PPR18_HUMAN Loading...

Phostensin

May target protein phosphatase 1 to F-actin cytoskeleton. May target protein phosphatase 1 to F-actin cytoskeleton.

AlphaFold DB , UniProt , Accession Q6NYC8, Species HUMAN (Homo sapiens, Human), Gene PPP1R18, Length 613 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
1M60.4Low87.4Confident238 Ų238117.1 Ų117.1100%1.17262%0.617SS**  0143.40-69.1178.4171.900108.4T3M1-T3 PolarHBondContact O-N 3.36Å
2A69.7Low88Confident105 Ų105113 Ų11387%0.86860%0.595SS**  trans-80.9102.5177.900000110.1
3T85.2Confident88.4Confident129 Ų129108.5 Ų108.579%0.79158%0.584SS**PPolyproline II helixtrans-70.4138.1174.641.90000110.4M1M1-T3 PolarHBondContact O-N 3.36Å
4I87.4Confident88.8Confident89 Ų89112.6 Ų112.646%0.45659%0.587SS.*PPolyproline II helixtrans-73.8125.4175.6-61.5176.4000107.6K8 L9I4-K8 HydrophobicContact CG2-CB 3.86Å; I4-K8 HydrophobicContact CG2-CD 4.05Å; I4-K8 HydrophobicContact CG2-CG 3.9Å; I4-L9 HydrophobicContact CB-CD2 4.08Å; I4-L9 HydrophobicContact CB-CG 4.46Å; I4-L9 HydrophobicContact CD1-CD2 4.46Å; I4-L9 HydrophobicContact CG2-CD2 3.71Å; I4-L9 HydrophobicContact CG2-CG 3.96Å
5P93.5Very high89.2Confident62 Ų62116.7 Ų116.740%0.40359%0.592SS.*PPolyproline II helixtrans-67.9144179.328.8-35.4000110.5W7 K8 L9P5-W7 VanDerWaalsContact C-N 3.32Å; P5-W7 HydrophobicContact CG-CZ2 4.49Å; P5-W7 PolarHBondContact O-N 2.91Å; P5-K8 HydrophobicContact CG-CB 4.21Å; P5-K8 WeakPolarHBondContact O-CB 3.41Å; P5-K8 PolarHBondContact O-N 3.14Å; P5-L9 PolarHBondContact O-N 3.28Å
6D90.6Very high89.4Confident98 Ų98120 Ų12052%0.52460%0.595SS.*Hα-helixtrans-56.7-39.7-167.7-17656.8000113.9K8 L9 Q10D6-K8 PolarHBondContact O-N 3.41Å; D6-L9 CarbonylContact O-C 3.26Å; D6-L9 WeakPolarHBondContact O-CA 3.35Å; D6-L9 WeakPolarHBondContact O-CB 3.18Å; D6-L9 PolarHBondContact O-N 3.37Å; D6-Q10 WeakPolarHBondContact O-CG 3.11Å; D6-Q10 PolarHBondContact O-N 3.35Å; D6-Q10 PolarHBondContact OD2-NE2 3.45Å
7W94.7Very high89.6Confident164 Ų164120.4 Ų120.462%0.62160%0.595SS**Hα-helixtrans-55.5-29.7175.672-99.2000113.5P5 L11P5-W7 VanDerWaalsContact C-N 3.32Å; P5-W7 HydrophobicContact CG-CZ2 4.49Å; P5-W7 PolarHBondContact O-N 2.91Å; W7-L11 HydrophobicContact CZ3-CD2 4.2Å; W7-L11 WeakPolarHBondContact O-CB 3.17Å; W7-L11 PolarHBondContact O-N 3.25Å
8K96.3Very high89.7Confident104 Ų104119.6 Ų119.645%0.45259%0.589SS.*Hα-helixtrans-80.5-28.1176.7-176.4170173.6-179.40111.8I4 P5 D6 L12I4-K8 HydrophobicContact CG2-CB 3.86Å; I4-K8 HydrophobicContact CG2-CD 4.05Å; I4-K8 HydrophobicContact CG2-CG 3.9Å; P5-K8 HydrophobicContact CG-CB 4.21Å; P5-K8 WeakPolarHBondContact O-CB 3.41Å; P5-K8 PolarHBondContact O-N 3.14Å; D6-K8 PolarHBondContact O-N 3.41Å; K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.13Å; K8-L12 PolarHBondContact O-N 3.43Å; K8-L12 VanDerWaalsContact O-N 3.15Å
9L94.1Very high89.7Confident83 Ų83119.9 Ų119.944%0.43559%0.589SS.*Hα-helixtrans-69.1-46.2167.3-59.5177.2000110.6I4 P5 D6 L11 L12 A13I4-L9 HydrophobicContact CB-CD2 4.08Å; I4-L9 HydrophobicContact CB-CG 4.46Å; I4-L9 HydrophobicContact CD1-CD2 4.46Å; I4-L9 HydrophobicContact CG2-CD2 3.71Å; I4-L9 HydrophobicContact CG2-CG 3.96Å; P5-L9 PolarHBondContact O-N 3.28Å; D6-L9 CarbonylContact O-C 3.26Å; D6-L9 WeakPolarHBondContact O-CA 3.35Å; D6-L9 WeakPolarHBondContact O-CB 3.18Å; D6-L9 PolarHBondContact O-N 3.37Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-A13 WeakPolarHBondContact O-CB 3.17Å; L9-A13 PolarHBondContact O-N 3.32Å
10Q95.2Very high89.8Confident119 Ų119116.8 Ų116.856%0.55658%0.583SS**Hα-helixtrans-58-44174.1-64.4-176.419.200111.9D6 L12 A13 R14D6-Q10 WeakPolarHBondContact O-CG 3.11Å; D6-Q10 PolarHBondContact O-N 3.35Å; D6-Q10 PolarHBondContact OD2-NE2 3.45Å; Q10-L12 PolarHBondContact O-N 3.45Å; Q10-A13 PolarHBondContact O-N 3.07Å; Q10-R14 WeakPolarHBondContact O-CB 3.38Å; Q10-R14 PolarHBondContact O-N 3.31Å
11L94.7Very high89.7Confident97 Ų97114 Ų11451%0.50858%0.575SS.*Hα-helixtrans-63.9-38.5177-175.761.6000112.4W7 L9 R15W7-L11 HydrophobicContact CZ3-CD2 4.2Å; W7-L11 WeakPolarHBondContact O-CB 3.17Å; W7-L11 PolarHBondContact O-N 3.25Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L11-R15 WeakPolarHBondContact O-CB 3.24Å; L11-R15 PolarHBondContact O-N 2.76Å
12L93.9Very high91Very high68 Ų68106.8 Ų106.836%0.35654%0.544SS..Hα-helixtrans-69.5-37.6173.9-73.6170.1000112.4K8 L9 Q10 R15 R16K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.13Å; K8-L12 PolarHBondContact O-N 3.43Å; K8-L12 VanDerWaalsContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.48Å; Q10-L12 PolarHBondContact O-N 3.45Å; L12-R15 PolarHBondContact O-N 3.37Å; L12-R16 WeakPolarHBondContact O-CG 3.21Å; L12-R16 PolarHBondContact O-N 2.92Å
13A93.3Very high91.8Very high54 Ų54109.4 Ų109.445%0.44653%0.531SS..Hα-helixtrans-64.4-46.8173.800000111.2L9 Q10 R15 R16 Q17L9-A13 WeakPolarHBondContact O-CB 3.17Å; L9-A13 PolarHBondContact O-N 3.32Å; Q10-A13 PolarHBondContact O-N 3.07Å; A13-R15 PolarHBondContact O-N 2.78Å; A13-R16 PolarHBondContact O-N 3.39Å; A13-Q17 PolarHBondContact O-N 3.03Å
14R94.7Very high91.9Very high166 Ų166105 Ų10563%0.62651%0.512SS*.Hα-helixtrans-58.1-47.3172.9178.6179.8163.5174.8-2.3111.4Q10 R16 Q17 E18Q10-R14 WeakPolarHBondContact O-CB 3.38Å; Q10-R14 PolarHBondContact O-N 3.31Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 2.96Å; R14-Q17 WeakPolarHBondContact O-CB 3.42Å; R14-Q17 PolarHBondContact O-N 2.91Å; R14-Q17 VanDerWaalsContact O-N 3.14Å; R14-E18 IonicContact NE-OE2 3.62Å; R14-E18 IonicContact NH2-OE2 2.68Å; R14-E18 WeakPolarHBondContact O-CB 3.47Å; R14-E18 PolarHBondContact O-N 2.77Å
15R94.5Very high91.8Very high175 Ų175109.9 Ų109.966%0.6653%0.525SS*.Hα-helixtrans-60.4-41.8178.8-175.2174.4176.5167.51.8112L11 L12 A13 E18 E19L11-R15 WeakPolarHBondContact O-CB 3.24Å; L11-R15 PolarHBondContact O-N 2.76Å; L12-R15 PolarHBondContact O-N 3.37Å; A13-R15 PolarHBondContact O-N 2.78Å; R15-E18 PolarHBondContact O-N 3.39Å; R15-E19 VanDerWaalsContact O-CB 3.27Å; R15-E19 WeakPolarHBondContact O-CB 3.38Å; R15-E19 PolarHBondContact O-N 3.29Å
16R92.9Very high91.5Very high169 Ų169110.5 Ų110.564%0.63852%0.522SS*.Hα-helixtrans-63.1-40.8173.6-72.8173.6-177.5131.1-4.8112.2L12 A13 R14 A20L12-R16 WeakPolarHBondContact O-CG 3.21Å; L12-R16 PolarHBondContact O-N 2.92Å; A13-R16 PolarHBondContact O-N 3.39Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 2.96Å; R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.28Å; R16-A20 PolarHBondContact O-N 3.33Å
17Q93Very high91.5Very high127 Ų127111.8 Ų111.859%0.59352%0.523SS*.Hα-helixtrans-66.8-38.7176.8-174.961.424.200112A13 R14 S21A13-Q17 PolarHBondContact O-N 3.03Å; R14-Q17 WeakPolarHBondContact O-CB 3.42Å; R14-Q17 PolarHBondContact O-N 2.91Å; R14-Q17 VanDerWaalsContact O-N 3.14Å; Q17-S21 WeakPolarHBondContact O-CB 3.32Å; Q17-S21 PolarHBondContact O-N 3.36Å; Q17-S21 PolarHBondContact O-OG 3.26Å
18E91Very high91.2Very high105 Ų105106.4 Ų106.449%0.49151%0.514SS..Hα-helixtrans-67.3-47.2176.7-167.2169149.500110.8R14 R15 A20 S21 V22R14-E18 IonicContact NE-OE2 3.62Å; R14-E18 IonicContact NH2-OE2 2.68Å; R14-E18 WeakPolarHBondContact O-CB 3.47Å; R14-E18 PolarHBondContact O-N 2.77Å; R15-E18 PolarHBondContact O-N 3.39Å; E18-A20 PolarHBondContact O-N 2.99Å; E18-S21 WeakPolarHBondContact O-CB 3.43Å; E18-S21 PolarHBondContact O-N 2.98Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E18-V22 WeakPolarHBondContact O-CG2 3.35Å; E18-V22 PolarHBondContact O-N 3.22Å
19E89.2Confident90.8Very high126 Ų126105.9 Ų105.959%0.58951%0.513SS*.Hα-helixtrans-60.1-44.1173.5-171.4-178150.100112R15 S21 V22 R23R15-E19 VanDerWaalsContact O-CB 3.27Å; R15-E19 WeakPolarHBondContact O-CB 3.38Å; R15-E19 PolarHBondContact O-N 3.29Å; E19-S21 VanDerWaalsContact C-N 3.31Å; E19-S21 PolarHBondContact O-N 3.24Å; E19-V22 PolarHBondContact O-N 3.26Å; E19-R23 VanDerWaalsContact O-CB 3.27Å; E19-R23 WeakPolarHBondContact O-CB 3.29Å; E19-R23 PolarHBondContact O-N 2.81Å
20A92.1Very high90.5Very high57 Ų57109 Ų10947%0.47152%0.519SS..Hα-helixtrans-62.6-36.9173.700000112.3R16 E18 G24R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.28Å; R16-A20 PolarHBondContact O-N 3.33Å; E18-A20 PolarHBondContact O-N 2.99Å; A20-G24 PolarHBondContact O-N 3.18Å
21S87Confident90.2Very high59 Ų59109.8 Ų109.841%0.41352%0.522SS..Hα-helixtrans-70.5-40.6177.1-59.30000112.2Q17 E18 E19 G24 R25Q17-S21 WeakPolarHBondContact O-CB 3.32Å; Q17-S21 PolarHBondContact O-N 3.36Å; Q17-S21 PolarHBondContact O-OG 3.26Å; E18-S21 WeakPolarHBondContact O-CB 3.43Å; E18-S21 PolarHBondContact O-N 2.98Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E19-S21 VanDerWaalsContact C-N 3.31Å; E19-S21 PolarHBondContact O-N 3.24Å; S21-G24 PolarHBondContact O-N 3.43Å; S21-R25 PolarHBondContact O-N 3.45Å
22V88.5Confident89.9Confident87 Ų87111.8 Ų111.853%0.52752%0.523SS..Hα-helixtrans-63.5-47.5172.6170.30000110.1E18 E19 G24 R25 E26E18-V22 WeakPolarHBondContact O-CG2 3.35Å; E18-V22 PolarHBondContact O-N 3.22Å; E19-V22 PolarHBondContact O-N 3.26Å; V22-G24 VanDerWaalsContact C-N 3.27Å; V22-G24 PolarHBondContact O-N 2.89Å; V22-R25 PolarHBondContact O-N 2.87Å; V22-R25 VanDerWaalsContact O-N 3.16Å; V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-E26 PolarHBondContact O-N 3.48Å
23R85.6Confident89.6Confident159 Ų159110.7 Ų110.760%0.652%0.517SS*.Hα-helixtrans-63.3-32.6176.8-159.7176.6-158.9-1474.9112.5E19 K27E19-R23 VanDerWaalsContact O-CB 3.27Å; E19-R23 WeakPolarHBondContact O-CB 3.29Å; E19-R23 PolarHBondContact O-N 2.81Å; R23-K27 WeakPolarHBondContact O-CB 3.39Å; R23-K27 VanDerWaalsContact O-CG 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.42Å; R23-K27 PolarHBondContact O-N 3.01Å
24G88.1Confident89.3Confident37 Ų37111.5 Ų111.538%0.38152%0.52SS..Hα-helixtrans-64.1-48.3171.100000112.3A20 S21 V22 K27 A28A20-G24 PolarHBondContact O-N 3.18Å; S21-G24 PolarHBondContact O-N 3.43Å; V22-G24 VanDerWaalsContact C-N 3.27Å; V22-G24 PolarHBondContact O-N 2.89Å; G24-K27 PolarHBondContact O-N 3.47Å; G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.92Å
25R85.1Confident89.2Confident192 Ų192111.7 Ų111.773%0.72553%0.528SS*.Hα-helixtrans-62.6-43.9174.6-73.2179177.4-111.71.8112.5S21 V22 K27 A28 E29S21-R25 PolarHBondContact O-N 3.45Å; V22-R25 PolarHBondContact O-N 2.87Å; V22-R25 VanDerWaalsContact O-N 3.16Å; R25-K27 PolarHBondContact O-N 2.71Å; R25-A28 PolarHBondContact O-N 2.8Å; R25-E29 PolarHBondContact O-N 3.31Å
26E86.4Confident89Confident74 Ų74104.3 Ų104.335%0.34650%0.501SS..Hα-helixtrans-61.5-43.1178.2-168.9-156.5-159.100111.5V22 E29 R30V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-E26 PolarHBondContact O-N 3.48Å; E26-E29 PolarHBondContact O-N 3.21Å; E26-R30 VanDerWaalsContact CD-CZ 3.47Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.91Å; E26-R30 IonicContact OE1-CZ 3.11Å; E26-R30 IonicContact OE1-NH1 2.9Å; E26-R30 PolarHBondContact OE1-NH1 3.08Å; E26-R30 IonicContact OE1-NH2 2.68Å; E26-R30 PolarHBondContact OE1-NH2 3.5Å; E26-R30 IonicContact OE2-CZ 3.83Å; E26-R30 IonicContact OE2-NH1 2.89Å; E26-R30 PolarHBondContact OE2-NH1 3.2Å
27K90.6Very high88.9Confident125 Ų12599.5 Ų99.554%0.54349%0.492SS..Hα-helixtrans-61.2-48.7172-78.2176.6173.7-167.40111.9R23 G24 R25 E29 R30 E31R23-K27 WeakPolarHBondContact O-CB 3.39Å; R23-K27 VanDerWaalsContact O-CG 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.42Å; R23-K27 PolarHBondContact O-N 3.01Å; G24-K27 PolarHBondContact O-N 3.47Å; R25-K27 PolarHBondContact O-N 2.71Å; K27-E29 VanDerWaalsContact C-N 3.32Å; K27-E29 PolarHBondContact O-N 2.89Å; K27-R30 PolarHBondContact O-N 2.92Å; K27-R30 VanDerWaalsContact O-N 3.13Å; K27-E31 WeakPolarHBondContact O-CB 3.37Å; K27-E31 PolarHBondContact O-N 2.93Å
28A89.3Confident88.8Confident52 Ų5296.9 Ų96.943%0.4349%0.491SS..Hα-helixtrans-63.3-34.7178.700000112.6G24 R25 R32G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.92Å; R25-A28 PolarHBondContact O-N 2.8Å; A28-R32 WeakPolarHBondContact O-CB 3.41Å; A28-R32 PolarHBondContact O-N 3.2Å
29E86.7Confident88.9Confident92 Ų92100.2 Ų100.243%0.4350%0.5SS..Hα-helixtrans-68.3-41.4170.8-85.5-159-131.800112.4R25 E26 K27 L33 R48R25-E29 PolarHBondContact O-N 3.31Å; E26-E29 PolarHBondContact O-N 3.21Å; K27-E29 VanDerWaalsContact C-N 3.32Å; K27-E29 PolarHBondContact O-N 2.89Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 WeakPolarHBondContact O-CG 3.34Å; E29-L33 PolarHBondContact O-N 3.46Å; E29-R48 IonicContact OE2-CZ 2.6Å; E29-R48 IonicContact OE2-NH1 3.95Å; E29-R48 PolarHBondContact OE2-NH1 3.48Å; E29-R48 IonicContact OE2-NH2 3.91Å; E29-R48 PolarHBondContact OE2-NH2 2.94Å
30R88Confident89.2Confident149 Ų14998.6 Ų98.656%0.56249%0.491SS*.Hα-helixtrans-63.4-41.8174.9-77.6-176176.912210.8112.3E26 K27 L33 S34E26-R30 VanDerWaalsContact CD-CZ 3.47Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.91Å; E26-R30 IonicContact OE1-CZ 3.11Å; E26-R30 IonicContact OE1-NH1 2.9Å; E26-R30 PolarHBondContact OE1-NH1 3.08Å; E26-R30 IonicContact OE1-NH2 2.68Å; E26-R30 PolarHBondContact OE1-NH2 3.5Å; E26-R30 IonicContact OE2-CZ 3.83Å; E26-R30 IonicContact OE2-NH1 2.89Å; E26-R30 PolarHBondContact OE2-NH1 3.2Å; K27-R30 PolarHBondContact O-N 2.92Å; K27-R30 VanDerWaalsContact O-N 3.13Å; R30-L33 PolarHBondContact O-N 2.88Å; R30-S34 PolarHBondContact O-N 3.36Å
31E89.4Confident89.2Confident135 Ų135100.9 Ų100.963%0.63149%0.487SS*.Hα-helixtrans-66.2-47.1176-177.2176.6-17000111.6K27 L33 S34 Q35K27-E31 WeakPolarHBondContact O-CB 3.37Å; K27-E31 PolarHBondContact O-N 2.93Å; E31-L33 PolarHBondContact O-N 2.97Å; E31-S34 WeakPolarHBondContact CA-OG 3.29Å; E31-S34 PolarHBondContact O-N 3.11Å; E31-S34 VanDerWaalsContact O-N 3.08Å; E31-S34 PolarHBondContact O-OG 3.17Å; E31-Q35 PolarHBondContact O-N 3.1Å
32R88.7Confident89.3Confident140 Ų14098.7 Ų98.753%0.52847%0.474SS..Hα-helixtrans-59.5-34.3173-174.9-173.7172.1-73.11112A28 M36A28-R32 WeakPolarHBondContact O-CB 3.41Å; A28-R32 PolarHBondContact O-N 3.2Å; R32-M36 VanDerWaalsContact O-CG 3.23Å; R32-M36 WeakPolarHBondContact O-CG 3.44Å
33L87.3Confident89.5Confident45 Ų4597.1 Ų97.124%0.23646%0.462CS..Hα-helixtrans-74.1-38.3173.3-73.7168.9000112E29 R30 E31 M36 R41E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 WeakPolarHBondContact O-CG 3.34Å; E29-L33 PolarHBondContact O-N 3.46Å; R30-L33 PolarHBondContact O-N 2.88Å; E31-L33 PolarHBondContact O-N 2.97Å; L33-M36 HydrophobicContact CD2-SD 4.35Å; L33-M36 WeakPolarHBondContact O-CB 3.36Å; L33-M36 PolarHBondContact O-N 3.46Å; L33-R41 VanDerWaalsContact O-CD 3.26Å; L33-R41 WeakPolarHBondContact O-CD 3.23Å; L33-R41 VanDerWaalsContact O-CG 3.23Å; L33-R41 WeakPolarHBondContact O-CG 3.42Å; L33-R41 PolarHBondContact O-NE 3.15Å
34S87.6Confident89.6Confident71 Ų7191.4 Ų91.450%0.49744%0.443SS..Hα-helixtrans-68.5-34.8177.670.50000112.3R30 E31 M36 R41R30-S34 PolarHBondContact O-N 3.36Å; E31-S34 WeakPolarHBondContact CA-OG 3.29Å; E31-S34 PolarHBondContact O-N 3.11Å; E31-S34 VanDerWaalsContact O-N 3.08Å; E31-S34 PolarHBondContact O-OG 3.17Å; S34-M36 PolarHBondContact O-N 3.2Å; S34-R41 PolarHBondContact O-NH2 2.88Å
35Q92Very high89.6Confident169 Ų16995.8 Ų95.879%0.7945%0.454SS*.Hα-helixtrans-63.6-25.1171.9-162.1-172.130.600112.9E31E31-Q35 PolarHBondContact O-N 3.1Å
36M90.8Very high89.8Confident21 Ų2193.7 Ų93.710%0.10345%0.446CS..SBendtrans-79.6140.1178-67.8169.168.600111.3R32 L33 S34 K40 R41 L44R32-M36 VanDerWaalsContact O-CG 3.23Å; R32-M36 WeakPolarHBondContact O-CG 3.44Å; L33-M36 HydrophobicContact CD2-SD 4.35Å; L33-M36 WeakPolarHBondContact O-CB 3.36Å; L33-M36 PolarHBondContact O-N 3.46Å; S34-M36 PolarHBondContact O-N 3.2Å; M36-K40 HydrophobicContact CE-CB 4.35Å; M36-K40 HydrophobicContact CE-CD 3.75Å; M36-K40 HydrophobicContact CE-CG 3.65Å; M36-R41 HydrophobicContact CB-CG 4.25Å; M36-R41 WeakPolarHBondContact O-CG 3.37Å; M36-R41 PolarHBondContact O-NE 3.32Å; M36-R41 PolarHBondContact O-NH2 2.85Å; M36-L44 HydrophobicContact CE-CD1 3.66Å; M36-L44 HydrophobicContact CE-CD2 3.84Å; M36-L44 HydrophobicContact CE-CG 4.35Å
37P91.1Very high90Very high68 Ų6897 Ų9744%0.44246%0.455SS..  trans-56.6148.3174.2-28.235.8000113.3W39 K40 R41P37-W39 VanDerWaalsContact C-N 3.32Å; P37-W39 PolarHBondContact O-N 3.5Å; P37-K40 WeakPolarHBondContact O-CA 3.27Å; P37-K40 VanDerWaalsContact O-CB 3.27Å; P37-K40 WeakPolarHBondContact O-CB 3.38Å; P37-K40 PolarHBondContact O-N 3.33Å; P37-R41 PolarHBondContact O-N 3.37Å
38A90.4Very high89.8Confident71 Ų7194.7 Ų94.759%0.58744%0.443SS*.Hα-helixtrans-54.7-41.4-172.600000114K40 R41 G42A38-K40 VanDerWaalsContact C-N 3.25Å; A38-K40 PolarHBondContact O-N 2.84Å; A38-R41 WeakPolarHBondContact O-CB 3.27Å; A38-R41 PolarHBondContact O-N 2.98Å; A38-G42 PolarHBondContact O-N 2.74Å
39W92.7Very high89.5Confident175 Ų17595.9 Ų95.966%0.66345%0.453SS*.Hα-helixtrans-60.8-35.4175.872.2-100.3000112.5P37 L43P37-W39 VanDerWaalsContact C-N 3.32Å; P37-W39 PolarHBondContact O-N 3.5Å; W39-L43 HydrophobicContact CZ3-CD2 4.24Å; W39-L43 VanDerWaalsContact O-CB 3.3Å; W39-L43 WeakPolarHBondContact O-CB 3.26Å; W39-L43 PolarHBondContact O-N 2.85Å
40K95.4Very high89.4Confident92 Ų92100.1 Ų100.140%0.447%0.47SS..Hα-helixtrans-76.2-38.3179.3-155.3179.8-177175.90110.7M36 P37 A38 L43 L44M36-K40 HydrophobicContact CE-CB 4.35Å; M36-K40 HydrophobicContact CE-CD 3.75Å; M36-K40 HydrophobicContact CE-CG 3.65Å; P37-K40 WeakPolarHBondContact O-CA 3.27Å; P37-K40 VanDerWaalsContact O-CB 3.27Å; P37-K40 WeakPolarHBondContact O-CB 3.38Å; P37-K40 PolarHBondContact O-N 3.33Å; A38-K40 VanDerWaalsContact C-N 3.25Å; A38-K40 PolarHBondContact O-N 2.84Å; K40-L43 PolarHBondContact O-N 2.82Å; K40-L44 HydrophobicContact CG-CD1 4.46Å; K40-L44 VanDerWaalsContact O-CD1 3.26Å; K40-L44 WeakPolarHBondContact O-CD1 3.48Å; K40-L44 PolarHBondContact O-N 3.29Å
41R93Very high88.7Confident106 Ų10699.1 Ų99.140%0.448%0.475SS..Hα-helixtrans-56.6-57.8169.4-59.3-177.7-158.9152.86.2110.5L33 S34 M36 P37 A38 L43 L44 E45L33-R41 VanDerWaalsContact O-CD 3.26Å; L33-R41 WeakPolarHBondContact O-CD 3.23Å; L33-R41 VanDerWaalsContact O-CG 3.23Å; L33-R41 WeakPolarHBondContact O-CG 3.42Å; L33-R41 PolarHBondContact O-NE 3.15Å; S34-R41 PolarHBondContact O-NH2 2.88Å; M36-R41 HydrophobicContact CB-CG 4.25Å; M36-R41 WeakPolarHBondContact O-CG 3.37Å; M36-R41 PolarHBondContact O-NE 3.32Å; M36-R41 PolarHBondContact O-NH2 2.85Å; P37-R41 PolarHBondContact O-N 3.37Å; A38-R41 WeakPolarHBondContact O-CB 3.27Å; A38-R41 PolarHBondContact O-N 2.98Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.7Å; R41-L44 CarbonylContact O-C 3.56Å; R41-L44 PolarHBondContact O-N 3.39Å; R41-E45 WeakPolarHBondContact O-CB 3.3Å; R41-E45 PolarHBondContact O-N 2.96Å
42G89.7Confident87.3Confident12 Ų1295.8 Ų95.812%0.12448%0.477CS..Hα-helixtrans-62.7-30-179.300000113.6A38 R46A38-G42 PolarHBondContact O-N 2.74Å; G42-R46 VanDerWaalsContact O-CB 3.32Å; G42-R46 WeakPolarHBondContact O-CB 3.42Å; G42-R46 VanDerWaalsContact O-CG 3.24Å; G42-R46 WeakPolarHBondContact O-CG 3.4Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 PolarHBondContact O-NE 2.83Å
43L90.9Very high85.8Confident54 Ų5494.2 Ų94.228%0.28348%0.479SS..Hα-helixtrans-70.2-38.1171.7-177.461000112.5W39 K40 R41 R47W39-L43 HydrophobicContact CZ3-CD2 4.24Å; W39-L43 VanDerWaalsContact O-CB 3.3Å; W39-L43 WeakPolarHBondContact O-CB 3.26Å; W39-L43 PolarHBondContact O-N 2.85Å; K40-L43 PolarHBondContact O-N 2.82Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.7Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.32Å; L43-R47 VanDerWaalsContact O-N 3.14Å
44L87.8Confident84Confident40 Ų4095.8 Ų95.821%0.20949%0.494CS..Hα-helixtrans-70-40173.1-95.778.2000111.9M36 K40 R41 R47 R48M36-L44 HydrophobicContact CE-CD1 3.66Å; M36-L44 HydrophobicContact CE-CD2 3.84Å; M36-L44 HydrophobicContact CE-CG 4.35Å; K40-L44 HydrophobicContact CG-CD1 4.46Å; K40-L44 VanDerWaalsContact O-CD1 3.26Å; K40-L44 WeakPolarHBondContact O-CD1 3.48Å; K40-L44 PolarHBondContact O-N 3.29Å; R41-L44 CarbonylContact O-C 3.56Å; R41-L44 PolarHBondContact O-N 3.39Å; L44-R47 CarbonylContact O-C 3.6Å; L44-R47 WeakPolarHBondContact O-CA 3.39Å; L44-R47 WeakPolarHBondContact O-CB 3.31Å; L44-R47 PolarHBondContact O-N 3.27Å; L44-R48 WeakPolarHBondContact O-CG 3.42Å; L44-R48 PolarHBondContact O-N 3.39Å
45E88.2Confident82.2Confident129 Ų12997.3 Ų97.360%0.60350%0.502SS*.Hα-helixtrans-61.8-48.6176.4-175.8172.3-145.500111.3R41 R47 R48 A49R41-E45 WeakPolarHBondContact O-CB 3.3Å; R41-E45 PolarHBondContact O-N 2.96Å; E45-R47 PolarHBondContact O-N 3.14Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.15Å; E45-A49 WeakPolarHBondContact O-CB 3.43Å; E45-A49 PolarHBondContact O-N 2.86Å
46R89.8Confident80.1Confident148 Ų14892.4 Ų92.456%0.55850%0.497SS*.Hα-helixtrans-60.4-23.8171-72.1-176.2-63-102.45.4113.4G42 K50G42-R46 VanDerWaalsContact O-CB 3.32Å; G42-R46 WeakPolarHBondContact O-CB 3.42Å; G42-R46 VanDerWaalsContact O-CG 3.24Å; G42-R46 WeakPolarHBondContact O-CG 3.4Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 PolarHBondContact O-NE 2.83Å; R46-K50 VanDerWaalsContact O-CB 3.31Å; R46-K50 WeakPolarHBondContact O-CB 3.33Å; R46-K50 WeakPolarHBondContact O-CD 3.3Å; R46-K50 WeakPolarHBondContact O-CG 3.45Å; R46-K50 PolarHBondContact O-N 3.3Å
47R90.6Very high77.6Confident144 Ų14498.1 Ų98.154%0.54352%0.523SS..Hα-helixtrans-81.8-42.5172.2-76169178.1174.50112.1L43 L44 E45 K50 L51L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.32Å; L43-R47 VanDerWaalsContact O-N 3.14Å; L44-R47 CarbonylContact O-C 3.6Å; L44-R47 WeakPolarHBondContact O-CA 3.39Å; L44-R47 WeakPolarHBondContact O-CB 3.31Å; L44-R47 PolarHBondContact O-N 3.27Å; E45-R47 PolarHBondContact O-N 3.14Å; R47-K50 PolarHBondContact O-N 3.48Å; R47-L51 WeakPolarHBondContact O-CB 3.46Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.27Å; R47-L51 PolarHBondContact O-N 3.32Å
48R86.2Confident75.5Confident75 Ų7599.7 Ų99.728%0.28353%0.534SS..Hα-helixtrans-57.7-51.4174.3-74.8-169.9-171-137.25.5110.2E29 L44 E45 K50 L51 G52 L53E29-R48 IonicContact OE2-CZ 2.6Å; E29-R48 IonicContact OE2-NH1 3.95Å; E29-R48 PolarHBondContact OE2-NH1 3.48Å; E29-R48 IonicContact OE2-NH2 3.91Å; E29-R48 PolarHBondContact OE2-NH2 2.94Å; L44-R48 WeakPolarHBondContact O-CG 3.42Å; L44-R48 PolarHBondContact O-N 3.39Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.15Å; R48-K50 PolarHBondContact O-N 3.17Å; R48-L51 CarbonylContact O-C 3.51Å; R48-L51 PolarHBondContact O-N 3.28Å; R48-G52 PolarHBondContact O-N 3.13Å; R48-L53 HydrophobicContact CB-CB 4.4Å; R48-L53 PolarHBondContact O-N 2.97Å
49A83Confident72.9Confident78 Ų78101.6 Ų101.665%0.64554%0.542SS*.Hα-helixtrans-59-42175.500000113.3E45 L51 G52E45-A49 WeakPolarHBondContact O-CB 3.43Å; E45-A49 PolarHBondContact O-N 2.86Å; A49-L51 PolarHBondContact O-N 3.43Å; A49-G52 PolarHBondContact O-N 3.34Å
50K85.7Confident70.5Confident181 Ų18198 Ų9879%0.78754%0.542SS*.Hα-helixtrans-69.2-16.2176-79.1178.3-179.7-169.80114.6R46 R47 R48R46-K50 VanDerWaalsContact O-CB 3.31Å; R46-K50 WeakPolarHBondContact O-CB 3.33Å; R46-K50 WeakPolarHBondContact O-CD 3.3Å; R46-K50 WeakPolarHBondContact O-CG 3.45Å; R46-K50 PolarHBondContact O-N 3.3Å; R47-K50 PolarHBondContact O-N 3.48Å; R48-K50 PolarHBondContact O-N 3.17Å
51L71.8Confident67.9Low127 Ų127100.1 Ų100.167%0.66556%0.562SS**THydrogen-bonded Turntrans-102.36.3176.6-68.1170.6000112.6R47 R48 A49 L53R47-L51 WeakPolarHBondContact O-CB 3.46Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.27Å; R47-L51 PolarHBondContact O-N 3.32Å; R48-L51 CarbonylContact O-C 3.51Å; R48-L51 PolarHBondContact O-N 3.28Å; A49-L51 PolarHBondContact O-N 3.43Å; L51-L53 HydrophobicContact CB-CD1 4.2Å; L51-L53 HydrophobicContact CB-CG 4.08Å; L51-L53 PolarHBondContact O-N 2.99Å
52G60Low65.4Low66 Ų66103.6 Ų103.668%0.6859%0.587SS**THydrogen-bonded Turntrans69.57.4-175.300000114.5R48 A49 S54R48-G52 PolarHBondContact O-N 3.13Å; A49-G52 PolarHBondContact O-N 3.34Å; G52-S54 PolarHBondContact O-N 3.1Å
53L58Low63.1Low106 Ų106105.8 Ų105.856%0.55561%0.611SS**  trans-8383.9-177.2-63.1179000110.3R48 L51R48-L53 HydrophobicContact CB-CB 4.4Å; R48-L53 PolarHBondContact O-N 2.97Å; L51-L53 HydrophobicContact CB-CD1 4.2Å; L51-L53 HydrophobicContact CB-CG 4.08Å; L51-L53 PolarHBondContact O-N 2.99Å
54S49.5Very low60.5Low79 Ų79109.6 Ų109.655%0.55264%0.636SS**  trans-53.2128.1173.2-173.90000111.3G52 G56G52-S54 PolarHBondContact O-N 3.1Å; S54-G56 PolarHBondContact O-N 3.36Å
55P49.1Very low58.3Low102 Ų102113.9 Ų113.966%0.66266%0.664SS**THydrogen-bonded Turntrans-80.382.5-177.733.2-35000111.5
56G49.5Very low56.3Low67 Ų67115.9 Ų115.969%0.69167%0.673SS**THydrogen-bonded Turntrans148.7-5.9169.200000116.5S54 P58S54-G56 PolarHBondContact O-N 3.36Å; G56-P58 WeakPolarHBondContact O-CD 3.41Å
57E38.3Very low53.8Low141 Ų141112.8 Ų112.866%0.65968%0.679SS**  trans-87.4117.7-178.1-160169.3-172.200111.1
58P45.3Very low52Low101 Ų101108.9 Ų108.966%0.65668%0.683SS**  trans-70.3133.3170.530.1-32.4000109.1G56 P60G56-P58 WeakPolarHBondContact O-CD 3.41Å; P58-P60 VanDerWaalsContact O-N 3.09Å
59S37Very low50.6Low110 Ų110111.7 Ų111.777%0.76971%0.711SS**  trans-25.6109.4175.1174.80000112.9V61S59-V61 PolarHBondContact O-N 3.25Å
60P41.6Very low49.3Very low101 Ų101113 Ų11366%0.65671%0.713SS**  trans-62.1115.4-17423.1-33000109.9P58 L62P58-P60 VanDerWaalsContact O-N 3.09Å; P60-L62 PolarHBondContact O-N 2.79Å; P60-L62 VanDerWaalsContact O-N 3.17Å
61V40.5Very low47.8Very low136 Ų136108.5 Ų108.582%0.82470%0.698SS**  trans-63.9116.1171.1173.20000107S59 G63S59-V61 PolarHBondContact O-N 3.25Å; V61-G63 PolarHBondContact O-N 3.08Å
62L41.2Very low47.2Very low178 Ų178107.1 Ų107.193%0.93270%0.697SS**SBendtrans-56.2106.5-180-71.9168000110.5P60P60-L62 PolarHBondContact O-N 2.79Å; P60-L62 VanDerWaalsContact O-N 3.17Å
63G40.6Very low47.1Very low59 Ų59108.2 Ų108.261%0.60869%0.687SS**  trans175.8116.8177.200000115.3V61V61-G63 PolarHBondContact O-N 3.08Å
64T37.7Very low47Very low133 Ų133110.1 Ų110.182%0.81669%0.693SS**  trans87.993.2155.7-34.70000117.9
65V41.5Very low47.4Very low131 Ų131108.5 Ų108.579%0.79468%0.682SS**  trans71.5134139.7179.70000115.7
66E44.9Very low47.8Very low171 Ų171105.7 Ų105.780%0.79967%0.667SS**  cis-150.3-178.729.4-141.9-116.411200113.8
67A37.7Very low48.1Very low83 Ų83106.3 Ų106.369%0.68666%0.657SS**SBendtrans48.988.5156.600000120.5
68G52.3Low49.3Very low61 Ų61106.9 Ų106.963%0.62966%0.664SS**  trans149.2128.6154.400000113.8P70G68-P70 VanDerWaalsContact O-CD 3.24Å; G68-P70 WeakPolarHBondContact O-CD 2.98Å
69P56.9Low49.9Very low134 Ų134108.7 Ų108.787%0.8767%0.667SS**  trans-74.8114.5172.429.5-31.1000109.7
70P55.2Low50.9Low105 Ų105106.5 Ų106.568%0.68265%0.645SS**  trans-74.5140.417432.3-33.5000109.7G68G68-P70 VanDerWaalsContact O-CD 3.24Å; G68-P70 WeakPolarHBondContact O-CD 2.98Å
71D54.3Low51.9Low87 Ų87105.8 Ų105.847%0.46565%0.647SS.*  trans-64.5126.6174.4-165.3-57.1000109.6D73 E74 S75D71-D73 PolarHBondContact O-N 3.37Å; D71-D73 PolarHBondContact OD1-N 3.49Å; D71-E74 HydrophobicContact CB-CB 4.42Å; D71-E74 HydrophobicContact CB-CG 4.12Å; D71-E74 PolarHBondContact O-N 2.95Å; D71-S75 PolarHBondContact O-N 3.29Å; D71-S75 PolarHBondContact O-OG 3.33Å
72P59.6Low53.1Low99 Ų99107.9 Ų107.964%0.64365%0.652SS**Hα-helixtrans-64.7-22.8-176.126-35.2000113.4A76P72-A76 WeakPolarHBondContact O-CB 3.05Å; P72-A76 PolarHBondContact O-N 2.96Å
73D58.2Low54.5Low88 Ų88101.2 Ų101.247%0.47163%0.626SS.*Hα-helixtrans-82.9-30.5177.7-89.9-39.9000113D71 R89D71-D73 PolarHBondContact O-N 3.37Å; D71-D73 PolarHBondContact OD1-N 3.49Å; D73-R89 IonicContact OD1-CZ 3.05Å; D73-R89 IonicContact OD1-NH1 3.38Å; D73-R89 PolarHBondContact OD1-NH1 2.84Å; D73-R89 IonicContact OD1-NH2 2.72Å; D73-R89 PolarHBondContact OD1-NH2 3.39Å; D73-R89 IonicContact OD2-NH2 2.73Å
74E55.9Low56.3Low147 Ų147102 Ų10269%0.68762%0.62SS**Hα-helixtrans-67.2-46176.8-70.8-168.9-175.500112.1D71 V77D71-E74 HydrophobicContact CB-CB 4.42Å; D71-E74 HydrophobicContact CB-CG 4.12Å; D71-E74 PolarHBondContact O-N 2.95Å; E74-V77 PolarHBondContact O-N 3.09Å
75S58.4Low58.2Low45 Ų45100.1 Ų100.132%0.31561%0.609SS.*Hα-helixtrans-70.9-30.4-179.453.70000112.9D71 V77 L78 L79D71-S75 PolarHBondContact O-N 3.29Å; D71-S75 PolarHBondContact O-OG 3.33Å; S75-V77 VanDerWaalsContact C-N 3.33Å; S75-V77 PolarHBondContact O-N 3.32Å; S75-L78 PolarHBondContact O-N 3.19Å; S75-L79 WeakPolarHBondContact O-CB 3.36Å; S75-L79 WeakPolarHBondContact O-CG 3.49Å; S75-L79 PolarHBondContact O-N 2.9Å
76A56.1Low59.9Low42 Ų42100.3 Ų100.335%0.34760%0.601SS.*Hα-helixtrans-64.6-31.8176.400000113.7P72P72-A76 WeakPolarHBondContact O-CB 3.05Å; P72-A76 PolarHBondContact O-N 2.96Å
77V57.4Low61.7Low80 Ų8098.6 Ų98.649%0.48559%0.592SS.*Hα-helixtrans-76.5-30.2178.5177.20000111.9E74 S75 F90E74-V77 PolarHBondContact O-N 3.09Å; S75-V77 VanDerWaalsContact C-N 3.33Å; S75-V77 PolarHBondContact O-N 3.32Å; V77-F90 HydrophobicContact CG2-CZ 4.27Å
78L61.9Low63.8Low154 Ų15496.7 Ų96.781%0.80657%0.571SS**Hα-helixtrans-85.7-22.5178.3-64.6175.5000113.5S75S75-L78 PolarHBondContact O-N 3.19Å
79L58.6Low65.4Low139 Ų13998.7 Ų98.773%0.72856%0.559SS**SBendtrans-937.8176.7-71.2170.1000114S75 A81S75-L79 WeakPolarHBondContact O-CB 3.36Å; S75-L79 WeakPolarHBondContact O-CG 3.49Å; S75-L79 PolarHBondContact O-N 2.9Å; L79-A81 PolarHBondContact O-N 3.12Å
80E59.1Low66.7Low64 Ų6497.4 Ų97.430%0.29954%0.54SS..  trans-73.876.3176.5-166164.8-127.600111.4N88 R89 F90E80-N88 VanDerWaalsContact OE1-CA 3.3Å; E80-N88 WeakPolarHBondContact OE1-CA 3.39Å; E80-N88 VanDerWaalsContact OE1-CG 3.3Å; E80-N88 PolarHBondContact OE1-ND2 3.15Å; E80-N88 PolarHBondContact OE2-ND2 3.18Å; E80-R89 PolarHBondContact OE1-N 3.41Å; E80-F90 WeakPolarHBondContact OE2-CD2 3.43Å
81A62.1Low68Low85 Ų8594.6 Ų94.670%0.70252%0.519SS*.  trans-55149.6170.600000111L79 G83L79-A81 PolarHBondContact O-N 3.12Å; A81-G83 PolarHBondContact O-N 3.31Å
82I64.4Low69.6Low181 Ų18198.3 Ų98.393%0.92853%0.526SS*.  trans-74.969-174-47.7174.6000110.7
83G71.8Confident71.1Confident37 Ų3798 Ų9838%0.38152%0.516SS..  trans-73.3175.1167.400000111.9A81 V85A81-G83 PolarHBondContact O-N 3.31Å; G83-V85 PolarHBondContact O-N 3.27Å
84P78.2Confident72.5Confident76 Ų7698.3 Ų98.349%0.49452%0.515SS..  trans-50.8133.3172.5-26.234.1000111.4H86 Q87P84-H86 PolarHBondContact O-N 3.22Å; P84-Q87 WeakPolarHBondContact O-CB 3.35Å; P84-Q87 PolarHBondContact O-N 2.92Å
85V77Confident74.2Confident94 Ų9497.8 Ų97.857%0.5751%0.507SS*.G310 helixtrans-47-33.8-172.6178.30000113.5G83 Q87 N88 I91G83-V85 PolarHBondContact O-N 3.27Å; V85-Q87 VanDerWaalsContact C-N 3.27Å; V85-Q87 PolarHBondContact O-N 3.18Å; V85-N88 WeakPolarHBondContact O-CB 3.3Å; V85-N88 PolarHBondContact O-N 2.94Å; V85-I91 HydrophobicContact CG1-CD1 3.84Å; V85-I91 HydrophobicContact CG1-CG1 3.78Å; V85-I91 HydrophobicContact CG1-CG2 4.19Å; V85-I91 VanDerWaalsContact O-CB 3.3Å; V85-I91 WeakPolarHBondContact O-CB 3.4Å; V85-I91 WeakPolarHBondContact O-CG1 3.36Å; V85-I91 WeakPolarHBondContact O-CG2 3.11Å
86H77.9Confident75.7Confident135 Ų135101.2 Ų101.263%0.62552%0.518SS*.G310 helixtrans-64.9-19.7177.3-46.4111.6000115.7P84 R92P84-H86 PolarHBondContact O-N 3.22Å; H86-R92 WeakPolarHBondContact O-CG 3.39Å
87Q82Confident77.4Confident134 Ų134104.7 Ų104.763%0.62653%0.527SS*.G310 helixtrans-87.7-26.5-179.5-63.1-177-6.900112.7P84 V85P84-Q87 WeakPolarHBondContact O-CB 3.35Å; P84-Q87 PolarHBondContact O-N 2.92Å; V85-Q87 VanDerWaalsContact C-N 3.27Å; V85-Q87 PolarHBondContact O-N 3.18Å
88N82.7Confident79Confident44 Ų44105 Ų10524%0.23552%0.523CS..  trans-55.1133.8-178.2176.7-73.3000111.7E80 V85 F90 I91 R92E80-N88 VanDerWaalsContact OE1-CA 3.3Å; E80-N88 WeakPolarHBondContact OE1-CA 3.39Å; E80-N88 VanDerWaalsContact OE1-CG 3.3Å; E80-N88 PolarHBondContact OE1-ND2 3.15Å; E80-N88 PolarHBondContact OE2-ND2 3.18Å; V85-N88 WeakPolarHBondContact O-CB 3.3Å; V85-N88 PolarHBondContact O-N 2.94Å; N88-F90 VanDerWaalsContact C-N 3.35Å; N88-F90 PolarHBondContact O-N 3Å; N88-F90 WeakPolarHBondContact OD1-CA 3.19Å; N88-F90 VanDerWaalsContact OD1-CB 3.31Å; N88-F90 WeakPolarHBondContact OD1-CB 3.38Å; N88-F90 PolarHBondContact OD1-N 3.43Å; N88-I91 HydrophobicContact CB-CB 4.11Å; N88-I91 HydrophobicContact CB-CG1 3.91Å; N88-I91 PolarHBondContact O-N 3.4Å; N88-I91 PolarHBondContact OD1-N 3.29Å; N88-R92 WeakPolarHBondContact O-CG 3.49Å; N88-R92 PolarHBondContact O-N 2.73Å
89R85.8Confident80.4Confident102 Ų102102.6 Ų102.639%0.38551%0.508SS..Hα-helixtrans-61.2-43-175.6-176.4176.5177.9-178-2.3111.1D73 E80 R92 Q93D73-R89 IonicContact OD1-CZ 3.05Å; D73-R89 IonicContact OD1-NH1 3.38Å; D73-R89 PolarHBondContact OD1-NH1 2.84Å; D73-R89 IonicContact OD1-NH2 2.72Å; D73-R89 PolarHBondContact OD1-NH2 3.39Å; D73-R89 IonicContact OD2-NH2 2.73Å; E80-R89 PolarHBondContact OE1-N 3.41Å; R89-R92 PolarHBondContact O-N 2.96Å; R89-Q93 WeakPolarHBondContact O-CB 3.13Å; R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.3Å; R89-Q93 PolarHBondContact O-N 2.81Å
90F83.6Confident82Confident107 Ų107101 Ų10147%0.46950%0.496SS..Hα-helixtrans-67-42.4177.7-58.3-85.1000111.9V77 E80 N88 R92 Q93 E94V77-F90 HydrophobicContact CG2-CZ 4.27Å; E80-F90 WeakPolarHBondContact OE2-CD2 3.43Å; N88-F90 VanDerWaalsContact C-N 3.35Å; N88-F90 PolarHBondContact O-N 3Å; N88-F90 WeakPolarHBondContact OD1-CA 3.19Å; N88-F90 VanDerWaalsContact OD1-CB 3.31Å; N88-F90 WeakPolarHBondContact OD1-CB 3.38Å; N88-F90 PolarHBondContact OD1-N 3.43Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.28Å; F90-Q93 PolarHBondContact O-N 2.89Å; F90-E94 VanDerWaalsContact O-CB 3.26Å; F90-E94 WeakPolarHBondContact O-CB 3.38Å; F90-E94 PolarHBondContact O-N 3.4Å
91I83.5Confident83.5Confident47 Ų47103.3 Ų103.324%0.24151%0.507CS..Hα-helixtrans-64-36.9176.5-63.7-72.2000111.7V85 N88 R95V85-I91 HydrophobicContact CG1-CD1 3.84Å; V85-I91 HydrophobicContact CG1-CG1 3.78Å; V85-I91 HydrophobicContact CG1-CG2 4.19Å; V85-I91 VanDerWaalsContact O-CB 3.3Å; V85-I91 WeakPolarHBondContact O-CB 3.4Å; V85-I91 WeakPolarHBondContact O-CG1 3.36Å; V85-I91 WeakPolarHBondContact O-CG2 3.11Å; N88-I91 HydrophobicContact CB-CB 4.11Å; N88-I91 HydrophobicContact CB-CG1 3.91Å; N88-I91 PolarHBondContact O-N 3.4Å; N88-I91 PolarHBondContact OD1-N 3.29Å; I91-R95 VanDerWaalsContact O-CB 3.23Å; I91-R95 WeakPolarHBondContact O-CB 3.25Å; I91-R95 PolarHBondContact O-N 3.24Å
92R88.2Confident84.7Confident164 Ų164104.9 Ų104.962%0.61950%0.5SS*.Hα-helixtrans-67.6-44.3174.8-71.2177.263.3-159.7-2.3111.6H86 N88 R89 F90 Q96H86-R92 WeakPolarHBondContact O-CG 3.39Å; N88-R92 WeakPolarHBondContact O-CG 3.49Å; N88-R92 PolarHBondContact O-N 2.73Å; R89-R92 PolarHBondContact O-N 2.96Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.28Å; R92-Q96 WeakPolarHBondContact O-CB 3.32Å; R92-Q96 PolarHBondContact O-N 3.21Å
93Q89.8Confident85.8Confident92 Ų92102.5 Ų102.543%0.4349%0.485SS..Hα-helixtrans-66.4-42.4176.1-74.4175.4-14.800112.3R89 F90 Q96 Q97R89-Q93 WeakPolarHBondContact O-CB 3.13Å; R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.3Å; R89-Q93 PolarHBondContact O-N 2.81Å; F90-Q93 PolarHBondContact O-N 2.89Å; Q93-Q96 CarbonylContact O-C 3.55Å; Q93-Q96 PolarHBondContact O-N 3.35Å; Q93-Q97 WeakPolarHBondContact O-CB 3.39Å; Q93-Q97 PolarHBondContact O-N 3.46Å
94E88.8Confident86.4Confident96 Ų96109.3 Ų109.345%0.44950%0.499SS..Hα-helixtrans-62.7-46.3175.7-167.4-159.8178.500110.2F90 Q96 Q97 Q98F90-E94 VanDerWaalsContact O-CB 3.26Å; F90-E94 WeakPolarHBondContact O-CB 3.38Å; F90-E94 PolarHBondContact O-N 3.4Å; E94-Q96 VanDerWaalsContact C-N 3.3Å; E94-Q96 PolarHBondContact O-N 3.16Å; E94-Q97 CarbonylContact O-C 3.54Å; E94-Q97 PolarHBondContact O-N 3.27Å; E94-Q97 VanDerWaalsContact O-N 3.08Å; E94-Q98 VanDerWaalsContact CD-NE2 3.32Å; E94-Q98 HydrophobicContact CG-CG 4.39Å; E94-Q98 WeakPolarHBondContact O-CB 3.39Å; E94-Q98 WeakPolarHBondContact O-CG 3.5Å; E94-Q98 PolarHBondContact O-N 2.85Å; E94-Q98 PolarHBondContact OE1-NE2 3.35Å
95R90.6Very high86.6Confident135 Ų135108.5 Ų108.551%0.50950%0.496SS..Hα-helixtrans-59-41.2174.5-174.8177.6-61.2-113-4111.9I91 Q97 Q99I91-R95 VanDerWaalsContact O-CB 3.23Å; I91-R95 WeakPolarHBondContact O-CB 3.25Å; I91-R95 PolarHBondContact O-N 3.24Å; R95-Q97 VanDerWaalsContact C-N 3.35Å; R95-Q99 WeakPolarHBondContact O-CB 3.37Å; R95-Q99 VanDerWaalsContact O-CG 3.29Å; R95-Q99 WeakPolarHBondContact O-CG 3.43Å; R95-Q99 PolarHBondContact O-N 2.6Å
96Q91.1Very high87Confident117 Ų117110.7 Ų110.755%0.54750%0.5SS..Hα-helixtrans-68-33.5175.3-166.8-175.4-1.100112.2R92 Q93 E94 Q100R92-Q96 WeakPolarHBondContact O-CB 3.32Å; R92-Q96 PolarHBondContact O-N 3.21Å; Q93-Q96 CarbonylContact O-C 3.55Å; Q93-Q96 PolarHBondContact O-N 3.35Å; E94-Q96 VanDerWaalsContact C-N 3.3Å; E94-Q96 PolarHBondContact O-N 3.16Å; Q96-Q100 WeakPolarHBondContact O-CB 3.24Å; Q96-Q100 WeakPolarHBondContact O-CG 3.47Å; Q96-Q100 PolarHBondContact O-N 2.87Å; Q96-Q100 PolarHBondContact O-NE2 2.91Å
97Q91.9Very high87.3Confident115 Ų115110.3 Ų110.354%0.53750%0.498SS..Hα-helixtrans-74.3-39.2175.8-165-165.87500111.6Q93 E94 R95 Q100 Q101Q93-Q97 WeakPolarHBondContact O-CB 3.39Å; Q93-Q97 PolarHBondContact O-N 3.46Å; E94-Q97 CarbonylContact O-C 3.54Å; E94-Q97 PolarHBondContact O-N 3.27Å; E94-Q97 VanDerWaalsContact O-N 3.08Å; R95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-Q100 PolarHBondContact O-N 3.37Å; Q97-Q101 WeakPolarHBondContact O-CB 3.14Å; Q97-Q101 WeakPolarHBondContact O-CG 3.25Å; Q97-Q101 PolarHBondContact O-N 2.75Å
98Q90.2Very high86.9Confident86 Ų86109.3 Ų109.340%0.40250%0.496SS..Hα-helixtrans-65.3-39.6172-71.3-177.617.900110.9E94 Q101 Q102E94-Q98 VanDerWaalsContact CD-NE2 3.32Å; E94-Q98 HydrophobicContact CG-CG 4.39Å; E94-Q98 WeakPolarHBondContact O-CB 3.39Å; E94-Q98 WeakPolarHBondContact O-CG 3.5Å; E94-Q98 PolarHBondContact O-N 2.85Å; E94-Q98 PolarHBondContact OE1-NE2 3.35Å; Q98-Q101 PolarHBondContact O-N 2.75Å; Q98-Q102 WeakPolarHBondContact O-CB 3.31Å; Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.24Å; Q98-Q102 PolarHBondContact O-N 3.21Å
99Q91.9Very high86.2Confident105 Ų105112.9 Ų112.949%0.49152%0.515SS..Hα-helixtrans-63.8-42.9172.1-78.7176.4-10.100112.1R95 Q101 Q102 Q103R95-Q99 WeakPolarHBondContact O-CB 3.37Å; R95-Q99 VanDerWaalsContact O-CG 3.29Å; R95-Q99 WeakPolarHBondContact O-CG 3.43Å; R95-Q99 PolarHBondContact O-N 2.6Å; Q99-Q101 VanDerWaalsContact C-N 3.35Å; Q99-Q101 PolarHBondContact O-N 3.04Å; Q99-Q102 PolarHBondContact O-N 3.24Å; Q99-Q103 WeakPolarHBondContact O-CB 3.32Å; Q99-Q103 WeakPolarHBondContact O-CG 3.4Å; Q99-Q103 PolarHBondContact O-N 3.15Å
100Q92Very high85.5Confident104 Ų104111 Ų11149%0.48652%0.521SS..Hα-helixtrans-66.3-33.6173.7-77168.493.900113Q96 Q97 R104Q96-Q100 WeakPolarHBondContact O-CB 3.24Å; Q96-Q100 WeakPolarHBondContact O-CG 3.47Å; Q96-Q100 PolarHBondContact O-N 2.87Å; Q96-Q100 PolarHBondContact O-NE2 2.91Å; Q97-Q100 PolarHBondContact O-N 3.37Å; Q100-R104 WeakPolarHBondContact O-CB 3.44Å; Q100-R104 PolarHBondContact O-N 3.22Å
101Q89.6Confident84.4Confident113 Ų113113.5 Ų113.553%0.52853%0.534SS..Hα-helixtrans-71.5-36.3173-77.3179.478.200112Q97 Q98 Q99 S105Q97-Q101 WeakPolarHBondContact O-CB 3.14Å; Q97-Q101 WeakPolarHBondContact O-CG 3.25Å; Q97-Q101 PolarHBondContact O-N 2.75Å; Q98-Q101 PolarHBondContact O-N 2.75Å; Q99-Q101 VanDerWaalsContact C-N 3.35Å; Q99-Q101 PolarHBondContact O-N 3.04Å; Q101-S105 WeakPolarHBondContact O-CB 3.5Å; Q101-S105 PolarHBondContact O-N 3.2Å; Q101-S105 PolarHBondContact O-OG 2.73Å
102Q88.8Confident83.3Confident118 Ų118121 Ų12155%0.55156%0.56SS**Hα-helixtrans-65.9-47.5171.9-75.9171.228.500110.5Q98 Q99 R104 S105 E106Q98-Q102 WeakPolarHBondContact O-CB 3.31Å; Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.24Å; Q98-Q102 PolarHBondContact O-N 3.21Å; Q99-Q102 PolarHBondContact O-N 3.24Å; Q102-R104 PolarHBondContact O-N 3.03Å; Q102-S105 PolarHBondContact O-N 3.48Å; Q102-S105 PolarHBondContact O-OG 2.59Å; Q102-E106 WeakPolarHBondContact O-CB 3.26Å; Q102-E106 PolarHBondContact O-N 2.94Å
103Q87.2Confident81.4Confident131 Ų131121.1 Ų121.161%0.61257%0.565SS**Hα-helixtrans-59.4-47.7174.5-75.3175.3-13.400111.9Q99 S105 E106 E107Q99-Q103 WeakPolarHBondContact O-CB 3.32Å; Q99-Q103 WeakPolarHBondContact O-CG 3.4Å; Q99-Q103 PolarHBondContact O-N 3.15Å; Q103-S105 PolarHBondContact O-N 2.68Å; Q103-E106 PolarHBondContact O-N 3.37Å; Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 PolarHBondContact O-N 3.3Å
104R84.7Confident79.4Confident180 Ų180122.4 Ų122.468%0.67958%0.581SS**Hα-helixtrans-63.8-37175.8-87.8-175164.8160.6-2.1113.9Q100 Q102 L108Q100-R104 WeakPolarHBondContact O-CB 3.44Å; Q100-R104 PolarHBondContact O-N 3.22Å; Q102-R104 PolarHBondContact O-N 3.03Å; R104-L108 VanDerWaalsContact O-CB 3.28Å; R104-L108 WeakPolarHBondContact O-CB 3.37Å; R104-L108 WeakPolarHBondContact O-CD1 3.49Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 2.8Å
105S82Confident76.9Confident60 Ų60121.5 Ų121.542%0.4260%0.598SS.*Hα-helixtrans-76.5-32.5177.853.10000112.2Q101 Q102 Q103 L109Q101-S105 WeakPolarHBondContact O-CB 3.5Å; Q101-S105 PolarHBondContact O-N 3.2Å; Q101-S105 PolarHBondContact O-OG 2.73Å; Q102-S105 PolarHBondContact O-N 3.48Å; Q102-S105 PolarHBondContact O-OG 2.59Å; Q103-S105 PolarHBondContact O-N 2.68Å; S105-L109 VanDerWaalsContact O-CB 3.24Å; S105-L109 WeakPolarHBondContact O-CB 3.22Å; S105-L109 WeakPolarHBondContact O-CD1 3.3Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 2.66Å
106E85.6Confident74.6Confident139 Ų139120.1 Ų120.165%0.6561%0.606SS**Hα-helixtrans-69.3-39.6170.6-172.3165.7-165.900111.3Q102 Q103 L109 A110Q102-E106 WeakPolarHBondContact O-CB 3.26Å; Q102-E106 PolarHBondContact O-N 2.94Å; Q103-E106 PolarHBondContact O-N 3.37Å; E106-L109 CarbonylContact O-C 3.55Å; E106-L109 PolarHBondContact O-N 3.41Å; E106-A110 WeakPolarHBondContact O-CB 3.23Å; E106-A110 PolarHBondContact O-N 3.18Å
107E82.3Confident72.5Confident127 Ų127121.8 Ų121.859%0.59362%0.618SS**Hα-helixtrans-64-48.8173.4-174.5171.7-132.700111.3Q103 L109 A110 E111Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 PolarHBondContact O-N 3.3Å; E107-L109 VanDerWaalsContact C-N 3.27Å; E107-L109 PolarHBondContact O-N 3.45Å; E107-A110 CarbonylContact O-C 3.53Å; E107-A110 PolarHBondContact O-N 2.73Å; E107-E111 PolarHBondContact O-N 2.97Å
108L75.4Confident70.3Confident113 Ų113124.3 Ų124.359%0.59263%0.629SS**Hα-helixtrans-64.5-27.4173.9-72.3167.7000113.3R104 R112R104-L108 VanDerWaalsContact O-CB 3.28Å; R104-L108 WeakPolarHBondContact O-CB 3.37Å; R104-L108 WeakPolarHBondContact O-CD1 3.49Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 2.8Å; L108-R112 WeakPolarHBondContact O-CB 3.47Å; L108-R112 PolarHBondContact O-N 3.47Å
109L68.1Low67.9Low119 Ų119125 Ų12562%0.62365%0.65SS**Hα-helixtrans-81.5-26.3171.9-73.7169.2000112.5S105 E106 E107 R112 K113S105-L109 VanDerWaalsContact O-CB 3.24Å; S105-L109 WeakPolarHBondContact O-CB 3.22Å; S105-L109 WeakPolarHBondContact O-CD1 3.3Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 2.66Å; E106-L109 CarbonylContact O-C 3.55Å; E106-L109 PolarHBondContact O-N 3.41Å; E107-L109 VanDerWaalsContact C-N 3.27Å; E107-L109 PolarHBondContact O-N 3.45Å; L109-R112 CarbonylContact O-C 3.57Å; L109-R112 VanDerWaalsContact O-C 3.26Å; L109-R112 PolarHBondContact O-N 3.04Å; L109-K113 PolarHBondContact O-N 3.25Å
110A70.6Confident65.7Low62 Ų62129.9 Ų129.951%0.51266%0.664SS.*Hα-helixtrans-81.2-32.6176.200000112.7E106 E107 K113E106-A110 WeakPolarHBondContact O-CB 3.23Å; E106-A110 PolarHBondContact O-N 3.18Å; E107-A110 CarbonylContact O-C 3.53Å; E107-A110 PolarHBondContact O-N 2.73Å; A110-K113 WeakPolarHBondContact O-CB 3.13Å; A110-K113 PolarHBondContact O-N 3Å
111E60.7Low63.5Low160 Ų160131.8 Ų131.875%0.74867%0.673SS**Hα-helixtrans-62.5-36.7162.2-73.3-161.4125.500110.5E107 K113E107-E111 PolarHBondContact O-N 2.97Å; E111-K113 PolarHBondContact O-N 3.27Å; E111-K113 VanDerWaalsContact O-N 3.14Å
112R59.5Low61.1Low205 Ų205137.6 Ų137.677%0.77469%0.69SS**THydrogen-bonded Turntrans-81.726.9174.3-150.1-178.1-178.9-137.4-3.4114L108 L109L108-R112 WeakPolarHBondContact O-CB 3.47Å; L108-R112 PolarHBondContact O-N 3.47Å; L109-R112 CarbonylContact O-C 3.57Å; L109-R112 VanDerWaalsContact O-C 3.26Å; L109-R112 PolarHBondContact O-N 3.04Å
113K49.4Very low58.9Low167 Ų167143.9 Ų143.973%0.72671%0.709SS**PPolyproline II helixtrans-63.3132.7174.6-175.2170.7-172.1173.70110.5L109 A110 E111 G115L109-K113 PolarHBondContact O-N 3.25Å; A110-K113 WeakPolarHBondContact O-CB 3.13Å; A110-K113 PolarHBondContact O-N 3Å; E111-K113 PolarHBondContact O-N 3.27Å; E111-K113 VanDerWaalsContact O-N 3.14Å; K113-G115 PolarHBondContact O-N 3.35Å
114P46.5Very low56.9Low118 Ų118142.9 Ų142.977%0.76671%0.713SS**PPolyproline II helixtrans-62.5123.8178.2-21.833000111.1P116P114-P116 WeakPolarHBondContact O-CD 3.23Å
115G37Very low54.8Low78 Ų78139.5 Ų139.580%0.80472%0.718SS**PPolyproline II helixtrans-73.712117700000111.8K113K113-G115 PolarHBondContact O-N 3.35Å
116P42.5Very low53.2Low105 Ų105142.9 Ų142.968%0.68274%0.738SS**PPolyproline II helixtrans-87.5157.8166.237.1-32.8000110.4P114P114-P116 WeakPolarHBondContact O-CD 3.23Å
117L45.8Very low51.6Low152 Ų152139.4 Ų139.480%0.79674%0.739SS**  trans64.6148.8167-61.4165000115.5
118E46.6Very low50Low168 Ų168141.9 Ų141.979%0.78575%0.751SS**  cis-161175.8-28-147.7-179.7-13700108.3R120E118-R120 PolarHBondContact O-N 3.16Å
119A39.9Very low48.8Very low101 Ų101144.5 Ų144.584%0.83576%0.762SS**  trans-52.290.7179.100000116.1
120R45.5Very low47.6Very low208 Ų208149.4 Ų149.479%0.78577%0.772SS**  trans-148.9145.6159.7-104.9177.8127.6-176.5-10.8109.7E118E118-R120 PolarHBondContact O-N 3.16Å
121E46.5Very low46.5Very low144 Ų144151.9 Ų151.967%0.67378%0.777SS**  cis-145.7165.92-164.3151.4-125.700110.7
122R39Very low46.1Very low235 Ų235153.5 Ų153.589%0.88779%0.785SS**  trans-77.1137.7-169.8-49.8174.7-174.2-175.60.4113.3
123R43Very low45.4Very low249 Ų249149 Ų14994%0.9478%0.784SS**  trans-151.8126.2134-72.6-153.4179.3-154.1-0.6111.4
124P44.4Very low45.6Very low110 Ų110145.5 Ų145.571%0.71478%0.779SS**  trans-111.2-179.317741.1-34.1000114
125S40Very low45.8Very low110 Ų110149.9 Ų149.977%0.76979%0.786SS**  trans79.2156.3160.3-57.30000118.5
126P48.6Very low46.4Very low131 Ų131149.4 Ų149.485%0.85178%0.781SS**  cis-129.9176.5-17.131.5-11.5000114.8
127G53Low46.8Very low65 Ų65154.8 Ų154.867%0.6779%0.788SS**  trans138.881.3174.300000111.2
128E48.2Very low47Very low180 Ų180153.9 Ų153.984%0.84178%0.779SS**  58.1121.874.8-63.8-166.2122.900114.2
129M50.2Low47.1Very low167 Ų167151.3 Ų151.382%0.82378%0.78SS**  cis-150.1144.1-17.3-78.8-152.8-61.800108.1
130R43.6Very low47.5Very low223 Ų223155.7 Ų155.784%0.84278%0.775SS**  trans-157.2115.9143-153.2158.9-172.8-176.91.8116.1
131D46.9Very low47.6Very low114 Ų114152.9 Ų152.961%0.6177%0.771SS**  trans47119.2143.7-49.7-19.2000122.2
132Q51.9Low47.4Very low194 Ų194154.4 Ų154.491%0.90778%0.778SS**  trans109.9104.8141.2-50.2-124.173.700119.6
133S44.7Very low47.7Very low110 Ų110154.1 Ų154.177%0.76978%0.777SS**  trans-67.8-179.4161.2-143.80000111.1
134P53.8Low47.7Very low94 Ų94150.3 Ų150.361%0.6177%0.774SS**  cis-152175.515.646.7-26.5000120.3
135K51Low47.6Very low209 Ų209150.3 Ų150.391%0.90978%0.777SS**  trans69.6143.1162.9-49.1178.5-170.7175.50117.5
136G49.2Very low48.3Very low69 Ų69151.3 Ų151.371%0.71178%0.781SS**  cis161.1154.1-11.800000114.1
137R52.3Low48Very low218 Ų218155 Ų15582%0.82378%0.778SS**  trans66.7151.4173.7-69-157.7-175.6-115.96.8117.8
138E48.1Very low47.8Very low132 Ų132158.2 Ų158.262%0.61778%0.776SS**  cis-175.4150.1-30.7-118160.7-147.900110.4
139S49.1Very low47.8Very low114 Ų114154.4 Ų154.480%0.79776%0.764SS**  trans68.1157.815079.80000119.5
140R47.9Very low47.4Very low193 Ų193157.5 Ų157.573%0.72877%0.767SS**  cis-175.9135.4-19.7162.7174.6177.7-119-17.3112
141E47.7Very low48Very low149 Ų149154 Ų15470%0.69676%0.76SS**  trans56.7169.6162.8-73.1147.3-127.500116.9
142E43.4Very low48.5Very low177 Ų177157 Ų15783%0.82776%0.763SS**  cis-142.5-177.921.3-160.6176.2151.100111.8
143R44.1Very low48.4Very low228 Ų228156.8 Ų156.886%0.8675%0.754SS**  trans-126.5162.2177.6-41.9-173.385-171.37.5111.1
144L42.8Very low48.5Very low170 Ų170159.5 Ų159.589%0.8976%0.759SS**  trans177.5155.8139.1-98.4165.8000111.9
145S43Very low48.5Very low109 Ų109158.6 Ų158.676%0.76277%0.766SS**  trans-164.6141.5171.160.50000115
146P54Low48.3Very low132 Ų132156.9 Ų156.986%0.85777%0.765SS**  trans-145-175.6155.739.3-23.5000113.8
147R43Very low48.3Very low207 Ų207157.5 Ų157.578%0.78177%0.772SS**  -175.3153.8-54.2-153-171.9-180-129.5-3.8108.7
148E48.8Very low47.7Very low134 Ų134150.7 Ų150.763%0.62677%0.769SS**  trans68.2159.2159-63.9-128.8-156.200119.1
149T48.6Very low47.4Very low99 Ų99149.5 Ų149.561%0.60778%0.782SS**  cis-169.5128.4-19.8-95.40000115.5
150R42.1Very low46.9Very low233 Ų233152.2 Ų152.288%0.87978%0.782SS**  trans39.9128.5136.5-175.5-154.8-165-176.17.8123.4
151E56.1Low46.6Very low148 Ų148150.2 Ų150.269%0.69278%0.781SS**  trans-159.4136.9139.7-148.9146.9-132.800119.7
152R56.3Low46.3Very low178 Ų178150.1 Ų150.167%0.67279%0.785SS**  trans29.3162148.3-64173.7-148.2-146.913.5124.7
153R50.1Low46.2Very low190 Ų190146.1 Ų146.172%0.71778%0.776SS**  cis-171.9150.6-21.7-107.3-177.2-140.6-96.42.5112.7
154L47.7Very low45.9Very low167 Ų167143.4 Ų143.487%0.87478%0.778SS**  trans66.5140.4147.5-64.7166.1000121.7
155G53.6Low45.5Very low74 Ų74146.6 Ų146.676%0.76378%0.778SS**  trans176.923.3178.200000122.2
156I47.2Very low45.6Very low173 Ų173147.1 Ų147.189%0.88778%0.779SS**  trans35.6110.7160.4-49.4174.3000120.7
157G47.8Very low44.8Very low82 Ų82148.3 Ų148.385%0.84578%0.777SS**  trans78.1146.9148.800000118.4
158G40.9Very low44.7Very low75 Ų75146.9 Ų146.977%0.77378%0.779SS**  cis179158.5-7.700000112.2
159A41.7Very low44.2Very low108 Ų108144.7 Ų144.789%0.89379%0.785SS**  trans76.2153.6-179.700000119
160Q38.8Very low43.7Very low171 Ų171151.1 Ų151.180%0.79980%0.798SS**  trans-49.2159.4-173.3-66.5159.7-50.900117.1
161E40.7Very low43.6Very low150 Ų150144.6 Ų144.670%0.70178%0.78SS**  cis-156.7167.4-12.7-118.4-178.7107.700111.2
162L42Very low42.5Very low148 Ų148149.9 Ų149.978%0.77579%0.794SS**  trans-12.2149.2166.5-52.5173.1000120.3
163S41.1Very low41.8Very low93 Ų93150.1 Ų150.165%0.6580%0.795SS**  cis-173.2135.1-16.354.50000112.5
164L37.5Very low41.4Very low171 Ų171149.1 Ų149.190%0.89580%0.799SS**  trans60.3113.4149.2-58.5174.4000121.7
165R35.1Very low40.9Very low236 Ų236147 Ų14789%0.89180%0.798SS**  trans-98.1144.9146.9-86.3-81.5-154158.65.7109.6
166P44.6Very low40.6Very low120 Ų120149.9 Ų149.978%0.77980%0.803SS**  trans-98.2158.4152.9-9.428.6000112.6
167L37.6Very low40.6Very low158 Ų158145.2 Ų145.283%0.82780%0.797SS**  trans-142.9168.3175.5-174.760.9000108.5
168E40Very low40.5Very low176 Ų176149.8 Ų149.882%0.82280%0.797SS**  trans73.6148.2177-44.8-166.2122.900114.7
169A39.5Very low40.9Very low89 Ų89152.5 Ų152.574%0.73680%0.798SS**  cis-124.4160.8-0.100000109.6
170R38Very low41Very low234 Ų234150.7 Ų150.788%0.88379%0.79SS**  56.3138.653.3-89.7-170.8167.1172.5-3.3113.7
171D38.5Very low41Very low96 Ų96150.3 Ų150.351%0.51379%0.793SS.*  cis-156.6136.6-13.4178.726.9000107R173D171-R173 IonicContact OD2-NH2 3.36Å; D171-R173 PolarHBondContact OD2-NH2 3.31Å
172W33.6Very low41.4Very low258 Ų258154.9 Ų154.998%0.97780%0.804SS**  trans-143.5136.9167.9-81.8119.7000111.1
173R41.7Very low41.3Very low184 Ų184153.3 Ų153.369%0.69481%0.805SS**  trans-118124.5-154.1-178.2-177.5-54.6-116-12.8111.6D171D171-R173 IonicContact OD2-NH2 3.36Å; D171-R173 PolarHBondContact OD2-NH2 3.31Å
174Q41.6Very low41.3Very low169 Ų169153.7 Ų153.779%0.7981%0.808SS**  trans30.9116.8150.8-54.1176.352.600118.6
175S38.4Very low41.7Very low123 Ų123156.6 Ų156.686%0.8681%0.807SS**  -171153.3105.9-75.50000111.5
176P45.5Very low42.1Very low133 Ų133152.9 Ų152.986%0.86480%0.804SS**  trans-115.9166.1-172.141.3-31.5000115.6
177G48.7Very low41.8Very low75 Ų75151.1 Ų151.177%0.77379%0.794SS**  trans121.4144.8176.800000111.8
178E44.4Very low42.1Very low178 Ų178152.4 Ų152.483%0.83280%0.796SS**  cis-159.1159.4-5.2-151-165.8126.300109.2
179V49.4Very low42.4Very low133 Ų133148.4 Ų148.481%0.80679%0.793SS**  trans54.6131.7166.6-169.10000119.7
180G43.5Very low42.6Very low70 Ų70153.8 Ų153.872%0.72280%0.795SS**  trans143.6112.2149.400000117R182G180-R182 PolarHBondContact O-N 3.5Å
181D40.6Very low43.3Very low162 Ų162151.3 Ų151.387%0.86679%0.79SS**  trans-54.6128.4170.2-88-60.4000113.4
182R47.9Very low43.3Very low247 Ų247158.7 Ų158.793%0.93281%0.811SS**  trans175.268.9146.2-93.2145.2-161.2-100.42.4113.6G180G180-R182 PolarHBondContact O-N 3.5Å
183S40.5Very low44Very low114 Ų114156.6 Ų156.680%0.79780%0.803SS**  trans-145.376.2166.363.30000113.5
184S41.8Very low44.2Very low101 Ų101156 Ų15671%0.70681%0.812SS**  trans-75.9149.1163.3730000110.8
185R43.9Very low44Very low232 Ų232153.5 Ų153.588%0.87581%0.814SS**  trans67.763.6166.1-49.1172.5-173.2-91.70.5117.4
186L45.3Very low44.7Very low158 Ų158153.8 Ų153.883%0.82781%0.813SS**  trans-133.6125.1158.3-73.5177.3000113.2
187S38.2Very low44.4Very low83 Ų83150.2 Ų150.258%0.5880%0.801SS**  trans51.182.3150-560000120.7
188E43.1Very low44.2Very low186 Ų186155.6 Ų155.687%0.86981%0.805SS**  trans-94.74.2161.9-141.9178.3159.900113.7W190E188-W190 PolarHBondContact O-N 3.41Å
189A46.3Very low43.9Very low91 Ų91152.9 Ų152.975%0.75280%0.801SS**  trans-93.714.3-163.600000116.7
190W43.4Very low43.4Very low202 Ų202152 Ų15277%0.76580%0.799SS**  trans-115.111.7-169.3-74.3-18.7000116.6E188 W192E188-W190 PolarHBondContact O-N 3.41Å; W190-W192 PolarHBondContact O-N 3.38Å
191K53.6Low43.4Very low182 Ų182157.7 Ų157.779%0.79181%0.806SS**SBendtrans-79.3-4-174.1-84.6-175.7173176.20117.6
192W39.1Very low43.2Very low251 Ų251160.6 Ų160.695%0.95181%0.805SS**SBendtrans-128.966.3-176.5-66.7111000113.2W190W190-W192 PolarHBondContact O-N 3.38Å
193R47.2Very low42.8Very low215 Ų215154.5 Ų154.581%0.81180%0.8SS**  trans-139.212.4178.3-98.1-112.2-80.7-94.8-0.7115.9
194L45.7Very low42.7Very low170 Ų170157 Ų15789%0.8980%0.804SS**  trans-125.1102.8167.7-76.187.3000109.7
195S37.2Very low42.4Very low117 Ų117163.6 Ų163.682%0.81881%0.813SS**  trans-96.8122.1157.9-58.70000108
196P54.3Low42.2Very low129 Ų129160.8 Ų160.884%0.83882%0.815SS**  trans-59.7148.4147.2-1127.5000108
197G37.9Very low41.9Very low59 Ų59156.6 Ų156.661%0.60880%0.803SS**  cis137.4966.900000108
198E44.9Very low41.9Very low187 Ų187161.9 Ų161.987%0.87482%0.819SS**  trans62.5148.5-179.1-68.4153.99400114.5
199T38.4Very low41.7Very low121 Ų121158.7 Ų158.774%0.74282%0.817SS**  cis-132.1162.932.255.70000114.4
200P39Very low41.2Very low116 Ų116164.6 Ų164.675%0.75382%0.82SS**  trans-113.39216536.1-24.5000111.9R202P200-R202 VanDerWaalsContact C-N 3.26Å; P200-R202 PolarHBondContact O-N 3.25Å
201E42.3Very low41Very low189 Ų189161.8 Ų161.888%0.88382%0.815SS**  trans-75.876175.4-71.3-155.1125.700113.3
202R38Very low40.2Very low223 Ų223162.6 Ų162.684%0.84282%0.822SS**  trans20.5103.6141.8-161.9174.6-166.2160.32.9117.1P200 L204P200-R202 VanDerWaalsContact C-N 3.26Å; P200-R202 PolarHBondContact O-N 3.25Å; R202-L204 PolarHBondContact O-N 3.05Å
203S38.7Very low39.9Very low119 Ų119155.6 Ų155.683%0.83281%0.811SS**  trans-57.7119.2172.3-50.60000113.2R205S203-R205 PolarHBondContact O-N 3Å
204L39.2Very low39.8Very low167 Ų167151.4 Ų151.487%0.87481%0.811SS**  trans-84.483.4168.2-72178.4000111.2R202R202-L204 PolarHBondContact O-N 3.05Å
205R36Very low39.4Very low238 Ų238153.7 Ų153.790%0.89881%0.808SS**  trans-146.599.2160.5-74.5-162.8-177.5-147.53.3110.9S203S203-R205 PolarHBondContact O-N 3Å
206L39.6Very low39.8Very low173 Ų173159.6 Ų159.691%0.90681%0.813SS**  trans-154.8134.5161.1-163.959.7000112.1
207A38.7Very low39.5Very low71 Ų71160.5 Ų160.559%0.58780%0.803SS**  trans31.3106.9158.600000121
208E36.5Very low39.8Very low194 Ų194164.6 Ų164.691%0.90781%0.807SS**  39.8107.5117.6-61.3171.1107.700120.3
209S39.4Very low39.7Very low119 Ų119161.9 Ų161.983%0.83280%0.803SS**  trans-142.170.7156.965.30000113.1
210R36.1Very low39.6Very low214 Ų214162.8 Ų162.881%0.80880%0.798SS**  trans31.9116.9139.2-168.3177.3-178173.24.4120.4
211E39Very low40Very low144 Ų144162.7 Ų162.767%0.67380%0.8SS**  trans43.4108.3144.7-53.6176.1122.100120.6
212Q38Very low39.9Very low199 Ų199163.4 Ų163.493%0.9380%0.795SS**  -180162.8105.7-95.3-175.423.900112.3
213S31.5Very low40.3Very low104 Ų104161.2 Ų161.273%0.72780%0.799SS**  trans-130149.2-180-177.40000111.1
214P46Very low40.1Very low126 Ų126161 Ų16182%0.81880%0.797SS**  trans-144.897.1137.134-16.2000115.9
215R36.2Very low40.3Very low218 Ų218159 Ų15982%0.82380%0.795SS**  19.3115.5128.7-166-172-159-160.97.6119.9
216R47.2Very low40.8Very low241 Ų241151.4 Ų151.491%0.90979%0.79SS**  trans-170.1134.7148.9-98.3149.1-157.6-127.96.3106.9
217K46.3Very low41.1Very low148 Ų148152.4 Ų152.464%0.64379%0.791SS**  cis60.3128.247.6-78.9177.2162.9-97.10111.6
218E44.7Very low41.5Very low145 Ų145154.4 Ų154.468%0.67880%0.8SS**  cis-165.6-164.913.6-132.9149.417800111.5
219V42.3Very low41.9Very low131 Ų131149.3 Ų149.379%0.79479%0.791SS**  trans86.8107.5164.4-167.30000118.2
220E37.4Very low42Very low139 Ų139154.1 Ų154.165%0.6579%0.793SS**  trans-84.7135.6158.6173.7-176.1157.900109.5R222E220-R222 IonicContact OE1-CZ 3.11Å; E220-R222 IonicContact OE1-NE 2.7Å; E220-R222 PolarHBondContact OE1-NE 3.45Å; E220-R222 IonicContact OE1-NH2 2.71Å; E220-R222 PolarHBondContact OE1-NH2 3.34Å
221S48Very low42.2Very low114 Ų114152.9 Ų152.980%0.79780%0.796SS**  trans-126.8105.4177.7620000111.8
222R38.9Very low42.2Very low205 Ų205156 Ų15677%0.77481%0.807SS**  trans-93.7130175-62.2179.6-179.7-102.3-13.4110.6E220E220-R222 IonicContact OE1-CZ 3.11Å; E220-R222 IonicContact OE1-NE 2.7Å; E220-R222 PolarHBondContact OE1-NE 3.45Å; E220-R222 IonicContact OE1-NH2 2.71Å; E220-R222 PolarHBondContact OE1-NH2 3.34Å
223L46.1Very low42.5Very low176 Ų176154.3 Ų154.392%0.92180%0.804SS**  trans-144.4129.9157-74.1-179.5000110.3
224S34.4Very low42.6Very low114 Ų114152.4 Ų152.480%0.79780%0.801SS**  trans-150.2173.4172.9-56.90000107
225P44.5Very low42.2Very low126 Ų126154.3 Ų154.382%0.81880%0.803SS**  cis-117.6172.6-48.136-23.3000110.9
226G46.7Very low42Very low78 Ų78150 Ų15080%0.80480%0.801SS**  trans-107134.8175.200000113.2
227E45.5Very low41.5Very low195 Ų195148.2 Ų148.291%0.91180%0.803SS**  trans-75.6174172-48.8156.9113.500109.6
228S46.1Very low40.9Very low113 Ų113145 Ų14579%0.7980%0.804SS**  cis-166.5-154.122.263.40000110.5
229A46.2Very low40.3Very low87 Ų87146.6 Ų146.672%0.71981%0.811SS**  trans84.891.7157.300000119.4
230Y40.7Very low40.2Very low220 Ų220148.7 Ų148.786%0.86381%0.81SS**  trans-53.2145165.8-47.8-98.5000115.4
231Q41Very low40.1Very low188 Ų188154.1 Ų154.188%0.87982%0.824SS**  -158.2139121.7-110.9150.4105.400111.7
232K38.6Very low39.7Very low208 Ų208158.1 Ų158.190%0.90482%0.822SS**  trans-122.382.6-176.1-174.4-168.6173.4-173.40110.2
233L44.4Very low40.2Very low165 Ų165154.4 Ų154.486%0.86482%0.824SS**  trans-129.8143.3159.6-64171.9000106.4
234G33.3Very low39.8Very low64 Ų64152.2 Ų152.266%0.6681%0.814SS**  cis130.796.24.100000110.1
235L38.2Very low39.6Very low165 Ų165152.4 Ų152.486%0.86482%0.815SS**  trans78.5143.2171.8-51.4173.8000117.9
236T31.8Very low39.5Very low129 Ų129155 Ų15579%0.79181%0.808SS**  trans52.687.9154.153.40000119.7
237E35.7Very low39Very low203 Ų203159.1 Ų159.195%0.94981%0.807SS**  trans-104.782.9142.5-171.6167.9-156.400109.1
238A34Very low38.7Very low80 Ų80154.9 Ų154.966%0.66180%0.799SS**  trans-133.369.1-179.600000110.2
239H32.5Very low38.2Very low178 Ų178155 Ų15582%0.82479%0.786SS**  trans-160.3158.9173-113.4-74.5000112
240K39.7Very low37.8Very low175 Ų175158 Ų15876%0.76179%0.786SS**  trans71.276.9171.4-55.1159.8-178.1-72.50116
241W36.5Very low37.7Very low254 Ų254154.4 Ų154.496%0.96278%0.777SS**  -139124.1104.3-79.8104.7000108.9
242R39.5Very low38Very low198 Ų198148.5 Ų148.575%0.74776%0.756SS**  trans-89.2136.9162.6-79.8-171.2174-821.5107.7D244R242-D244 WeakPolarHBondContact CB-OD1 3.48Å; R242-D244 VanDerWaalsContact CD-OD1 3.27Å; R242-D244 WeakPolarHBondContact CD-OD1 3.39Å; R242-D244 PolarHBondContact O-N 3.48Å
243P49.9Very low38.1Very low126 Ų126144.1 Ų144.182%0.81874%0.742SS**  trans-68.8106.6142.6-119.7000106.2
244D36.1Very low38.1Very low131 Ų131141 Ų14170%0.70173%0.73SS**  trans-77.8140.2175.5-76.2-39.3000110.4R242 R246R242-D244 WeakPolarHBondContact CB-OD1 3.48Å; R242-D244 VanDerWaalsContact CD-OD1 3.27Å; R242-D244 WeakPolarHBondContact CD-OD1 3.39Å; R242-D244 PolarHBondContact O-N 3.48Å; D244-R246 PolarHBondContact O-N 3.31Å
245S31.7Very low38.5Very low117 Ų117144.4 Ų144.482%0.81873%0.729SS**SBendtrans-61.7119.9-163.4-47.90000114
246R41.8Very low38.8Very low180 Ų180142.4 Ų142.468%0.67972%0.718SS**  trans-145.32167.3-131.7175.5-173.4-69-14.1117.8D244 S248D244-R246 PolarHBondContact O-N 3.31Å; R246-S248 PolarHBondContact O-N 3.46Å; R246-S248 VanDerWaalsContact O-N 3.12Å
247E36.3Very low39.3Very low166 Ų166142.4 Ų142.478%0.77671%0.709SS**G310 helixtrans-69.7-5.2178.8-67.5167.3105.800113.9Q249E247-Q249 VanDerWaalsContact C-N 3.28Å; E247-Q249 PolarHBondContact O-N 2.95Å
248S38.5Very low39.6Very low106 Ų106135.7 Ų135.774%0.74169%0.689SS**G310 helixtrans-74.8-7.1178.2-44.20000115R246R246-S248 PolarHBondContact O-N 3.46Å; R246-S248 VanDerWaalsContact O-N 3.12Å
249Q35.2Very low40Very low114 Ų114135.9 Ų135.953%0.53368%0.682SS.*G310 helixtrans-96.1-19.6-176.7-170.3162.28.800114.1E247 S252E247-Q249 VanDerWaalsContact C-N 3.28Å; E247-Q249 PolarHBondContact O-N 2.95Å; Q249-S252 PolarHBondContact O-OG 3.18Å; Q249-S252 VanDerWaalsContact O-OG 3.13Å
250E38.8Very low40.4Very low151 Ų151134.9 Ų134.971%0.70668%0.677SS**Hα-helixtrans-87.5-25.4-174.8-62.2-177.4147.300112.2S252 L253 V254E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 3.12Å; E250-L253 PolarHBondContact O-N 3.04Å; E250-V254 PolarHBondContact O-N 3.45Å
251Q38.5Very low40.1Very low144 Ų144137.9 Ų137.967%0.67368%0.684SS**Hα-helixtrans-69.9-15.9175-65.7-169.2-4.300114.7Q255Q251-Q255 PolarHBondContact O-NE2 3.34Å; Q251-Q255 VanDerWaalsContact O-NE2 3.1Å
252S47.5Very low40.3Very low64 Ų64136 Ų13645%0.44868%0.676SS.*Hα-helixtrans-86.1-25.1173.564.70000112.9Q249 E250 L256Q249-S252 PolarHBondContact O-OG 3.18Å; Q249-S252 VanDerWaalsContact O-OG 3.13Å; E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 3.12Å; S252-L256 PolarHBondContact O-N 3.01Å
253L41.3Very low40.4Very low116 Ų116133.6 Ų133.661%0.60768%0.678SS**Hα-helixtrans-72.2-44.5177.5-157.972.2000111E250 Q255 L256 E257E250-L253 PolarHBondContact O-N 3.04Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.27Å; L253-L256 PolarHBondContact O-N 3.18Å; L253-L256 VanDerWaalsContact O-N 3.11Å; L253-E257 PolarHBondContact O-N 2.99Å
254V43.4Very low40Very low101 Ų101139.2 Ų139.261%0.61268%0.683SS**Hα-helixtrans-63.3-33.5177.7179.70000112.2E250 A258E250-V254 PolarHBondContact O-N 3.45Å; V254-A258 WeakPolarHBondContact O-CB 3.39Å; V254-A258 PolarHBondContact O-N 3.42Å
255Q42.5Very low40Very low135 Ų135139.1 Ų139.163%0.63169%0.692SS**Hα-helixtrans-73-27.6174.9-76.6-178.678.500113.4Q251 L253 T259Q251-Q255 PolarHBondContact O-NE2 3.34Å; Q251-Q255 VanDerWaalsContact O-NE2 3.1Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.27Å; Q255-T259 PolarHBondContact O-N 3.08Å; Q255-T259 PolarHBondContact O-OG1 2.84Å
256L43.8Very low40.3Very low122 Ų122137 Ų13764%0.63969%0.688SS**Hα-helixtrans-74.2-46.4176.3-89162.9000111.9S252 L253 A258 T259 E260S252-L256 PolarHBondContact O-N 3.01Å; L253-L256 PolarHBondContact O-N 3.18Å; L253-L256 VanDerWaalsContact O-N 3.11Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 3.01Å; L256-T259 WeakPolarHBondContact O-CB 3.4Å; L256-T259 PolarHBondContact O-N 2.89Å; L256-E260 PolarHBondContact O-N 3.36Å
257E42.6Very low40.2Very low129 Ų129137.6 Ų137.660%0.60370%0.699SS**Hα-helixtrans-61-37.5174-68.8-169.1153.500111.7L253 T259 E260 W261L253-E257 PolarHBondContact O-N 2.99Å; E257-T259 PolarHBondContact O-N 3.2Å; E257-T259 VanDerWaalsContact O-N 3.1Å; E257-E260 PolarHBondContact O-N 2.99Å; E257-W261 VanDerWaalsContact O-CD1 3.29Å
258A42.4Very low40.5Very low63 Ų63138.8 Ų138.852%0.52171%0.705SS.*Hα-helixtrans-64.7-11174.400000114.7V254 L256V254-A258 WeakPolarHBondContact O-CB 3.39Å; V254-A258 PolarHBondContact O-N 3.42Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 3.01Å
259T42Very low40.6Very low84 Ų84142.8 Ų142.852%0.51570%0.704SS.*Hα-helixtrans-99.8-30.6179-56.30000112.3Q255 L256 E257 W261 R262Q255-T259 PolarHBondContact O-N 3.08Å; Q255-T259 PolarHBondContact O-OG1 2.84Å; L256-T259 WeakPolarHBondContact O-CB 3.4Å; L256-T259 PolarHBondContact O-N 2.89Å; E257-T259 PolarHBondContact O-N 3.2Å; E257-T259 VanDerWaalsContact O-N 3.1Å; T259-W261 PolarHBondContact O-N 3.5Å; T259-R262 PolarHBondContact O-N 2.91Å
260E39.8Very low40.9Very low157 Ų157144 Ų14473%0.73471%0.709SS**Hα-helixtrans-64.7-37.4-178.2-171.1168.8177.100113L256 E257 R262 L263L256-E260 PolarHBondContact O-N 3.36Å; E257-E260 PolarHBondContact O-N 2.99Å; E260-R262 PolarHBondContact O-N 3.06Å; E260-L263 PolarHBondContact O-N 3.46Å
261W34.4Very low41Very low238 Ų238142.2 Ų142.290%0.90270%0.704SS**THydrogen-bonded Turntrans-65.3-2.9177.4-68.3100.4000115E257 T259E257-W261 VanDerWaalsContact O-CD1 3.29Å; T259-W261 PolarHBondContact O-N 3.5Å
262R41.5Very low40.9Very low213 Ų213145 Ų14580%0.80471%0.71SS**THydrogen-bonded Turntrans-99.51.2-177-150.5179.7-68.4-133.12.2114.6T259 E260T259-R262 PolarHBondContact O-N 2.91Å; E260-R262 PolarHBondContact O-N 3.06Å
263L41.6Very low40.5Very low148 Ų148146.1 Ų146.178%0.77572%0.718SS**SBendtrans-121.19.5-170.3-105.289.4000117.6E260E260-L263 PolarHBondContact O-N 3.46Å
264R40.5Very low40.6Very low245 Ų245149 Ų14993%0.92573%0.728SS**SBendtrans-135.868.8177.3-69.3-167.7179.3-82.20.8114.1
265S36.9Very low40.9Very low129 Ų129153.3 Ų153.390%0.90274%0.741SS**SBendtrans-154.538.4169.1-171.20000113.1
266G36.6Very low40.7Very low71 Ų71152.2 Ų152.273%0.73275%0.748SS**  trans-148.3164173.500000111.4
267E39.5Very low40.5Very low194 Ų194150 Ų15091%0.90776%0.755SS**  trans79.263.5170.8-153.9162.2108.300118.6
268E43.1Very low40.5Very low191 Ų191154.3 Ų154.389%0.89377%0.765SS**  trans-15981.8149.9-161.917317100108.1
269R41.9Very low40.5Very low190 Ų190160.3 Ų160.372%0.71778%0.779SS**  66.981.768.1-153.1176.3-155.8-61.7-7.4112
270Q39.7Very low40.6Very low140 Ų140163.4 Ų163.465%0.65479%0.788SS**  84.9116.696.7-115.8175.4-2000113.8
271D40.7Very low40.6Very low112 Ų112164.8 Ų164.860%0.59980%0.795SS**  161.8144.9111.4-83.5-18.1000116.9
272Y36.8Very low40.7Very low204 Ų204164.3 Ų164.380%0.879%0.793SS**  trans49.2103.5160.9-62.6-65.7000125.4
273S40.5Very low40.7Very low86 Ų86159.8 Ų159.860%0.60179%0.791SS**  44.7134.6111.5-84.50000125.7
274E43.2Very low40.5Very low178 Ų178158.8 Ų158.883%0.83279%0.791SS**  61.6122.2129.5-63163.8101.400122.4
275E49.7Very low40.7Very low190 Ų190152.9 Ų152.989%0.88878%0.784SS**  -159.3178.7106.3-132.5-161.3126.100113.3
276C37.6Very low40.7Very low113 Ų113150 Ų15076%0.76478%0.775SS**  trans-64.3166.3-175-64.30000115
277G39.8Very low41.2Very low76 Ų76153.9 Ų153.978%0.78478%0.784SS**  cis106.993.57.800000113.5
278R42.7Very low41.1Very low218 Ų218148.9 Ų148.982%0.82378%0.776SS**  trans-149.1150.2166.6-158.9-170.2-71-107.30.3111.8
279K42.9Very low41.3Very low189 Ų189144.6 Ų144.682%0.82277%0.765SS**  trans-101.2-156.3173.9-66.7179.9171.4-179.10110.6
280E44.1Very low41.4Very low149 Ų149143.4 Ų143.470%0.69677%0.765SS**  trans95.398.5176.2-60131.8-126.800112.1
281E39Very low41.5Very low186 Ų186143.5 Ų143.587%0.86977%0.765SS**  cis106.8133.333.8-171.2166.1-177.400111.8
282W36.8Very low41.6Very low228 Ų228144 Ų14486%0.86477%0.772SS**  trans-80158-176.6-62.485.1000111.4
283P40.4Very low41.8Very low118 Ų118138.1 Ų138.177%0.76677%0.766SS**  -149.1166.510637.1-21.5000115.9
284V38.6Very low41.9Very low128 Ų128142.1 Ų142.178%0.77678%0.775SS**  trans-111.7130.9164.7174.70000109.2
285P43.4Very low41.8Very low120 Ų120140 Ų14078%0.77977%0.769SS**  trans-134.8149.6136.736-24.6000111.8
286G37Very low41.7Very low68 Ų68135 Ų13570%0.70176%0.755SS**  trans-122.3154.3-17900000113.7
287V47.2Very low42Very low153 Ų153136.8 Ų136.893%0.92775%0.752SS**  trans-151.7145.2160.8-93.40000109.5
288A37.2Very low42.1Very low90 Ų90139 Ų13974%0.74475%0.751SS**  trans-106.5-170.7168.700000108.1
289P48Very low42.3Very low101 Ų101135.4 Ų135.466%0.65675%0.747SS**  cis-142-172245.3-28.1000115.7
290K43.4Very low42.3Very low164 Ų164132.2 Ų132.271%0.71374%0.744SS**  trans64.9165.4157.9-73167.4167.6-105.70114.8
291E42.3Very low42.5Very low142 Ų142134.5 Ų134.566%0.66475%0.746SS**  cis-156.6158.9-12.7-116.2154.4-167.600104.2
292T43.8Very low42.7Very low123 Ų123132.7 Ų132.776%0.75574%0.738SS**  cis-167.117132.130.10000108.3
293A41Very low43Very low81 Ų81126.1 Ų126.167%0.66973%0.732SS**  trans64.7158.5150.900000118.7
294E41.2Very low43.2Very low169 Ų169128.9 Ų128.979%0.7973%0.734SS**  cis-166.7172.9-18.1-104.7167.6-122.200106.4
295L42.5Very low43.4Very low133 Ų133126 Ų12670%0.69673%0.73SS**  cis-155.9144.25.3-132.5170.5000108.9
296S47.5Very low43.6Very low87 Ų87126.7 Ų126.761%0.60873%0.728SS**  trans55.3172.4154.977.60000120
297E43.5Very low44Very low150 Ų150128.6 Ų128.670%0.70173%0.73SS**  cis-156.8123.25.8-149.2146.3151.700114.8
298T41.4Very low43.8Very low121 Ų121126.3 Ų126.374%0.74272%0.721SS**  trans60.9168.3153.166.80000119
299L47.5Very low44Very low144 Ų144126.5 Ų126.575%0.75472%0.723SS**  cis-155.6127.914.9-167.856.8000112.2
300T43.1Very low43.9Very low122 Ų122125.1 Ų125.175%0.74873%0.727SS**  trans62.6140.3143.2-650000121.1
301R47.2Very low44Very low197 Ų197123.3 Ų123.374%0.74373%0.729SS**  cis-175.9148.8-11.5169.7168.5-176-126.5-16.1110.8
302E44.7Very low43.9Very low148 Ų148124.6 Ų124.669%0.69274%0.735SS**  trans9.5154.6150.7-60.217514100121.6
303A42.9Very low43.7Very low90 Ų90122.6 Ų122.674%0.74473%0.731SS**  cis-159.2-172-700000106.5
304Q43.9Very low43.6Very low175 Ų175123 Ų12382%0.81874%0.735SS**  cis-158.2141.716.9-159.4164.5-1600105
305G43Very low43.6Very low67 Ų67123 Ų12369%0.69173%0.734SS**  86.3137.964.600000111
306N47.7Very low43.5Very low136 Ų136123.7 Ų123.773%0.72773%0.734SS**  cis-149171.27-66.632.4000111.4
307S45.8Very low43.3Very low108 Ų108130.3 Ų130.376%0.75575%0.746SS**  trans3.8154.8149.2600000121.3
308S42.1Very low43.2Very low105 Ų105128 Ų12873%0.73474%0.744SS**  cis-159.5146.233.6-157.60000109.1
309A40.9Very low43.5Very low94 Ų94128.4 Ų128.478%0.77775%0.746SS**  cis79.1118.933.500000114.6
310G47.5Very low43.5Very low72 Ų72130.3 Ų130.374%0.74275%0.751SS**  trans164.4150.3179.100000111.9
311V44.8Very low43.3Very low125 Ų125132 Ų13276%0.75876%0.755SS**  -171.2151.5-99150.40000109.6
312E40.9Very low43.1Very low170 Ų170125.5 Ų125.579%0.79475%0.749SS**  trans65.6154.9-179.1-64.5-55.596.200116.8
313A39.9Very low43.1Very low81 Ų81127.5 Ų127.567%0.66976%0.759SS**  cis-151.5138.6-5.800000107.1
314A38.7Very low43.3Very low90 Ų90134.2 Ų134.274%0.74477%0.765SS**  81.2155.371.900000115.4
315E40.6Very low43.2Very low168 Ų168129.4 Ų129.479%0.78576%0.763SS**  trans78.8140.5-170-52.3-149.9106.800116.3
316Q40.2Very low43.4Very low147 Ų147134.9 Ų134.969%0.68777%0.772SS**  cis-157125.6-8.8-118.1-17158.200112.8
317R43.8Very low43.8Very low227 Ų227137.5 Ų137.586%0.85778%0.777SS**  trans66.6161.6146.4-59.8-72.4-98.5158.7-5.1121
318P41.9Very low44.2Very low101 Ų101137.4 Ų137.466%0.65677%0.774SS**  trans-130.4174.9-153.544.6-30.4000116.7
319V45.9Very low44.4Very low130 Ų130139.1 Ų139.179%0.78878%0.78SS**  trans-179.3165.3139.4133.50000112
320E47.6Very low44.8Very low183 Ų183142.4 Ų142.486%0.85578%0.779SS**  trans77.5153-179.8-63.9-57.885.300119.8
321D39.7Very low44.9Very low158 Ų158142.2 Ų142.285%0.84578%0.778SS**  trans-116.4169-167-171.710.6000111.4
322G43.2Very low44.8Very low60 Ų60147.3 Ų147.362%0.61978%0.784SS**  trans149.579.7171.500000115.7
323E44.5Very low45.7Very low191 Ų191148 Ų14889%0.89378%0.784SS**  trans-56137.3172.6-59.8-171.4114.400113
324R46.2Very low45.8Very low230 Ų230155.3 Ų155.387%0.86879%0.794SS**  trans-145.884.9169.1-152.6171.6-60.7-92.9-2.4111.8
325G42Very low47.1Very low75 Ų75155.6 Ų155.677%0.77379%0.787SS**PPolyproline II helixtrans-60.7145.1-172.800000115.1
326M47.7Very low47.2Very low181 Ų181155.5 Ų155.589%0.89279%0.791SS**PPolyproline II helixtrans-83.6139.4173.5-71.5-66.9169.400111.3
327K55.6Low47.8Very low192 Ų192155.2 Ų155.284%0.83579%0.794SS**PPolyproline II helixtrans-81128-165.2-58.6167.7-177.7174.20113
328P55Low47.5Very low106 Ų106150.2 Ų150.269%0.68879%0.794SS**PPolyproline II helixtrans-76.2130148.931.7-29.7000109.2E330P328-E330 PolarHBondContact O-N 3.39Å; P328-E330 VanDerWaalsContact O-N 3.17Å
329T45.8Very low47.7Very low141 Ų141148.5 Ų148.587%0.86580%0.795SS**  trans-84.986.3176.6-52.50000110.4G331T329-G331 PolarHBondContact O-N 3.49Å
330E48.4Very low47.8Very low162 Ų162152.2 Ų152.276%0.75780%0.801SS**  trans-72.7113-179.6-63-163.4133.800112.4P328 W332P328-E330 PolarHBondContact O-N 3.39Å; P328-E330 VanDerWaalsContact O-N 3.17Å; E330-W332 PolarHBondContact O-N 3.41Å
331G49.5Very low47.4Very low69 Ų69148.6 Ų148.671%0.71180%0.802SS**  trans-73.3118.117700000112.3T329 K333T329-G331 PolarHBondContact O-N 3.49Å; G331-K333 PolarHBondContact O-N 3.15Å
332W43.3Very low48.1Very low231 Ų231150 Ų15088%0.87580%0.795SS**  trans-59.3106.1-179.2-70.3-4.6000113E330 W334E330-W332 PolarHBondContact O-N 3.41Å; W332-W334 PolarHBondContact O-N 3.26Å
333K60.7Low48.3Very low184 Ų184155.7 Ų155.780%0.881%0.806SS**  trans-99.385.7-173.7-174.1-177.3177.1-174.10110.5G331 T335G331-K333 PolarHBondContact O-N 3.15Å; K333-T335 PolarHBondContact O-N 3.24Å
334W41.9Very low48Very low235 Ų235156.6 Ų156.689%0.8980%0.801SS**  trans-63.896.3177.5-70.283000111.7W332 L336W332-W334 PolarHBondContact O-N 3.26Å; W334-L336 PolarHBondContact O-N 3.23Å
335T65Low47.8Very low96 Ų96150.8 Ų150.859%0.58979%0.791SS**  trans-75.9116.2168.645.80000109.7K333 N337K333-T335 PolarHBondContact O-N 3.24Å; T335-N337 PolarHBondContact O-N 3.32Å
336L43.4Very low47.7Very low167 Ų167153.3 Ų153.387%0.87479%0.794SS**  trans-7687.1-178.4-165.9145.5000110W334 S338W334-L336 PolarHBondContact O-N 3.23Å; L336-S338 PolarHBondContact O-N 3.06Å
337N52.5Low47.4Very low140 Ų140153.9 Ų153.975%0.74979%0.786SS**  trans-68.2111.3-179.3-72.9-12.3000110.7T335 G339T335-N337 PolarHBondContact O-N 3.32Å; N337-G339 PolarHBondContact O-N 2.96Å
338S38.7Very low46.4Very low123 Ų123151.3 Ų151.386%0.8678%0.782SS**  trans-74.867.2172.757.40000111.4L336L336-S338 PolarHBondContact O-N 3.06Å
339G46.2Very low46.4Very low65 Ų65153.7 Ų153.767%0.6779%0.787SS**  trans-88.9137.1173.100000111.5N337N337-G339 PolarHBondContact O-N 2.96Å
340K46.7Very low46.5Very low208 Ų208155.4 Ų155.490%0.90479%0.785SS**  trans-66.4136.5175.2-63.3-178.6-179.4-179.90109.8R342K340-R342 PolarHBondContact O-N 3.05Å; K340-R342 VanDerWaalsContact O-N 3.15Å
341A40.4Very low46.1Very low106 Ų106151.5 Ų151.588%0.87678%0.781SS**  trans-63.3115.5172.500000109.5E343A341-E343 PolarHBondContact O-N 3.4Å
342R54.5Low45.6Very low189 Ų189157 Ų15771%0.71379%0.788SS**  trans-88.897.5175.1-173.7-176.3-164.9-107.111.6107.9K340 W344K340-R342 PolarHBondContact O-N 3.05Å; K340-R342 VanDerWaalsContact O-N 3.15Å; R342-W344 VanDerWaalsContact NH1-CE2 3.26Å; R342-W344 VanDerWaalsContact NH1-NE1 3.14Å; R342-W344 PolarHBondContact O-N 3.29Å
343E46.6Very low45.3Very low179 Ų179152.1 Ų152.184%0.83678%0.784SS**  trans-59.3122.4172-171.5165.7-148.200109.5A341A341-E343 PolarHBondContact O-N 3.4Å
344W37.6Very low44.3Very low209 Ų209152.1 Ų152.179%0.79279%0.787SS**  trans-101.2103.9174.5-90.271.7000108.2R342R342-W344 VanDerWaalsContact NH1-CE2 3.26Å; R342-W344 VanDerWaalsContact NH1-NE1 3.14Å; R342-W344 PolarHBondContact O-N 3.29Å
345T41.5Very low43.9Very low109 Ų109148.7 Ų148.767%0.66978%0.778SS**  trans-85.8127.3162.525.30000109.4
346P41.2Very low42.9Very low127 Ų127149.8 Ų149.883%0.82579%0.787SS**  trans-71.3131.2168.429.8-32.1000109.3
347R41.1Very low42.5Very low193 Ų193148.8 Ų148.873%0.72878%0.778SS**  trans-139.6123.8168.1-80.8-162168-75.8-1.2110.8
348D35.2Very low42.5Very low139 Ų139147 Ų14774%0.74377%0.774SS**  trans3989.8135.3-43.3-44.1000117.3
349I54.2Low43Very low156 Ų156146.4 Ų146.480%0.877%0.767SS**  trans-133.9128.3157.3-43.4176.2000102.6
350E47.4Very low42.5Very low176 Ų176152.1 Ų152.182%0.82278%0.776SS**  cis-151.5124.134-150.9159.3-172.400107.3
351A41.4Very low42.4Very low81 Ų81147.9 Ų147.967%0.66977%0.773SS**  68.891.371.700000116.3
352Q37.2Very low42.4Very low183 Ų183147 Ų14786%0.85577%0.766SS**  trans67.9129.6161.1-55.2-174.586.200117.4
353T38.7Very low41.8Very low129 Ų129144.9 Ų144.979%0.79176%0.764SS**  -158.4135.377.6-68.10000113.7
354Q38.5Very low41.6Very low185 Ų185144.1 Ų144.186%0.86476%0.758SS**  trans15.2136161.5-57.4-173.86.300122.7
355K34.1Very low41.7Very low162 Ų162140.3 Ų140.370%0.70475%0.752SS**  trans-112.7142.9170.4168.6-175.7175.3-174.70111.2E357K355-E357 WeakPolarHBondContact CE-OE1 3.4Å; K355-E357 IonicContact NZ-OE1 3.17Å; K355-E357 PolarHBondContact NZ-OE1 3.33Å
356P43.6Very low41.6Very low119 Ų119141.4 Ų141.477%0.77375%0.753SS**  trans-115.7168.2149.217.12.9000113.3
357E35.9Very low41.3Very low146 Ų146143.3 Ų143.368%0.68275%0.751SS**  trans-97.9167.2-178-79.1-76.4147.400112.9K355K355-E357 WeakPolarHBondContact CE-OE1 3.4Å; K355-E357 IonicContact NZ-OE1 3.17Å; K355-E357 PolarHBondContact NZ-OE1 3.33Å
358P52.1Low41Very low104 Ų104139.5 Ų139.568%0.67575%0.754SS**  trans-100.5179.6-173.240.9-35.3000113.9
359P49.7Very low41.5Very low110 Ų110138.9 Ų138.971%0.71476%0.758SS**  trans-128.8125.5155.835.5-21.8000115.3
360E34.2Very low40.4Very low184 Ų184134.3 Ų134.386%0.8675%0.749SS**  46.6109.3124.5-55-174.9134.800122.2
361S45.4Very low40.3Very low120 Ų120132.5 Ų132.584%0.83975%0.75SS**  trans-162.8110138.4-74.80000107.3
362A41Very low40.3Very low88 Ų88136.4 Ų136.473%0.72775%0.754SS**  68.5124.181.200000113.2
363E42Very low40.4Very low144 Ų144132 Ų13267%0.67375%0.749SS**  cis-162.2146.32.1-106.7177.1124.900111.2
364K41.8Very low40.4Very low162 Ų162128.9 Ų128.970%0.70474%0.742SS**  trans52149.5135.4-60.5171.8-178.8164.80121.1
365L39.1Very low40.4Very low129 Ų129129.9 Ų129.968%0.67575%0.747SS**  cis-171.4144.7-7.4-107.7167.8000108.8
366L39.5Very low40.6Very low133 Ų133125.5 Ų125.570%0.69675%0.748SS**  trans64161.2153.9-54.2168.6000117.2
367E34.9Very low40.3Very low166 Ų166129.2 Ų129.278%0.77676%0.755SS**  cis-154.1171.8-12.5-122.8162.4151.100110.2
368S36.3Very low40.5Very low113 Ų113126.5 Ų126.579%0.7976%0.758SS**  trans-106.3152170.2-49.60000110
369P44Very low40.2Very low127 Ų127130 Ų13083%0.82577%0.765SS**  -137.5-16864.137.7-18.1000112.7
370G32.3Very low40.1Very low60 Ų60133 Ų13362%0.61977%0.767SS**  cis114.7144.5-2.500000114.4
371V43.8Very low40.5Very low138 Ų138130.7 Ų130.784%0.83676%0.756SS**  trans71.3146.7-1741190000113.5
372E43.2Very low40.4Very low163 Ų163133.7 Ų133.776%0.76276%0.757SS**  cis-141.1-172.37.4-118.1-48.3142.800110.4
373A39.4Very low40.4Very low89 Ų89133.6 Ų133.674%0.73676%0.756SS**  trans-63.9170.6166.200000113.6
374G37.4Very low40.2Very low64 Ų64130.2 Ų130.266%0.6676%0.76SS**  cis161.2-176.5-0.900000111.3
375E37.9Very low40.3Very low207 Ų207127 Ų12797%0.96776%0.764SS**  trans68163.8169.7-53.8-177.4178.300117.8
376G39.7Very low40.4Very low70 Ų70130.1 Ų130.172%0.72278%0.775SS**  trans86.488-175.200000113.8
377E37.7Very low40.6Very low196 Ų196127.5 Ų127.592%0.91678%0.78SS**  77.8130.169.4-67.6-143.4109.300116.4
378A40Very low41.2Very low90 Ų90131.6 Ų131.674%0.74479%0.788SS**  trans36.8115.7156.100000121.5
379E45.5Very low41.6Very low176 Ų176131.5 Ų131.582%0.82279%0.785SS**  -171.9143.899.6-92.1176.9160.200108.2
380K46.4Very low41.5Very low173 Ų173132.9 Ų132.975%0.75278%0.784SS**  49.9131.879.4-93.1176.1165.2-88.20112.8
381E43.3Very low41.8Very low136 Ų136141.1 Ų141.164%0.63680%0.797SS**  cis-166.2151.62-169.4166.1155.300109.6
382E42.4Very low41.5Very low184 Ų184139.4 Ų139.486%0.8680%0.797SS**  trans57.5163.3170.4-82.1-158.2122.500117.7
383A42Very low41.4Very low86 Ų86139.6 Ų139.671%0.71180%0.803SS**  cis-156.3165.1-25.300000108.6
384G38.5Very low41.6Very low73 Ų73142.7 Ų142.775%0.75380%0.802SS**  trans120.1110.5151.300000118.7
385A43.3Very low42.1Very low95 Ų95147.4 Ų147.479%0.78581%0.812SS**  78.2105.3129.100000121.5
386Q41.5Very low42.1Very low194 Ų194142.3 Ų142.391%0.90780%0.798SS**  trans74.799.3139.2-50.1-63.61.600119.8
387G43Very low42Very low77 Ų77144.7 Ų144.779%0.79480%0.803SS**  trans-157.1124.8160.300000110.7
388R48.3Very low42.2Very low252 Ų252140.5 Ų140.595%0.95180%0.795SS**  trans-76.1157.3-173.8-111.4-172.6144-159.9-4.9112.7
389P43.8Very low42.6Very low112 Ų112143.2 Ų143.273%0.72780%0.802SS**  trans-97.7173.1-163.840-37.8000113.9
390L41.9Very low42.7Very low155 Ų155139.9 Ų139.981%0.81280%0.795SS**  trans-168.2124.2147.8-110.7177.2000112.8
391R39.1Very low42.5Very low233 Ų233137.2 Ų137.288%0.87980%0.798SS**  trans143.9151.2140.9-77.2157.6-162.8-96.1-0.7114
392A37.4Very low42.7Very low103 Ų103136.2 Ų136.285%0.85180%0.804SS**  trans58.9102.5167.500000118.7
393L40.4Very low42.7Very low167 Ų167135.4 Ų135.487%0.87481%0.805SS**  trans-122.6144.5152.1-160.679.2000109.8
394Q45Very low43.6Very low153 Ų153136.4 Ų136.472%0.71580%0.804SS**  trans-76.2147.7-172.7-52.3120.7-15.900112.8
395N46.9Very low44.3Very low163 Ų163138.9 Ų138.987%0.87281%0.807SS**  trans-9981.6161.4-96.1-35.5000110.1C397N395-C397 PolarHBondContact O-N 2.89Å
396C37.1Very low44.6Very low100 Ų100143.3 Ų143.368%0.67681%0.811SS**  trans-90.979.1177.2-69.20000111.2S398C396-S398 PolarHBondContact O-N 3.15Å
397C39.5Very low44.9Very low121 Ų121142 Ų14282%0.81881%0.81SS**  trans-75.968.6177.7-63.20000112.8N395N395-C397 PolarHBondContact O-N 2.89Å
398S41.5Very low45Very low108 Ų108142.5 Ų142.576%0.75581%0.807SS**  trans-109.5110.7168.7-68.20000110.1C396C396-S398 PolarHBondContact O-N 3.15Å
399V47.9Very low44.8Very low146 Ų146133.8 Ų133.889%0.88580%0.795SS**  trans-107.2116.1175.7178.40000109
400P47.8Very low45Very low106 Ų106135.5 Ų135.569%0.68880%0.804SS**  trans-107.6149.2-178.837.3-30.9000114.2
401S42.2Very low45.1Very low117 Ų117132 Ų13282%0.81881%0.806SS**  trans68.2169.5153.3-62.90000117.6
402P46.9Very low45.2Very low116 Ų116124.3 Ų124.375%0.75380%0.798SS**  cis-123.5173.3-0.641-27.4000115.7
403L42.1Very low45.7Very low167 Ų167127.6 Ų127.687%0.87480%0.801SS**  trans-133.8134.2159.4-82.9171.3000109.1
404P61.4Low45.7Very low107 Ų107128.4 Ų128.470%0.69579%0.792SS**  trans-88.1153.6173.635.3-33.7000112.3
405P53.7Low45.6Very low125 Ų125127.9 Ų127.981%0.81279%0.79SS**  trans-106.6124.5171.235.5-26.6000112.6
406E49.6Very low45.2Very low188 Ų188126.9 Ų126.988%0.87978%0.78SS**  trans-139.5111.1171.8-67.7-172.8110.400111.3
407D47.5Very low45.4Very low166 Ų166130.5 Ų130.589%0.88879%0.787SS**  157.8165.4119-161.521.5000112.7
408A45.3Very low45.6Very low87 Ų87132.4 Ų132.472%0.71978%0.784SS**  trans-34.5152.1-170.500000120.2
409G44.1Very low45.6Very low69 Ų69135.7 Ų135.771%0.71179%0.787SS**  cis154.4-176.2-2.600000114.5
410T48.4Very low45Very low148 Ų148133.1 Ų133.191%0.90878%0.782SS**  trans83.797.4166.5-45.10000119.7
411G42.6Very low44.8Very low83 Ų83134.8 Ų134.886%0.85679%0.789SS**  trans85.1133.4141.400000118.9
412G42.4Very low44.4Very low70 Ų70137.9 Ų137.972%0.72279%0.791SS**  cis155.8148.8-10.100000113.8
413L46.7Very low44.3Very low173 Ų173140.4 Ų140.491%0.90680%0.797SS**  trans70.1147.5172.3-56.9171000116.3
414R41.1Very low44.2Very low184 Ų184141.3 Ų141.369%0.69480%0.797SS**  cis-172126.8-15162.6179.1177-81.72.8110.5
415Q43.5Very low43.3Very low142 Ų142141.1 Ų141.166%0.66480%0.795SS**  trans65.5159.4158.7-78.3171.7-5.600117.3
416Q38.9Very low43.7Very low142 Ų142140.8 Ų140.866%0.66479%0.794SS**  cis-160.5123.4-5.2156.2-173-11.300105.3
417E39.8Very low43.9Very low175 Ų175137.6 Ų137.682%0.81879%0.789SS**  81.2169.989.6-145.5167.683.600114
418E43.5Very low43.8Very low162 Ų162135.8 Ų135.876%0.75779%0.786SS**  trans6797.7-170.8-101.3163.390.200115.1
419E41.4Very low43.8Very low177 Ų177136 Ų13683%0.82779%0.788SS**  81.49476.4-164.7173.6126.200111.3
420A35.3Very low43.7Very low92 Ų92138.6 Ų138.676%0.7679%0.793SS**  74.382.167.200000114.9
421V43.4Very low43.4Very low140 Ų140139.2 Ų139.285%0.84879%0.79SS**  trans-130.3126.1153178.30000109.6
422E34.4Very low43.9Very low182 Ų182140.6 Ų140.685%0.8579%0.786SS**  trans-88.7122.1176.6171.3-169.6135.400110.4
423L44.4Very low44.9Very low170 Ų170143.1 Ų143.189%0.8979%0.789SS**  trans-153.7162.5161.4-83.3-168.1000112.4
424Q40.7Very low45.9Very low185 Ų185140.4 Ų140.486%0.86478%0.782SS**PPolyproline II helixtrans-67.8162-165.3-99.8-163.3-95.300117.8
425P42.8Very low47.2Very low103 Ų103137.2 Ų137.267%0.66979%0.786SS**PPolyproline II helixtrans-99.8160.7-176.839.3-35.9000115.5
426P61.6Low48Very low119 Ų119136.6 Ų136.677%0.77379%0.794SS**PPolyproline II helixtrans-95.6147.7160.136.2-31.1000112.9
427P53.4Low49.1Very low121 Ų121134.1 Ų134.179%0.78680%0.797SS**  trans-94.2-176.7174.743.8-39.3000111.1
428P46Very low50Low127 Ų127131.9 Ų131.983%0.82580%0.798SS**  -116.6158.3-100.630.8-12.1000114.8
429A46.5Very low50.1Low92 Ų92131 Ų13176%0.7680%0.804SS**  trans-119.2122.6173.500000111.5
430P40.5Very low50.7Low124 Ų124126.5 Ų126.581%0.80580%0.797SS**  trans-89.7132-177.933.7-32.6000112.2
431L42.2Very low51.8Low161 Ų161128 Ų12884%0.84380%0.799SS**  trans-132.5131.6176.2-70.3175.5000112.9
432S53.5Low52.2Low112 Ų112129.9 Ų129.978%0.78380%0.798SS**  trans66.398.3160.3-57.40000119.1
433P62.4Low53.5Low122 Ų122126.3 Ų126.379%0.79279%0.791SS**PPolyproline II helixtrans-74.6154.3162.133-34.5000111.9
434P67.8Low54.2Low116 Ų116124.3 Ų124.375%0.75379%0.788SS**PPolyproline II helixtrans-71.9156174.830.8-35.4000112.5
435P69.1Low54.5Low118 Ų118118.9 Ų118.977%0.76678%0.782SS**PPolyproline II helixtrans-70.3151.1-177.829.3-35.8000113
436P59.6Low54.9Low129 Ų129119 Ų11984%0.83878%0.777SS**PPolyproline II helixtrans-69.1135.918028.6-34.7000112.2
437A62.9Low55Low89 Ų89117.8 Ų117.874%0.73677%0.769SS**PPolyproline II helixtrans-71.6147.7176.200000112
438P59.4Low55.1Low128 Ų128118 Ų11883%0.83176%0.763SS**PPolyproline II helixtrans-68.3136.3-177.127.6-35000112.5A440P438-A440 PolarHBondContact O-N 2.77Å
439T44.9Very low55.4Low144 Ų144119.1 Ų119.188%0.88376%0.759SS**  trans-65.8102.3177.1-48.90000111.1
440A53Low55.7Low82 Ų82119.2 Ų119.268%0.67875%0.754SS**PPolyproline II helixtrans-67.8137.617000000110.4P438 Q442P438-A440 PolarHBondContact O-N 2.77Å; A440-Q442 PolarHBondContact O-N 3.06Å
441P59.8Low56.5Low124 Ų124123.4 Ų123.481%0.80575%0.754SS**PPolyproline II helixtrans-68.1133.2-178.927.6-34.1000111
442Q51Low57.2Low179 Ų179122.2 Ų122.284%0.83675%0.748SS**PPolyproline II helixtrans-64.8136.4169.6-71.9-127.3-3300110.2A440A440-Q442 PolarHBondContact O-N 3.06Å
443P63Low57.3Low107 Ų107125.1 Ų125.170%0.69575%0.747SS**PPolyproline II helixtrans-65.1141.4165.229.5-33.2000109.1G445P443-G445 PolarHBondContact O-N 3.14Å
444P58Low56.5Low128 Ų128129.9 Ų129.983%0.83175%0.751SS**PPolyproline II helixtrans-61.7124.7178.625.5-33.5000110.2D446P444-D446 PolarHBondContact O-N 2.97Å
445G46.6Very low55.4Low72 Ų72127.9 Ų127.974%0.74275%0.751SS**PPolyproline II helixtrans-64.9129-176.500000112.3P443 P447P443-G445 PolarHBondContact O-N 3.14Å; G445-P447 VanDerWaalsContact O-CD 3.32Å; G445-P447 WeakPolarHBondContact O-CD 3.43Å
446D51.2Low54.3Low105 Ų105129 Ų12956%0.56176%0.756SS**  trans-70.4110.1-172.5-151.4-29.6000111.3P444 L448 M449P444-D446 PolarHBondContact O-N 2.97Å; D446-L448 PolarHBondContact O-N 3.01Å; D446-M449 PolarHBondContact O-N 3.01Å
447P63.8Low54.1Low93 Ų93132.6 Ų132.660%0.60476%0.758SS**THydrogen-bonded Turntrans-71.1-4.1-167.929.6-36.4000113.8G445G445-P447 VanDerWaalsContact O-CD 3.32Å; G445-P447 WeakPolarHBondContact O-CD 3.43Å
448L56.7Low53.2Low126 Ų126133.7 Ų133.766%0.6677%0.767SS**THydrogen-bonded Turntrans-79.1-33.3178.4-65174.7000113D446D446-L448 PolarHBondContact O-N 3.01Å
449M51.7Low52.4Low150 Ų150130.6 Ų130.674%0.73976%0.759SS**THydrogen-bonded Turntrans-73.3-34.8-178.8-64.9-158.475.400112.6D446 R451D446-M449 PolarHBondContact O-N 3.01Å; M449-R451 PolarHBondContact O-N 3.34Å
450S52.4Low52.5Low94 Ų94130.7 Ų130.766%0.65776%0.761SS**G310 helixtrans-67.2-20.3178.7-50.80000113.8
451R58.1Low52.2Low212 Ų212130 Ų13080%0.876%0.762SS**G310 helixtrans-82.5-7.5-176.3-83.6-174.5160.6-135.8-4.8115.1M449M449-R451 PolarHBondContact O-N 3.34Å
452L57.5Low51.9Low137 Ų137131.4 Ų131.472%0.71777%0.768SS**G310 helixtrans-90.8-7.6-174.7-66.7175.4000115
453F54.8Low51.6Low173 Ų173126.3 Ų126.376%0.75976%0.764SS**SBendtrans-127.3-9.4-171-72.6-79.3000116.7
454Y45.6Very low51Low222 Ų222125.6 Ų125.687%0.87177%0.767SS**  trans-129.490.4176.3-74.1-80.6000111.5
455G44.4Very low50.9Low74 Ų74125.6 Ų125.676%0.76377%0.767SS**  trans-150.216-175.900000115.3K457G455-K457 PolarHBondContact O-N 3.27Å
456V46.1Very low51.3Low142 Ų142131 Ų13186%0.86177%0.765SS**  trans-78.8101.7178.5178.80000110.5
457K55Low51.4Low203 Ų203138.3 Ų138.388%0.88379%0.785SS**  trans-137.8130.3158.5-66.5-63.4173.8-1740108.3G455G455-K457 PolarHBondContact O-N 3.27Å
458A44.2Very low50.8Low112 Ų112139 Ų13993%0.92679%0.792SS**  trans-80.3143.5-171.700000112.5
459G43.1Very low50.7Low64 Ų64136.4 Ų136.466%0.6680%0.796SS**  trans-151.7149.8169.800000109.6
460P47.2Very low50.5Low145 Ų145137.2 Ų137.294%0.94280%0.797SS**  trans-93.5129.4-152.3-7.527.2000114.5
461G45.8Very low50.8Low68 Ų68138.3 Ų138.370%0.70180%0.8SS**  trans128.2147.615800000116.1
462V53.7Low51.3Low153 Ų153135.4 Ų135.493%0.92779%0.794SS**  trans64.9104.6176.1-167.70000114.8
463G44.2Very low51.8Low72 Ų72134.1 Ų134.174%0.74279%0.792SS**  trans-81.4168.2-177.500000115.5
464A50.5Low52.7Low92 Ų92131.1 Ų131.176%0.7679%0.787SS**  trans-69146.4-172.900000114.7R466A464-R466 PolarHBondContact O-N 2.97Å
465P57.5Low53.8Low128 Ų128126.9 Ų126.983%0.83178%0.78SS**  trans-70.3115.1168.929.2-32.9000110.5R467P465-R467 PolarHBondContact O-N 3.44Å
466R55Low55Low187 Ų187128.5 Ų128.571%0.70678%0.777SS**  trans-63.2127.9180-70.1-171.4177.2-165.72.7111.6A464 S468 I540A464-R466 PolarHBondContact O-N 2.97Å; R466-S468 PolarHBondContact O-N 3.32Å; R466-S468 VanDerWaalsContact O-N 3.09Å; R466-I540 PolarHBondContact NH2-O 2.87Å
467R51.2Low55.9Low258 Ų258133.6 Ų133.697%0.97478%0.78SS**  trans-73.192.3166.2-79.7171.858.2-146.3-1.7110.4P465P465-R467 PolarHBondContact O-N 3.44Å
468S52.8Low55.9Low107 Ų107135.3 Ų135.375%0.74878%0.781SS**  trans-141.2109.6171.557.10000111.1R466R466-S468 PolarHBondContact O-N 3.32Å; R466-S468 VanDerWaalsContact O-N 3.09Å
469G54.1Low56.3Low72 Ų72135.4 Ų135.474%0.74278%0.775SS**  trans-177.854.6-172.600000113.2T471G469-T471 PolarHBondContact O-N 3.24Å; G469-T471 VanDerWaalsContact O-N 3.16Å
470H47.9Very low57.2Low166 Ų166138.7 Ų138.777%0.76978%0.782SS**  trans-72.3104.5174.4-178.286.1000109.7F472H470-F472 AromaticContact NE2-CD1 3.64Å
471T57.8Low58Low118 Ų118136.5 Ų136.572%0.72477%0.768SS**  trans-143.8115.3171.9-61.70000107.6G469G469-T471 PolarHBondContact O-N 3.24Å; G469-T471 VanDerWaalsContact O-N 3.16Å
472F70Confident58.8Low151 Ų151139.7 Ų139.766%0.66278%0.776SS**  trans-107.1113.4179.365.9-82.9000108.9H470 V474H470-F472 AromaticContact NE2-CD1 3.64Å; F472-V474 HydrophobicContact CD2-CG2 3.63Å; F472-V474 HydrophobicContact CE2-CG2 3.82Å; F472-V474 PolarHBondContact O-N 3.4Å
473T67.5Low58.5Low110 Ų110136.6 Ų136.668%0.67577%0.767SS**  trans-90.5102.9178.9-53.20000109.5N475T473-N475 PolarHBondContact O-N 3.47Å
474V73.8Confident58.6Low109 Ų109140 Ų14066%0.66177%0.773SS**  trans-83.799.1172.9-171.90000108.9F472 P476F472-V474 HydrophobicContact CD2-CG2 3.63Å; F472-V474 HydrophobicContact CE2-CG2 3.82Å; F472-V474 PolarHBondContact O-N 3.4Å; V474-P476 WeakPolarHBondContact O-CD 3.34Å
475N67.7Low58.5Low134 Ų134141.7 Ų141.772%0.71778%0.776SS**  trans-91103.4167.6-79.5-51.7000109.4T473 R477T473-N475 PolarHBondContact O-N 3.47Å; N475-R477 PolarHBondContact O-N 3.17Å; N475-R477 VanDerWaalsContact O-N 3.12Å
476P69.2Low57.7Low108 Ų108139.9 Ų139.970%0.70177%0.773SS**  trans-69.5108.3172.528.8-33.4000109.4V474 R478V474-P476 WeakPolarHBondContact O-CD 3.34Å; P476-R478 PolarHBondContact O-N 3.03Å
477R65.8Low57.2Low249 Ų249137.4 Ų137.494%0.9478%0.778SS**  trans-61.3103.1170.3-79.7-172.7165.9-155.4-4.7109.1N475 S479N475-R477 PolarHBondContact O-N 3.17Å; N475-R477 VanDerWaalsContact O-N 3.12Å; R477-S479 PolarHBondContact O-N 2.99Å
478R54.7Low56.7Low238 Ų238130.6 Ų130.690%0.89877%0.768SS**PPolyproline II helixtrans-65.2127.1167.5-61.3-177.478.5-165.24.8107.8P476P476-R478 PolarHBondContact O-N 3.03Å
479S52.4Low56.3Low114 Ų114132.6 Ų132.680%0.79778%0.775SS**PPolyproline II helixtrans-63.9139.7171.239.30000110.2R477 P481R477-S479 PolarHBondContact O-N 2.99Å; S479-P481 WeakPolarHBondContact O-CD 3.26Å
480V61.8Low55.5Low134 Ų134134.5 Ų134.581%0.81278%0.778SS**PPolyproline II helixtrans-72.8123171.7175.40000108.3
481P65.6Low55.5Low99 Ų99132.6 Ų132.664%0.64378%0.78SS**PPolyproline II helixtrans-77.4137.2166.332-31.5000109.5S479 A483S479-P481 WeakPolarHBondContact O-CD 3.26Å; P481-A483 PolarHBondContact O-N 3.18Å
482P62.5Low54.6Low134 Ų134131.2 Ų131.287%0.8778%0.781SS**PPolyproline II helixtrans-67.6131.4170.729-33.2000109.6
483A46.2Very low53Low88 Ų88130 Ų13073%0.72779%0.785SS**  trans-124.1120.2-176.500000111.5P481P481-A483 PolarHBondContact O-N 3.18Å
484T47.5Very low51.7Low144 Ų144131 Ų13188%0.88379%0.791SS**  trans-160.3152.7155.2240000109.5
485P47.3Very low50.1Low127 Ų127133.2 Ų133.283%0.82580%0.8SS**  trans-134.7159-140.840.7-24.3000118.2
486A40.8Very low48.6Very low91 Ų91131.3 Ų131.375%0.75280%0.802SS**  trans-169.5147.6154.700000107.9
487T43.8Very low47.1Very low135 Ų135130.6 Ų130.683%0.82881%0.806SS**  cis-154.8156.2-10.97.80000107.8
488P42.2Very low46.2Very low115 Ų115125.1 Ų125.175%0.74780%0.8SS**  trans-98.6157.1-167.437.3-35000115.8
489T44.3Very low46.2Very low148 Ų148120.1 Ų120.191%0.90880%0.798SS**  trans-150.4148.2159.9-67.10000110.8
490S37.3Very low46Very low113 Ų113117.5 Ų117.579%0.7979%0.789SS**  trans-56.7165.3-163.7-69.50000120.1
491P46.5Very low45.2Very low125 Ų125116.7 Ų116.781%0.81280%0.796SS**  trans-103164.8-177.240.7-35.9000115.4
492A38.9Very low44.6Very low90 Ų90114.6 Ų114.674%0.74479%0.792SS**  trans-159.4123.9157.100000113.7
493T36.6Very low45Very low124 Ų124117.7 Ų117.776%0.76179%0.792SS**  trans46.8124132.4-35.80000122.6
494V41.8Very low46.5Very low133 Ų133124.2 Ų124.281%0.80680%0.804SS**  trans53.8152.3164.4-600000117.7
495D39Very low48.4Very low155 Ų155126.8 Ų126.883%0.82980%0.798SS**  cis-148.2-171.816.7-154.8-16.1000111A497D495-A497 PolarHBondContact O-N 3.05Å
496A36.7Very low50.4Low93 Ų93131 Ų13177%0.76980%0.798SS**  trans-75.5117.1-177.300000114.5
497A37.9Very low52.6Low94 Ų94130.1 Ų130.178%0.77779%0.785SS**  trans-154133.8161.300000114.3D495D495-A497 PolarHBondContact O-N 3.05Å
498V46.5Very low54.6Low134 Ų134126.6 Ų126.681%0.81276%0.764SS**  trans-9.7112.6161.6-175.70000117.8
499P54.1Low56.6Low133 Ų133125.3 Ų125.386%0.86476%0.762SS**  trans-87.1124.5142.533.2-26.7000108.7
500G49.1Very low58.4Low59 Ų59126.8 Ų126.861%0.60876%0.759SS**  cis148.998.17.300000106.9G502G500-G502 PolarHBondContact O-N 2.84Å
501A45.6Very low60.8Low116 Ų116127 Ų12796%0.95975%0.747SS**  trans-65.7128-168.700000112.4
502G53Low62.4Low55 Ų55125.4 Ų125.457%0.56773%0.732SS**  trans136.9133.4170.600000114.1G500G500-G502 PolarHBondContact O-N 2.84Å
503K69.1Low64.3Low200 Ų200128 Ų12887%0.8773%0.732SS**SBendtrans73.1125.3-173.2-50.4128.9-172170.90113.1R505K503-R505 PolarHBondContact O-N 2.72Å
504K78.7Confident66.3Low224 Ų224127.5 Ų127.597%0.97473%0.728SS**  trans-71.3100.6-179.8-63.5-165.1179.9-170.90110.3
505R87.9Confident67.7Low199 Ų199128.9 Ų128.975%0.75173%0.731SS**PPolyproline II helixtrans-99.8147.2167-56.8-178.281.9-109.77.8108.6K503K503-R505 PolarHBondContact O-N 2.72Å
506Y87.6Confident69.2Low214 Ų214125.7 Ų125.784%0.83973%0.734SS**PPolyproline II helixtrans-71.3146.9165.7-64.4-79000109.4
507P88.2Confident71Confident74 Ų74123.3 Ų123.348%0.48172%0.718SS.*PPolyproline II helixtrans-63.1144178.325.4-33.5000111.5E511 I512P507-E511 WeakPolarHBondContact CA-OE2 3.43Å; P507-E511 HydrophobicContact CB-CB 4.09Å; P507-E511 WeakPolarHBondContact CB-OE2 3.33Å; P507-I512 HydrophobicContact CB-CG1 4.07Å; P507-I512 HydrophobicContact CG-CD1 4.19Å; P507-I512 HydrophobicContact CG-CG1 3.96Å
508T85.6Confident72.4Confident61 Ų61125.2 Ų125.237%0.37471%0.706SS.*PPolyproline II helixtrans-68.5153.9176.2-48.10000110E510 E511 I512T508-E510 PolarHBondContact O-N 2.96Å; T508-E511 WeakPolarHBondContact CB-OE1 3.45Å; T508-E511 PolarHBondContact N-OE1 3.18Å; T508-E511 PolarHBondContact N-OE2 3.29Å; T508-E511 WeakPolarHBondContact O-CA 3.38Å; T508-E511 WeakPolarHBondContact O-CB 3.47Å; T508-E511 PolarHBondContact O-N 3.2Å; T508-E511 PolarHBondContact OG1-OE1 3.26Å; T508-I512 PolarHBondContact O-N 2.96Å
509A84.4Confident73.5Confident87 Ų87127.5 Ų127.572%0.71971%0.713SS**THydrogen-bonded Turntrans-55.6-27.7-178.400000114.2
510E82.8Confident74.3Confident179 Ų179130.1 Ų130.184%0.83671%0.706SS**THydrogen-bonded Turntrans-80-20.9176.7-67.8160.9-153.100113.2T508T508-E510 PolarHBondContact O-N 2.96Å
511E86.4Confident75.3Confident117 Ų117133.6 Ų133.655%0.54771%0.71SS.*THydrogen-bonded Turntrans-82.5-17.9174.8-60.3159.3-14800111.7P507 T508 L513P507-E511 WeakPolarHBondContact CA-OE2 3.43Å; P507-E511 HydrophobicContact CB-CB 4.09Å; P507-E511 WeakPolarHBondContact CB-OE2 3.33Å; T508-E511 WeakPolarHBondContact CB-OE1 3.45Å; T508-E511 PolarHBondContact N-OE1 3.18Å; T508-E511 PolarHBondContact N-OE2 3.29Å; T508-E511 WeakPolarHBondContact O-CA 3.38Å; T508-E511 WeakPolarHBondContact O-CB 3.47Å; T508-E511 PolarHBondContact O-N 3.2Å; T508-E511 PolarHBondContact OG1-OE1 3.26Å; E511-L513 PolarHBondContact O-N 2.92Å
512I79.9Confident76.5Confident93 Ų93132.4 Ų132.448%0.47769%0.694SS.*  trans-87.385.8-176.3-58.1170.4000110.3P507 T508 V514P507-I512 HydrophobicContact CB-CG1 4.07Å; P507-I512 HydrophobicContact CG-CD1 4.19Å; P507-I512 HydrophobicContact CG-CG1 3.96Å; T508-I512 PolarHBondContact O-N 2.96Å; I512-V514 HydrophobicContact CG2-CG2 4.35Å; I512-V514 PolarHBondContact O-N 3.33Å
513L79.3Confident77.3Confident144 Ų144138.3 Ų138.375%0.75470%0.699SS**  trans-72.5106.4171.4-65.3176.9000111.1E511 L515E511-L513 PolarHBondContact O-N 2.92Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 3.26Å
514V78.9Confident77.4Confident113 Ų113129.7 Ų129.769%0.68567%0.665SS**  trans-7877.3179.5-172.60000111.3I512 G516 G517I512-V514 HydrophobicContact CG2-CG2 4.35Å; I512-V514 PolarHBondContact O-N 3.33Å; V514-G516 PolarHBondContact O-N 3.31Å; V514-G517 PolarHBondContact O-N 2.79Å
515L72.1Confident77Confident163 Ų163124.8 Ų124.885%0.85366%0.657SS**THydrogen-bonded Turntrans-62.4131.5170.5-59.9177.5000110.2L513L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 3.26Å
516G70.5Confident76.1Confident88 Ų88121.9 Ų121.991%0.90766%0.656SS**THydrogen-bonded Turntrans84.60.2-178.600000115.9V514V514-G516 PolarHBondContact O-N 3.31Å
517G73.1Confident75.2Confident42 Ų42113 Ų11343%0.43363%0.627SS.*  trans-72.8146172.400000113.3V514 L519V514-G517 PolarHBondContact O-N 2.79Å; G517-L519 PolarHBondContact O-N 3.48Å; G517-L519 VanDerWaalsContact O-N 3.14Å
518Y68.1Low74.3Confident134 Ų134119.4 Ų119.453%0.52565%0.647SS.*  trans-69.1109.1166.2-75.8-83.5000109.7R520 R523Y518-R520 CarbonylContact O-C 3.57Å; Y518-R520 PolarHBondContact O-N 2.99Å; Y518-R523 HydrophobicContact CD1-CB 3.47Å; Y518-R523 VanDerWaalsContact CD1-CB 3.47Å; Y518-R523 WeakPolarHBondContact CD2-O 3.5Å; Y518-R523 HydrophobicContact CE1-CB 4.07Å; Y518-R523 HydrophobicContact CG-CB 3.93Å
519L69.2Low73.1Confident182 Ų182119 Ų11995%0.95366%0.655SS**SBendtrans-57.7-7.5-177.9-146.978.6000115.3G517G517-L519 PolarHBondContact O-N 3.48Å; G517-L519 VanDerWaalsContact O-N 3.14Å
520R71.7Confident71.9Confident189 Ų189116.4 Ų116.471%0.71363%0.632SS**SBendtrans-125.8122.9170.5-67.5-178.4177.3172-0.6108.7Y518 S522 R523Y518-R520 CarbonylContact O-C 3.57Å; Y518-R520 PolarHBondContact O-N 2.99Å; R520-S522 PolarHBondContact O-N 3.09Å; R520-S522 VanDerWaalsContact O-N 3.08Å; R520-R523 PolarHBondContact O-N 3.25Å
521L69Low71Confident131 Ų131112.1 Ų112.169%0.68662%0.619SS**G310 helixtrans-50.5-37.8-178.9-177.565.4000112.6R523 S524L521-R523 PolarHBondContact O-N 2.96Å; L521-S524 VanDerWaalsContact O-CB 3.27Å; L521-S524 WeakPolarHBondContact O-CB 3.43Å; L521-S524 PolarHBondContact O-N 3.03Å; L521-S524 PolarHBondContact O-OG 3.35Å
522S70.5Confident69.9Low91 Ų91114.3 Ų114.364%0.63663%0.629SS**G310 helixtrans-65.1-14178.448.70000115.7R520R520-S522 PolarHBondContact O-N 3.09Å; R520-S522 VanDerWaalsContact O-N 3.08Å
523R69.9Low68.9Low179 Ų179119.2 Ų119.268%0.67564%0.642SS**G310 helixtrans-98.8-9.4168.7-65.7-170.869.3-173.41.7113.5Y518 R520 L521Y518-R523 HydrophobicContact CD1-CB 3.47Å; Y518-R523 VanDerWaalsContact CD1-CB 3.47Å; Y518-R523 WeakPolarHBondContact CD2-O 3.5Å; Y518-R523 HydrophobicContact CE1-CB 4.07Å; Y518-R523 HydrophobicContact CG-CB 3.93Å; R520-R523 PolarHBondContact O-N 3.25Å; L521-R523 PolarHBondContact O-N 2.96Å
524S71.9Confident68Low20 Ų20118.6 Ų118.614%0.1464%0.635CS.*SBendtrans-70154.7-17978.10000112.7L521 L526 A527L521-S524 VanDerWaalsContact O-CB 3.27Å; L521-S524 WeakPolarHBondContact O-CB 3.43Å; L521-S524 PolarHBondContact O-N 3.03Å; L521-S524 PolarHBondContact O-OG 3.35Å; S524-L526 PolarHBondContact O-N 3.38Å; S524-L526 PolarHBondContact OG-N 3.16Å; S524-A527 WeakPolarHBondContact O-CB 3.32Å; S524-A527 PolarHBondContact O-N 3.01Å; S524-A527 PolarHBondContact OG-N 2.83Å
525C69.6Low67.1Low120 Ų120120.5 Ų120.581%0.81164%0.636SS**THydrogen-bonded Turntrans-66.3-13.9168.854.50000113.5A527C525-A527 VanDerWaalsContact C-N 3.35Å
526L68.5Low66.8Low139 Ų139120.8 Ų120.873%0.72863%0.63SS**THydrogen-bonded Turntrans-85.5-5.4178.3-57.7179.6000113.2S524 K528S524-L526 PolarHBondContact O-N 3.38Å; S524-L526 PolarHBondContact OG-N 3.16Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.45Å
527A70.3Confident66.8Low28 Ų28124.9 Ų124.923%0.23163%0.626CS.*  trans-70.675.2-178.500000113.5S524 C525 G529S524-A527 WeakPolarHBondContact O-CB 3.32Å; S524-A527 PolarHBondContact O-N 3.01Å; S524-A527 PolarHBondContact OG-N 2.83Å; C525-A527 VanDerWaalsContact C-N 3.35Å; A527-G529 PolarHBondContact O-N 2.94Å
528K67.5Low66.9Low208 Ų208130 Ų13090%0.90464%0.642SS**THydrogen-bonded Turntrans-59.6115.3163.6-65.5179.6-179.1176.30108.6L526L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.45Å
529G62.4Low67.5Low52 Ų52132.2 Ų132.254%0.53666%0.655SS.*THydrogen-bonded Turntrans109.510.6177.200000116.9A527 P531A527-G529 PolarHBondContact O-N 2.94Å; G529-P531 WeakPolarHBondContact O-CD 3.27Å
530S58.6Low68Low33 Ų33128.3 Ų128.323%0.23163%0.634CS.*  trans-61121169.8176.30000110.6E532 R533 H534S530-E532 PolarHBondContact O-N 3.4Å; S530-R533 PolarHBondContact O-N 3.49Å; S530-H534 PolarHBondContact O-CD2 2.96Å; S530-H534 PolarHBondContact O-N 2.83Å
531P62.6Low68.5Low89 Ų89124.3 Ų124.358%0.57864%0.635SS**G310 helixtrans-61-34.4-175.923.5-33.1000112.1G529 R533 H534 H535G529-P531 WeakPolarHBondContact O-CD 3.27Å; P531-R533 PolarHBondContact O-N 3.25Å; P531-H534 PolarHBondContact O-N 3.13Å; P531-H535 PolarHBondContact O-CD2 2.89Å; P531-H535 PolarHBondContact O-NE2 2.82Å
532E63.6Low69.2Low162 Ų162124.6 Ų124.676%0.75763%0.631SS**G310 helixtrans-45.8-35.3171.4-153.975.5-127.300113.5S530S530-E532 PolarHBondContact O-N 3.4Å
533R60.3Low69.8Low197 Ų197123.6 Ų123.674%0.74362%0.624SS**G310 helixtrans-96.2-14-178.8-60.4-171.8-172.1-110.24.1113.7S530 P531 H535S530-R533 PolarHBondContact O-N 3.49Å; P531-R533 PolarHBondContact O-N 3.25Å; R533-H535 PolarHBondContact O-N 2.89Å
534H59.8Low70.3Confident130 Ų130122.6 Ų122.660%0.60263%0.627SS**THydrogen-bonded Turntrans-73.9-5.1-177.6-96.2-90.7000114.4S530 P531S530-H534 PolarHBondContact O-CD2 2.96Å; S530-H534 PolarHBondContact O-N 2.83Å; P531-H534 PolarHBondContact O-N 3.13Å
535H60Low70.7Confident153 Ų153126.8 Ų126.871%0.70865%0.652SS**THydrogen-bonded Turntrans-110.9-1-174.7-51.9-38.4000114.3P531 R533P531-H535 PolarHBondContact O-CD2 2.89Å; P531-H535 PolarHBondContact O-NE2 2.82Å; R533-H535 PolarHBondContact O-N 2.89Å
536K66.6Low71.1Confident170 Ų170123.7 Ų123.774%0.73964%0.635SS**  trans-123.678.8177.8-67.8-176.9-179.9177.90110.6L538K536-L538 VanDerWaalsContact C-N 3.28Å; K536-L538 PolarHBondContact O-N 2.88Å
537Q69.9Low71.5Confident173 Ų173122.6 Ų122.681%0.80863%0.629SS**  trans-68.187.1168.3-72.4-167.6600110.1K539Q537-K539 PolarHBondContact O-N 2.93Å
538L74Confident71.7Confident150 Ų150128 Ų12879%0.78565%0.65SS**  trans-65.195.6167.7-70.1169.3000108.8K536 I540K536-L538 VanDerWaalsContact C-N 3.28Å; K536-L538 PolarHBondContact O-N 2.88Å; L538-I540 VanDerWaalsContact C-N 3.27Å; L538-I540 HydrophobicContact CB-CG1 4.48Å; L538-I540 PolarHBondContact O-N 2.82Å
539K80.7Confident72.2Confident181 Ų181123.4 Ų123.479%0.78764%0.639SS**  trans-71.184.4171.6-77.2-179.4174.7176.10109.2Q537 S541Q537-K539 PolarHBondContact O-N 2.93Å; K539-S541 VanDerWaalsContact C-N 3.32Å; K539-S541 PolarHBondContact O-N 3.08Å
540I80.5Confident73.1Confident100 Ų100126.7 Ų126.751%0.51365%0.649SS.*  trans-73.590172.2-52.8175.2000108.4R466 L538 F542R466-I540 PolarHBondContact NH2-O 2.87Å; L538-I540 VanDerWaalsContact C-N 3.27Å; L538-I540 HydrophobicContact CB-CG1 4.48Å; L538-I540 PolarHBondContact O-N 2.82Å; I540-F542 HydrophobicContact CG2-CD2 4.35Å; I540-F542 HydrophobicContact CG2-CE1 4.28Å; I540-F542 HydrophobicContact CG2-CE2 3.64Å; I540-F542 HydrophobicContact CG2-CZ 3.59Å
541S82.6Confident74.1Confident104 Ų104132.7 Ų132.773%0.72767%0.667SS**PPolyproline II helixtrans-92.6133.1162.649.20000109.5K539K539-S541 VanDerWaalsContact C-N 3.32Å; K539-S541 PolarHBondContact O-N 3.08Å
542F84.3Confident75.2Confident137 Ų137136.3 Ų136.360%0.60168%0.677SS**PPolyproline II helixtrans-102.2149.6163.4-57-84.8000107.4I540 L547I540-F542 HydrophobicContact CG2-CD2 4.35Å; I540-F542 HydrophobicContact CG2-CE1 4.28Å; I540-F542 HydrophobicContact CG2-CE2 3.64Å; I540-F542 HydrophobicContact CG2-CZ 3.59Å; F542-L547 HydrophobicContact CB-CD1 4.05Å; F542-L547 HydrophobicContact CB-CD2 3.97Å; F542-L547 HydrophobicContact CB-CG 4.04Å; F542-L547 HydrophobicContact CG-CD2 4.22Å
543S81.7Confident76.2Confident71 Ų71137.2 Ų137.250%0.49768%0.675SS.*PPolyproline II helixtrans-69.9129.6165.834.90000108.9T545 A546 L547S543-T545 PolarHBondContact O-N 2.72Å; S543-A546 PolarHBondContact O-N 2.7Å; S543-A546 VanDerWaalsContact OG-CB 3.27Å; S543-A546 WeakPolarHBondContact OG-CB 3.25Å; S543-L547 PolarHBondContact O-N 2.71Å
544E80.9Confident77.2Confident157 Ų157131.5 Ų131.573%0.73466%0.663SS**G310 helixtrans-62.1-36-178.5-65.8177.7146.300110.8A546 L547 E548E544-A546 PolarHBondContact O-N 3.04Å; E544-L547 WeakPolarHBondContact O-CA 3.32Å; E544-L547 WeakPolarHBondContact O-CB 3.37Å; E544-L547 PolarHBondContact O-N 2.9Å; E544-E548 WeakPolarHBondContact O-CG 3.36Å; E544-E548 PolarHBondContact O-N 3.11Å; E544-E548 VanDerWaalsContact O-N 3.15Å
545T81.3Confident78.4Confident109 Ų109128.5 Ų128.567%0.66966%0.657SS**G310 helixtrans-59.7-23.3171.253.50000114.9S543S543-T545 PolarHBondContact O-N 2.72Å
546A76.3Confident79.5Confident55 Ų55129.9 Ų129.946%0.45566%0.663SS.*G310 helixtrans-94.1-5.4173.700000113S543 E544S543-A546 PolarHBondContact O-N 2.7Å; S543-A546 VanDerWaalsContact OG-CB 3.27Å; S543-A546 WeakPolarHBondContact OG-CB 3.25Å; E544-A546 PolarHBondContact O-N 3.04Å
547L76.9Confident80Confident116 Ų116125.5 Ų125.561%0.60765%0.654SS**THydrogen-bonded Turntrans-93.5-18.6169.7-61.4178.7000112.1F542 S543 E544 T549F542-L547 HydrophobicContact CB-CD1 4.05Å; F542-L547 HydrophobicContact CB-CD2 3.97Å; F542-L547 HydrophobicContact CB-CG 4.04Å; F542-L547 HydrophobicContact CG-CD2 4.22Å; S543-L547 PolarHBondContact O-N 2.71Å; E544-L547 WeakPolarHBondContact O-CA 3.32Å; E544-L547 WeakPolarHBondContact O-CB 3.37Å; E544-L547 PolarHBondContact O-N 2.9Å; L547-T549 VanDerWaalsContact C-N 3.27Å; L547-T549 PolarHBondContact O-N 2.68Å
548E75.1Confident80.4Confident142 Ų142119.9 Ų119.966%0.66463%0.634SS**  trans-80.5-2179.3-72.1174.2154.700113.8E544 T550E544-E548 WeakPolarHBondContact O-CG 3.36Å; E544-E548 PolarHBondContact O-N 3.11Å; E544-E548 VanDerWaalsContact O-N 3.15Å; E548-T550 PolarHBondContact O-N 3.14Å
549T78.5Confident80.7Confident110 Ų110116 Ų11668%0.67562%0.616SS**  trans-6691.2177.459.90000111.4L547 Y551L547-T549 VanDerWaalsContact C-N 3.27Å; L547-T549 PolarHBondContact O-N 2.68Å; T549-Y551 PolarHBondContact O-N 3.42Å
550T80.1Confident80.4Confident121 Ų121113.2 Ų113.274%0.74261%0.609SS**  trans-77.8106.2174.5-61.50000109.2E548 Q552E548-T550 PolarHBondContact O-N 3.14Å; T550-Q552 PolarHBondContact O-N 3.12Å
551Y81.4Confident80.2Confident159 Ų159116.3 Ų116.362%0.62462%0.621SS**  trans-71.2100171.4-173.7-92.6000109.6T549 Y553T549-Y551 PolarHBondContact O-N 3.42Å; Y551-Y553 HydrophobicContact CD1-CD1 4.02Å; Y551-Y553 AromaticContact CD1-CD2 3.71Å; Y551-Y553 HydrophobicContact CD1-CD2 3.71Å; Y551-Y553 AromaticContact CD1-CE1 3.96Å; Y551-Y553 HydrophobicContact CD1-CE1 3.96Å; Y551-Y553 AromaticContact CD1-CE2 3.66Å; Y551-Y553 HydrophobicContact CD1-CE2 3.66Å; Y551-Y553 AromaticContact CD1-CG 3.88Å; Y551-Y553 HydrophobicContact CD1-CG 3.88Å; Y551-Y553 AromaticContact CD1-CZ 3.76Å; Y551-Y553 AromaticContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD2 4.09Å; Y551-Y553 AromaticContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE2 4.19Å; Y551-Y553 AromaticContact CE1-CG 3.76Å; Y551-Y553 HydrophobicContact CE1-CG 3.76Å; Y551-Y553 AromaticContact CE1-CZ 3.96Å; Y551-Y553 PolarHBondContact O-N 2.82Å
552Q83.9Confident79.9Confident166 Ų166119.2 Ų119.278%0.77662%0.624SS**  trans-74100.6171.2-168.380.835.100108T550T550-Q552 PolarHBondContact O-N 3.12Å
553Y84.8Confident79.1Confident181 Ų181119.1 Ų119.171%0.7163%0.628SS**PPolyproline II helixtrans-58138.9169.6-71.6-92.6000109.6Y551Y551-Y553 HydrophobicContact CD1-CD1 4.02Å; Y551-Y553 AromaticContact CD1-CD2 3.71Å; Y551-Y553 HydrophobicContact CD1-CD2 3.71Å; Y551-Y553 AromaticContact CD1-CE1 3.96Å; Y551-Y553 HydrophobicContact CD1-CE1 3.96Å; Y551-Y553 AromaticContact CD1-CE2 3.66Å; Y551-Y553 HydrophobicContact CD1-CE2 3.66Å; Y551-Y553 AromaticContact CD1-CG 3.88Å; Y551-Y553 HydrophobicContact CD1-CG 3.88Å; Y551-Y553 AromaticContact CD1-CZ 3.76Å; Y551-Y553 AromaticContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD2 4.09Å; Y551-Y553 AromaticContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE2 4.19Å; Y551-Y553 AromaticContact CE1-CG 3.76Å; Y551-Y553 HydrophobicContact CE1-CG 3.76Å; Y551-Y553 AromaticContact CE1-CZ 3.96Å; Y551-Y553 PolarHBondContact O-N 2.82Å
554P82.1Confident78.5Confident77 Ų77117.5 Ų117.550%0.562%0.623SS.*PPolyproline II helixtrans-52.9149.2165.4-24.234.3000110.6V559P554-V559 HydrophobicContact CB-CG2 4.26Å
555S84.1Confident77.6Confident67 Ų67116 Ų11647%0.46963%0.627SS.*PPolyproline II helixtrans-65.3146.5175.157.90000110.3S557 S558 V559S555-S557 PolarHBondContact O-N 2.92Å; S555-S557 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact OG-OG 2.88Å; S555-S558 WeakPolarHBondContact O-CA 3.47Å; S555-S558 WeakPolarHBondContact O-CB 3.34Å; S555-S558 PolarHBondContact O-N 3.43Å; S555-S558 PolarHBondContact OG-N 2.87Å; S555-V559 PolarHBondContact O-N 3.48Å
556E84.5Confident76.7Confident182 Ų182119.2 Ų119.285%0.8563%0.634SS**Hα-helixtrans-56.4-28.7177.4-63.6173.4119.200111.6L560E556-L560 WeakPolarHBondContact O-CB 3.38Å; E556-L560 PolarHBondContact O-N 2.84Å
557S75.4Confident75.6Confident78 Ų78121.7 Ų121.755%0.54565%0.646SS.*Hα-helixtrans-65.7-37.7171.566.10000113.9S555 L560 E561S555-S557 PolarHBondContact O-N 2.92Å; S555-S557 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact OG-OG 2.88Å; S557-L560 PolarHBondContact O-N 3.38Å; S557-E561 WeakPolarHBondContact O-CB 3.48Å; S557-E561 PolarHBondContact O-N 3.38Å
558S79.4Confident74.3Confident55 Ų55125.3 Ų125.339%0.38566%0.66SS.*Hα-helixtrans-71.6-35.4179.1-172.90000111.1S555 E561 E562S555-S558 WeakPolarHBondContact O-CA 3.47Å; S555-S558 WeakPolarHBondContact O-CB 3.34Å; S555-S558 PolarHBondContact O-N 3.43Å; S555-S558 PolarHBondContact OG-N 2.87Å; S558-E561 PolarHBondContact O-N 2.69Å; S558-E562 WeakPolarHBondContact O-CB 3.34Å; S558-E562 PolarHBondContact O-N 2.85Å
559V79.7Confident73.2Confident67 Ų67124.9 Ų124.941%0.40667%0.667SS.*Hα-helixtrans-68.8-38172.9-178.40000110.5P554 S555 E562 L563P554-V559 HydrophobicContact CB-CG2 4.26Å; S555-V559 PolarHBondContact O-N 3.48Å; V559-E562 PolarHBondContact O-N 3Å; V559-L563 HydrophobicContact CG1-CD1 4.28Å; V559-L563 VanDerWaalsContact O-CG 3.25Å; V559-L563 WeakPolarHBondContact O-CG 3.27Å; V559-L563 PolarHBondContact O-N 3.43Å
560L74.9Confident71.6Confident124 Ų124125.2 Ų125.265%0.64967%0.671SS**Hα-helixtrans-69.1-34176-166.668.2000112.6E556 S557E556-L560 WeakPolarHBondContact O-CB 3.38Å; E556-L560 PolarHBondContact O-N 2.84Å; S557-L560 PolarHBondContact O-N 3.38Å
561E77.1Confident69.5Low164 Ų164125.2 Ų125.277%0.76668%0.676SS**Hα-helixtrans-71.6-38.9174.6-170.6169-173.400111.8S557 S558 L563 G564S557-E561 WeakPolarHBondContact O-CB 3.48Å; S557-E561 PolarHBondContact O-N 3.38Å; S558-E561 PolarHBondContact O-N 2.69Å; E561-L563 VanDerWaalsContact C-N 3.31Å; E561-L563 PolarHBondContact O-N 2.89Å; E561-G564 PolarHBondContact O-N 2.85Å; E561-G564 VanDerWaalsContact O-N 3.15Å
562E75.4Confident67.5Low166 Ų166121.6 Ų121.678%0.77668%0.678SS**Hα-helixtrans-64.8-31.5172.8-173.217917300112.9S558 V559 G564S558-E562 WeakPolarHBondContact O-CB 3.34Å; S558-E562 PolarHBondContact O-N 2.85Å; V559-E562 PolarHBondContact O-N 3Å; E562-G564 PolarHBondContact O-N 2.88Å
563L67.6Low65.6Low134 Ų134119.4 Ų119.470%0.70268%0.679SS**THydrogen-bonded Turntrans-73.7-10.9174.4-74168.3000113.9V559 E561V559-L563 HydrophobicContact CG1-CD1 4.28Å; V559-L563 VanDerWaalsContact O-CG 3.25Å; V559-L563 WeakPolarHBondContact O-CG 3.27Å; V559-L563 PolarHBondContact O-N 3.43Å; E561-L563 VanDerWaalsContact C-N 3.31Å; E561-L563 PolarHBondContact O-N 2.89Å
564G68.8Low63.2Low37 Ų37118.3 Ų118.338%0.38169%0.685SS.*  trans71.4177.1178.800000114.5E561 E562 E566E561-G564 PolarHBondContact O-N 2.85Å; E561-G564 VanDerWaalsContact O-N 3.15Å; E562-G564 PolarHBondContact O-N 2.88Å; G564-E566 PolarHBondContact O-N 3.05Å
565P62.5Low61.5Low127 Ų127120.1 Ų120.183%0.82570%0.697SS**  trans-65.7128.7171.828.1-32.9000110.1
566E61.3Low59.6Low175 Ų175122.8 Ų122.882%0.81871%0.713SS**  trans-52.3130.2168-174.9-177.3159.200109G564 E568G564-E566 PolarHBondContact O-N 3.05Å; E566-E568 PolarHBondContact O-N 3.15Å
567P54.7Low57.4Low108 Ų108118.9 Ų118.970%0.70171%0.712SS**  trans-66.9107.5-176.626.1-33.6000110.1V569P567-V569 PolarHBondContact O-N 2.92Å; P567-V569 VanDerWaalsContact O-N 3.09Å
568E49.3Very low55.7Low191 Ų191119.8 Ų119.889%0.89372%0.723SS**PPolyproline II helixtrans-51.5119.8171.3-87.7-162.4126.500109.3E566 P570E566-E568 PolarHBondContact O-N 3.15Å; E568-P570 WeakPolarHBondContact O-CD 3.24Å; E568-P570 VanDerWaalsContact O-N 3.13Å
569V51.5Low54.1Low133 Ų133125.6 Ų125.681%0.80675%0.745SS**PPolyproline II helixtrans-59.6117.3-176.8-177.10000108.5P567 S571P567-V569 PolarHBondContact O-N 2.92Å; P567-V569 VanDerWaalsContact O-N 3.09Å; V569-S571 PolarHBondContact O-N 3.47Å; V569-S571 VanDerWaalsContact O-N 3.11Å
570P45.7Very low52.3Low118 Ų118127.3 Ų127.377%0.76676%0.757SS**PPolyproline II helixtrans-64.6118.4-17323.9-33000110.2E568 A572E568-P570 WeakPolarHBondContact O-CD 3.24Å; E568-P570 VanDerWaalsContact O-N 3.13Å; P570-A572 PolarHBondContact O-N 3.2Å
571S36.1Very low50.6Low121 Ų121128.6 Ų128.685%0.84677%0.765SS**PPolyproline II helixtrans-55.2123.2-178.4-172.20000111V569V569-S571 PolarHBondContact O-N 3.47Å; V569-S571 VanDerWaalsContact O-N 3.11Å
572A39.6Very low49.1Very low82 Ų82128.6 Ų128.668%0.67877%0.77SS**PPolyproline II helixtrans-67.5130.6-167.400000112.8P570P570-A572 PolarHBondContact O-N 3.2Å
573P42.2Very low47.5Very low120 Ų120129 Ų12978%0.77977%0.772SS**PPolyproline II helixtrans-72.9139.8163.931.3-32.5000110
574N34.5Very low46.9Very low158 Ų158131.2 Ų131.285%0.84578%0.778SS**PPolyproline II helixtrans-65.7135.1-179.7-64.8-76.7000111.6
575P46.8Very low46.2Very low115 Ų115136.5 Ų136.575%0.74780%0.798SS**PPolyproline II helixtrans-77.2141.3175.931.3-34.2000111.7
576P45.1Very low45.7Very low124 Ų124138.8 Ų138.881%0.80580%0.798SS**PPolyproline II helixtrans-70.2154.2159.932.3-33.2000110.3
577A37.4Very low45.4Very low100 Ų100138.2 Ų138.283%0.82680%0.795SS**PPolyproline II helixtrans-85.7171.6-176.600000113.6
578A39.6Very low45.3Very low96 Ų96140.6 Ų140.679%0.79380%0.797SS**  trans82.1130.4179.800000114.2
579Q45.7Very low45.3Very low178 Ų178138.6 Ų138.683%0.83279%0.791SS**  cis-139.8164.6-1.4-82-147.2-125.900111.5
580P41.7Very low45Very low102 Ų102139.8 Ų139.866%0.66279%0.793SS**  trans-87.3141.4166.335.7-32.4000112.2
581D39.6Very low45.2Very low152 Ų152140.9 Ų140.981%0.81379%0.791SS**  trans179.8173.1139-93.2-16.5000108
582D46Very low45.5Very low164 Ų164142.2 Ų142.288%0.87779%0.788SS**  trans61.868.3172.5-56.4-32.6000116.6
583E42.3Very low45.5Very low175 Ų175147.2 Ų147.282%0.81880%0.797SS**  trans-70.2175.6152.746.8-162.364.300112.4
584E54.3Low45.5Very low179 Ų179146.6 Ų146.684%0.83679%0.794SS**SBendtrans93-29.7167.4-51.3-171.310600121.3
585D54.8Low45.7Very low148 Ų148147.6 Ų147.679%0.79179%0.793SS**  trans-88.1-5.5-170-100.7-38.8000117.5E587D585-E587 PolarHBondContact O-N 2.9Å
586E51.6Low45.7Very low176 Ų176149.5 Ų149.582%0.82280%0.796SS**THydrogen-bonded Turntrans-81.4-15.8-167.2-60.6-157.2139.200116
587E53.9Low45.8Very low162 Ų162152.3 Ų152.376%0.75780%0.799SS**THydrogen-bonded Turntrans-88.9-23.2-169.459.2-18084.800116.2D585D585-E587 PolarHBondContact O-N 2.9Å
588E52.7Low45.9Very low159 Ų159151.6 Ų151.674%0.74380%0.801SS**THydrogen-bonded Turntrans-80.2-30.5177.6-69.8-146.5123.100113.8L590 L591E588-L590 PolarHBondContact O-N 2.72Å; E588-L590 VanDerWaalsContact O-N 3.15Å; E588-L591 PolarHBondContact O-N 2.84Å
589L49.4Very low45.8Very low148 Ų148150 Ų15078%0.77579%0.794SS**G310 helixtrans-67-16.9-176.8-71.2179.2000114.1L591L589-L591 VanDerWaalsContact C-N 3.34Å
590L46Very low46Very low159 Ų159150.2 Ų150.283%0.83280%0.8SS**G310 helixtrans-83.7-5179.3-62.2-179.9000114.2E588E588-L590 PolarHBondContact O-N 2.72Å; E588-L590 VanDerWaalsContact O-N 3.15Å
591L50.8Low46.6Very low141 Ų141156.7 Ų156.774%0.73881%0.811SS**G310 helixtrans-95.5-12.4-177.2-81.6160000114.8E588 L589E588-L591 PolarHBondContact O-N 2.84Å; L589-L591 VanDerWaalsContact C-N 3.34Å
592L41.2Very low47.3Very low149 Ų149156.2 Ų156.278%0.7881%0.814SS**  trans-119.261.8-168.8-66.9177.5000114.3
593Q40.7Very low48.1Very low186 Ų186158 Ų15887%0.86981%0.814SS**  trans-146.891.1159-134.9171.8112.500113
594P42.2Very low49.1Very low108 Ų108153.9 Ų153.970%0.70181%0.81SS**  trans-74.3165.2160.334.2-33.9000110.6
595E38.1Very low49.6Very low178 Ų178153 Ų15383%0.83281%0.81SS**  trans65.299177.9-50-162.5101.500116.2
596L47.5Very low50.2Low155 Ų155153.8 Ų153.881%0.81281%0.812SS**  179152.1107-90.6171.7000112.1
597Q46Very low51.1Low184 Ų184151.1 Ų151.186%0.8681%0.808SS**  trans40111.4159.4-63.1179.5-0.200119
598G39.2Very low51.9Low85 Ų85148.8 Ų148.888%0.87680%0.801SS**  trans-86.7154.9-174.800000115.8
599G38.3Very low52.9Low63 Ų63150 Ų15065%0.64981%0.806SS**  trans166.6117.9170.800000112.3R601G599-R601 PolarHBondContact O-N 2.83Å
600L49.4Very low54Low181 Ų181146.9 Ų146.995%0.94880%0.797SS**  trans4553.8157.5-53-178.7000118.5T602L600-T602 PolarHBondContact O-N 3.27Å
601R54Low54.6Low238 Ų238144.5 Ų144.590%0.89879%0.792SS**  trans-79113.4159.8-61-167.483.9-179.56109.8G599 K603G599-R601 PolarHBondContact O-N 2.83Å; R601-K603 PolarHBondContact O-N 2.85Å
602T55Low55.4Low143 Ų143149.5 Ų149.588%0.87780%0.802SS**  trans-59.1121.8175.238.70000110.2L600 A604L600-T602 PolarHBondContact O-N 3.27Å; T602-A604 PolarHBondContact O-N 3.44Å; T602-A604 VanDerWaalsContact O-N 3.16Å
603K61.7Low56.4Low200 Ų200157.8 Ų157.887%0.8782%0.822SS**  trans-78.2104.1175.8-68.6-158.4175.1-165.10109.3R601 L605R601-K603 PolarHBondContact O-N 2.85Å; K603-L605 PolarHBondContact O-N 2.94Å
604A63.5Low57.2Low89 Ų89156.4 Ų156.474%0.73682%0.82SS**  trans-52125.1168.500000109.6T602 I606T602-A604 PolarHBondContact O-N 3.44Å; T602-A604 VanDerWaalsContact O-N 3.16Å; A604-I606 PolarHBondContact O-N 3.3Å
605L65.3Low57.9Low161 Ų161158.9 Ų158.984%0.84383%0.826SS**  trans-75.395.3175.5-72.8171.2000108.4K603 V607K603-L605 PolarHBondContact O-N 2.94Å; L605-V607 PolarHBondContact O-N 3.48Å
606I67Low59Low164 Ų164157.9 Ų157.984%0.84183%0.826SS**  trans-61.9105168.2-60.3171.9000107.1A604 D608A604-I606 PolarHBondContact O-N 3.3Å; I606-D608 PolarHBondContact O-N 3Å
607V72Confident59.7Low120 Ų120158.1 Ų158.173%0.72783%0.827SS**  trans-77.8117.5174.1177.10000107.6L605 E609L605-V607 PolarHBondContact O-N 3.48Å; V607-E609 PolarHBondContact O-N 3.18Å
608D70Confident60.6Low113 Ų113156.4 Ų156.460%0.60483%0.825SS**  trans-73.2105.1177.8177.522.8000111.2I606 S610I606-D608 PolarHBondContact O-N 3Å; D608-S610 PolarHBondContact O-N 3.35Å; D608-S610 WeakPolarHBondContact OD1-CB 3.37Å; D608-S610 PolarHBondContact OD1-N 3.45Å; D608-S610 PolarHBondContact OD1-OG 3.45Å; D608-S610 WeakPolarHBondContact OD2-CB 3.29Å; D608-S610 PolarHBondContact OD2-OG 2.87Å
609E73.3Confident62Low184 Ų184161.2 Ų161.286%0.8682%0.821SS**THydrogen-bonded Turntrans-75.46.2175.4-69.5-15710200114.2V607 C611V607-E609 PolarHBondContact O-N 3.18Å; E609-C611 PolarHBondContact O-N 2.86Å
610S73Confident63.7Low84 Ų84168.2 Ų168.259%0.58783%0.834SS**THydrogen-bonded Turntrans-57.1-20.6176.1750000114.2D608 R612D608-S610 PolarHBondContact O-N 3.35Å; D608-S610 WeakPolarHBondContact OD1-CB 3.37Å; D608-S610 PolarHBondContact OD1-N 3.45Å; D608-S610 PolarHBondContact OD1-OG 3.45Å; D608-S610 WeakPolarHBondContact OD2-CB 3.29Å; D608-S610 PolarHBondContact OD2-OG 2.87Å; S610-R612 PolarHBondContact O-N 3.29Å
611C59.2Low64.8Low108 Ų108167.2 Ų167.273%0.7383%0.825SS**  trans-80.889.6178.4-70.70000113E609E609-C611 PolarHBondContact O-N 2.86Å
612R66.9Low65.7Low247 Ų247161.3 Ų161.393%0.93282%0.819SS**  trans-55.1141.1165.8-76.6-169.5173.9-165.2-1.4111.9S610S610-R612 PolarHBondContact O-N 3.29Å
613R61.5Low66.7Low323 Ų323163 Ų163100%1.21981%0.814SS**  trans-71.10171.7-64.3-174.8178.8-146.51.5112.5

Retrieved 613 of 613 residues in 793.3 ms (Link to these results)