.1Very low33.7Very low172 Ų172158.5 Ų158.580%0.80482%0.82SS**  4.3126.2128.9179.8175.9-138.500118.7
537S31.7Very low32.8Very low121 Ų121154.4 Ų154.485%0.84682%0.82SS**  -145.5142127.654.10000108.6
538A28.6Very low32.1Very low88 Ų88155.5 Ų155.573%0.72782%0.818SS**  trans-151.7131.2-176.100000111
539E28.5Very low31.9Very low196 Ų196153.9 Ų153.992%0.91681%0.807SS**  trans-166.7156.9174.4-111154.9-149.400110
540K29.9Very low31.5Very low194 Ų194157.2 Ų157.284%0.84381%0.809SS**  -160178.6-66.2-135.9-175.9179.6-179.20107.8
541S30.8Very low31.2Very low108 Ų108156.5 Ų156.576%0.75580%0.804SS**  trans71144.7178.580.50000114.6
542T30.4Very low30.9Very low127 Ų127160.4 Ų160.478%0.77982%0.816SS**  cis-141.4156.8-13.9-70000105.2
543E28.8Very low30.4Very low172 Ų172155.6 Ų155.680%0.80481%0.805SS**  -176.817463.1-163.9163.6150.100109.2
544E30.6Very low30.6Very low155 Ų155149.8 Ų149.872%0.72480%0.799SS**  trans-32.6159.7168.9-67.8-162.2162.400118.9
545L34.2Very low30.3Very low134 Ų134149.6 Ų149.670%0.70279%0.789SS**  cis-163.1161.910.5-124.3166.2000112.6
546K31.3Very low30.6Very low191 Ų191145.8 Ų145.883%0.8378%0.783SS**  trans64.6125.2145.5-138.2160.2-174.3167.80121.8
547V27.6Very low30.7Very low140 Ų140145.8 Ų145.885%0.84878%0.781SS**  trans-69150.9172.9169.30000112.9
548R27Very low30.7Very low224 Ų224147.3 Ų147.385%0.84578%0.779SS**  trans-88.1146.8174.3180177.9173.676.54.5112.1
549S29.4Very low30.6Very low97 Ų97149.7 Ų149.768%0.67878%0.779SS**  trans98.189.5165.7-54.90000118.7
550H26.8Very low30.5Very low189 Ų189146.7 Ų146.788%0.87577%0.77SS**  trans-121.5129.7132.6-53.6-88.8000104.3
551S27.4Very low30.5Very low111 Ų111146.4 Ų146.478%0.77677%0.768SS**  cis64.7101.349.9-163.80000113.6
552T28.6Very low30.3Very low139 Ų139150.1 Ų150.185%0.85377%0.774SS**  -165.8125.7119.437.60000110
553E34.3Very low30.3Very low154 Ų154153.9 Ų153.972%0.7277%0.774SS**  trans-95166.2157.8-175.8-173.4-127.500108.3L555E553-L555 WeakPolarHBondContact OE2-CD1 3.44Å
554P38.5Very low30.3Very low125 Ų125149.2 Ų149.281%0.81277%0.771SS**  trans-122.8124.9144.434.3-26.1000114.4
555L31.4Very low30.3Very low111 Ų111147.9 Ų147.958%0.58177%0.765SS**  trans-64163.8165.2-91.5114.9000112.8E553 K557E553-L555 WeakPolarHBondContact OE2-CD1 3.44Å; L555-K557 HydrophobicContact CD2-CG 3.81Å
556P40.8Very low30.2Very low113 Ų113149.9 Ų149.973%0.73477%0.77SS**  -117.6155.960.13.421.3000114.3
557K28.1Very low30.2Very low172 Ų172144.2 Ų144.275%0.74877%0.766SS**  56.6142.768-56.7178.5177.8176.50112.4L555L555-K557 HydrophobicContact CD2-CG 3.81Å
558L31.5Very low30.4Very low153 Ų153142.3 Ų142.380%0.80177%0.765SS**  cis-133.5-179.527.5-25.5174.3000109.9
559D26.2Very low30.8Very low139 Ų139136.7 Ų136.774%0.74376%0.76SS**  cis78118.913-150.1-102.9000116.4
560N26.3Very low30.9Very low133 Ų133137.4 Ų137.471%0.71177%0.765SS**  cis-170.4168.7-7.9-159.5-20.1000111.3
561K30.2Very low30.9Very low188 Ų188133.1 Ų133.182%0.81776%0.756SS**  trans49.9104.6149.4-177-172.1171.6-1770121.2
562E27.3Very low31.2Very low185 Ų185139.4 Ų139.486%0.86476%0.763SS**  trans-159.4133.2140.9-125.2-177.6122.900107
563R29.5Very low31.1Very low207 Ų207141.2 Ų141.278%0.78176%0.762SS**  51.8114.260-174.1174.8-67-148.70.5113.6
564G28.8Very low31.8Very low73 Ų73139 Ų13975%0.75376%0.76SS**  trans156.964.2-176.600000113.4
565H31Very low31.3Very low128 Ų128140.3 Ų140.359%0.59377%0.766SS**  73108.582.7-82.8-82.4000117.2
566H32.2Very low31.1Very low176 Ų176144.2 Ų144.282%0.81578%0.778SS**  trans79.2156.1150.9-49.7-55.9000121.7
567G30.7Very low30.6Very low71 Ų71143.2 Ų143.273%0.73278%0.78SS**  trans97.590.817600000113.7
568A33.4Very low30.6Very low100 Ų100144.2 Ų144.283%0.82679%0.787SS**  59.7128.259.800000112.1
569S33.7Very low30.4Very low106 Ų106144.3 Ų144.374%0.74178%0.783SS**  cis-147.3158.128.2-75.50000110.4
570S31.7Very low30.7Very low113 Ų113147.5 Ų147.579%0.7979%0.785SS**  56.313461.1174.90000112.7
571S28.5Very low31.1Very low99 Ų99148.1 Ų148.169%0.69279%0.788SS**  cis-173.6159.4-7.2166.40000108.2
572R32.2Very low31.1Very low242 Ų242142.5 Ų142.591%0.91378%0.784SS**  trans162.5115.4132.1-88.7166.1-174.5-160.71115.3
573E27Very low31.3Very low178 Ų178140 Ų14083%0.83278%0.782SS**  trans-82.2-176.3142.5-111.6-172.6175.800109.6
574P48.5Very low32.1Very low106 Ų106136.2 Ų136.269%0.68878%0.784SS**  cis-132.4-170.9-27.735.9-18.4000111.6
575V28Very low32.1Very low154 Ų154136.3 Ų136.393%0.93378%0.784SS**  trans-163.8165.8144129.60000110.4
576K27.3Very low32.7Very low192 Ų192136.1 Ų136.184%0.83580%0.795SS**  trans-139.5145.6-153-178.2-173.4177-173.40114.2
577A31.2Very low33.2Very low92 Ų92132.9 Ų132.976%0.7679%0.789SS**  trans67.6141162.400000120.2
578Q27.2Very low33.1Very low193 Ų193136.5 Ų136.590%0.90280%0.797SS**  -159172.2112-165.1149.6-42.700110.3
579E27.3Very low33Very low155 Ų155137.2 Ų137.272%0.72479%0.791SS**  trans-123.5-170.2-161.6-158.1172.4111.200112.5
580W33.8Very low32.8Very low207 Ų207138.9 Ų138.978%0.78480%0.797SS**  trans79.6114.5-178.6-50.197000114.3
581D33Very low32.7Very low145 Ų145138.3 Ų138.378%0.77579%0.793SS**  cis87.7138.828-16024.5000115.5
582G30.1Very low33Very low71 Ų71145.7 Ų145.773%0.73281%0.805SS**  trans15888.9-173.500000115.3
583T31.8Very low33.1Very low132 Ų132141.2 Ų141.281%0.8180%0.799SS**  trans-116.8178.3160.416.80000109.3
584P46.4Very low33.4Very low128 Ų128136.6 Ų136.683%0.83180%0.799SS**  cis-138.9-179.418.843.2-24.2000117.2
585G29.7Very low32.6Very low74 Ų74141.8 Ų141.876%0.76381%0.805SS**  trans161.3116.6167.700000116.1
586P42Very low32.6Very low124 Ų124141 Ų14181%0.80580%0.804SS**  trans-126.6-167.1-174.141.9-27000114.2
587P43Very low32.8Very low109 Ų109137.4 Ų137.471%0.70880%0.803SS**  -133.2162.2-56.837.8-22.8000114.1
588V30.1Very low32.8Very low147 Ų147139.8 Ų139.889%0.89181%0.808SS**  trans-138.8145.5157.4-178.90000109.8
589V30.3Very low32.9Very low115 Ų115135.8 Ų135.870%0.69780%0.801SS**  trans-118.5136.2-173176.10000111.3
590T28.9Very low33.4Very low141 Ų141134 Ų13487%0.86580%0.803SS**  trans-140.1112.8157-41.40000111
591S30Very low33.3Very low101 Ų101130.4 Ų130.471%0.70680%0.804SS**  trans-81.6143.9-178.7-630000112.9
592R36Very low33.6Very low254 Ų254131.2 Ų131.296%0.95881%0.808SS**  trans-114.1114.6158.7-67.5-175.6-175.1-113.33.8109
593L34.3Very low34Very low147 Ų147135.9 Ų135.977%0.7782%0.815SS**  trans-144.694.4173.9-172.465.4000111.3R595L593-R595 HydrophobicContact CD1-CG 3.92Å; L593-R595 HydrophobicContact CG-CG 4.3Å
594G31.6Very low34.1Very low81 Ų81134.8 Ų134.884%0.83582%0.819SS**  trans-93.4112.4165.600000110.2
595R31.9Very low33.2Very low216 Ų216131.8 Ų131.882%0.81581%0.812SS**  trans-142.9101.4168.3-59.9-17186.2-162.76.3109.7L593L593-R595 HydrophobicContact CD1-CG 3.92Å; L593-R595 HydrophobicContact CG-CG 4.3Å
596C29.7Very low33.2Very low136 Ų136136.1 Ų136.192%0.91982%0.818SS**  trans-80.6143.416644.20000110.2
597S31.3Very low32.8Very low117 Ų117138.7 Ų138.782%0.81882%0.818SS**  trans-101.4152.8-177.742.70000111.7
598V30.9Very low32.1Very low142 Ų142139.1 Ų139.186%0.86182%0.824SS**  trans-113.3129.8175-179.40000108.9
599S29.4Very low32.2Very low109 Ų109137.5 Ų137.576%0.76282%0.819SS**PPolyproline II helixtrans-79138.5-177.6-52.60000112.6
600P37.8Very low32.4Very low118 Ų118140 Ų14077%0.76682%0.823SS**PPolyproline II helixtrans-93.4118.5169.833.5-29.3000111.8
601T30.3Very low33Very low131 Ų131139.4 Ų139.480%0.80482%0.822SS**PPolyproline II helixtrans-80.5130.9168.5-54.70000110.2
602L41.1Very low33.2Very low162 Ų162143.3 Ų143.385%0.84883%0.826SS**PPolyproline II helixtrans-90.7140.2173.3-63.7176.5000110.9
603L37.1Very low32.9Very low170 Ų170138 Ų13889%0.8982%0.822SS**  trans-121.3121.7163.8-73.4175000108.6
604A34.3Very low32.5Very low108 Ų108136 Ų13689%0.89382%0.82SS**  trans-85.1131.8177.100000110.9
605G28.3Very low32.3Very low65 Ų65136.9 Ų136.967%0.6781%0.812SS**  trans-95116176.400000112.1H607G605-H607 PolarHBondContact O-ND1 2.77Å
606N28.6Very low32.3Very low166 Ų166135.4 Ų135.489%0.88881%0.811SS**  trans-70.3138.2-177-162.512.8000112.6
607H33.1Very low32.4Very low177 Ų177137.1 Ų137.182%0.81981%0.811SS**  trans-152152.3166.749.9-73.8000111G605G605-H607 PolarHBondContact O-ND1 2.77Å
608S29.3Very low32.3Very low119 Ų119134.6 Ų134.683%0.83280%0.803SS**  trans-116.7137.9-157.3173.70000114.3
609S32.7Very low32.4Very low112 Ų112139.9 Ų139.978%0.78381%0.808SS**  trans-169.7133.6149.454.70000111.1
610E34.9Very low32.8Very low168 Ų168140.6 Ų140.679%0.78581%0.812SS**  trans-69.6163.6168.3-46.8-178101.900111.4
611P40.7Very low32.5Very low129 Ų129139.8 Ų139.884%0.83882%0.816SS**  -144.3164.681.937.6-20.7000116.2
612K33Very low32.9Very low183 Ų183138.5 Ų138.580%0.79681%0.812SS**  trans-65.7137.9169.5-64.4165.8177.1167.40112.1
613V30.2Very low32.7Very low143 Ų143137.6 Ų137.687%0.86781%0.814SS**  -170.9131.4118.6-96.10000114.7
614S26.4Very low32.5Very low105 Ų105135.1 Ų135.173%0.73481%0.811SS**  trans60.5117132.5-147.70000123.7
615C26.4Very low32.2Very low99 Ų99132.8 Ų132.867%0.66980%0.797SS**  trans80.7124.1132-79.40000124.1
616K33.3Very low32.4Very low184 Ų184136.8 Ų136.880%0.881%0.808SS**  79.6104.6128.9-70.4177.3179179.30121.3
617L30.6Very low32.8Very low172 Ų172134 Ų13490%0.90180%0.799SS**  67.3103.9114-170.970000119.6
618G29.9Very low33Very low64 Ų64131.1 Ų131.166%0.6680%0.796SS**  125.3161.1103.500000120.1
619R33.4Very low33.3Very low254 Ų254131.7 Ų131.796%0.95880%0.797SS**  trans79.4116162.5-65.4-174.7155.1-151.2-8.9119.6
620S38.2Very low33.2Very low123 Ų123132 Ų13286%0.8680%0.799SS**  trans-79.5160163.2-5.10000112.5
621A29.9Very low33.1Very low101 Ų101130.8 Ų130.884%0.83580%0.803SS**  trans-153.1147.6153.200000109.8
622S38.7Very low32.8Very low104 Ų104129.1 Ų129.173%0.72780%0.8SS**  trans-124.6-166.4179.4-57.20000110.2
623T38.2Very low32.7Very low144 Ų144126.3 Ų126.388%0.88380%0.8SS**  trans80.3147.917577.20000115.2
624S32.3Very low32.8Very low118 Ų118127.6 Ų127.683%0.82580%0.802SS**  cis-166.9149.7-14.41640000111.3
625G29.1Very low33Very low59 Ų59133.5 Ų133.561%0.60881%0.808SS**  110.3133.6128.700000121.3
626V32.2Very low33.2Very low148 Ų148137.6 Ų137.690%0.89782%0.817SS**  trans80.6138.9151.4-171.60000117.7
627P36.6Very low32.9Very low107 Ų107135.3 Ų135.370%0.69582%0.819SS**  trans-117.6170.9-159.243.4-32.6000116.4
628P37.6Very low33Very low117 Ų117132.7 Ų132.776%0.7682%0.815SS**PPolyproline II helixtrans-78.5158.316234.1-34.9000112.6
629P35.6Very low32.9Very low132 Ų132136.6 Ų136.686%0.85782%0.821SS**PPolyproline II helixtrans-79.1155.6-173.432.2-36.8000114.5
630S30.5Very low32.9Very low117 Ų117131.9 Ų131.982%0.81881%0.814SS**PPolyproline II helixtrans-87.9132.6178.847.40000113.5
631V31.7Very low32.5Very low143 Ų143134.6 Ų134.687%0.86781%0.813SS**  trans-128.8134.5154.3-179.50000106.6
632A35.6Very low32.6Very low94 Ų94138 Ų13878%0.77781%0.811SS**PPolyproline II helixtrans-82.8145.2-161.700000114.5
633P31.2Very low32.2Very low124 Ų124138.5 Ų138.581%0.80581%0.814SS**PPolyproline II helixtrans-98.1138.3143.3-625.4000110.5
634L31Very low31.9Very low171 Ų171140 Ų14090%0.89581%0.811SS**PPolyproline II helixtrans-66.7141.5171.6-179.662.4000110.6Q636L634-Q636 PolarHBondContact O-N 3.01Å
635R31.8Very low31.9Very low229 Ų229140.7 Ų140.786%0.86481%0.811SS**PPolyproline II helixtrans-66.5126.1175.2-78.6-76.6-171.6100.9-1111.1
636Q29.9Very low32Very low184 Ų184141 Ų14186%0.8681%0.807SS**  trans-132.1161.1144.2-80-160.9-35.200110.8L634L634-Q636 PolarHBondContact O-N 3.01Å
637T27.7Very low32.1Very low137 Ų137139.5 Ų139.584%0.8480%0.802SS**  trans-66.1151.2-164.641.30000114.7
638S32.9Very low32Very low117 Ų117140.8 Ų140.882%0.81880%0.8SS**  trans-66.3133164.449.90000111.8
639D28Very low32.1Very low146 Ų146141.6 Ų141.678%0.78179%0.794SS**  trans-151.4151.7134.3-144.3-38.8000110
640L32.5Very low32.4Very low155 Ų155146.2 Ų146.281%0.81279%0.794SS**  trans-130.968.3-173.7-167.776.5000110.8Q642L640-Q642 PolarHBondContact O-N 3.5Å
641Q29.9Very low32.9Very low180 Ų180148.8 Ų148.884%0.84179%0.791SS**  trans-68.579.6171.6-76.7-87-51.200110.9S643Q641-S643 PolarHBondContact O-N 2.94Å
642Q32.2Very low33.4Very low173 Ų173150.3 Ų150.381%0.80879%0.788SS**  trans-66.8122.3169-170.7174.548.700108.8L640 Q644L640-Q642 PolarHBondContact O-N 3.5Å; Q642-Q644 PolarHBondContact O-N 2.71Å
643S29.9Very low34.2Very low113 Ų113148.9 Ų148.979%0.7978%0.783SS**  trans-67.991.1-175.7-1720000111.6Q641 V645Q641-S643 PolarHBondContact O-N 2.94Å; S643-V645 PolarHBondContact O-N 2.9Å
644Q31.2Very low35.3Very low176 Ų176147.9 Ų147.982%0.82277%0.771SS**  trans-74102.3170.8-173.1-179.696.900108.3Q642 A646Q642-Q644 PolarHBondContact O-N 2.71Å; Q644-A646 PolarHBondContact O-N 2.76Å
645V32.3Very low36.7Very low133 Ų133146.4 Ų146.481%0.80676%0.759SS**  trans-60104.7167.6-85.80000108.8S643 C647S643-V645 PolarHBondContact O-N 2.9Å; V645-C647 PolarHBondContact O-N 2.83Å
646A31.8Very low38.7Very low64 Ų64139.7 Ų139.753%0.52974%0.744SS.*  trans-63.4100-177.900000110.2Q644 M648Q644-A646 PolarHBondContact O-N 2.76Å; A646-M648 HydrophobicContact CB-CE 3.68Å; A646-M648 PolarHBondContact O-N 3.5Å
647C34.6Very low41.3Very low118 Ų118135.3 Ų135.380%0.79772%0.724SS**  trans-59.3111.5161.6-172.70000106.6V645 Q649V645-C647 PolarHBondContact O-N 2.83Å; C647-Q649 PolarHBondContact O-N 2.87Å
648M35Very low44.2Very low133 Ų133134.5 Ų134.566%0.65571%0.714SS**  trans-60.3110.4-177.1-77-70.5103.600109.5A646 W650A646-M648 HydrophobicContact CB-CE 3.68Å; A646-M648 PolarHBondContact O-N 3.5Å; M648-W650 PolarHBondContact O-N 3.05Å
649Q38.2Very low46.8Very low135 Ų135134.4 Ų134.463%0.63170%0.701SS**  trans-62.4103.3177.8-172.877.115.300108.3C647 F651C647-Q649 PolarHBondContact O-N 2.87Å; Q649-F651 HydrophobicContact CG-CB 4.38Å; Q649-F651 HydrophobicContact CG-CD2 3.31Å; Q649-F651 HydrophobicContact CG-CE2 3.81Å; Q649-F651 HydrophobicContact CG-CG 4.05Å; Q649-F651 PolarHBondContact O-N 3.38Å
650W43.3Very low49.9Very low228 Ų228131 Ų13186%0.86468%0.681SS**  trans-73.354.2179.8-68.586.5000112M648 H652M648-W650 PolarHBondContact O-N 3.05Å; W650-H652 PolarHBondContact O-N 3.35Å
651F39.3Very low52.8Low171 Ų171128 Ų12875%0.7567%0.665SS**  trans-77.3-2.1174.2-96.5-44000113.8Q649 G653Q649-F651 HydrophobicContact CG-CB 4.38Å; Q649-F651 HydrophobicContact CG-CD2 3.31Å; Q649-F651 HydrophobicContact CG-CE2 3.81Å; Q649-F651 HydrophobicContact CG-CG 4.05Å; Q649-F651 PolarHBondContact O-N 3.38Å; F651-G653 PolarHBondContact O-N 2.95Å
652H44.1Very low55.9Low175 Ų175122.7 Ų122.781%0.8164%0.64SS**SBendtrans-80.973.8160.3-67.886.3000108.5W650 D654W650-H652 PolarHBondContact O-N 3.35Å; H652-D654 VanDerWaalsContact C-N 3.32Å; H652-D654 PolarHBondContact O-N 3.38Å
653G51.1Low58.8Low65 Ų65122.3 Ų122.367%0.6764%0.636SS**  trans-7381.5-177.900000111.8F651 H655F651-G653 PolarHBondContact O-N 2.95Å; G653-H655 VanDerWaalsContact C-N 3.27Å; G653-H655 PolarHBondContact O-N 2.91Å
654D54Low61.9Low103 Ų103122.5 Ų122.555%0.55162%0.623SS**  trans-57.592.6163.1-85.7-14.5000108.8H652 T656 M657 L658H652-D654 VanDerWaalsContact C-N 3.32Å; H652-D654 PolarHBondContact O-N 3.38Å; D654-T656 PolarHBondContact O-N 3.37Å; D654-T656 VanDerWaalsContact O-N 3.17Å; D654-M657 HydrophobicContact CB-CB 3.77Å; D654-M657 HydrophobicContact CB-CG 3.82Å; D654-M657 WeakPolarHBondContact O-CA 3.36Å; D654-M657 WeakPolarHBondContact O-CB 3.42Å; D654-M657 PolarHBondContact O-N 3.4Å; D654-L658 PolarHBondContact O-N 3.44Å
655H61.3Low65Low139 Ų139121 Ų12164%0.64461%0.61SS**Hα-helixtrans-54.9-37.2177.6-154.585.9000110.1G653 M657 L658 E659G653-H655 VanDerWaalsContact C-N 3.27Å; G653-H655 PolarHBondContact O-N 2.91Å; H655-M657 VanDerWaalsContact C-N 3.32Å; H655-M657 PolarHBondContact O-N 2.82Å; H655-L658 PolarHBondContact O-N 3.44Å; H655-L658 VanDerWaalsContact O-N 3.17Å; H655-E659 IonicContact CD2-OE1 3.01Å; H655-E659 WeakPolarHBondContact O-CB 3.36Å; H655-E659 WeakPolarHBondContact O-CG 3.27Å; H655-E659 PolarHBondContact O-N 3.18Å
656T73.4Confident67.9Low89 Ų89117.6 Ų117.655%0.54659%0.591SS.*Hα-helixtrans-57.5-33172.257.70000114.4D654 M660D654-T656 PolarHBondContact O-N 3.37Å; D654-T656 VanDerWaalsContact O-N 3.17Å; T656-M660 WeakPolarHBondContact O-CB 3.42Å; T656-M660 PolarHBondContact O-N 2.89Å
657M85.4Confident70.9Confident91 Ų91118.9 Ų118.945%0.44859%0.588SS.*Hα-helixtrans-72.6-42.6174.5-88.9-75.7-73.400111.2D654 H655 M660 I661D654-M657 HydrophobicContact CB-CB 3.77Å; D654-M657 HydrophobicContact CB-CG 3.82Å; D654-M657 WeakPolarHBondContact O-CA 3.36Å; D654-M657 WeakPolarHBondContact O-CB 3.42Å; D654-M657 PolarHBondContact O-N 3.4Å; H655-M657 VanDerWaalsContact C-N 3.32Å; H655-M657 PolarHBondContact O-N 2.82Å; M657-M660 HydrophobicContact CG-CE 4.46Å; M657-M660 PolarHBondContact O-N 2.82Å; M657-M660 HydrophobicContact SD-CE 3.36Å; M657-M660 WeakPolarHBondContact SD-CE 3.31Å; M657-I661 VanDerWaalsContact O-CG1 3.26Å; M657-I661 WeakPolarHBondContact O-CG1 3.33Å; M657-I661 PolarHBondContact O-N 2.99Å
658L88.8Confident73.7Confident120 Ų120117.2 Ų117.263%0.62858%0.577SS**Hα-helixtrans-69.6-42.8178-166.964.9000111.5D654 H655 M660 I661 E662D654-L658 PolarHBondContact O-N 3.44Å; H655-L658 PolarHBondContact O-N 3.44Å; H655-L658 VanDerWaalsContact O-N 3.17Å; L658-M660 VanDerWaalsContact C-N 3.35Å; L658-M660 PolarHBondContact O-N 3.4Å; L658-I661 WeakPolarHBondContact O-CB 3.32Å; L658-I661 PolarHBondContact O-N 3.04Å; L658-I661 VanDerWaalsContact O-N 3.14Å; L658-E662 PolarHBondContact O-N 3.44Å
659E87.4Confident76.4Confident116 Ų116116 Ų11654%0.54257%0.568SS.*Hα-helixtrans-54.8-47.9167.4-76.7-176.6161.800111.5H655 I661 E662 K663H655-E659 IonicContact CD2-OE1 3.01Å; H655-E659 WeakPolarHBondContact O-CB 3.36Å; H655-E659 WeakPolarHBondContact O-CG 3.27Å; H655-E659 PolarHBondContact O-N 3.18Å; E659-I661 VanDerWaalsContact C-N 3.26Å; E659-I661 PolarHBondContact O-N 3.44Å; E659-E662 PolarHBondContact O-N 2.72Å; E659-K663 WeakPolarHBondContact O-CB 3.44Å; E659-K663 PolarHBondContact O-N 3.01Å
660M91.8Very high79Confident74 Ų74113.7 Ų113.737%0.36556%0.557SS.*Hα-helixtrans-62.9-33.5177.9175.7170.747.500111.8T656 M657 L658 K664T656-M660 WeakPolarHBondContact O-CB 3.42Å; T656-M660 PolarHBondContact O-N 2.89Å; M657-M660 HydrophobicContact CG-CE 4.46Å; M657-M660 PolarHBondContact O-N 2.82Å; M657-M660 HydrophobicContact SD-CE 3.36Å; M657-M660 WeakPolarHBondContact SD-CE 3.31Å; L658-M660 VanDerWaalsContact C-N 3.35Å; L658-M660 PolarHBondContact O-N 3.4Å; M660-K664 HydrophobicContact CG-CD 3.92Å; M660-K664 VanDerWaalsContact CG-CE 3.45Å; M660-K664 HydrophobicContact CG-CG 4.4Å; M660-K664 VanDerWaalsContact O-CB 3.26Å; M660-K664 WeakPolarHBondContact O-CB 3.47Å; M660-K664 WeakPolarHBondContact O-CD 3.38Å; M660-K664 WeakPolarHBondContact O-CG 3.46Å; M660-K664 PolarHBondContact O-N 2.77Å; M660-K664 PolarHBondContact SD-NZ 3.17Å
661I94.5Very high81.3Confident93 Ų93106.8 Ų106.848%0.47754%0.536SS..Hα-helixtrans-67.2-51.2175.1-72.5162.6000110.8M657 L658 E659 K664 R665M657-I661 VanDerWaalsContact O-CG1 3.26Å; M657-I661 WeakPolarHBondContact O-CG1 3.33Å; M657-I661 PolarHBondContact O-N 2.99Å; L658-I661 WeakPolarHBondContact O-CB 3.32Å; L658-I661 PolarHBondContact O-N 3.04Å; L658-I661 VanDerWaalsContact O-N 3.14Å; E659-I661 VanDerWaalsContact C-N 3.26Å; E659-I661 PolarHBondContact O-N 3.44Å; I661-K664 PolarHBondContact O-N 3.42Å; I661-R665 WeakPolarHBondContact O-CB 3.29Å; I661-R665 PolarHBondContact O-N 3.04Å
662E94.1Very high83.7Confident67 Ų67105.9 Ų105.931%0.31353%0.532SS..Hα-helixtrans-70.4-32.9178.1-169.261.9-136.100111.9L658 E659 K664 R665 C666 K669L658-E662 PolarHBondContact O-N 3.44Å; E659-E662 PolarHBondContact O-N 2.72Å; E662-K664 PolarHBondContact O-N 3.4Å; E662-R665 CarbonylContact O-C 3.54Å; E662-R665 WeakPolarHBondContact O-CA 3.46Å; E662-R665 WeakPolarHBondContact O-CB 3.48Å; E662-R665 PolarHBondContact O-N 2.77Å; E662-R665 IonicContact OE1-CZ 2.75Å; E662-R665 IonicContact OE1-NE 3.69Å; E662-R665 PolarHBondContact OE1-NE 2.92Å; E662-R665 IonicContact OE1-NH2 2.69Å; E662-R665 PolarHBondContact OE1-NH2 3.19Å; E662-R665 IonicContact OE2-CZ 2.77Å; E662-R665 IonicContact OE2-NE 2.74Å; E662-R665 PolarHBondContact OE2-NE 2.95Å; E662-R665 IonicContact OE2-NH2 3.14Å; E662-R665 PolarHBondContact OE2-NH2 2.79Å; E662-C666 WeakPolarHBondContact O-CB 3.45Å; E662-C666 PolarHBondContact O-N 3.21Å; E662-C666 PolarHBondContact O-SG 3.48Å; E662-K669 IonicContact OE1-NZ 2.71Å; E662-K669 PolarHBondContact OE1-NZ 2.89Å
663K93Very high85.6Confident165 Ų165100.2 Ų100.272%0.71752%0.515SS*.Hα-helixtrans-63.2-41.2173.1-168.3169.3-171.4168.10111.7E659 L667E659-K663 WeakPolarHBondContact O-CB 3.44Å; E659-K663 PolarHBondContact O-N 3.01Å; K663-L667 WeakPolarHBondContact O-CB 3.34Å; K663-L667 PolarHBondContact O-N 3.17Å
664K95.4Very high86.8Confident117 Ų117105.1 Ų105.151%0.50951%0.514SS..Hα-helixtrans-63.7-40.3168.6-76.4167.3-178.5168.20111.4M660 I661 E662 L667 C668M660-K664 HydrophobicContact CG-CD 3.92Å; M660-K664 VanDerWaalsContact CG-CE 3.45Å; M660-K664 HydrophobicContact CG-CG 4.4Å; M660-K664 VanDerWaalsContact O-CB 3.26Å; M660-K664 WeakPolarHBondContact O-CB 3.47Å; M660-K664 WeakPolarHBondContact O-CD 3.38Å; M660-K664 WeakPolarHBondContact O-CG 3.46Å; M660-K664 PolarHBondContact O-N 2.77Å; M660-K664 PolarHBondContact SD-NZ 3.17Å; I661-K664 PolarHBondContact O-N 3.42Å; E662-K664 PolarHBondContact O-N 3.4Å; K664-L667 PolarHBondContact O-N 3.23Å; K664-C668 WeakPolarHBondContact O-CB 3.42Å; K664-C668 PolarHBondContact O-N 2.63Å; K664-C668 PolarHBondContact O-SG 2.96Å; K664-C668 VanDerWaalsContact O-SG 3.33Å
665R95.3Very high87.7Confident146 Ų146104.8 Ų104.855%0.55151%0.509SS*.Hα-helixtrans-64.5-41.3178.1-160.516783147.5-9.9111.9I661 E662 C668 K669I661-R665 WeakPolarHBondContact O-CB 3.29Å; I661-R665 PolarHBondContact O-N 3.04Å; E662-R665 CarbonylContact O-C 3.54Å; E662-R665 WeakPolarHBondContact O-CA 3.46Å; E662-R665 WeakPolarHBondContact O-CB 3.48Å; E662-R665 PolarHBondContact O-N 2.77Å; E662-R665 IonicContact OE1-CZ 2.75Å; E662-R665 IonicContact OE1-NE 3.69Å; E662-R665 PolarHBondContact OE1-NE 2.92Å; E662-R665 IonicContact OE1-NH2 2.69Å; E662-R665 PolarHBondContact OE1-NH2 3.19Å; E662-R665 IonicContact OE2-CZ 2.77Å; E662-R665 IonicContact OE2-NE 2.74Å; E662-R665 PolarHBondContact OE2-NE 2.95Å; E662-R665 IonicContact OE2-NH2 3.14Å; E662-R665 PolarHBondContact OE2-NH2 2.79Å; R665-C668 PolarHBondContact O-N 3.27Å; R665-K669 VanDerWaalsContact O-CG 3.27Å; R665-K669 WeakPolarHBondContact O-CG 3.47Å; R665-K669 PolarHBondContact O-N 3.47Å
666C93.3Very high87.5Confident60 Ų60106 Ų10641%0.40551%0.512SS..Hα-helixtrans-67-46.1173.8-74.30000112.5E662 C668 K669 E670E662-C666 WeakPolarHBondContact O-CB 3.45Å; E662-C666 PolarHBondContact O-N 3.21Å; E662-C666 PolarHBondContact O-SG 3.48Å; C666-C668 VanDerWaalsContact C-N 3.29Å; C666-C668 PolarHBondContact O-N 3.06Å; C666-K669 WeakPolarHBondContact O-CB 3.31Å; C666-K669 PolarHBondContact O-N 3.04Å; C666-K669 VanDerWaalsContact O-N 3.1Å; C666-E670 PolarHBondContact O-N 2.85Å
667L95.1Very high86.7Confident92 Ų92106.4 Ų106.448%0.48252%0.515SS..Hα-helixtrans-58.5-41.4173.4-178.561.3000111.8K663 K664 E670 I671K663-L667 WeakPolarHBondContact O-CB 3.34Å; K663-L667 PolarHBondContact O-N 3.17Å; K664-L667 PolarHBondContact O-N 3.23Å; L667-E670 PolarHBondContact O-N 2.75Å; L667-I671 HydrophobicContact CD1-CD1 3.94Å; L667-I671 HydrophobicContact CD1-CG1 4.19Å; L667-I671 HydrophobicContact CG-CD1 3.82Å; L667-I671 HydrophobicContact CG-CG1 4.45Å; L667-I671 WeakPolarHBondContact O-CB 3.33Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.35Å; L667-I671 PolarHBondContact O-N 3.01Å
668C93Very high85Confident83 Ų83109.1 Ų109.156%0.56153%0.526SS*.Hα-helixtrans-66.4-37.1174.3-75.70000113.2K664 R665 C666 K672K664-C668 WeakPolarHBondContact O-CB 3.42Å; K664-C668 PolarHBondContact O-N 2.63Å; K664-C668 PolarHBondContact O-SG 2.96Å; K664-C668 VanDerWaalsContact O-SG 3.33Å; R665-C668 PolarHBondContact O-N 3.27Å; C666-C668 VanDerWaalsContact C-N 3.29Å; C666-C668 PolarHBondContact O-N 3.06Å; C668-K672 WeakPolarHBondContact O-CB 3.37Å; C668-K672 PolarHBondContact O-N 3.22Å; C668-K672 VanDerWaalsContact O-N 3.16Å
669K93Very high83.3Confident107 Ų107110.3 Ų110.347%0.46553%0.526SS..Hα-helixtrans-61-45.9170.8-70.3162.1-173.4160.90110.2E662 R665 C666 K672 A673E662-K669 IonicContact OE1-NZ 2.71Å; E662-K669 PolarHBondContact OE1-NZ 2.89Å; R665-K669 VanDerWaalsContact O-CG 3.27Å; R665-K669 WeakPolarHBondContact O-CG 3.47Å; R665-K669 PolarHBondContact O-N 3.47Å; C666-K669 WeakPolarHBondContact O-CB 3.31Å; C666-K669 PolarHBondContact O-N 3.04Å; C666-K669 VanDerWaalsContact O-N 3.1Å; K669-K672 PolarHBondContact O-N 3.45Å; K669-A673 PolarHBondContact O-N 3.11Å
670E92.6Very high81.4Confident87 Ų87107.4 Ų107.441%0.40753%0.528SS..Hα-helixtrans-67.9-49.1-177.5-164.9-165154.900112.8C666 L667 K672 A673 R674C666-E670 PolarHBondContact O-N 2.85Å; L667-E670 PolarHBondContact O-N 2.75Å; E670-K672 PolarHBondContact O-N 3.24Å; E670-A673 WeakPolarHBondContact O-CB 3.44Å; E670-A673 PolarHBondContact O-N 3.24Å; E670-R674 PolarHBondContact O-N 3.31Å; E670-R674 IonicContact OE1-CZ 3.83Å; E670-R674 IonicContact OE1-NE 3.15Å; E670-R674 PolarHBondContact OE1-NE 3.01Å; E670-R674 IonicContact OE1-NH2 2.76Å; E670-R674 PolarHBondContact OE1-NH2 3.19Å
671I92.4Very high79.3Confident83 Ų83110.5 Ų110.543%0.42655%0.545SS..Hα-helixtrans-57-41.6175.4-69.3168.2000110.2L667 A673 R674 Q675L667-I671 HydrophobicContact CD1-CD1 3.94Å; L667-I671 HydrophobicContact CD1-CG1 4.19Å; L667-I671 HydrophobicContact CG-CD1 3.82Å; L667-I671 HydrophobicContact CG-CG1 4.45Å; L667-I671 WeakPolarHBondContact O-CB 3.33Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.35Å; L667-I671 PolarHBondContact O-N 3.01Å; I671-A673 VanDerWaalsContact C-N 3.35Å; I671-R674 PolarHBondContact O-N 3.35Å; I671-Q675 VanDerWaalsContact O-CB 3.27Å; I671-Q675 WeakPolarHBondContact O-CB 3.47Å; I671-Q675 WeakPolarHBondContact O-CG 3.34Å; I671-Q675 PolarHBondContact O-N 3.5Å
672K88.8Confident77Confident152 Ų152111.7 Ų111.766%0.66156%0.561SS**Hα-helixtrans-68.5-29.9177.3-176.3174.4177.6178.30113C668 K669 E670 K676C668-K672 WeakPolarHBondContact O-CB 3.37Å; C668-K672 PolarHBondContact O-N 3.22Å; C668-K672 VanDerWaalsContact O-N 3.16Å; K669-K672 PolarHBondContact O-N 3.45Å; E670-K672 PolarHBondContact O-N 3.24Å; K672-K676 PolarHBondContact O-N 2.94Å
673A84.4Confident74.8Confident55 Ų55117.5 Ų117.546%0.45559%0.585SS.*Hα-helixtrans-71.5-51.8171.700000111.2K669 E670 I671 Q675 K676 T677K669-A673 PolarHBondContact O-N 3.11Å; E670-A673 WeakPolarHBondContact O-CB 3.44Å; E670-A673 PolarHBondContact O-N 3.24Å; I671-A673 VanDerWaalsContact C-N 3.35Å; A673-Q675 VanDerWaalsContact C-N 3.31Å; A673-Q675 PolarHBondContact O-N 2.86Å; A673-K676 WeakPolarHBondContact O-CB 3.47Å; A673-K676 PolarHBondContact O-N 3.11Å; A673-T677 PolarHBondContact O-N 3.37Å
674R76.6Confident72.6Confident169 Ų169118.3 Ų118.364%0.63859%0.591SS**Hα-helixtrans-58.3-42177.5-65.8-179.7-175.8-85.32.4111.9E670 I671 K676 T677 E678E670-R674 PolarHBondContact O-N 3.31Å; E670-R674 IonicContact OE1-CZ 3.83Å; E670-R674 IonicContact OE1-NE 3.15Å; E670-R674 PolarHBondContact OE1-NE 3.01Å; E670-R674 IonicContact OE1-NH2 2.76Å; E670-R674 PolarHBondContact OE1-NH2 3.19Å; I671-R674 PolarHBondContact O-N 3.35Å; R674-K676 VanDerWaalsContact C-N 3.29Å; R674-K676 PolarHBondContact O-N 2.87Å; R674-T677 PolarHBondContact O-N 2.62Å; R674-E678 PolarHBondContact O-N 3.15Å
675Q72.1Confident70Confident95 Ų95120.9 Ų120.944%0.44461%0.61SS.*Hα-helixtrans-65.7-22.1174-85-153.923.800114.6I671 A673 K679I671-Q675 VanDerWaalsContact O-CB 3.27Å; I671-Q675 WeakPolarHBondContact O-CB 3.47Å; I671-Q675 WeakPolarHBondContact O-CG 3.34Å; I671-Q675 PolarHBondContact O-N 3.5Å; A673-Q675 VanDerWaalsContact C-N 3.31Å; A673-Q675 PolarHBondContact O-N 2.86Å; Q675-K679 WeakPolarHBondContact O-CD 3.41Å; Q675-K679 WeakPolarHBondContact O-CE 3.2Å; Q675-K679 WeakPolarHBondContact O-CG 3.44Å; Q675-K679 VanDerWaalsContact OE1-CE 3.23Å
676K58.1Low67.7Low165 Ų165118.3 Ų118.372%0.71762%0.615SS**Hα-helixtrans-72-39.9172.7-91.6-172.5169.5-1700111.4K672 A673 R674K672-K676 PolarHBondContact O-N 2.94Å; A673-K676 WeakPolarHBondContact O-CB 3.47Å; A673-K676 PolarHBondContact O-N 3.11Å; R674-K676 VanDerWaalsContact C-N 3.29Å; R674-K676 PolarHBondContact O-N 2.87Å
677T55.4Low65.4Low97 Ų97123.4 Ų123.460%0.59563%0.634SS**Hα-helixtrans-68-48.7-178.5-43.60000111.6A673 R674 K679 G680 L681A673-T677 PolarHBondContact O-N 3.37Å; R674-T677 PolarHBondContact O-N 2.62Å; T677-K679 PolarHBondContact O-N 3.39Å; T677-G680 PolarHBondContact O-N 3.29Å; T677-L681 HydrophobicContact CG2-CD1 4.42Å
678E50.5Low63.3Low148 Ų148124.3 Ų124.369%0.69265%0.646SS**Hα-helixtrans-64.3-40-175.6-170.2-175.7-126.100112.9R674 G680 L681R674-E678 PolarHBondContact O-N 3.15Å; E678-G680 PolarHBondContact O-N 3.02Å; E678-G680 VanDerWaalsContact O-N 3.11Å; E678-L681 PolarHBondContact O-N 2.83Å
679K52.1Low60.9Low145 Ų145128.6 Ų128.663%0.6366%0.661SS**THydrogen-bonded Turntrans-65.5-13.4178.7-66.7178.4-146.1-58.10113.9Q675 T677Q675-K679 WeakPolarHBondContact O-CD 3.41Å; Q675-K679 WeakPolarHBondContact O-CE 3.2Å; Q675-K679 WeakPolarHBondContact O-CG 3.44Å; Q675-K679 VanDerWaalsContact OE1-CE 3.23Å; T677-K679 PolarHBondContact O-N 3.39Å
680G48.4Very low58.5Low56 Ų56130.7 Ų130.758%0.57768%0.677SS**THydrogen-bonded Turntrans-89.2-22.1179.100000115.1T677 E678T677-G680 PolarHBondContact O-N 3.29Å; E678-G680 PolarHBondContact O-N 3.02Å; E678-G680 VanDerWaalsContact O-N 3.11Å
681L47.7Very low56.2Low138 Ų138131.5 Ų131.572%0.72369%0.69SS**THydrogen-bonded Turntrans-93.3-7.9-162.3-71.1168000115.5T677 E678 K683T677-L681 HydrophobicContact CG2-CD1 4.42Å; E678-L681 PolarHBondContact O-N 2.83Å; L681-K683 PolarHBondContact O-N 3.39Å
682C45.3Very low53.6Low119 Ų119133.2 Ų133.280%0.80471%0.709SS**THydrogen-bonded Turntrans-81.1-9.6-174.5-166.70000114.5
683K48.3Very low51.2Low188 Ų188137.7 Ų137.782%0.81772%0.722SS**SBendtrans-149.273.8-177.8-69.2-162.9176.1-167.70114.9L681L681-K683 PolarHBondContact O-N 3.39Å
684Q47Very low49.2Very low183 Ų183143.6 Ų143.686%0.85574%0.738SS**  trans-170.762.3142.8-89.9-121-52.300110.5S686Q684-S686 PolarHBondContact O-N 3.25Å
685D40.2Very low47.4Very low170 Ų170145.3 Ų145.391%0.90975%0.75SS**  trans-95.278165.7-154.2-15.4000109
686S48.4Very low45.7Very low92 Ų92147.2 Ų147.264%0.64376%0.763SS**  trans-151.796.2-176.4-78.60000111.6Q684Q684-S686 PolarHBondContact O-N 3.25Å
687M44.9Very low44.9Very low167 Ų167144.8 Ų144.882%0.82377%0.774SS**  trans70.3119.1169-59.8-70.395.100117.3
688P49.7Very low44Very low112 Ų112144 Ų14473%0.72778%0.784SS**PPolyproline II helixtrans-70.9135.7167.730.7-33.3000110.6L690P688-L690 PolarHBondContact O-N 3.07Å
689I42.8Very low43.7Very low172 Ų172141.3 Ų141.388%0.88279%0.788SS**PPolyproline II helixtrans-70.9117.3177-64.2170.2000109.1
690L43.6Very low43.1Very low151 Ų151144 Ų14479%0.79180%0.799SS**PPolyproline II helixtrans-69.4137.3173.2-65.3174.8000110.6P688P688-L690 PolarHBondContact O-N 3.07Å
691P42.8Very low43.1Very low105 Ų105149.8 Ų149.868%0.68281%0.809SS**PPolyproline II helixtrans-66.6134.4171.928.6-33.9000110.3W693P691-W693 PolarHBondContact O-N 2.96Å
692S38.9Very low42.7Very low119 Ų119153.1 Ų153.183%0.83281%0.813SS**  trans-75.3106.9-175.650.10000112.1K694S692-K694 PolarHBondContact O-N 2.79Å
693W39.1Very low42.3Very low245 Ų245152.8 Ų152.893%0.92881%0.812SS**  trans-70.9104.5174.2-76.8-30.3000112P691 K695P691-W693 PolarHBondContact O-N 2.96Å; W693-K695 PolarHBondContact O-N 3.2Å
694K41Very low42.6Very low179 Ų179149 Ų14978%0.77881%0.807SS**  trans-56.9115.1168.6-175.6-179.1-176.7178.60110.2S692 N696S692-K694 PolarHBondContact O-N 2.79Å; K694-N696 PolarHBondContact O-N 3.36Å
695K38.5Very low42.8Very low205 Ų205146.1 Ų146.189%0.89180%0.804SS**  trans-63.199.8178.6-179.3-174.8177.1-178.10111.6W693W693-K695 PolarHBondContact O-N 3.2Å
696N36.8Very low43.3Very low135 Ų135144.2 Ų144.272%0.72280%0.801SS**  trans-117.7139.9161.8-83.7-8.6000108.9K694K694-N696 PolarHBondContact O-N 3.36Å
697A41.7Very low43Very low114 Ų114151 Ų15194%0.94281%0.814SS**  trans-85132.3177.200000110.9
698G37Very low42.9Very low80 Ų80148.4 Ų148.483%0.82581%0.812SS**  trans172.9126.8176.800000110.5
699A43Very low42.5Very low92 Ų92152.3 Ų152.376%0.7682%0.818SS**  trans-101.7139-17500000112.1
700K40.7Very low42.4Very low201 Ų201153.2 Ų153.287%0.87482%0.818SS**  172.1127.6126.8-90.2152.2-171.7179.30113.9
701K47.4Very low42.4Very low178 Ų178154.5 Ų154.577%0.77482%0.82SS**  trans45.6118.9138.2-59.1-77-172.11700121.8
702Y38.9Very low42.3Very low209 Ų209155.2 Ų155.282%0.8282%0.823SS**  trans50.8117136.4-74.2-100.3000122.2
703S38.5Very low42.4Very low112 Ų112154.9 Ų154.978%0.78382%0.815SS**  -177.6144.4113.1-165.30000111.6
704P53.3Low42.6Very low109 Ų109152 Ų15271%0.70881%0.81SS**PPolyproline II helixtrans-85.2153.6168.634.7-33.9000113
705P51.7Low42.6Very low121 Ų121154.7 Ų154.779%0.78682%0.815SS**PPolyproline II helixtrans-80.4155.3178.233.3-35.5000113.3
706P50.6Low43.3Very low131 Ų131152.1 Ų152.185%0.85181%0.811SS**PPolyproline II helixtrans-78.4153.6-177.832.2-35.9000113.8
707Y41.7Very low44.2Very low234 Ų234151.8 Ų151.892%0.91881%0.814SS**PPolyproline II helixtrans-100.7133-179.7-147.7-93.9000110.5
708S42.3Very low44.4Very low112 Ų112150.7 Ų150.778%0.78381%0.805SS**  trans-128.289.8-178.464.10000113.8
709K42.5Very low44.8Very low195 Ų195158.7 Ų158.785%0.84883%0.826SS**  trans31.6111.8149.5-60.1-179.4-179.8-179.80118.3
710Q40.5Very low44.8Very low190 Ų190162 Ų16289%0.88883%0.83SS**  trans-65.3142.9154.8-65.4167.5-44.500110
711Q43.2Very low45.1Very low179 Ų179159.9 Ų159.984%0.83683%0.827SS**  trans-107.4103.9169.9-175.3171.1-100109.7V713Q711-V713 PolarHBondContact O-N 3.48Å
712T40.3Very low44.9Very low120 Ų120158.9 Ų158.974%0.73683%0.83SS**PPolyproline II helixtrans-72.3118.6172.5-53.20000109.3
713V42.2Very low45.3Very low111 Ų111156 Ų15667%0.67383%0.831SS**PPolyproline II helixtrans-95.7120168.4-179.90000108.1Q711Q711-V713 PolarHBondContact O-N 3.48Å
714F41.8Very low45.7Very low185 Ų185158.8 Ų158.881%0.81183%0.834SS**PPolyproline II helixtrans-73138.7172.8-118.4-106.4000109.8
715W43Very low45.2Very low236 Ų236162.1 Ų162.189%0.89484%0.842SS**  trans-88.7106.1161.8-7391.9000107.7
716D52Low44.7Very low151 Ų151165 Ų16581%0.80785%0.846SS**  trans-83.5151.1169.3-154.8-9.2000110.1
717T55Low44.3Very low128 Ų128167.6 Ų167.679%0.78585%0.846SS**  trans-126.1106.1-169.6-58.40000110.5
718A47.1Very low44.5Very low91 Ų91162.1 Ų162.175%0.75284%0.84SS**  trans-136.9100.917900000112
719I43.9Very low44.7Very low247 Ų247166.6 Ų166.6100%1.26785%0.845SS**  trans48.30154.2-47-179.5000116.1

Retrieved 719 of 719 residues in 157.1 ms (Link to these results)