A0A087Y817_POEFO Loading...

BICRA like chromatin remodeling complex associated protein

AlphaFold DB , UniProt , Accession A0A087Y817, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 779 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low53.3Low220 Ų220129.6 Ų129.6100%1.08463%0.632SS**  0102.60-80173.3167.200103.4
2D46.9Very low53.7Low127 Ų127121.7 Ų121.768%0.67959%0.594SS**  trans-100.2101.6-173.8-75.3-83.4000107.9E4D2-E4 PolarHBondContact O-N 3.29Å
3D52.6Low54.3Low110 Ų110122.6 Ų122.659%0.58860%0.602SS**THydrogen-bonded Turntrans-71.621.3179.3-51.7-31.3000112.4R7D3-R7 WeakPolarHBondContact O-CG 3.39Å; D3-R7 PolarHBondContact O-NE 2.87Å; D3-R7 PolarHBondContact O-NH2 3.48Å
4E52.3Low54.5Low101 Ų101118.8 Ų118.847%0.47261%0.61SS.*THydrogen-bonded Turntrans-106.9-26.4-173.9-61.1-56.1141.300113D2 R7D2-E4 PolarHBondContact O-N 3.29Å; E4-R7 PolarHBondContact O-N 3.14Å; E4-R7 IonicContact OE1-CZ 3.32Å; E4-R7 IonicContact OE1-NE 3.14Å; E4-R7 PolarHBondContact OE1-NE 3.39Å; E4-R7 VanDerWaalsContact OE1-NE 3.14Å; E4-R7 IonicContact OE1-NH2 2.69Å; E4-R7 PolarHBondContact OE1-NH2 3.06Å; E4-R7 WeakPolarHBondContact OE2-CD 3.46Å; E4-R7 IonicContact OE2-CZ 3.76Å; E4-R7 IonicContact OE2-NE 2.8Å; E4-R7 PolarHBondContact OE2-NE 3.26Å; E4-R7 IonicContact OE2-NH2 3.88Å
5D55.3Low55.3Low113 Ų113116.5 Ų116.560%0.60460%0.599SS**Hα-helixtrans-72.1-39.9175.9-75.7-32.1000111.3R7 R8 L9D5-R7 PolarHBondContact O-N 2.87Å; D5-R8 PolarHBondContact O-N 3.41Å; D5-L9 PolarHBondContact O-N 3.37Å
6D54.7Low55.8Low112 Ų112116.7 Ų116.760%0.59961%0.607SS**Hα-helixtrans-59.7-32.3174.7-76.9-18.8000112.4L9 L10D6-L9 PolarHBondContact O-N 2.69Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.31Å; D6-L10 PolarHBondContact O-N 2.8Å
7R52.3Low56.1Low131 Ų131118.7 Ų118.749%0.49461%0.613SS.*Hα-helixtrans-62.8-45.5174.6-53.7-167.7-153.6-59.9-6.7110.9D3 E4 D5 L10 D11D3-R7 WeakPolarHBondContact O-CG 3.39Å; D3-R7 PolarHBondContact O-NE 2.87Å; D3-R7 PolarHBondContact O-NH2 3.48Å; E4-R7 PolarHBondContact O-N 3.14Å; E4-R7 IonicContact OE1-CZ 3.32Å; E4-R7 IonicContact OE1-NE 3.14Å; E4-R7 PolarHBondContact OE1-NE 3.39Å; E4-R7 VanDerWaalsContact OE1-NE 3.14Å; E4-R7 IonicContact OE1-NH2 2.69Å; E4-R7 PolarHBondContact OE1-NH2 3.06Å; E4-R7 WeakPolarHBondContact OE2-CD 3.46Å; E4-R7 IonicContact OE2-CZ 3.76Å; E4-R7 IonicContact OE2-NE 2.8Å; E4-R7 PolarHBondContact OE2-NE 3.26Å; E4-R7 IonicContact OE2-NH2 3.88Å; D5-R7 PolarHBondContact O-N 2.87Å; R7-L10 PolarHBondContact O-N 3.34Å; R7-D11 PolarHBondContact O-N 2.96Å; R7-D11 VanDerWaalsContact O-N 3.08Å
8R56.5Low56.6Low178 Ų178114 Ų11467%0.67260%0.595SS**Hα-helixtrans-67.1-37.4178.6-61.1-172.1-170.7-114.77.2111.7D5 L10 D11 I12D5-R8 PolarHBondContact O-N 3.41Å; R8-L10 VanDerWaalsContact C-N 3.31Å; R8-L10 PolarHBondContact O-N 3.36Å; R8-D11 PolarHBondContact O-N 3.07Å; R8-I12 WeakPolarHBondContact O-CB 3.44Å; R8-I12 WeakPolarHBondContact O-CD1 3.5Å; R8-I12 VanDerWaalsContact O-CG1 3.23Å; R8-I12 WeakPolarHBondContact O-CG1 3.23Å; R8-I12 PolarHBondContact O-N 3.4Å
9L58.4Low57.4Low86 Ų86111.5 Ų111.545%0.4558%0.582SS.*Hα-helixtrans-64.8-37.6177.7-148.175.3000111.5D5 D6 I12 L13D5-L9 PolarHBondContact O-N 3.37Å; D6-L9 PolarHBondContact O-N 2.69Å; L9-I12 PolarHBondContact O-N 3.08Å; L9-L13 VanDerWaalsContact O-CD1 3.22Å; L9-L13 WeakPolarHBondContact O-CD1 3.08Å; L9-L13 PolarHBondContact O-N 3.49Å
10L58.3Low57.9Low126 Ų126110.4 Ų110.466%0.6658%0.576SS**Hα-helixtrans-68.9-38.3174.5-70.9169.1000113D6 R7 R8 I12 L13 G14D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.31Å; D6-L10 PolarHBondContact O-N 2.8Å; R7-L10 PolarHBondContact O-N 3.34Å; R8-L10 VanDerWaalsContact C-N 3.31Å; R8-L10 PolarHBondContact O-N 3.36Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-G14 PolarHBondContact O-N 2.98Å
11D58.3Low58.6Low122 Ų122108.6 Ų108.665%0.65257%0.568SS**Hα-helixtrans-62.5-41.6171.7-73.8-25.8000111.2R7 R8 L13 G14 D15R7-D11 PolarHBondContact O-N 2.96Å; R7-D11 VanDerWaalsContact O-N 3.08Å; R8-D11 PolarHBondContact O-N 3.07Å; D11-L13 VanDerWaalsContact C-N 3.35Å; D11-L13 PolarHBondContact O-N 3.47Å; D11-G14 PolarHBondContact O-N 2.98Å; D11-G14 VanDerWaalsContact O-N 3.09Å; D11-D15 PolarHBondContact O-N 3.46Å; D11-D15 VanDerWaalsContact O-N 3.13Å
12I58.1Low59.9Low34 Ų34105.7 Ų105.717%0.17455%0.546CS..Hα-helixtrans-64.7-34.1177.1-69.9163.7000112.2R8 L9 L10 G14 D15 A18 L19 Y22R8-I12 WeakPolarHBondContact O-CB 3.44Å; R8-I12 WeakPolarHBondContact O-CD1 3.5Å; R8-I12 VanDerWaalsContact O-CG1 3.23Å; R8-I12 WeakPolarHBondContact O-CG1 3.23Å; R8-I12 PolarHBondContact O-N 3.4Å; L9-I12 PolarHBondContact O-N 3.08Å; L10-I12 VanDerWaalsContact C-N 3.34Å; I12-G14 PolarHBondContact O-N 3.49Å; I12-D15 PolarHBondContact O-N 3.12Å; I12-A18 HydrophobicContact CG1-CB 4.34Å; I12-L19 HydrophobicContact CG2-CB 4.04Å; I12-L19 HydrophobicContact CG2-CD1 3.93Å; I12-Y22 HydrophobicContact CD1-CD2 4.47Å
13L60.9Low60.8Low134 Ų134104.9 Ų104.970%0.70254%0.541SS*.Hα-helixtrans-70.7-17.3174-96.679.6000113.5L9 L10 D11L9-L13 VanDerWaalsContact O-CD1 3.22Å; L9-L13 WeakPolarHBondContact O-CD1 3.08Å; L9-L13 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.48Å; D11-L13 VanDerWaalsContact C-N 3.35Å; D11-L13 PolarHBondContact O-N 3.47Å
14G57.8Low61.4Low69 Ų69106.4 Ų106.471%0.71154%0.544SS*.Hα-helixtrans-90-29.7174.600000114.2L10 D11 I12L10-G14 PolarHBondContact O-N 2.98Å; D11-G14 PolarHBondContact O-N 2.98Å; D11-G14 VanDerWaalsContact O-N 3.09Å; I12-G14 PolarHBondContact O-N 3.49Å
15D66Low61.6Low84 Ų84103.7 Ų103.745%0.44954%0.544SS..  trans-109.1108.5-175.7-168.7-21.8000112.2D11 I12 E17 A18 L19D11-D15 PolarHBondContact O-N 3.46Å; D11-D15 VanDerWaalsContact O-N 3.13Å; I12-D15 PolarHBondContact O-N 3.12Å; D15-E17 PolarHBondContact O-N 3.25Å; D15-E17 WeakPolarHBondContact OD1-CB 3.22Å; D15-E17 PolarHBondContact OD1-N 3.39Å; D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.04Å; D15-A18 PolarHBondContact OD1-N 2.94Å; D15-L19 WeakPolarHBondContact O-CB 3.4Å; D15-L19 PolarHBondContact O-N 3.45Å
16V63.7Low61.2Low120 Ų120101.5 Ų101.573%0.72754%0.537SS*.Hα-helixtrans-61.9-30.1179.5-179.50000112.3N20V16-N20 VanDerWaalsContact O-CB 3.26Å; V16-N20 WeakPolarHBondContact O-CB 3.47Å; V16-N20 PolarHBondContact O-N 3.3Å
17E60.8Low61Low151 Ų151104.3 Ų104.371%0.70655%0.552SS**Hα-helixtrans-77.3-40.9-179.4-159.3154.3-144.800110.2D15 N20 D21D15-E17 PolarHBondContact O-N 3.25Å; D15-E17 WeakPolarHBondContact OD1-CB 3.22Å; D15-E17 PolarHBondContact OD1-N 3.39Å; E17-N20 PolarHBondContact O-N 2.95Å; E17-D21 PolarHBondContact O-N 3.5Å
18A64.6Low60.7Low34 Ų34103 Ų10328%0.28156%0.563SS.*Hα-helixtrans-64.8-39.1171.900000113.1I12 D15 N20 D21 Y22I12-A18 HydrophobicContact CG1-CB 4.34Å; D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.04Å; D15-A18 PolarHBondContact OD1-N 2.94Å; A18-N20 VanDerWaalsContact C-N 3.34Å; A18-D21 PolarHBondContact O-N 3.37Å; A18-Y22 WeakPolarHBondContact O-CB 3.27Å; A18-Y22 PolarHBondContact O-N 3.09Å
19L73Confident60.3Low67 Ų67103 Ų10335%0.35157%0.568SS.*Hα-helixtrans-64.6-38.5174179.960000112I12 D15 Y22 L23I12-L19 HydrophobicContact CG2-CB 4.04Å; I12-L19 HydrophobicContact CG2-CD1 3.93Å; D15-L19 WeakPolarHBondContact O-CB 3.4Å; D15-L19 PolarHBondContact O-N 3.45Å; L19-Y22 PolarHBondContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.29Å; L19-L23 HydrophobicContact CG-CD1 3.98Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.93Å
20N67.3Low59.6Low88 Ų88104 Ų10447%0.47158%0.582SS.*Hα-helixtrans-67.8-41176.1-176.989.8000111.8V16 E17 A18 L23 H24V16-N20 VanDerWaalsContact O-CB 3.26Å; V16-N20 WeakPolarHBondContact O-CB 3.47Å; V16-N20 PolarHBondContact O-N 3.3Å; E17-N20 PolarHBondContact O-N 2.95Å; A18-N20 VanDerWaalsContact C-N 3.34Å; N20-L23 PolarHBondContact O-N 3.42Å; N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.31Å; N20-H24 VanDerWaalsContact O-N 3.09Å; N20-H24 PolarHBondContact OD1-CD2 3.27Å
21D70.9Confident58.9Low74 Ų74104.5 Ų104.540%0.39658%0.584SS.*Hα-helixtrans-63.5-39.7171.8-102.2-36.1000112.3E17 A18 G25 S26E17-D21 PolarHBondContact O-N 3.5Å; A18-D21 PolarHBondContact O-N 3.37Å; D21-G25 VanDerWaalsContact O-CA 3.26Å; D21-G25 WeakPolarHBondContact O-CA 3.4Å; D21-G25 PolarHBondContact O-N 2.9Å; D21-S26 VanDerWaalsContact OD1-CA 3.27Å; D21-S26 WeakPolarHBondContact OD1-CA 3.44Å; D21-S26 VanDerWaalsContact OD1-CB 3.26Å; D21-S26 WeakPolarHBondContact OD1-CB 3.44Å; D21-S26 PolarHBondContact OD1-OG 2.87Å
22Y69.3Low58.4Low159 Ų159100 Ų10062%0.62457%0.566SS**Hα-helixtrans-66.3-38.6176.3-177.6-98.2000112.8I12 A18 L19I12-Y22 HydrophobicContact CD1-CD2 4.47Å; A18-Y22 WeakPolarHBondContact O-CB 3.27Å; A18-Y22 PolarHBondContact O-N 3.09Å; L19-Y22 PolarHBondContact O-N 3.13Å
23L66.3Low58Low110 Ų110106.8 Ų106.858%0.57660%0.597SS**Hα-helixtrans-78.2-24.2-179.2-78167.8000114.5L19 N20L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.29Å; L19-L23 HydrophobicContact CG-CD1 3.98Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.93Å; N20-L23 PolarHBondContact O-N 3.42Å
24H65.3Low57.5Low141 Ų141106.3 Ų106.365%0.65360%0.595SS**Hα-helixtrans-124.6-18.1-170.9-60.9-35.8000114.8N20N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.31Å; N20-H24 VanDerWaalsContact O-N 3.09Å; N20-H24 PolarHBondContact OD1-CD2 3.27Å
25G56.3Low57.2Low45 Ų45106.8 Ų106.846%0.46458%0.582SS.*  trans74.9131.6-175.500000112.5D21 N27D21-G25 VanDerWaalsContact O-CA 3.26Å; D21-G25 WeakPolarHBondContact O-CA 3.4Å; D21-G25 PolarHBondContact O-N 2.9Å; G25-N27 PolarHBondContact O-N 3.09Å
26S47.3Very low56.4Low66 Ų66107.6 Ų107.646%0.46259%0.589SS.*  trans-64.193.5-176.6-45.20000112.4D21 S28D21-S26 VanDerWaalsContact OD1-CA 3.27Å; D21-S26 WeakPolarHBondContact OD1-CA 3.44Å; D21-S26 VanDerWaalsContact OD1-CB 3.26Å; D21-S26 WeakPolarHBondContact OD1-CB 3.44Å; D21-S26 PolarHBondContact OD1-OG 2.87Å; S26-S28 PolarHBondContact O-N 3.31Å
27N50.2Low55.6Low171 Ų171104.9 Ų104.991%0.91458%0.579SS**THydrogen-bonded Turntrans-74.946-178.9-169.820.3000112.9G25G25-N27 PolarHBondContact O-N 3.09Å
28S46.4Very low54.8Low103 Ų103103.1 Ų103.172%0.7258%0.575SS**THydrogen-bonded Turntrans-136.3-2.2-171.158.50000113.7S26 S30S26-S28 PolarHBondContact O-N 3.31Å; S28-S30 PolarHBondContact O-N 3.38Å
29K47.6Very low54Low180 Ų180106 Ų10678%0.78360%0.599SS**  trans-86.792172.3-147.9-180-172.7-167.30110.3I31K29-I31 PolarHBondContact O-N 3.35Å
30S42.6Very low52.6Low106 Ų106106.4 Ų106.474%0.74161%0.611SS**  trans-59.5118.8168.555.90000109.6S28 G32S28-S30 PolarHBondContact O-N 3.38Å; S30-G32 PolarHBondContact O-N 3.34Å
31I44.3Very low51.3Low137 Ų137112.9 Ų112.970%0.70363%0.631SS**  trans-65.7107.2174.6-170.2168000109.1K29 D35K29-I31 PolarHBondContact O-N 3.35Å; I31-D35 HydrophobicContact CG1-CB 4.23Å
32G47.1Very low49.6Very low28 Ų28112.8 Ų112.829%0.28965%0.647SS.*  trans-76.6154.317800000110.8S30 D34 D35S30-G32 PolarHBondContact O-N 3.34Å; G32-D34 PolarHBondContact O-N 3.42Å; G32-D35 PolarHBondContact O-N 3.05Å
33E49.8Very low47.8Very low176 Ų176110.5 Ų110.582%0.82266%0.655SS**THydrogen-bonded Turntrans-57.4-17.4177.252.4-101.8-140.100114.7
34D50.9Low46.3Very low123 Ų123112.1 Ų112.166%0.65866%0.664SS**THydrogen-bonded Turntrans-77.8-34.9179.2-14946.3000113.3G32 V36 A37G32-D34 PolarHBondContact O-N 3.42Å; D34-V36 PolarHBondContact O-N 3.17Å; D34-A37 PolarHBondContact O-N 2.99Å; D34-A37 VanDerWaalsContact O-N 3.12Å
35D52.1Low44.6Very low80 Ų80109.2 Ų109.243%0.42867%0.672SS.*Hα-helixtrans-63.9-29.1178.7-78.1-40.5000111.8I31 G32 A37 N38 A39I31-D35 HydrophobicContact CG1-CB 4.23Å; G32-D35 PolarHBondContact O-N 3.05Å; D35-A37 PolarHBondContact O-N 3.42Å; D35-N38 PolarHBondContact O-N 3.47Å; D35-A39 PolarHBondContact O-N 3.39Å
36V48.3Very low43.6Very low100 Ų100110.9 Ų110.961%0.60668%0.677SS**Hα-helixtrans-69.2-21.1179.3-166.80000112D34D34-V36 PolarHBondContact O-N 3.17Å
37A48Very low43Very low63 Ų63116.8 Ų116.852%0.52169%0.694SS.*Hα-helixtrans-84.7-39.7177.700000112.8D34 D35 A40D34-A37 PolarHBondContact O-N 2.99Å; D34-A37 VanDerWaalsContact O-N 3.12Å; D35-A37 PolarHBondContact O-N 3.42Å; A37-A40 PolarHBondContact O-N 3.22Å
38N44.3Very low42.1Very low115 Ų115118.2 Ų118.262%0.61569%0.693SS**Hα-helixtrans-72.5-28.4-176.9-77.3-38.8000113.3D35 A40 Y41D35-N38 PolarHBondContact O-N 3.47Å; N38-A40 PolarHBondContact O-N 2.9Å; N38-Y41 PolarHBondContact O-N 2.76Å
39A47.8Very low41.5Very low95 Ų95119.3 Ų119.379%0.78570%0.695SS**THydrogen-bonded Turntrans-63.2-5.7176.700000114.8D35D35-A39 PolarHBondContact O-N 3.39Å
40A42.7Very low40.6Very low74 Ų74118 Ų11861%0.61270%0.697SS**THydrogen-bonded Turntrans-101.8-10.2-174.400000115.5A37 N38A37-A40 PolarHBondContact O-N 3.22Å; N38-A40 PolarHBondContact O-N 2.9Å
41Y40.5Very low40Very low225 Ų225120 Ų12088%0.88270%0.695SS**SBendtrans-147.881.9-171.1-105.2-88.9000114.6N38N38-Y41 PolarHBondContact O-N 2.76Å
42G33.9Very low39.2Very low71 Ų71120 Ų12073%0.73270%0.701SS**  trans82.9157.5168.300000115.4
43S32.7Very low38.6Very low112 Ų112124.1 Ų124.178%0.78372%0.721SS**  cis-141.5161.3-2.9-136.80000112
44D33.6Very low37.5Very low143 Ų143119.4 Ų119.477%0.76572%0.719SS**  trans-50.8132.5173.148.6-37.5000116
45G30.6Very low36.4Very low81 Ų81118.9 Ų118.984%0.83572%0.724SS**  trans-121.985.7166.500000110.3
46S35.1Very low35.3Very low79 Ų79121.8 Ų121.855%0.55274%0.739SS**  trans-78.6131.1-176.2175.40000112.6
47F33.5Very low34.4Very low190 Ų190124 Ų12483%0.83375%0.753SS**  trans-105.1152.2146.9-88.6-98.8000108.9
48F33.2Very low33.3Very low202 Ų202124.6 Ų124.689%0.88677%0.766SS**  trans63.568.7-174.4-54.7-72.6000115.9
49T32.3Very low32.7Very low125 Ų125127.4 Ų127.477%0.76778%0.78SS**  trans-105.3134.3140.5520000109.6
50N28.5Very low31.8Very low152 Ų152131.3 Ų131.381%0.81378%0.779SS**  trans-132.197.8158.7177.885.6000107
51E31.1Very low31.1Very low150 Ų150134.6 Ų134.670%0.70179%0.786SS**  trans-64.7142.3176.8-93.6-158.588.100111.8T53E51-T53 PolarHBondContact OE1-OG1 3.1Å
52T27.8Very low30.5Very low136 Ų136127 Ų12783%0.83478%0.776SS**  trans-140.2107.3138.3-65.80000107.7
53T33Very low30.4Very low115 Ų115128.7 Ų128.771%0.70678%0.777SS**  trans-66.1141.8-173.7-35.30000112.1E51E51-T53 PolarHBondContact OE1-OG1 3.1Å
54G26.7Very low30.2Very low76 Ų76128.9 Ų128.978%0.78478%0.778SS**  trans176.268.9176.400000117
55C27.9Very low29.9Very low112 Ų112127.2 Ų127.276%0.75778%0.778SS**  trans-82146.1-179.3-67.90000115.1
56N29.5Very low29.8Very low142 Ų142130.7 Ų130.776%0.75977%0.774SS**  trans87126.5145.4-65-24.8000122.5
57T30.4Very low29.5Very low146 Ų146130 Ų13090%0.89678%0.78SS**  trans68.2128150.758.70000119.9
58G24.9Very low29.2Very low76 Ų76128 Ų12878%0.78477%0.773SS**  trans155.574.5163.300000117.1
59L29.9Very low28.9Very low173 Ų173127.5 Ų127.591%0.90677%0.771SS**  trans10.7129148.8-69.3163.4000120.3
60K29.3Very low29Very low178 Ų178126.8 Ų126.877%0.77477%0.766SS**  106.5129.2128.9-163.7173.5-179.5-1800119.7
61D28Very low29.1Very low142 Ų142128.2 Ų128.276%0.75977%0.768SS**  trans29141.3154.6-45.5-16.9000122
62G28.6Very low29.1Very low65 Ų65128.4 Ų128.467%0.6777%0.773SS**  trans13874.8133.600000120.4
63S31Very low30Very low108 Ų108127 Ų12776%0.75577%0.767SS**  trans48.8119.9134.860.90000122.8
64S29.5Very low30.1Very low115 Ų115126.7 Ų126.780%0.80478%0.776SS**  91.3160119.376.30000122.7
65S27.4Very low30.5Very low109 Ų109127.2 Ų127.276%0.76278%0.781SS**  trans68.3113.9176.7-1450000115.8
66M28.2Very low30.9Very low153 Ų153125.5 Ų125.575%0.75478%0.782SS**  cis77.913930.6-152.9-86.5179.100113.7E68M66-E68 HydrophobicContact CE-CB 4.36Å; M66-E68 WeakPolarHBondContact CE-OE2 3.49Å
67G29.7Very low31Very low65 Ų65122.3 Ų122.367%0.6778%0.783SS**  trans110.886.8-152.400000108.9
68E26.4Very low31.1Very low148 Ų148124 Ų12469%0.69279%0.786SS**  cis66.593.442.6-164.2-177.216800113.4M66M66-E68 HydrophobicContact CE-CB 4.36Å; M66-E68 WeakPolarHBondContact CE-OE2 3.49Å
69F26.7Very low31.7Very low192 Ų192128.5 Ų128.584%0.84279%0.786SS**  -147.3161.7126.6-142.1-99.8000110.6
70V33.9Very low31.8Very low110 Ų110128 Ų12867%0.66778%0.784SS**  trans-124.2137.7-173170.10000109.1
71E30.6Very low32.1Very low181 Ų181124.3 Ų124.385%0.84678%0.78SS**  trans-174.7108.5139.5-106.8171.7171.100111.1
72D32.5Very low32.4Very low154 Ų154121.6 Ų121.682%0.82477%0.772SS**  32.3177.3129.5-118.124.4000121.9
73P45.1Very low32.9Very low108 Ų108124 Ų12470%0.70178%0.779SS**  -126.2-175.2-121.534.5-12.3000116.1
74A34.9Very low33.4Very low108 Ų108127.1 Ų127.189%0.89379%0.786SS**  trans83.1137.7171.900000118.1
75G35.1Very low34Very low86 Ų86126 Ų12689%0.88778%0.779SS**  trans105.195.5171.200000115
76G36.9Very low34.7Very low76 Ų76130.3 Ų130.378%0.78478%0.784SS**  trans159.34.2172.300000119.2
77G31.5Very low35.6Very low76 Ų76131.1 Ų131.178%0.78479%0.789SS**  trans-72.3130.9176.300000112.4
78L33Very low36.5Very low182 Ų182136.9 Ų136.995%0.95380%0.799SS**  trans-70136.8-178-66170.8000111.8
79H38Very low37.3Very low169 Ų169137.7 Ų137.778%0.78281%0.808SS**  trans-122.2102.2-167-165.4-91000112.2
80L31.8Very low38.5Very low164 Ų164137.4 Ų137.486%0.85981%0.809SS**  trans-148.9130.1174.2-62.1172000108.6
81S34.9Very low39.1Very low99 Ų99141 Ų14169%0.69282%0.824SS**  cis-148.3120.5-17.2-82.80000110.2
82S34.2Very low39.4Very low86 Ų86135.4 Ų135.460%0.60181%0.814SS**  39.392.9121.9-175.70000119
83S39.3Very low39.6Very low115 Ų115135.1 Ų135.180%0.80482%0.818SS**SBendtrans-150.9140.7141-81.80000109.3
84L40.9Very low39.2Very low174 Ų174134 Ų13491%0.91183%0.827SS**SBendtrans74.225.1-175.1-49.2-178.2000117.7F86L84-F86 PolarHBondContact O-N 2.88Å
85S42.9Very low39Very low92 Ų92134.5 Ų134.564%0.64382%0.824SS**  trans-94.855.4168.8620000112.6
86F41.1Very low38.7Very low198 Ų198136 Ų13687%0.86882%0.821SS**SBendtrans-131.311.2-175.9-158.6-100.7000114.1L84L84-F86 PolarHBondContact O-N 2.88Å
87I47.5Very low38.7Very low170 Ų170138 Ų13887%0.87282%0.82SS**SBendtrans-141.126.3-177.4-38.3174.8000111.5
88E48.6Very low38.7Very low186 Ų186143.8 Ų143.887%0.86983%0.826SS**SBendtrans-122.2-7.2-175.4-161.4156.2-150.600114.7
89D44.4Very low39.1Very low166 Ų166138.5 Ų138.589%0.88882%0.816SS**SBendtrans-119.221.2-169.2-155.935.1000115
90E50.8Low39Very low186 Ų186137.6 Ų137.687%0.86982%0.822SS**SBendtrans-124.228.3179.9-146-167.2149.200115
91L46.6Very low39.3Very low185 Ų185136.8 Ų136.897%0.96982%0.819SS**SBendtrans-135.751.8168.8-76.6179.9000112.5
92G36.8Very low39.6Very low63 Ų63140.2 Ų140.265%0.64983%0.828SS**SBendtrans-139.588.5-178.400000114.9
93T37Very low39.7Very low148 Ų148139.6 Ų139.691%0.90884%0.836SS**  trans52.1108.9165.3480000118.1
94G37.2Very low39.6Very low86 Ų86137.8 Ų137.889%0.88783%0.828SS**  trans-71.8147.3-177.800000115.8
95S30Very low39.5Very low117 Ų117137.9 Ų137.982%0.81882%0.823SS**  trans-132.7145.4156.263.50000108.7P97S95-P97 WeakPolarHBondContact O-CD 3.44Å
96S30.2Very low39.8Very low119 Ų119141 Ų14183%0.83283%0.833SS**PPolyproline II helixtrans-102.2123.1-172.6177.80000111.6
97P37Very low40.2Very low117 Ų117138.6 Ų138.676%0.7682%0.824SS**PPolyproline II helixtrans-93.1134.3158.733.6-28.8000110.9S95S95-P97 WeakPolarHBondContact O-CD 3.44Å
98E30.8Very low40.4Very low197 Ų197136 Ų13692%0.92182%0.818SS**PPolyproline II helixtrans-73.6122.6-174.8-176180149.600113.2
99G40.9Very low40.7Very low71 Ų71136 Ų13673%0.73282%0.816SS**  trans6790.814400000120.2
100V35.9Very low41.8Very low150 Ų150132.1 Ų132.191%0.90980%0.795SS**  trans-129.4121.5143.9-74.70000110.1
101D39.4Very low43Very low147 Ų147129.4 Ų129.479%0.78679%0.786SS**  trans-98.3117.8177172.226.6000110.2G103D101-G103 PolarHBondContact OD1-N 3.36Å
102L39.8Very low44.1Very low171 Ų171126.4 Ų126.490%0.89577%0.77SS**  trans-145.672.6167.7-73.5-179.3000109A104L102-A104 PolarHBondContact O-N 3.23Å
103G37.3Very low45.7Very low74 Ų74130.3 Ų130.376%0.76377%0.771SS**  trans-66.8126.4-179.900000114.9D101D101-G103 PolarHBondContact OD1-N 3.36Å
104A37.8Very low47.3Very low77 Ų77128.9 Ų128.964%0.63675%0.752SS**  trans-156.2110.6151.400000108.3L102 D106L102-A104 PolarHBondContact O-N 3.23Å; A104-D106 PolarHBondContact O-N 3.28Å
105E38.7Very low49Very low175 Ų175127.6 Ų127.682%0.81873%0.73SS**  trans-8.1101.9170.739.3-73.4158.200118.6
106D49.3Very low50.9Low157 Ų157125 Ų12584%0.8471%0.707SS**  trans-81.8121.3147.7-179.732.4000108.8A104A104-D106 PolarHBondContact O-N 3.28Å
107Q47.9Very low52.6Low148 Ų148126.2 Ų126.269%0.69270%0.703SS**  trans-135.8124.3171.8-176.1164.57.700107.8F109Q107-F109 PolarHBondContact O-N 3.12Å
108P52.9Low54Low115 Ų115127.4 Ų127.475%0.74770%0.698SS**  trans-62.5112.3-17523.8-34.1000110.1D110P108-D110 PolarHBondContact O-N 3.04Å
109F53.3Low55.6Low186 Ų186120.8 Ų120.882%0.81668%0.677SS**  trans-63.8108.1175.6-76.6-87.5000109.3Q107 I111Q107-F109 PolarHBondContact O-N 3.12Å; F109-I111 PolarHBondContact O-N 3.37Å
110D68.8Low56.4Low85 Ų85124 Ų12446%0.45568%0.678SS.*  trans-60.2111.3176.6-173.3-15.5000109.1P108 L112 Q113 K114P108-D110 PolarHBondContact O-N 3.04Å; D110-L112 PolarHBondContact O-N 3.21Å; D110-L112 VanDerWaalsContact OD1-CB 3.28Å; D110-L112 WeakPolarHBondContact OD1-CB 3.34Å; D110-L112 PolarHBondContact OD1-N 3.18Å; D110-Q113 HydrophobicContact CB-CB 3.96Å; D110-Q113 WeakPolarHBondContact O-CA 3.43Å; D110-Q113 WeakPolarHBondContact O-CB 3.33Å; D110-Q113 PolarHBondContact O-N 3.07Å; D110-K114 PolarHBondContact O-N 3.19Å
111I74.8Confident57.5Low130 Ų130120.1 Ų120.167%0.66765%0.651SS**Hα-helixtrans-63.1-27.7-175.7-60.6175.7000110.1F109 S115F109-I111 PolarHBondContact O-N 3.37Å; I111-S115 VanDerWaalsContact O-CB 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.21Å; I111-S115 PolarHBondContact O-N 3.27Å; I111-S115 PolarHBondContact O-OG 2.93Å
112L69.5Low58.9Low122 Ų122116.5 Ų116.564%0.63963%0.634SS**Hα-helixtrans-67.1-45.4172.7-59171.1000110.5D110 S115 L116D110-L112 PolarHBondContact O-N 3.21Å; D110-L112 VanDerWaalsContact OD1-CB 3.28Å; D110-L112 WeakPolarHBondContact OD1-CB 3.34Å; D110-L112 PolarHBondContact OD1-N 3.18Å; L112-S115 PolarHBondContact O-N 3.45Å; L112-L116 VanDerWaalsContact O-CD1 3.28Å; L112-L116 WeakPolarHBondContact O-CD1 3.29Å; L112-L116 PolarHBondContact O-N 2.97Å
113Q70.8Confident60.1Low144 Ų144116.4 Ų116.467%0.67363%0.629SS**Hα-helixtrans-64.2-41.6178-166179.826.200111.8D110 L117D110-Q113 HydrophobicContact CB-CB 3.96Å; D110-Q113 WeakPolarHBondContact O-CA 3.43Å; D110-Q113 WeakPolarHBondContact O-CB 3.33Å; D110-Q113 PolarHBondContact O-N 3.07Å; Q113-L117 WeakPolarHBondContact O-CB 3.14Å; Q113-L117 PolarHBondContact O-N 3.4Å
114K71.2Confident61.2Low119 Ų119119.7 Ų119.752%0.51763%0.625SS.*Hα-helixtrans-61.9-43.4171.8-179.1177.8176-69.50111.4D110 L117 E118D110-K114 PolarHBondContact O-N 3.19Å; K114-L117 PolarHBondContact O-N 3.09Å; K114-E118 IonicContact NZ-OE1 3.13Å; K114-E118 IonicContact NZ-OE2 2.89Å; K114-E118 PolarHBondContact NZ-OE2 3.16Å; K114-E118 VanDerWaalsContact O-CB 3.27Å; K114-E118 WeakPolarHBondContact O-CB 3.42Å; K114-E118 PolarHBondContact O-N 2.88Å
115S72.4Confident62.7Low58 Ų58118.9 Ų118.941%0.40661%0.612SS.*Hα-helixtrans-70.6-35.9-176.8-57.90000113I111 L112 A119I111-S115 VanDerWaalsContact O-CB 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.21Å; I111-S115 PolarHBondContact O-N 3.27Å; I111-S115 PolarHBondContact O-OG 2.93Å; L112-S115 PolarHBondContact O-N 3.45Å; S115-A119 VanDerWaalsContact O-CB 3.28Å; S115-A119 WeakPolarHBondContact O-CB 3.39Å; S115-A119 PolarHBondContact O-N 3.29Å
116L71.3Confident64.1Low64 Ų64114.9 Ų114.934%0.33560%0.596SS.*Hα-helixtrans-62.6-44.6171.1-96.976.6000111.1L112 A119 D120 I121 L126L112-L116 VanDerWaalsContact O-CD1 3.28Å; L112-L116 WeakPolarHBondContact O-CD1 3.29Å; L112-L116 PolarHBondContact O-N 2.97Å; L116-A119 PolarHBondContact O-N 3.06Å; L116-D120 PolarHBondContact O-N 2.83Å; L116-I121 HydrophobicContact CG-CB 4.5Å; L116-I121 PolarHBondContact O-N 2.89Å; L116-L126 HydrophobicContact CD2-CD2 4.44Å
117L64.7Low64.9Low144 Ų144110 Ų11075%0.75458%0.577SS**Hα-helixtrans-66.6-38.3179.3-172.266.5000112.3Q113 K114 A119 D120Q113-L117 WeakPolarHBondContact O-CB 3.14Å; Q113-L117 PolarHBondContact O-N 3.4Å; K114-L117 PolarHBondContact O-N 3.09Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-D120 PolarHBondContact O-N 3.23Å
118E66.1Low65.4Low141 Ų141109 Ų10966%0.65957%0.573SS**Hα-helixtrans-73-24.1177.4-172166-176.700113K114K114-E118 IonicContact NZ-OE1 3.13Å; K114-E118 IonicContact NZ-OE2 2.89Å; K114-E118 PolarHBondContact NZ-OE2 3.16Å; K114-E118 VanDerWaalsContact O-CB 3.27Å; K114-E118 WeakPolarHBondContact O-CB 3.42Å; K114-E118 PolarHBondContact O-N 2.88Å
119A65.6Low65.7Low58 Ų58109.5 Ų109.548%0.47957%0.565SS.*THydrogen-bonded Turntrans-87.8-2.7171.400000114.1S115 L116 L117 I121S115-A119 VanDerWaalsContact O-CB 3.28Å; S115-A119 WeakPolarHBondContact O-CB 3.39Å; S115-A119 PolarHBondContact O-N 3.29Å; L116-A119 PolarHBondContact O-N 3.06Å; L117-A119 VanDerWaalsContact C-N 3.33Å; A119-I121 HydrophobicContact CB-CB 4.48Å; A119-I121 HydrophobicContact CB-CD1 3.75Å; A119-I121 HydrophobicContact CB-CG1 3.75Å; A119-I121 PolarHBondContact O-N 2.88Å
120D56.4Low66.1Low139 Ų139103.7 Ų103.774%0.74355%0.551SS**THydrogen-bonded Turntrans55.726.9-171.6-151.118.9000113.3L116 L117 T122L116-D120 PolarHBondContact O-N 2.83Å; L117-D120 PolarHBondContact O-N 3.23Å; D120-T122 PolarHBondContact O-N 3.29Å
121I60.8Low65.3Low68 Ų68106.2 Ų106.235%0.34956%0.562SS.*  trans-88.498179.3-60.8175.8000108.5L116 A119 T125L116-I121 HydrophobicContact CG-CB 4.5Å; L116-I121 PolarHBondContact O-N 2.89Å; A119-I121 HydrophobicContact CB-CB 4.48Å; A119-I121 HydrophobicContact CB-CD1 3.75Å; A119-I121 HydrophobicContact CB-CG1 3.75Å; A119-I121 PolarHBondContact O-N 2.88Å; I121-T125 HydrophobicContact CG2-CG2 4.38Å
122T66.9Low64Low72 Ų72105.9 Ų105.944%0.44256%0.561SS.*  trans-63.5150.8172.274.10000111.5D120 Q124 T125 L126D120-T122 PolarHBondContact O-N 3.29Å; T122-Q124 PolarHBondContact O-N 2.71Å; T122-Q124 VanDerWaalsContact O-N 3.14Å; T122-T125 WeakPolarHBondContact O-CA 3.26Å; T122-T125 VanDerWaalsContact O-CB 3.28Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact OG1-N 2.85Å; T122-T125 PolarHBondContact OG1-OG1 2.8Å; T122-L126 PolarHBondContact O-N 3.09Å
123E65.9Low63.1Low168 Ų168107.5 Ų107.579%0.78557%0.57SS**Hα-helixtrans-52.5-34.4172-173.8-176.5173.500112L126 A127E123-L126 PolarHBondContact O-N 2.95Å; E123-A127 WeakPolarHBondContact O-CB 3.42Å; E123-A127 PolarHBondContact O-N 2.74Å
124Q59.6Low61.6Low144 Ų144105.3 Ų105.367%0.67357%0.57SS**Hα-helixtrans-64.4-38.1175-175174.7-5.200112.5T122 Q128T122-Q124 PolarHBondContact O-N 2.71Å; T122-Q124 VanDerWaalsContact O-N 3.14Å; Q124-Q128 WeakPolarHBondContact O-CB 3.19Å; Q124-Q128 PolarHBondContact O-N 3.28Å
125T70.9Confident60Low59 Ų59106.8 Ų106.836%0.36258%0.578SS.*Hα-helixtrans-62.5-49.1174.2-49.60000110.4I121 T122 A127 Q128 E129I121-T125 HydrophobicContact CG2-CG2 4.38Å; T122-T125 WeakPolarHBondContact O-CA 3.26Å; T122-T125 VanDerWaalsContact O-CB 3.28Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact OG1-N 2.85Å; T122-T125 PolarHBondContact OG1-OG1 2.8Å; T125-A127 PolarHBondContact O-N 3.28Å; T125-Q128 PolarHBondContact O-N 3.31Å; T125-Q128 VanDerWaalsContact O-N 3.09Å; T125-E129 PolarHBondContact O-N 2.86Å
126L68.3Low58.5Low92 Ų92109.3 Ų109.348%0.48259%0.593SS.*Hα-helixtrans-61.5-43.9-179.5-171.372.2000111.8L116 T122 E123 Q128 E129 A130L116-L126 HydrophobicContact CD2-CD2 4.44Å; T122-L126 PolarHBondContact O-N 3.09Å; E123-L126 PolarHBondContact O-N 2.95Å; L126-Q128 VanDerWaalsContact C-N 3.3Å; L126-Q128 PolarHBondContact O-N 2.6Å; L126-E129 PolarHBondContact O-N 2.84Å; L126-A130 PolarHBondContact O-N 2.8Å
127A64.1Low56.9Low55 Ų55110.3 Ų110.346%0.45561%0.611SS.*Hα-helixtrans-63.7-35.2174.400000112.4E123 T125 A130 M131E123-A127 WeakPolarHBondContact O-CB 3.42Å; E123-A127 PolarHBondContact O-N 2.74Å; T125-A127 PolarHBondContact O-N 3.28Å; A127-A130 PolarHBondContact O-N 3.22Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 WeakPolarHBondContact O-CG 3.16Å; A127-M131 PolarHBondContact O-N 3.47Å
128Q58.7Low55.6Low126 Ų126109.3 Ų109.359%0.58961%0.613SS**Hα-helixtrans-74.9-30.7-179.6-169161.3-1.300112.7Q124 T125 L126 L132Q124-Q128 WeakPolarHBondContact O-CB 3.19Å; Q124-Q128 PolarHBondContact O-N 3.28Å; T125-Q128 PolarHBondContact O-N 3.31Å; T125-Q128 VanDerWaalsContact O-N 3.09Å; L126-Q128 VanDerWaalsContact C-N 3.3Å; L126-Q128 PolarHBondContact O-N 2.6Å; Q128-L132 WeakPolarHBondContact O-CG 3.25Å; Q128-L132 PolarHBondContact O-N 3.42Å
129E60.5Low54.4Low126 Ų126110.5 Ų110.559%0.58962%0.624SS**Hα-helixtrans-71.1-43.7168.4-68.4-169.4128.400111.8T125 L126 M131 L132T125-E129 PolarHBondContact O-N 2.86Å; L126-E129 PolarHBondContact O-N 2.84Å; E129-M131 PolarHBondContact O-N 2.88Å; E129-L132 WeakPolarHBondContact O-CB 3.26Å; E129-L132 PolarHBondContact O-N 2.87Å
130A60.1Low52.8Low63 Ų63115.3 Ų115.352%0.52164%0.641SS.*Hα-helixtrans-60.3-32.4175.300000113L126 A127L126-A130 PolarHBondContact O-N 2.8Å; A127-A130 PolarHBondContact O-N 3.22Å
131M53.6Low51.6Low139 Ų139115.1 Ų115.169%0.68564%0.644SS**Hα-helixtrans-73.6-21.6174.1-77.6-136.370.100114.3A127 E129 C134A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 WeakPolarHBondContact O-CG 3.16Å; A127-M131 PolarHBondContact O-N 3.47Å; E129-M131 PolarHBondContact O-N 2.88Å; M131-C134 PolarHBondContact O-N 3.22Å
132L47.3Very low50.1Low123 Ų123120.9 Ų120.964%0.64467%0.67SS**Hα-helixtrans-74.5-32.4177.7-76.2165.6000112.4Q128 E129 C134Q128-L132 WeakPolarHBondContact O-CG 3.25Å; Q128-L132 PolarHBondContact O-N 3.42Å; E129-L132 WeakPolarHBondContact O-CB 3.26Å; E129-L132 PolarHBondContact O-N 2.87Å; L132-C134 PolarHBondContact O-N 3.4Å
133D49.4Very low48.2Very low156 Ų156121.4 Ų121.483%0.83468%0.681SS**THydrogen-bonded Turntrans-74-10.8175.6-150.935000112.7
134C40.5Very low46.7Very low98 Ų98118.9 Ų118.966%0.66268%0.68SS**THydrogen-bonded Turntrans-98.720.1178.7-70.10000114.5M131 L132 P136M131-C134 PolarHBondContact O-N 3.22Å; L132-C134 PolarHBondContact O-N 3.4Å; C134-P136 WeakPolarHBondContact O-CD 3.26Å
135Q37.1Very low45.3Very low150 Ų150118.3 Ų118.370%0.70169%0.685SS**PPolyproline II helixtrans-84120.2171.3-88.4-127.6-113.100112.3
136P41Very low43.8Very low110 Ų110120.7 Ų120.771%0.71470%0.702SS**PPolyproline II helixtrans-63.5137.4162.7-17.731.9000110.2C134C134-P136 WeakPolarHBondContact O-CD 3.26Å
137A37.1Very low41.7Very low85 Ų85125.6 Ų125.670%0.70272%0.72SS**PPolyproline II helixtrans-59.4140.1-178.400000112.4N139A137-N139 PolarHBondContact O-N 2.83Å
138P38Very low40Very low124 Ų124129 Ų12981%0.80574%0.74SS**  trans-70.3105.3-178.227.9-34.2000111.3L140P138-L140 PolarHBondContact O-N 2.94Å
139N39.9Very low38.4Very low166 Ų166128.3 Ų128.389%0.88875%0.749SS**  trans-72.993.8177.5-110.5-43.3000111.8A137A137-N139 PolarHBondContact O-N 2.83Å
140L32.1Very low36.9Very low159 Ų159131.3 Ų131.383%0.83276%0.763SS**  trans-146.5129.5162.3-127.268.5000105.2P138P138-L140 PolarHBondContact O-N 2.94Å
141V31.2Very low35.3Very low135 Ų135136.5 Ų136.582%0.81878%0.781SS**  cis-133142.836171.90000111.6
142Q29.6Very low34.1Very low189 Ų189136.2 Ų136.288%0.88379%0.787SS**  trans-107.9131.9168.6-164174.426.600109.9
143A27Very low33.3Very low83 Ų83136.2 Ų136.269%0.68680%0.798SS**  trans-93.7154.6178.200000111.7
144P34.8Very low32.2Very low115 Ų115132 Ų13275%0.74779%0.79SS**  trans-72.4166.7178.934.1-38.2000111.4
145V30.8Very low31.6Very low131 Ų131130.6 Ų130.679%0.79479%0.793SS**  cis-160.1-168.730.2-129.30000107.3
146P38.5Very low31.2Very low110 Ų110135.1 Ų135.171%0.71481%0.805SS**  cis-131-172.9-24.835.8-15.4000114.5
147F23.4Very low30.7Very low195 Ų195133.9 Ų133.986%0.85581%0.813SS**  trans-34.5145174.8-68-97.9000120.3
148S28.5Very low30.4Very low126 Ų126133.7 Ų133.788%0.88182%0.818SS**  -158.2153.5121-860000114.4
149S26.3Very low29.9Very low112 Ų112131.5 Ų131.578%0.78382%0.819SS**  trans-59.9140.6-159-540000120.6
150Q28.3Very low29.4Very low188 Ų188130.8 Ų130.888%0.87982%0.82SS**  trans17.4133.5137-56.5-179.313.100120.8
151L27.8Very low29.2Very low172 Ų172126.4 Ų126.490%0.90181%0.814SS**  trans-147.2140.4130.3-126.5168.3000110.4
152V27.8Very low29.2Very low134 Ų134126.6 Ų126.681%0.81281%0.814SS**  trans-108.8126.8-177.9150.40000110.6
153S30.1Very low29Very low123 Ų123123.3 Ų123.386%0.8681%0.807SS**  trans-171.1144.8151.3-158.80000109
154G26.7Very low29.1Very low66 Ų66125.4 Ų125.468%0.6881%0.811SS**  cis162.374.4-3.500000113.4
155G26.9Very low28.8Very low69 Ų69126.1 Ų126.171%0.71181%0.814SS**  trans70.5106.3155.600000119.1
156Y29.7Very low28.7Very low246 Ų246123 Ų12397%0.96581%0.809SS**  trans-131.8144.9139.1-73.7-80000108.5
157G30.3Very low28.1Very low84 Ų84124.9 Ų124.987%0.86682%0.818SS**  trans-173.5166.3177.400000112
158G30.1Very low28.3Very low80 Ų80119.8 Ų119.883%0.82581%0.812SS**  trans138.8103.7171.500000114.8
159G27.4Very low28.2Very low79 Ų79118.4 Ų118.481%0.81481%0.808SS**  trans81.4155.4166.900000115.7
160V30.6Very low28.3Very low150 Ų150122.7 Ų122.791%0.90981%0.813SS**  cis-131.1151.4-0.8179.90000109.6
161G28.3Very low28.7Very low68 Ų68119.9 Ų119.970%0.70181%0.811SS**  trans-80.3135.7-170.400000116.2
162V29.7Very low28.7Very low138 Ų138116.9 Ų116.984%0.83681%0.811SS**  trans-18.8143.6141.6-161.80000115.8
163V26.8Very low28.7Very low121 Ų121113.8 Ų113.873%0.73381%0.807SS**  155.4122.2125.31620000112.5
164T27.3Very low28.6Very low126 Ų126116.9 Ų116.977%0.77381%0.808SS**  trans157.1134.9137.644.90000108.2
165T29.6Very low28.7Very low131 Ų131119.7 Ų119.780%0.80481%0.811SS**  cis-154.8149.7-11.621.60000106
166G28.3Very low28.7Very low66 Ų66122.9 Ų122.968%0.6881%0.811SS**  61.6128.981.900000112.5
167T25.8Very low28.6Very low148 Ų148120 Ų12091%0.90881%0.806SS**  cis-155.4-177.27.541.40000107.6
168A27.3Very low28.3Very low88 Ų88119.8 Ų119.873%0.72781%0.805SS**  cis-160.4141.326.600000108.5
169A26.6Very low28.2Very low97 Ų97122.7 Ų122.780%0.80281%0.806SS**  107127.675.600000113
170F28Very low28.7Very low203 Ų203124.4 Ų124.489%0.8980%0.803SS**  trans-88.6170.5174.6-68.8-92.5000111.9
171P37Very low28.9Very low128 Ų128122.8 Ų122.883%0.83180%0.795SS**  -116.2156.7125.534.7-32.7000112.5
172A27.5Very low29.3Very low109 Ų109127.9 Ų127.990%0.90181%0.806SS**  trans-104.4164.3-172.800000113.4
173G27.9Very low29.1Very low70 Ų70125.9 Ų125.972%0.72280%0.804SS**  trans-171.391.817700000117.2
174Q29.9Very low29Very low188 Ų188128.2 Ų128.288%0.87981%0.812SS**  trans70.6157.4156.2-56.2-62.6-6.500120.1
175V27.6Very low29.2Very low124 Ų124125.6 Ų125.675%0.75281%0.81SS**  trans-150.1150.4-167.4175.30000108.1
176L28.1Very low29.1Very low137 Ų137124 Ų12472%0.71780%0.804SS**  trans165.2125.7132.8-87.1164.6000114.6
177Q25.9Very low29.8Very low184 Ų184127.4 Ų127.486%0.8681%0.812SS**  trans40.1128.5137.3-66172.3-3.900121.9
178G25.4Very low30Very low81 Ų81128.2 Ų128.284%0.83581%0.805SS**  trans-175.871.6170.200000115.6
179V28.2Very low30.2Very low141 Ų141129.3 Ų129.386%0.85580%0.795SS**  trans-124.9156164.4-115.20000106.6
180P37.9Very low30.3Very low114 Ų114131.8 Ų131.874%0.7479%0.793SS**  cis-128-147.912.542.4-21.2000110.1
181P34.4Very low30.5Very low116 Ų116129.8 Ų129.875%0.75379%0.786SS**  cis-133.7179-6.441.6-23.1000116.8
182L36.3Very low30.4Very low176 Ų176130.1 Ų130.192%0.92179%0.786SS**  trans-77.3138.2170.6-160.276000111
183A25.4Very low30.6Very low96 Ų96133 Ų13379%0.79379%0.786SS**  trans-143.4143.7171.600000111.8
184N24.9Very low30.9Very low170 Ų170131.5 Ų131.591%0.90977%0.769SS**  trans-72.1162-171.9-163.710.6000113.1
185G30.3Very low31.1Very low70 Ų70128.6 Ų128.672%0.72277%0.77SS**  trans-64.1151.6-16500000117
186S28.4Very low31.6Very low97 Ų97131.5 Ų131.568%0.67877%0.773SS**  trans-148140.4163.3-177.70000108.6Q188S186-Q188 PolarHBondContact O-N 3.36Å
187T43.2Very low31.9Very low138 Ų138128.7 Ų128.785%0.84778%0.777SS**  trans-68.6117.1179.536.20000110.9
188Q29.9Very low32.5Very low165 Ų165124.9 Ų124.977%0.77178%0.777SS**  trans-108.2110.4178-72.1-60.9-47.800111.8S186S186-Q188 PolarHBondContact O-N 3.36Å
189H30.6Very low33Very low112 Ų112126.8 Ų126.852%0.51978%0.777SS.*  trans-61.4120.4-178.1-170.8-48.1000111.7Q191H189-Q191 PolarHBondContact O-N 3.23Å
190I30.3Very low33.4Very low148 Ų148124.2 Ų124.276%0.75978%0.78SS**  trans-69.9126.7166.6-62.4177.9000107.9V192I190-V192 HydrophobicContact CG2-CG2 4.23Å
191Q31.1Very low33.2Very low161 Ų161122.4 Ų122.475%0.75278%0.782SS**  trans-112112.4171.9-68.7-175.1-500108.9H189 L193H189-Q191 PolarHBondContact O-N 3.23Å; Q191-L193 PolarHBondContact O-N 3.15Å
192V34.6Very low33.3Very low135 Ų135123.1 Ų123.182%0.81878%0.784SS**  trans-89.9102.9171.4-177.90000107.9I190 G194I190-V192 HydrophobicContact CG2-CG2 4.23Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 3.24Å
193L33Very low33.1Very low171 Ų171123.3 Ų123.390%0.89578%0.782SS**  trans-77.976.3179.6-174.860.4000111Q191 S195Q191-L193 PolarHBondContact O-N 3.15Å; L193-S195 PolarHBondContact O-N 2.96Å
194G34.2Very low33.8Very low37 Ų37123.2 Ų123.238%0.38177%0.772SS.*  trans-69.8119.1167.900000110.6V192 F196V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 3.24Å; G194-F196 WeakPolarHBondContact O-CD2 3.27Å; G194-F196 PolarHBondContact O-N 2.92Å; G194-F196 VanDerWaalsContact O-N 3.16Å
195S33.4Very low34.1Very low127 Ų127123.5 Ų123.589%0.88877%0.772SS**  trans-82.493.2177.7-160.90000110.3L193L193-S195 PolarHBondContact O-N 2.96Å
196F37.2Very low34Very low185 Ų185125.6 Ų125.681%0.81178%0.776SS**  trans-108.6146174.4-60.1-74.3000111G194 A198G194-F196 WeakPolarHBondContact O-CD2 3.27Å; G194-F196 PolarHBondContact O-N 2.92Å; G194-F196 VanDerWaalsContact O-N 3.16Å; F196-A198 PolarHBondContact O-N 3.43Å
197G35.4Very low34.1Very low78 Ų78126.3 Ų126.380%0.80478%0.781SS**SBendtrans-70.9112.9-179.300000113.2S199G197-S199 PolarHBondContact O-N 3.37Å
198A39.1Very low33.6Very low105 Ų105127.4 Ų127.487%0.86878%0.781SS**SBendtrans51.550.315000000119.1F196F196-A198 PolarHBondContact O-N 3.43Å
199S35Very low34.1Very low120 Ų120127.1 Ų127.184%0.83978%0.78SS**  trans-165.7145.4137.944.30000111.1G197G197-S199 PolarHBondContact O-N 3.37Å
200G37.3Very low34.3Very low88 Ų88132.6 Ų132.691%0.90780%0.795SS**  trans-100.3133.6-167.800000114.4
201G33.2Very low34.3Very low76 Ų76131.8 Ų131.878%0.78480%0.798SS**  trans-153.8128.5164.900000109.4
202V35.8Very low34.4Very low130 Ų130129.4 Ų129.479%0.78880%0.796SS**  trans-110.1129.5-178.6-177.80000109
203M32.2Very low34.2Very low180 Ų180131.8 Ų131.889%0.88780%0.798SS**  trans-107141.2165.1-62.3-166.9-156.700109.8
204T39.8Very low34.2Very low94 Ų94130.8 Ų130.858%0.57779%0.792SS**  trans-116.9141.416752.30000109.1
205L32.7Very low34.1Very low177 Ų177134.7 Ų134.793%0.92781%0.809SS**  trans-107.3129.5176-67.2174.3000109.2
206S27.8Very low33.9Very low114 Ų114136.2 Ų136.280%0.79781%0.806SS**  trans-120.9155.1176.4-670000109.8
207S29.5Very low33.6Very low112 Ų112138.6 Ų138.678%0.78381%0.81SS**  trans-16.5125.9-175.2-53.60000118.3E209S207-E209 VanDerWaalsContact C-N 3.31Å; S207-E209 PolarHBondContact O-N 3.08Å
208L34.2Very low33.4Very low161 Ų161141.4 Ų141.484%0.84381%0.814SS**  trans-77.575.4172.6-175.262.2000111.4
209E39.1Very low32.9Very low159 Ų159140 Ų14074%0.74381%0.809SS**  trans-128.7113.9165-70.7-174-179.900109.5S207S207-E209 VanDerWaalsContact C-N 3.31Å; S207-E209 PolarHBondContact O-N 3.08Å
210R35.3Very low32.5Very low226 Ų226140.9 Ų140.985%0.85381%0.809SS**SBendtrans80.5154.7-163.5-55.2-179.117777.21.9115.3
211T30.8Very low32.4Very low131 Ų131142.1 Ų142.180%0.80480%0.801SS**  trans-76.2135.7-178.539.20000112.3Q213T211-Q213 PolarHBondContact O-N 2.93Å
212P33.2Very low32.1Very low112 Ų112145.6 Ų145.673%0.72781%0.807SS**  trans-81.5110175.131.1-32.4000111.1
213Q29.9Very low31.8Very low184 Ų184143.6 Ų143.686%0.8680%0.804SS**  trans-99.4105.5175.1-164.6171.24200109.9T211T211-Q213 PolarHBondContact O-N 2.93Å
214I34.1Very low32.2Very low150 Ų150141.3 Ų141.377%0.76980%0.803SS**  trans-84.2126.3-176.5-60.4178.3000110.2L216I214-L216 HydrophobicContact CG2-CG 4.37Å
215V30.6Very low31.5Very low120 Ų120141.8 Ų141.873%0.72782%0.816SS**  trans-113.9127.1176.21780000109.6
216L30.6Very low31.3Very low158 Ų158139.8 Ų139.883%0.82781%0.811SS**  trans-121141.5174.5-71.9168.8000110.5I214I214-L216 HydrophobicContact CG2-CG 4.37Å
217R30.2Very low31.3Very low236 Ų236140.9 Ų140.989%0.89181%0.813SS**  trans-103.3145.4177.8-74.4-178.7172177.3-2.5110.8
218P31.5Very low31.2Very low137 Ų137139.6 Ų139.689%0.8981%0.809SS**  trans-71.7151.9177.4-16.831.5000113.8
219G27.3Very low31Very low74 Ų74137 Ų13776%0.76381%0.811SS**  trans-126.3156171.500000112
220V28.3Very low30.5Very low139 Ų139133.6 Ų133.684%0.84282%0.818SS**  trans-98142.3-166.5177.70000112
221P34.3Very low30.1Very low114 Ų114126.4 Ų126.474%0.7481%0.814SS**  trans-81.3159.9-179.133.4-37.6000114.5
222V27.3Very low30Very low149 Ų149128.7 Ų128.790%0.90382%0.816SS**  trans-135.6147.9171.8177.70000109.9
223A28.7Very low29.8Very low89 Ų89129 Ų12974%0.73682%0.816SS**  trans-94168.6-169.300000114
224P41.9Very low29.5Very low132 Ų132130.3 Ų130.386%0.85782%0.819SS**  trans-90170.3-166.236.5-36.5000115.1
225A25.2Very low29.2Very low104 Ų104127.2 Ų127.286%0.8682%0.816SS**  trans-129.2149.7175.900000112.8
226V27.5Very low29.7Very low134 Ų134126.9 Ų126.981%0.81282%0.816SS**  trans-97.7147.4-164.3175.40000112.8
227T28.2Very low29.4Very low138 Ų138126.1 Ų126.185%0.84782%0.818SS**  trans166.6156138.434.60000111.3
228A27.3Very low29.3Very low84 Ų84124.3 Ų124.369%0.69482%0.82SS**  cis-169160.7-26.900000111.4
229A29.6Very low29.1Very low107 Ų107121.4 Ų121.488%0.88482%0.815SS**  trans69.8147.1152.900000121.8
230G28Very low29.1Very low87 Ų87127.1 Ų127.190%0.89782%0.821SS**  trans103.7129.3150.500000116.4
231G28.1Very low29.1Very low75 Ų75127.2 Ų127.277%0.77382%0.822SS**  trans-143.9-170.2171.600000112.2
232Q28.5Very low28.7Very low179 Ų179124.9 Ų124.984%0.83682%0.818SS**  trans90101.6-178.2-55.1-70.735.500117.9
233V28.6Very low29Very low120 Ų120126.1 Ų126.173%0.72782%0.819SS**  39.7114.3126.2-176.50000118.8
234F24.7Very low29.4Very low211 Ų211127.5 Ų127.593%0.92582%0.821SS**  trans-160.4154.7131.4-110.9-73.4000111.6
235A26.8Very low28.8Very low84 Ų84131.1 Ų131.169%0.69482%0.823SS**  trans-151.6172170.900000107.9
236P41Very low29Very low114 Ų114135.1 Ų135.174%0.7482%0.821SS**  cis-125.6-173.5-4.442.5-28.7000112.7
237T25.3Very low29Very low141 Ų141136.4 Ų136.487%0.86582%0.823SS**  trans-175.4170.1133.318.90000114.2
238Q26.5Very low29.4Very low199 Ų199136.9 Ų136.993%0.9382%0.819SS**  trans-68.1155-166.6-61.1161.1-4900116.3
239G27.9Very low29.6Very low76 Ų76137.5 Ų137.578%0.78482%0.816SS**  trans-168134.4160.900000112.3
240Q27.2Very low29.8Very low193 Ų193140.3 Ų140.390%0.90282%0.816SS**  trans-80.8166.9166.7-66.5165.2-59.900108.4
241V29.4Very low30.2Very low142 Ų142144 Ų14486%0.86181%0.81SS**  -161.7152.862.5172.40000109.4
242G25.5Very low30.2Very low64 Ų64147.8 Ų147.866%0.6681%0.812SS**PPolyproline II helixtrans-84.2159.2179.400000115.4
243L32.7Very low30.5Very low176 Ų176147.1 Ų147.192%0.92181%0.813SS**PPolyproline II helixtrans-97134.5178.2-65.5170.9000112.1
244P36.9Very low30.7Very low118 Ų118148.2 Ų148.277%0.76681%0.813SS**PPolyproline II helixtrans-101.8152.7162.635.5-29.2000113.2
245F29.1Very low31.1Very low208 Ų208145.5 Ų145.591%0.91281%0.806SS**PPolyproline II helixtrans-50.2160.3-169.8-68.5-96.1000119.8
246K29.1Very low31.2Very low188 Ų188150 Ų15082%0.81781%0.813SS**PPolyproline II helixtrans-52.9142.6164.4-75.6177.4173.7175.90112.4
247N28.5Very low30.8Very low160 Ų160156 Ų15686%0.85682%0.821SS**  trans-153.9135.1134.8-119.4-96.9000108.7
248I36.4Very low31.1Very low148 Ų148152.6 Ų152.676%0.75981%0.814SS**  trans-135.2108.9-178.6-58176.1000108.4
249P31.1Very low31.7Very low97 Ų97149.9 Ų149.963%0.6381%0.814SS**  trans-80.8147.9166.333-32.4000110.7
250L34.3Very low31.8Very low167 Ų167150.2 Ų150.287%0.87482%0.818SS**  trans-72.9149.8170.2-65.7167.4000110.3
251Q36.1Very low31.8Very low164 Ų164144.4 Ų144.477%0.76681%0.81SS**  trans-132.1123.9-177.8-133.387.711200111.6
252N28.2Very low31.9Very low155 Ų155144.2 Ų144.283%0.82981%0.809SS**  trans-74144.4-179.9-70.3-18.6000111.9
253I36Very low32.2Very low165 Ų165149.3 Ų149.385%0.84682%0.815SS**  trans-87.8126.5174.9-60.7175.6000109.3
254I32.9Very low32.1Very low142 Ų142145.6 Ų145.673%0.72881%0.81SS**  trans-106.5125177.5-60.1175.3000109.7
255I31.8Very low31.7Very low155 Ų155147 Ų14780%0.79581%0.809SS**  trans-90115.4175-57.8176000109.4
256Q29.4Very low31.7Very low179 Ų179143.7 Ų143.784%0.83681%0.806SS**PPolyproline II helixtrans-91126174-69.6176.253.700111
257R31.8Very low31.8Very low238 Ų238144.7 Ų144.790%0.89881%0.805SS**PPolyproline II helixtrans-86.3152.8167.7-76.3-171.2177.2-172.21.8111.1
258G32.6Very low32Very low71 Ų71143.2 Ų143.273%0.73280%0.804SS**PPolyproline II helixtrans-65.8160.117300000113.7
259P38.4Very low31.6Very low141 Ų141143.8 Ų143.892%0.91681%0.807SS**PPolyproline II helixtrans-85.9145-160.933-36.7000114.9
260G29.4Very low31.4Very low84 Ų84147.6 Ų147.687%0.86682%0.816SS**  trans-17951.8175.200000116
261G29Very low31.2Very low71 Ų71145.4 Ų145.473%0.73281%0.812SS**SBendtrans162.5107.1172.700000116.6
262T30.1Very low30.7Very low137 Ų137147.3 Ų147.384%0.8482%0.818SS**  trans43.895.215350.60000121.7
263Q32.5Very low30.8Very low171 Ų171145 Ų14580%0.79981%0.811SS**  60.2100.9123.5-60.5-74.536.600121.6
264A29.6Very low30.4Very low98 Ų98142.1 Ų142.181%0.8181%0.806SS**  -157.9142.4127.600000110.2
265I29.6Very low30.1Very low147 Ų147144 Ų14475%0.75481%0.812SS**  trans-120.4125.5178.3-64.8174.3000109.8
266V29.2Very low30Very low139 Ų139141.4 Ų141.484%0.84281%0.813SS**  trans-129.1137.7167.4-177.20000108.6
267R31Very low29.8Very low210 Ų210136.8 Ų136.879%0.79281%0.806SS**  trans-92.6145.2175.8-69.8-173.2179.893-2.5110.6
268P31.8Very low29.7Very low128 Ų128130.8 Ų130.883%0.83180%0.8SS**  trans-70.5133.3169.630.4-33.7000110.4
269I28Very low29.5Very low161 Ų161134.5 Ų134.583%0.82680%0.798SS**  trans-131.9136.9169.2-61.5-176.6000109
270Q28.1Very low28.8Very low176 Ų176134.1 Ų134.182%0.82279%0.794SS**  trans-74.3143.3-174.2-172.7176.544.400112
271P29.8Very low28.5Very low122 Ų122134.9 Ų134.979%0.79278%0.781SS**  trans-69.2141.8178.128.3-34.9000112.2
272K25.1Very low28.3Very low204 Ų204140 Ų14089%0.88778%0.784SS**  trans-136.9154168.7-110.6-171.1174.1-178.30110.5
273P30.9Very low28Very low107 Ų107138.1 Ų138.170%0.69578%0.776SS**  trans-100.9152.6-158.937.7-36.2000116.4
274S26.4Very low27.6Very low104 Ų104138 Ų13873%0.72778%0.78SS**  trans65.7160.8142.670.70000122.7
275Q28.6Very low27.3Very low182 Ų182136.1 Ų136.185%0.8577%0.77SS**  trans81.7120.7176.5-53.1-168.116.100115.1
276A28.6Very low27.2Very low100 Ų100137.6 Ų137.683%0.82678%0.779SS**  94.2152.75500000111.9
277A25.6Very low26.9Very low82 Ų82139.7 Ų139.768%0.67878%0.779SS**  cis-142.9176.79.100000110.7
278S29.1Very low27.2Very low112 Ų112133.9 Ų133.978%0.78377%0.769SS**  167.1158.276.649.70000110.4
279Q28.4Very low26.8Very low148 Ų148134.3 Ų134.369%0.69277%0.77SS**  cis-162.8151.8-14.9-114-75.4-100109.7
280T25Very low27.3Very low134 Ų134131.9 Ų131.982%0.82276%0.764SS**  trans-175.9-178154.314.60000111.4
281V23Very low27.3Very low99 Ų99128.5 Ų128.560%0.676%0.76SS**  trans-131.8161.9-171-70.20000109.8
282F23.8Very low27.1Very low179 Ų179128.3 Ų128.379%0.78576%0.756SS**  cis-123.716620.2-70.1-82.8000111.4
283S24Very low27.3Very low98 Ų98126.8 Ų126.869%0.68576%0.757SS**  64.913452.6-22.80000113.5
284L24.4Very low27.1Very low167 Ų167126.7 Ų126.787%0.87476%0.759SS**  cis-164158.42.6-172.968.9000108.2
285G23.5Very low27Very low59 Ų59127.5 Ų127.561%0.60877%0.765SS**  cis153.7168.3-7.400000113.1
286L26.1Very low27.1Very low179 Ų179124.5 Ų124.594%0.93776%0.758SS**  trans78148.9173.2-59.4175.5000120.9
287Q23.5Very low27.1Very low182 Ų182125.9 Ų125.985%0.8576%0.756SS**  trans-97.6-176.9171.8-108.8-171.9-48.700110.5
288P38Very low27.2Very low88 Ų88129 Ų12957%0.57176%0.761SS**  cis-139.7150.1-29.235.3-17.6000115.9
289T23.8Very low27.2Very low138 Ų138127 Ų12785%0.84775%0.752SS**  trans58175156.254.40000119.3
290P38.3Very low27.3Very low110 Ų110127.1 Ų127.171%0.71476%0.757SS**  cis-125.9-156.1-13.441.8-24.7000113.3
291S26.8Very low27.4Very low105 Ų105126.4 Ų126.473%0.73475%0.753SS**  trans78.9150.1154.770.10000120.5
292T27.1Very low27.7Very low117 Ų117127.9 Ų127.972%0.71876%0.762SS**  cis-171.2144.2-22.2-850000108.7
293L28.1Very low28Very low173 Ų173125.6 Ų125.691%0.90676%0.763SS**  trans-169.8155.9136.7-104.6177.4000111.7
294S26.8Very low28.6Very low104 Ų104126.6 Ų126.673%0.72777%0.767SS**  trans-148140.6-162.7-44.50000114
295S25.4Very low28.6Very low121 Ų121122.6 Ų122.685%0.84677%0.766SS**  trans-172.4148.3159.7-167.50000111.5
296V29.8Very low28.8Very low119 Ų119123.2 Ų123.272%0.72177%0.772SS**  -169133.7-53.8129.10000109.7
297V29.7Very low28.8Very low129 Ų129123.4 Ų123.478%0.78277%0.769SS**  trans66.2145.9165.2165.90000115.5
298N27.2Very low29Very low147 Ų147125.9 Ų125.979%0.78677%0.772SS**  cis-146.3127.524.8-140.914.4000107.6
299A29.1Very low28.6Very low71 Ų71127.5 Ų127.559%0.58778%0.78SS**  87.712365.500000116.7
300N30.1Very low28.6Very low150 Ų150126.1 Ų126.180%0.80278%0.783SS**  trans74147.2152.7-62.6-2.7000119.5
301T27.6Very low28.2Very low119 Ų119128.6 Ų128.673%0.7379%0.79SS**  cis-168.8173.3-8.523.20000111.3
302V28.2Very low28.3Very low131 Ų131126.8 Ų126.879%0.79479%0.788SS**  trans9095.1156.7-164.20000119.3
303T29.9Very low28.3Very low130 Ų130126.2 Ų126.280%0.79879%0.789SS**  trans-74.7152.1141.649.40000110.3
304P36.2Very low28.3Very low119 Ų119125.2 Ų125.277%0.77378%0.783SS**  -158.6160.384.940.9-21.4000118.9
305G25.2Very low28.5Very low83 Ų83125.8 Ų125.886%0.85678%0.781SS**  trans93144.9150.200000116.2
306G27.8Very low28.6Very low72 Ų72126 Ų12674%0.74278%0.777SS**  cis-157.6151.5-2.200000112.4
307Q25.5Very low28.5Very low183 Ų183128.3 Ų128.386%0.85578%0.78SS**  trans-83.4139.3-179.1-63.7166.8-27.500111
308Y29Very low28.6Very low234 Ų234127 Ų12792%0.91878%0.775SS**  trans-129.9142.7153.1-75.6-72.2000110.4
309T28.2Very low28.8Very low123 Ų123125.8 Ų125.876%0.75577%0.774SS**  trans-99133.2-163.951.70000111.9
310A25.6Very low28.8Very low109 Ų109129.6 Ų129.690%0.90178%0.782SS**  trans-58.3138.1167.200000111.2
311N28.8Very low28.7Very low162 Ų162130.1 Ų130.187%0.86679%0.785SS**  trans-156.6144.4172.7-149-28.3000109.5
312G29.4Very low29.1Very low66 Ų66132.2 Ų132.268%0.6879%0.786SS**  trans92.990.3-178.200000114.5
313S26.8Very low29.2Very low106 Ų106133.7 Ų133.774%0.74179%0.785SS**  trans-72.6133.1162.8171.90000110.3
314I28.3Very low29.4Very low151 Ų151135.5 Ų135.577%0.77478%0.784SS**  trans-125.7104.6156.7-65-178.1000107.8V316I314-V316 HydrophobicContact CG2-CG2 3.96Å
315V30.5Very low29Very low116 Ų116138.7 Ų138.770%0.70379%0.791SS**  trans-80.9113.7164.6173.90000108
316V26.9Very low29.2Very low125 Ų125143.5 Ų143.576%0.75879%0.791SS**  trans-119.6103.3156.1174.30000106.7I314I314-V316 HydrophobicContact CG2-CG2 3.96Å
317Q27.8Very low29.3Very low169 Ų169144.4 Ų144.479%0.7979%0.792SS**  trans-82.6139.6174.4-158.9158.93.800108.5
318P33.5Very low29.7Very low102 Ų102145.1 Ų145.166%0.66280%0.795SS**  trans-82.7152-159.631.8-36.7000113.3M320P318-M320 PolarHBondContact O-N 2.93Å
319P30.3Very low29.6Very low120 Ų120139.7 Ų139.778%0.77979%0.787SS**  trans-74109.7154.731.4-28.9000108.9
320M30Very low29.7Very low151 Ų151138.7 Ų138.774%0.74478%0.776SS**  trans-72.6139144.3-90.8-164.169.900107.7P318 Q322P318-M320 PolarHBondContact O-N 2.93Å; M320-Q322 HydrophobicContact CE-CB 4.43Å
321D27.9Very low30Very low162 Ų162140.7 Ų140.787%0.86677%0.771SS**  trans-137.2135.1157.7-122.1-41.8000109.6
322Q34.8Very low29.9Very low163 Ų163138.4 Ų138.476%0.76277%0.767SS**  trans-148.680.7-170.4-174.4-167.896.700110.1M320M320-Q322 HydrophobicContact CE-CB 4.43Å
323Q31.8Very low30Very low161 Ų161144.6 Ų144.675%0.75278%0.778SS**  trans-151.1107.5167-142.7157.35.300108.1
324Q32.8Very low30.2Very low168 Ų168142.9 Ų142.979%0.78578%0.778SS**  61.1110.577.9-172.4-167.354.100111.7
325M27.5Very low30.2Very low186 Ų186144 Ų14492%0.91678%0.78SS**  trans-129.1138.9167.4-165.8172.3-168.600109.5
326Q30.6Very low30.1Very low184 Ų184148.3 Ų148.386%0.8679%0.789SS**  trans-82.2140.6-175.1-64.1164-4600111.4
327A28.5Very low30.1Very low92 Ų92149.5 Ų149.576%0.7679%0.791SS**  trans-121.6123159.300000108.2
328Q34.5Very low30.6Very low197 Ų197148.5 Ų148.592%0.92179%0.79SS**  trans-79.1119.9175.7-68.9178.6-8.100109.8
329T27.3Very low30.4Very low121 Ų121149.9 Ų149.974%0.74280%0.799SS**  trans-121.3100.5165.2470000110.2
330N30.7Very low30.3Very low101 Ų101151 Ų15154%0.5480%0.798SS.*  trans-80.5111.4171168.560.1000109.4K637N330-K637 WeakPolarHBondContact OD1-CD 3.5Å; N330-K637 PolarHBondContact OD1-NZ 3.45Å
331I31.3Very low30.2Very low152 Ų152148.8 Ų148.878%0.77980%0.798SS**  trans-142.6130.817319.9174.6000110.3
332S27.4Very low30.3Very low114 Ų114149.3 Ų149.380%0.79780%0.799SS**  trans-86.6157.6-178.9-52.70000112
333Q30.5Very low30Very low195 Ų195147.4 Ų147.491%0.91180%0.799SS**  trans-69.9156.3176.8-62.2173.4-10.100112.8
334G30.3Very low29.8Very low71 Ų71147.6 Ų147.673%0.73281%0.805SS**  trans114.273.6145.100000119.3
335Q29.2Very low29.6Very low174 Ų174145.3 Ų145.381%0.81380%0.802SS**  -174.1122.5128.9-108.4-179.657.400111.7
336F28.3Very low29.7Very low207 Ų207142.3 Ų142.391%0.90880%0.797SS**  trans-116.4115.1162.4-91.4-84000108.9
337L27Very low29.4Very low149 Ų149138.9 Ų138.978%0.7879%0.793SS**  trans-102.8119.6168.3-87.5163.6000108.4
338L37.5Very low29.3Very low149 Ų149142.2 Ų142.278%0.7880%0.798SS**  trans-76.1128.6171.2-65.385.8000109.1N340L338-N340 PolarHBondContact O-N 3.26Å
339P29.4Very low29Very low130 Ų130137.6 Ų137.684%0.84479%0.793SS**  trans-75.8106.4167.629.8-31.1000109.6
340N28.3Very low29Very low144 Ų144139.2 Ų139.277%0.7780%0.796SS**  trans-62141.9173.6-87.5-1.1000112.2L338L338-N340 PolarHBondContact O-N 3.26Å
341S28.9Very low28.9Very low105 Ų105143.4 Ų143.473%0.73481%0.812SS**  trans12.3109151.5-50.20000118.7T343S341-T343 PolarHBondContact O-N 2.91Å
342L29.1Very low28.7Very low172 Ų172143.5 Ų143.590%0.90181%0.814SS**  trans-87.697.9156.2-82170.4000110.1
343T28.2Very low28.6Very low123 Ų123141.6 Ų141.676%0.75581%0.812SS**PPolyproline II helixtrans-75.2120.2169.247.60000110.8S341S341-T343 PolarHBondContact O-N 2.91Å
344L28.2Very low28.5Very low166 Ų166138.3 Ų138.387%0.86981%0.811SS**PPolyproline II helixtrans-102.8118.1168.7-70.2172.5000109.9
345T29.8Very low28.4Very low119 Ų119139.7 Ų139.773%0.7382%0.816SS**PPolyproline II helixtrans-92.5128.5176.748.40000111.5
346P28.1Very low28.4Very low124 Ų124138.3 Ų138.381%0.80581%0.814SS**  trans-84.4113.3172.832.1-31.4000111.3
347S24.4Very low28.8Very low112 Ų112133.9 Ų133.978%0.78381%0.806SS**  trans-97100.3175.8-68.30000111.6
348N27.3Very low28.8Very low161 Ų161131.2 Ų131.286%0.86180%0.8SS**  trans-69.7130.1168.4-87.1-13.3000111.1
349A27.9Very low28.4Very low100 Ų100130 Ų13083%0.82680%0.803SS**  trans-137.495.7169.700000110
350I27Very low28.3Very low155 Ų155129.6 Ų129.680%0.79580%0.804SS**  trans-79.2134.3174.3-61.1171.3000108.7
351H29.2Very low28.3Very low189 Ų189128.9 Ų128.988%0.87581%0.805SS**  trans-141135.4159.4-133.1-88.1000111.9
352N25.8Very low28.4Very low154 Ų154132.5 Ų132.582%0.82482%0.815SS**  trans-104142.5-176.1-173.11.6000109.9
353G26.5Very low28.5Very low74 Ų74131.1 Ų131.176%0.76381%0.807SS**  trans177.4113.4-179.500000113.1
354S27.4Very low28.5Very low126 Ų126129.7 Ų129.788%0.88181%0.808SS**  trans-94131.4-171145.80000114
355A28.6Very low28.5Very low101 Ų101129.5 Ų129.584%0.83581%0.808SS**  trans-157.5145.6147.800000111.6
356N28.7Very low28.5Very low145 Ų145131.7 Ų131.778%0.77581%0.81SS**  trans-144.4138.9172.9-163.63.8000106.5S358N356-S358 PolarHBondContact OD1-N 3.14Å
357P37Very low28.7Very low113 Ų113131.2 Ų131.273%0.73481%0.807SS**  -147.1134.592.137.3-19.5000116.2
358S27.5Very low28.8Very low94 Ų94131.5 Ų131.566%0.65780%0.804SS**  trans51.5110.8139.364.80000121N356N356-S358 PolarHBondContact OD1-N 3.14Å
359S28.2Very low28.8Very low122 Ų122129.8 Ų129.885%0.85380%0.799SS**  -170157.4117.8-80.30000111.1
360S27.7Very low28.8Very low123 Ų123133.2 Ų133.286%0.8680%0.798SS**  trans-92.9131.3-162.5-460000115.3
361T29.2Very low28.8Very low129 Ų129133.8 Ų133.879%0.79180%0.801SS**  trans-153.7136.2152.113.30000110.3
362L30.8Very low28.7Very low180 Ų180128.7 Ų128.794%0.94279%0.792SS**  trans-97.3123170.8-70.2167.2000108.8
363I30.2Very low28.9Very low143 Ų143127.6 Ų127.673%0.73379%0.793SS**  trans-138.8127.7170.4-60.4-177.2000108.1
364A30Very low29Very low94 Ų94127.8 Ų127.878%0.77780%0.795SS**  trans-85.2137.9172.400000110.3
365N27.7Very low29.2Very low161 Ų161131 Ų13186%0.86180%0.796SS**  trans-89.7107.4177.9-80.2-21.9000111.2
366Q30.1Very low29.1Very low166 Ų166133 Ų13378%0.77679%0.792SS**  trans-111.4124.3159.9-82.3-78.223.800108.3T368Q366-T368 PolarHBondContact O-N 3.43Å
367P32.3Very low28.9Very low114 Ų114135.8 Ų135.874%0.7480%0.798SS**  trans-83.379.3-176.633-34.6000112.4V369P367-V369 PolarHBondContact O-N 2.92Å
368T25Very low28.5Very low117 Ų117135.8 Ų135.872%0.71880%0.801SS**  trans-66.7116.4171.2-570000111.2Q366 Q370Q366-T368 PolarHBondContact O-N 3.43Å; T368-Q370 HydrophobicContact CG2-CG 4.23Å; T368-Q370 PolarHBondContact O-N 3.12Å
369V27.9Very low28.3Very low126 Ų126135.9 Ų135.976%0.76481%0.807SS**  trans-90.299.2173.4-179.10000110.1P367 I371P367-V369 PolarHBondContact O-N 2.92Å; V369-I371 HydrophobicContact CG1-CG1 4.41Å
370Q27Very low28.4Very low172 Ų172135.9 Ų135.980%0.80481%0.807SS**  trans-95.6135.5166.1-78.5-173.2-4.700111.2T368T368-Q370 HydrophobicContact CG2-CG 4.23Å; T368-Q370 PolarHBondContact O-N 3.12Å
371I28.9Very low28.6Very low166 Ų166133.3 Ų133.385%0.85180%0.8SS**  trans-109.5114.7176.5-58.4176.8000108.8V369V369-I371 HydrophobicContact CG1-CG1 4.41Å
372A26.7Very low28.5Very low83 Ų83132.7 Ų132.769%0.68680%0.801SS**  trans-145.1159.1-176.400000109.5
373P29.8Very low28.5Very low130 Ų130132.7 Ų132.784%0.84480%0.796SS**  -100.9158.4-125.3-1.721.9000115.4
374G28.3Very low28.3Very low78 Ų78134.1 Ų134.180%0.80480%0.804SS**  trans-72.8152.3-174.300000116
375Q30.9Very low28.3Very low194 Ų194136.9 Ų136.991%0.90781%0.805SS**  trans-120.8162154.2-77.1-153.419.700110.2
376N26.5Very low28.1Very low142 Ų142137.4 Ų137.476%0.75981%0.806SS**  trans-131.7117.7179170.62.9000108.2
377F24.6Very low27.9Very low204 Ų204136.1 Ų136.190%0.89581%0.805SS**  trans-155.7157.3150.9-92.7-59.2000111.3
378S29.1Very low27.5Very low114 Ų114140 Ų14080%0.79781%0.813SS**  trans-77.8152.6-170.9-173.80000113.8
379A24.4Very low27.6Very low95 Ų95138.1 Ų138.179%0.78582%0.816SS**  trans-135.4125.4166.100000110.9
380S29.7Very low27.6Very low123 Ų123138.6 Ų138.686%0.8682%0.819SS**  trans-76.4159.8174.1-54.50000111.7
381G31.9Very low27.5Very low68 Ų68136.4 Ų136.470%0.70182%0.817SS**  trans-84.9173.6-165.400000118.6
382S27.9Very low27.4Very low117 Ų117134.1 Ų134.182%0.81882%0.816SS**  trans69.9105.6163.252.70000121
383Q30.9Very low27.4Very low180 Ų180133.1 Ų133.184%0.84181%0.814SS**  trans43.4125.7136.1-56.7-172.812.700121.6
384L25.8Very low27.3Very low173 Ų173133.2 Ų133.291%0.90681%0.812SS**  -171.7169104.3-98.2169.9000111.2
385I28.8Very low27.3Very low152 Ų152137.8 Ų137.878%0.77981%0.812SS**  trans-115.3127-174.4-62.9171.2000111.4
386L23.3Very low27.1Very low171 Ų171134.1 Ų134.190%0.89580%0.803SS**  trans-160.3168141.4-141.867.6000112.1
387N25.7Very low27.1Very low140 Ų140133.9 Ų133.975%0.74981%0.806SS**  trans-108.7175.3-171.1-98.7-68.4000114
388H25.7Very low27.1Very low196 Ų196127 Ų12791%0.90779%0.794SS**  trans72.9150.3168.4-74.3-90.5000118.8
389G25.3Very low26.9Very low76 Ų76129 Ų12978%0.78480%0.801SS**  trans140.660.3147.700000119.8
390V27.7Very low27Very low137 Ų137132.4 Ų132.483%0.8380%0.803SS**  trans-28.7125.9158165.10000116.6
391V26.5Very low26.8Very low126 Ų126133.7 Ų133.776%0.76481%0.806SS**  trans75.5142.8147.2165.10000122
392S26.8Very low26.5Very low117 Ų117137.7 Ų137.782%0.81881%0.806SS**  trans75.6120.9158.6-78.50000122.2
393G26.3Very low26.3Very low63 Ų63138.2 Ų138.265%0.64981%0.805SS**  114107.5111.600000120.6
394T28Very low26Very low131 Ų131139.6 Ų139.680%0.80480%0.802SS**  trans57.9107.4140.430.70000122.6
395Q27.6Very low26Very low174 Ų174137.4 Ų137.481%0.81380%0.796SS**  78.3133.6121.2-81.8-167.620.700124.6
396V27.4Very low25.7Very low118 Ų118133.3 Ų133.372%0.71579%0.791SS**  99.4116.5128.5157.80000122
397V24.7Very low25.7Very low136 Ų136132 Ų13282%0.82479%0.791SS**  trans62.2128.7149.3173.20000120.3
398G26.6Very low25.6Very low61 Ų61130.7 Ų130.763%0.62979%0.792SS**  trans-124.3-162.1167.500000112.7
399T24.8Very low25.5Very low156 Ų156127.4 Ų127.496%0.95779%0.79SS**  trans-158175172.99.20000113
400M25.1Very low25.5Very low165 Ų165127.4 Ų127.481%0.81378%0.783SS**  trans-100.2165.5-164.8-55.7175.4171.400115.6
401T27Very low25.3Very low151 Ų151126.1 Ų126.193%0.92678%0.78SS**  -162.6167.2120.58.60000112.7
402Q25.2Very low25.2Very low152 Ų152125 Ų12571%0.7178%0.778SS**  trans-133.3154.5-172.9-62.7177.8-12.200112.7
403T24.1Very low25.3Very low128 Ų128125.7 Ų125.779%0.78578%0.777SS**  168.8129.4128.431.50000109.5
404W22.8Very low25.5Very low208 Ų208128.5 Ų128.579%0.78878%0.784SS**  64.6136.566.6-67.7105.3000112.5
405T25.8Very low25.4Very low127 Ų127129.1 Ų129.178%0.77979%0.787SS**  cis-162.1152.729.9-27.60000114
406G22.6Very low25.3Very low66 Ų66129.7 Ų129.768%0.6879%0.79SS**  trans96.3149.6147.600000119.1
407V24Very low25.1Very low145 Ų145130.5 Ų130.588%0.87980%0.795SS**  cis-147.7154-7-175.80000110.3
408S24.2Very low25.1Very low111 Ų111129.6 Ų129.678%0.77679%0.794SS**  trans-67.6178-180-26.10000114.8
409C23.7Very low25.1Very low127 Ų127132.7 Ų132.786%0.85881%0.805SS**  cis-157.1-162.99.145.50000109.1
410A24.5Very low25.2Very low77 Ų77129.7 Ų129.764%0.63680%0.796SS**  cis-163.3166.88.500000114.4
411S23.1Very low25.9Very low110 Ų110127.8 Ų127.877%0.76980%0.796SS**  trans70150.6145.863.60000123.8
412S25.5Very low26Very low103 Ų103124.5 Ų124.572%0.7279%0.793SS**  trans8275.8156.4-46.20000120.7
413T27.7Very low26.2Very low130 Ų130128.6 Ų128.680%0.79880%0.802SS**  24.3116.1129.3540000120.6
414P30.5Very low26.4Very low123 Ų123130.8 Ų130.880%0.79981%0.808SS**PPolyproline II helixtrans-83.9144.6159.234.2-32.2000112
415V26.1Very low26.8Very low143 Ų143126.6 Ų126.687%0.86781%0.805SS**PPolyproline II helixtrans-100.5128.6167.8176.90000108.5
416Q26.8Very low26.8Very low187 Ų187128.7 Ų128.787%0.87481%0.811SS**PPolyproline II helixtrans-84.8137.2-177-73.2-175.7-73.300112.9
417T23.1Very low27.2Very low134 Ų134131.3 Ų131.382%0.82281%0.813SS**  trans-94.5178.3155.353.10000110.4
418S25Very low27.3Very low117 Ų117127.6 Ų127.682%0.81881%0.805SS**  trans85.5130.2170.4-159.10000118
419C26.1Very low27.6Very low126 Ų126127.8 Ų127.885%0.85181%0.806SS**  trans-63.8146.2167.9-48.30000111.2
420A26.4Very low27.9Very low94 Ų94130.3 Ų130.378%0.77781%0.809SS**  trans-155.9165.2171.500000109.8
421P39.3Very low28Very low124 Ų124130.6 Ų130.681%0.80582%0.819SS**  trans-102.3164.6-14636.9-34.4000115.7
422G30.3Very low28.3Very low83 Ų83129.2 Ų129.286%0.85682%0.822SS**  trans-64.1136.2169.600000112.1
423R27.9Very low28.5Very low237 Ų237134.3 Ų134.389%0.89484%0.835SS**  trans-124.7118.5-179.5-166.3176.1-169.4-120.22110.7
424L28.2Very low28.6Very low174 Ų174131.8 Ų131.891%0.91183%0.834SS**  trans-71.4136.4174.3-72.2162.4000110.7
425T32.3Very low28.6Very low121 Ų121135.3 Ų135.374%0.74284%0.84SS**  trans-99.7110.1176.7-63.10000110.2V427T425-V427 HydrophobicContact CG2-CG2 4.12Å; T425-V427 PolarHBondContact O-N 3.49Å
426L25.8Very low28.6Very low171 Ų171133.1 Ų133.190%0.89584%0.837SS**  trans-78.6111.4169.7-17868000109.7G428L426-G428 PolarHBondContact O-N 3.38Å
427V30.3Very low28.8Very low120 Ų120129.3 Ų129.373%0.72783%0.831SS**  trans-91.598.9174.7-178.70000109.6T425T425-V427 HydrophobicContact CG2-CG2 4.12Å; T425-V427 PolarHBondContact O-N 3.49Å
428G27.3Very low29Very low68 Ų68128 Ų12870%0.70183%0.827SS**  trans-105.1111.8171.800000111.6L426L426-G428 PolarHBondContact O-N 3.38Å
429S29.4Very low29.1Very low115 Ų115128.6 Ų128.680%0.80483%0.83SS**  trans-101.4131.4172.3-68.30000110.4
430I29.7Very low29.6Very low180 Ų180128.3 Ų128.392%0.92383%0.826SS**  trans-123127.1178.5-48.2176.8000109.2
431G27.7Very low29.8Very low82 Ų82130.8 Ų130.885%0.84583%0.831SS**  trans170.8105.9172.200000114.3
432G28.3Very low29.4Very low81 Ų81133.6 Ų133.684%0.83583%0.834SS**  trans133.9128.7172.200000113.6
433Q31.3Very low29.4Very low211 Ų211141 Ų14199%0.98684%0.836SS**  trans-73.1140.5178.5-65.2175-65.800112.2
434G28.7Very low29.3Very low76 Ų76137.4 Ų137.478%0.78483%0.834SS**  trans-173.8134.7168.500000111
435Q30.7Very low29.2Very low198 Ų198136.3 Ų136.393%0.92583%0.828SS**  trans-79.6136-168.2-68.8176-15.600114.6
436A26Very low29.1Very low97 Ų97136.5 Ų136.580%0.80283%0.829SS**  trans69.5138.113900000123
437S31.1Very low29.3Very low106 Ų106134.1 Ų134.174%0.74182%0.821SS**  trans86109.8149.4-144.40000121.2
438S27.8Very low29.2Very low107 Ų107136.5 Ų136.575%0.74883%0.825SS**  trans49.5108.6136.461.60000120.4
439C26.6Very low29.2Very low129 Ų129139.8 Ų139.887%0.87283%0.831SS**  trans-111.2151.9159.7-67.70000110.9
440P36.9Very low29.3Very low120 Ų120143 Ų14378%0.77983%0.834SS**  trans-90.7175.2-172.236.7-37.6000115.3
441V29.4Very low29.1Very low146 Ų146141.8 Ų141.889%0.88583%0.829SS**  trans-57.3145.9178.9179.20000113
442Q31.3Very low28.9Very low184 Ų184143.8 Ų143.886%0.8683%0.829SS**  trans-110.3128.2175.7-64.4173.24.300110.1
443R30.9Very low28.9Very low238 Ų238147 Ų14790%0.89883%0.832SS**  trans-94.2133.7172.9-174.9175.5-76.6-168.7-4.6109.6
444L26Very low28.6Very low161 Ų161142.4 Ų142.484%0.84382%0.823SS**  trans-69.5140.6-175.7-16967.7000111.8
445L26.7Very low28.4Very low151 Ų151146.5 Ų146.579%0.79183%0.826SS**  trans-110118.3172.2177.863.9000109.5
446V29.6Very low28Very low126 Ų126142.5 Ų142.576%0.76482%0.82SS**  trans-80122.9176.41790000109.7
447T29.9Very low28.4Very low120 Ų120143.3 Ų143.374%0.73682%0.817SS**  trans-89.4105.4176.651.80000111.1T449T447-T449 PolarHBondContact O-N 2.82Å
448Q28Very low28.2Very low171 Ų171145.8 Ų145.880%0.79982%0.822SS**  trans-65.5127.7171.4-175.8-178.568.300110.6Q450Q448-Q450 PolarHBondContact O-N 2.86Å
449T27.8Very low28.6Very low136 Ų136145.7 Ų145.783%0.83482%0.818SS**  trans-78.5114.6-179.449.40000111.5T447T447-T449 PolarHBondContact O-N 2.82Å
450Q32.1Very low28.5Very low183 Ų183145.8 Ų145.886%0.85582%0.82SS**  trans-91.2130.3169.6-67.7-176.2-11.600110.5Q448Q448-Q450 PolarHBondContact O-N 2.86Å
451N24.5Very low28Very low155 Ų155147.3 Ų147.383%0.82982%0.822SS**  trans-140.7110.7171.7-179.815.1000108.5
452C24.2Very low27.9Very low124 Ų124145.6 Ų145.684%0.83881%0.811SS**  trans168.9103.2159.1-101.90000110.3
453T27.7Very low27.7Very low149 Ų149142.7 Ų142.791%0.91481%0.807SS**  trans-149.1119.9155.6-390000111.5
454S24.9Very low27.5Very low113 Ų113138.9 Ų138.979%0.7980%0.799SS**  trans-150.7129.5152.362.30000109.9
455L24.4Very low27.5Very low163 Ų163138.9 Ų138.985%0.85380%0.795SS**  trans-177.9124.2141.5-98.9-173.6000110.5
456S23Very low27.5Very low113 Ų113138.6 Ų138.679%0.7979%0.789SS**  trans58.6135.5161.7-67.60000122.1
457P33.6Very low27.4Very low115 Ų115141.7 Ų141.775%0.74779%0.793SS**  trans-114.7-158.2176.544.7-36.7000114
458L26.3Very low27.2Very low158 Ų158140.5 Ų140.583%0.82778%0.781SS**  trans81.7152.4166.6-104.772.6000117.9
459P37.4Very low27.1Very low105 Ų105141.1 Ų141.168%0.68278%0.782SS**  cis-126.3159.4-34.716.65000114
460S24.8Very low27.1Very low131 Ų131143.5 Ų143.592%0.91678%0.776SS**  trans-159.7116.7138.8-84.90000113.6
461N25.9Very low26.8Very low151 Ų151140.8 Ų140.881%0.80776%0.763SS**  trans-55165.7165.6-130.72.4000111.9
462V26.4Very low26.8Very low110 Ų110139.8 Ų139.867%0.66776%0.758SS**  cis-155166.420.3-1540000111.3
463T27.2Very low26.9Very low124 Ų124138.1 Ų138.176%0.76175%0.747SS**  trans70.588.8152.629.20000120.9
464Q26.1Very low26.9Very low157 Ų157138.2 Ų138.273%0.73474%0.741SS**  6.1131.5100.2-178.2173.9-16.700116.9
465E26.3Very low26.9Very low162 Ų162137.5 Ų137.576%0.75774%0.736SS**  -154.8162.393.6-97.9-73.585.400113.7
466Q26.3Very low27.8Very low144 Ų144135.3 Ų135.367%0.67373%0.732SS**  trans-127.9140.9-166.5167.5-176.2-20.100112.9
467K27.6Very low27.8Very low192 Ų192133.9 Ų133.984%0.83573%0.727SS**  trans165.3160.5149-95.7154.9178.4167.50111.4
468D25.8Very low27.6Very low94 Ų94137.5 Ų137.550%0.50373%0.731SS.*  cis-175.8145.5-40.6-112.4-44.9000108.6
469F27Very low27.6Very low184 Ų184138.1 Ų138.181%0.80773%0.727SS**  trans58.5155.5161.3-78.9-118.1000119.1
470R26.8Very low27.2Very low187 Ų187141.6 Ų141.671%0.70673%0.734SS**  cis-164.9163.9-37.4-150-146.6174.4-151.61.9109.3
471Q26.8Very low27.3Very low126 Ų126138.9 Ų138.959%0.58972%0.72SS**  trans80.6124145.2-146.5155.2-33.500120.1
472N24.3Very low27.3Very low134 Ų134140.3 Ų140.372%0.71772%0.722SS**  trans52.8149.5140.5-64.214.3000121.5
473S26.5Very low27.4Very low88 Ų88139.6 Ų139.662%0.61573%0.728SS**  cis-173.6157.9-13.750.30000110.4
474L27.1Very low27.5Very low152 Ų152139.2 Ų139.280%0.79673%0.73SS**  trans58.399152.8-65.7161.1000118.9
475S24.4Very low27.6Very low97 Ų97138.8 Ų138.868%0.67873%0.733SS**  15.9154.8116.166.90000120.4
476P43.5Very low28Very low117 Ų117139.1 Ų139.176%0.7674%0.738SS**  cis-153.9-176.53144.7-24.1000119.4
477A24.4Very low28.3Very low84 Ų84140.6 Ų140.669%0.69474%0.744SS**  trans86.4165.6138.600000123
478F28.5Very low28.1Very low190 Ų190135.8 Ų135.883%0.83374%0.741SS**  trans76.785.7169.7-77-84.6000121.8
479K27.2Very low28.4Very low172 Ų172138.7 Ų138.775%0.74876%0.755SS**  30.1143.8119.6-68-173.3174.4-175.90121.3
480Q27.4Very low28.6Very low177 Ų177138.2 Ų138.283%0.82775%0.753SS**  trans73.6149.9152.4-99.6164.1-63.500115.9
481A27.2Very low28.7Very low74 Ų74135.5 Ų135.561%0.61276%0.757SS**  cis-148.4160.26.200000113.8
482Q27.1Very low29.3Very low181 Ų181136.4 Ų136.485%0.84677%0.765SS**  trans40.1141140.2-68.8-177.5-3.300123.4
483A27.6Very low29.5Very low96 Ų96136.2 Ų136.279%0.79377%0.769SS**  trans72152.7144.900000117.7
484S29.9Very low30.2Very low115 Ų115140.3 Ų140.380%0.80478%0.778SS**  cis-143.7164.51.535.10000112
485N28.6Very low30.2Very low149 Ų149140 Ų14080%0.79778%0.777SS**  trans-65.5153.7169.9-53.3-71.2000112.1
486I34.3Very low31.1Very low168 Ų168142 Ų14286%0.86278%0.78SS**  -167.1159.4118.7-102.4161.3000111.2
487H31.4Very low30.6Very low175 Ų175143 Ų14381%0.8178%0.783SS**  trans-79.6158.3-174.2-52.4-176.8000112.3
488A25.1Very low31.1Very low92 Ų92146.3 Ų146.376%0.7679%0.789SS**  162.1131.2102.600000115.9
489L30.8Very low31.3Very low154 Ų154143.2 Ų143.281%0.80678%0.781SS**  trans62.199.6132.1-161.865.4000121.2
490K31.6Very low31.7Very low175 Ų175140.4 Ų140.476%0.76178%0.783SS**  60.6124.8129.8-177-173.3178.3-173.90119.7
491T29.3Very low32.4Very low130 Ų130138.8 Ų138.880%0.79878%0.775SS**  -163.4157.6115.6-79.40000110.9
492I39.2Very low33.5Very low145 Ų145144.2 Ų144.274%0.74479%0.785SS**  trans-75.2135.1-179.8-63.4155.4000110
493T29.4Very low34.6Very low130 Ų130146.4 Ų146.480%0.79879%0.786SS**  trans-127.2121.5157.2-55.90000107.7
494Q40.7Very low36Very low173 Ų173144.9 Ų144.981%0.80876%0.764SS**  trans-73.9135.2162.1-68.2171.2-35.400107.4
495D27.3Very low38.3Very low147 Ų147143 Ų14379%0.78675%0.747SS**  trans-131132.8160.5-153.6-17000109.5T497D495-T497 PolarHBondContact O-N 2.89Å; D495-T497 VanDerWaalsContact O-N 3.16Å
496L42.3Very low40.8Very low139 Ų139146.1 Ų146.173%0.72875%0.748SS**  trans-87.488.8-173.2-72.388.5000108.4L498L496-L498 PolarHBondContact O-N 3.4Å
497T34.4Very low43.2Very low136 Ų136143.2 Ų143.283%0.83474%0.738SS**  trans-62.1102.3167.5-57.30000108.2D495 N499D495-T497 PolarHBondContact O-N 2.89Å; D495-T497 VanDerWaalsContact O-N 3.16Å; T497-N499 PolarHBondContact O-N 3.45Å
498L33.3Very low45.9Very low154 Ų154139.3 Ų139.381%0.80672%0.72SS**  trans-58.3121.4-176.3-75.9170.2000109.9L496 S500L496-L498 PolarHBondContact O-N 3.4Å; L498-S500 VanDerWaalsContact C-N 3.35Å; L498-S500 PolarHBondContact O-N 3.43Å
499N33.4Very low48.9Very low126 Ų126139.9 Ų139.967%0.67471%0.707SS**  trans-74.886.5-172.6-162.425.5000110.1T497 E501T497-N499 PolarHBondContact O-N 3.45Å; N499-E501 PolarHBondContact ND2-OE1 2.82Å; N499-E501 PolarHBondContact O-N 2.96Å
500S35.1Very low51.6Low113 Ų113137.1 Ų137.179%0.7970%0.697SS**  trans-76.558.1172.153.40000110.9L498 K502L498-S500 VanDerWaalsContact C-N 3.35Å; L498-S500 PolarHBondContact O-N 3.43Å; S500-K502 VanDerWaalsContact C-N 3.26Å; S500-K502 PolarHBondContact O-N 2.81Å
501E42.9Very low54.3Low143 Ų143132.5 Ų132.567%0.66868%0.68SS**  trans-59.592.7165.1-85.6179.9-149.500108.9N499 R503N499-E501 PolarHBondContact ND2-OE1 2.82Å; N499-E501 PolarHBondContact O-N 2.96Å; E501-R503 PolarHBondContact O-N 3.48Å
502K49.2Very low57.1Low188 Ų188130.9 Ų130.982%0.81766%0.663SS**  trans-52.7101.8145.7-83.2-171.4172.6-174.60105.4S500 L504S500-K502 VanDerWaalsContact C-N 3.26Å; S500-K502 PolarHBondContact O-N 2.81Å; K502-L504 HydrophobicContact CB-CD1 4.46Å; K502-L504 WeakPolarHBondContact O-CD1 3.36Å; K502-L504 PolarHBondContact O-N 3.31Å
503R50.8Low59.3Low226 Ų226128.1 Ų128.185%0.85365%0.647SS**  trans-67.482.2-178-174.8178.6-179.7179.80108.4E501 T505E501-R503 PolarHBondContact O-N 3.48Å; R503-T505 PolarHBondContact O-N 3.18Å
504L57.7Low62Low64 Ų64125.6 Ų125.634%0.33563%0.628SS.*  trans-45.5133.8-179.8-97.663.1000109K502 E508 Q509 H512K502-L504 HydrophobicContact CB-CD1 4.46Å; K502-L504 WeakPolarHBondContact O-CD1 3.36Å; K502-L504 PolarHBondContact O-N 3.31Å; L504-E508 HydrophobicContact CB-CB 3.86Å; L504-E508 HydrophobicContact CD2-CB 3.87Å; L504-E508 HydrophobicContact CG-CB 3.67Å; L504-Q509 HydrophobicContact CB-CG 3.64Å; L504-Q509 WeakPolarHBondContact O-CG 3.43Å; L504-Q509 PolarHBondContact O-NE2 3.06Å; L504-H512 HydrophobicContact CD2-CB 4.31Å
505T78Confident64.2Low75 Ų75124.9 Ų124.946%0.4662%0.618SS.*  trans-58.8156.7172.858.90000110.1R503 T507 E508 Q509R503-T505 PolarHBondContact O-N 3.18Å; T505-T507 PolarHBondContact O-N 2.96Å; T505-T507 VanDerWaalsContact O-N 3.09Å; T505-T507 PolarHBondContact OG1-OG1 3.39Å; T505-E508 WeakPolarHBondContact CB-OE2 3.37Å; T505-E508 WeakPolarHBondContact CG2-OE2 3.39Å; T505-E508 PolarHBondContact N-OE2 3.39Å; T505-E508 PolarHBondContact O-N 2.98Å; T505-E508 VanDerWaalsContact OG1-CD 3.32Å; T505-E508 VanDerWaalsContact OG1-CG 3.27Å; T505-E508 WeakPolarHBondContact OG1-CG 3.34Å; T505-E508 PolarHBondContact OG1-OE2 3.24Å; T505-Q509 WeakPolarHBondContact O-CG 3.45Å; T505-Q509 PolarHBondContact O-N 2.84Å
506R81.5Confident66.9Low216 Ų216125.2 Ų125.282%0.81561%0.608SS**Hα-helixtrans-54.1-35.7-176-173177.2178.7-179.1-1.4112.5V510R506-V510 WeakPolarHBondContact O-CG2 3.29Å; R506-V510 PolarHBondContact O-N 3.38Å; R506-V510 VanDerWaalsContact O-N 3.11Å
507T84Confident69Low106 Ų106120.3 Ų120.365%0.6558%0.583SS**Hα-helixtrans-67.9-45.6174.742.90000112.7T505 Q509 V510 L511T505-T507 PolarHBondContact O-N 2.96Å; T505-T507 VanDerWaalsContact O-N 3.09Å; T505-T507 PolarHBondContact OG1-OG1 3.39Å; T507-Q509 VanDerWaalsContact C-N 3.33Å; T507-Q509 PolarHBondContact O-N 3.41Å; T507-V510 PolarHBondContact O-N 3.09Å; T507-L511 WeakPolarHBondContact O-CB 3.41Å; T507-L511 PolarHBondContact O-N 3.07Å
508E87.3Confident71.4Confident93 Ų93117.6 Ų117.644%0.43556%0.561SS.*Hα-helixtrans-63.5-37.4174.6-68.8168.5113.800112.3L504 T505 L511 H512L504-E508 HydrophobicContact CB-CB 3.86Å; L504-E508 HydrophobicContact CD2-CB 3.87Å; L504-E508 HydrophobicContact CG-CB 3.67Å; T505-E508 WeakPolarHBondContact CB-OE2 3.37Å; T505-E508 WeakPolarHBondContact CG2-OE2 3.39Å; T505-E508 PolarHBondContact N-OE2 3.39Å; T505-E508 PolarHBondContact O-N 2.98Å; T505-E508 VanDerWaalsContact OG1-CD 3.32Å; T505-E508 VanDerWaalsContact OG1-CG 3.27Å; T505-E508 WeakPolarHBondContact OG1-CG 3.34Å; T505-E508 PolarHBondContact OG1-OE2 3.24Å; E508-L511 PolarHBondContact O-N 3.02Å; E508-H512 VanDerWaalsContact O-CB 3.24Å; E508-H512 WeakPolarHBondContact O-CB 3.42Å; E508-H512 PolarHBondContact O-N 3.4Å
509Q88.2Confident73.8Confident105 Ų105112.3 Ų112.349%0.49154%0.539SS..Hα-helixtrans-63.5-47175.6-66.9-175.68.800111.4L504 T505 T507 H512 Q513L504-Q509 HydrophobicContact CB-CG 3.64Å; L504-Q509 WeakPolarHBondContact O-CG 3.43Å; L504-Q509 PolarHBondContact O-NE2 3.06Å; T505-Q509 WeakPolarHBondContact O-CG 3.45Å; T505-Q509 PolarHBondContact O-N 2.84Å; T507-Q509 VanDerWaalsContact C-N 3.33Å; T507-Q509 PolarHBondContact O-N 3.41Å; Q509-H512 PolarHBondContact O-N 2.94Å; Q509-Q513 WeakPolarHBondContact O-CB 3.5Å; Q509-Q513 PolarHBondContact O-N 3.08Å
510V88.3Confident76.2Confident96 Ų96108 Ų10858%0.58252%0.524SS*.Hα-helixtrans-61.2-44.1175.1168.80000111.1R506 T507 H512 Q513 L514R506-V510 WeakPolarHBondContact O-CG2 3.29Å; R506-V510 PolarHBondContact O-N 3.38Å; R506-V510 VanDerWaalsContact O-N 3.11Å; T507-V510 PolarHBondContact O-N 3.09Å; V510-H512 PolarHBondContact O-N 3.28Å; V510-Q513 PolarHBondContact O-N 3.26Å; V510-L514 WeakPolarHBondContact O-CB 3.27Å; V510-L514 PolarHBondContact O-N 3.44Å
511L87.8Confident78.6Confident77 Ų77104.3 Ų104.340%0.40350%0.497SS..Hα-helixtrans-67.6-35.6178.7-176.558.8000112.6T507 E508 R515T507-L511 WeakPolarHBondContact O-CB 3.41Å; T507-L511 PolarHBondContact O-N 3.07Å; E508-L511 PolarHBondContact O-N 3.02Å; L511-R515 WeakPolarHBondContact O-CB 3.39Å; L511-R515 WeakPolarHBondContact O-CD 3.32Å; L511-R515 WeakPolarHBondContact O-CG 3.47Å; L511-R515 PolarHBondContact O-N 2.88Å; L511-R515 VanDerWaalsContact O-N 3.08Å
512H87.5Confident80.5Confident96 Ų96103.4 Ų103.444%0.44449%0.493SS..Hα-helixtrans-67.1-40.9172.5176.7-101.8000111.8L504 E508 Q509 V510 R515 R516L504-H512 HydrophobicContact CD2-CB 4.31Å; E508-H512 VanDerWaalsContact O-CB 3.24Å; E508-H512 WeakPolarHBondContact O-CB 3.42Å; E508-H512 PolarHBondContact O-N 3.4Å; Q509-H512 PolarHBondContact O-N 2.94Å; V510-H512 PolarHBondContact O-N 3.28Å; H512-R515 PolarHBondContact O-N 2.96Å; H512-R516 WeakPolarHBondContact O-CG 3.46Å; H512-R516 PolarHBondContact O-N 2.91Å; H512-R516 VanDerWaalsContact O-N 3.08Å
513Q86.1Confident82.1Confident87 Ų87100.1 Ų100.141%0.40748%0.484SS..Hα-helixtrans-64.6-48.2175.5-175.954.335.200111.1Q509 V510 R515 R516 D517Q509-Q513 WeakPolarHBondContact O-CB 3.5Å; Q509-Q513 PolarHBondContact O-N 3.08Å; V510-Q513 PolarHBondContact O-N 3.26Å; Q513-R515 VanDerWaalsContact C-N 3.28Å; Q513-R515 PolarHBondContact O-N 3.08Å; Q513-R516 WeakPolarHBondContact O-CA 3.35Å; Q513-R516 WeakPolarHBondContact O-CB 3.49Å; Q513-R516 PolarHBondContact O-N 3.08Å; Q513-D517 WeakPolarHBondContact CG-OD2 3.32Å; Q513-D517 PolarHBondContact NE2-OD1 3.11Å; Q513-D517 PolarHBondContact NE2-OD2 3.47Å; Q513-D517 PolarHBondContact O-N 3.42Å
514L85.9Confident83.6Confident77 Ų7792.3 Ų92.340%0.40346%0.463SS..Hα-helixtrans-56.8-39.8175.6-175.765.8000112.5V510 D517 H518 V544 F545V510-L514 WeakPolarHBondContact O-CB 3.27Å; V510-L514 PolarHBondContact O-N 3.44Å; L514-D517 PolarHBondContact O-N 2.85Å; L514-H518 WeakPolarHBondContact O-CB 3.39Å; L514-H518 PolarHBondContact O-N 3.28Å; L514-V544 HydrophobicContact CD1-CG1 4.38Å; L514-F545 HydrophobicContact CD1-CE1 4.18Å; L514-F545 HydrophobicContact CD1-CZ 3.71Å
515R86.2Confident84.7Confident158 Ų15893.1 Ų93.160%0.59647%0.467SS*.Hα-helixtrans-63.8-38.8173.5-73.9165.7-178.4162.80.3112.6L511 H512 Q513 A519L511-R515 WeakPolarHBondContact O-CB 3.39Å; L511-R515 WeakPolarHBondContact O-CD 3.32Å; L511-R515 WeakPolarHBondContact O-CG 3.47Å; L511-R515 PolarHBondContact O-N 2.88Å; L511-R515 VanDerWaalsContact O-N 3.08Å; H512-R515 PolarHBondContact O-N 2.96Å; Q513-R515 VanDerWaalsContact C-N 3.28Å; Q513-R515 PolarHBondContact O-N 3.08Å; R515-A519 WeakPolarHBondContact O-CB 3.36Å; R515-A519 PolarHBondContact O-N 2.9Å; R515-A519 VanDerWaalsContact O-N 3.08Å
516R85Confident84.9Confident154 Ų154100.7 Ų100.758%0.58149%0.487SS*.Hα-helixtrans-67.3-43.8175.4-75.1177.453.275.58.2111.7H512 Q513 A519 G520H512-R516 WeakPolarHBondContact O-CG 3.46Å; H512-R516 PolarHBondContact O-N 2.91Å; H512-R516 VanDerWaalsContact O-N 3.08Å; Q513-R516 WeakPolarHBondContact O-CA 3.35Å; Q513-R516 WeakPolarHBondContact O-CB 3.49Å; Q513-R516 PolarHBondContact O-N 3.08Å; R516-A519 PolarHBondContact O-N 3.49Å; R516-G520 PolarHBondContact O-N 3.36Å
517D86.1Confident85.2Confident36 Ų3699.7 Ų99.719%0.19348%0.484CS..Hα-helixtrans-67-43.8-179.1-66.4-29.4000110.8Q513 L514 A519 G520 V521 P541 F545Q513-D517 WeakPolarHBondContact CG-OD2 3.32Å; Q513-D517 PolarHBondContact NE2-OD1 3.11Å; Q513-D517 PolarHBondContact NE2-OD2 3.47Å; Q513-D517 PolarHBondContact O-N 3.42Å; L514-D517 PolarHBondContact O-N 2.85Å; D517-A519 PolarHBondContact O-N 3.42Å; D517-G520 PolarHBondContact O-N 3.38Å; D517-G520 VanDerWaalsContact O-N 3.14Å; D517-V521 PolarHBondContact O-N 3.16Å; D517-P541 HydrophobicContact CB-CB 3.98Å; D517-P541 HydrophobicContact CB-CG 4.15Å; D517-F545 HydrophobicContact CB-CE2 4.21Å
518H85.4Confident85.4Confident80 Ų80104 Ų10437%0.3749%0.493SS..Hα-helixtrans-56.1-46.4170.7-177.7-108.8000112.1L514 G520 V521 Q522 F545L514-H518 WeakPolarHBondContact O-CB 3.39Å; L514-H518 PolarHBondContact O-N 3.28Å; H518-G520 VanDerWaalsContact C-N 3.31Å; H518-G520 PolarHBondContact O-N 2.83Å; H518-V521 PolarHBondContact O-N 2.9Å; H518-Q522 VanDerWaalsContact CE1-CD 3.47Å; H518-Q522 PolarHBondContact CE1-NE2 3.48Å; H518-Q522 PolarHBondContact NE2-NE2 3.34Å; H518-Q522 WeakPolarHBondContact O-CG 3.14Å; H518-Q522 PolarHBondContact O-N 2.85Å; H518-F545 HydrophobicContact CB-CE1 4.25Å; H518-F545 HydrophobicContact CB-CE2 4.22Å; H518-F545 HydrophobicContact CB-CZ 3.63Å; H518-F545 AromaticContact CD2-CE1 3.9Å
519A84.3Confident85.6Confident43 Ų43104.7 Ų104.736%0.35550%0.495SS..Hα-helixtrans-64-34.317700000112.9R515 R516 D517 N523R515-A519 WeakPolarHBondContact O-CB 3.36Å; R515-A519 PolarHBondContact O-N 2.9Å; R515-A519 VanDerWaalsContact O-N 3.08Å; R516-A519 PolarHBondContact O-N 3.49Å; D517-A519 PolarHBondContact O-N 3.42Å; A519-N523 WeakPolarHBondContact O-CB 3.32Å; A519-N523 PolarHBondContact O-N 3.07Å; A519-N523 PolarHBondContact O-ND2 3.16Å
520G83.9Confident85.7Confident35 Ų35105.4 Ų105.436%0.36151%0.507SS..Hα-helixtrans-73.1-27.6175.200000114.5R516 D517 H518 Y542R516-G520 PolarHBondContact O-N 3.36Å; D517-G520 PolarHBondContact O-N 3.38Å; D517-G520 VanDerWaalsContact O-N 3.14Å; H518-G520 VanDerWaalsContact C-N 3.31Å; H518-G520 PolarHBondContact O-N 2.83Å; G520-Y542 PolarHBondContact O-OH 3.24Å; G520-Y542 VanDerWaalsContact O-OH 3.08Å
521V84.3Confident85.9Confident35 Ų35104 Ų10421%0.21250%0.502CS..Hα-helixtrans-76.9-41.2170.5171.80000111.6D517 H518 N523 P541 Y542 F545D517-V521 PolarHBondContact O-N 3.16Å; H518-V521 PolarHBondContact O-N 2.9Å; V521-N523 VanDerWaalsContact C-N 3.3Å; V521-N523 PolarHBondContact O-N 2.98Å; V521-P541 HydrophobicContact CG2-CB 3.58Å; V521-Y542 WeakPolarHBondContact CA-OH 3.32Å; V521-Y542 HydrophobicContact CB-CE1 4.25Å; V521-Y542 HydrophobicContact CG1-CD1 4.07Å; V521-Y542 HydrophobicContact CG1-CE1 3.88Å; V521-Y542 HydrophobicContact CG2-CD1 4.1Å; V521-Y542 HydrophobicContact CG2-CD2 3.95Å; V521-Y542 HydrophobicContact CG2-CE1 4.13Å; V521-Y542 HydrophobicContact CG2-CE2 3.93Å; V521-Y542 HydrophobicContact CG2-CG 4.01Å; V521-Y542 PolarHBondContact O-OH 3.09Å; V521-F545 HydrophobicContact CB-CD2 4.3Å; V521-F545 HydrophobicContact CG2-CD2 3.81Å; V521-F545 HydrophobicContact CG2-CE2 4.3Å
522Q83Confident86.1Confident125 Ų125105.8 Ų105.858%0.58452%0.515SS*.Hα-helixtrans-67-29.1175-72-169.5-21.100113.3H518 P524H518-Q522 VanDerWaalsContact CE1-CD 3.47Å; H518-Q522 PolarHBondContact CE1-NE2 3.48Å; H518-Q522 PolarHBondContact NE2-NE2 3.34Å; H518-Q522 WeakPolarHBondContact O-CG 3.14Å; H518-Q522 PolarHBondContact O-N 2.85Å; Q522-P524 VanDerWaalsContact C-CD 3.45Å; Q522-P524 VanDerWaalsContact O-CD 3.32Å; Q522-P524 WeakPolarHBondContact O-CD 3.25Å
523N82.4Confident86.3Confident118 Ų118106.1 Ų106.163%0.63152%0.517SS*.SBendtrans-121.969.9-176.4-62.4-89.5000111.8A519 V521 N525A519-N523 WeakPolarHBondContact O-CB 3.32Å; A519-N523 PolarHBondContact O-N 3.07Å; A519-N523 PolarHBondContact O-ND2 3.16Å; V521-N523 VanDerWaalsContact C-N 3.3Å; V521-N523 PolarHBondContact O-N 2.98Å; N523-N525 PolarHBondContact O-N 2.89Å; N523-N525 VanDerWaalsContact O-N 3.12Å
524P83.1Confident86.4Confident63 Ų63103.3 Ų103.341%0.40951%0.505SS..  trans-58.7114.7-176.920.7-32.6000112.6Q522 R526 Y542Q522-P524 VanDerWaalsContact C-CD 3.45Å; Q522-P524 VanDerWaalsContact O-CD 3.32Å; Q522-P524 WeakPolarHBondContact O-CD 3.25Å; P524-R526 WeakPolarHBondContact O-CG 3.28Å; P524-R526 PolarHBondContact O-N 2.87Å; P524-Y542 WeakPolarHBondContact CB-OH 3.33Å
525N79.7Confident86.5Confident81 Ų81100.7 Ų100.743%0.43349%0.494SS..  trans-73.388173.2-177.90.7000110.8N523 R527 R538N523-N525 PolarHBondContact O-N 2.89Å; N523-N525 VanDerWaalsContact O-N 3.12Å; N525-R527 PolarHBondContact O-N 3.32Å; N525-R527 WeakPolarHBondContact OD1-CB 3.43Å; N525-R527 WeakPolarHBondContact OD1-CD 3.21Å; N525-R527 VanDerWaalsContact OD1-CG 3.27Å; N525-R527 WeakPolarHBondContact OD1-CG 3.39Å; N525-R527 PolarHBondContact OD1-N 3.46Å; N525-R538 PolarHBondContact O-NH1 2.79Å
526R82.7Confident86.6Confident233 Ų23397.9 Ų97.988%0.87949%0.491SS*.  trans-65.49.6-177.7-57.1-175.1-176.7-177.1-0.3115.6P524P524-R526 WeakPolarHBondContact O-CG 3.28Å; P524-R526 PolarHBondContact O-N 2.87Å
527R87.4Confident86.7Confident196 Ų19696.5 Ų96.574%0.7449%0.491SS*.SBendtrans-74.9142.1173.2-64.7176.9-175-171.32.8109.9N525 R538N525-R527 PolarHBondContact O-N 3.32Å; N525-R527 WeakPolarHBondContact OD1-CB 3.43Å; N525-R527 WeakPolarHBondContact OD1-CD 3.21Å; N525-R527 VanDerWaalsContact OD1-CG 3.27Å; N525-R527 WeakPolarHBondContact OD1-CG 3.39Å; N525-R527 PolarHBondContact OD1-N 3.46Å; R527-R538 PolarHBondContact O-NH1 3.37Å
528K88.2Confident86.6Confident195 Ų19597.2 Ų97.285%0.84849%0.491SS*.PPolyproline II helixtrans-48.8142.4171.7-61.6-176.4-179.9-176.40110.8
529F92.5Very high86.7Confident108 Ų10897.3 Ų97.347%0.47449%0.493SS..PPolyproline II helixtrans-63.2139.3176.6-53.9-65.4000110.9D534 A535 R538 L539F529-D534 VanDerWaalsContact CA-OD2 3.25Å; F529-D534 WeakPolarHBondContact CA-OD2 3.39Å; F529-A535 HydrophobicContact CB-CB 4.2Å; F529-A535 HydrophobicContact CD1-CB 3.81Å; F529-A535 HydrophobicContact CD2-CB 4.1Å; F529-A535 HydrophobicContact CE1-CB 4.18Å; F529-A535 HydrophobicContact CE2-CB 4.45Å; F529-A535 HydrophobicContact CG-CB 3.77Å; F529-A535 HydrophobicContact CZ-CB 4.49Å; F529-R538 HydrophobicContact CE1-CB 4.2Å; F529-L539 HydrophobicContact CE1-CG 4.39Å; F529-L539 HydrophobicContact CE2-CD1 4.43Å; F529-L539 HydrophobicContact CZ-CD1 3.92Å; F529-L539 HydrophobicContact CZ-CD2 4.19Å; F529-L539 HydrophobicContact CZ-CG 4.07Å
530T89.6Confident86.8Confident121 Ų121100.8 Ų100.874%0.74251%0.505SS*.SBendtrans-99.7-13.5179.656.40000113.4D534T530-D534 PolarHBondContact N-OD2 3Å; T530-D534 PolarHBondContact OG1-OD2 2.72Å
531S93.5Very high86.9Confident67 Ų6799.5 Ų99.547%0.46949%0.491SS..SBendtrans-157.2164.8179.1-179.20000109.7E533 D534 A535S531-E533 VanDerWaalsContact C-N 3.27Å; S531-E533 PolarHBondContact OG-N 2.89Å; S531-D534 PolarHBondContact O-N 2.87Å; S531-A535 PolarHBondContact O-N 2.74Å; S531-A535 VanDerWaalsContact O-N 3.09Å
532V92.6Very high86.9Confident114 Ų114102 Ų10269%0.69150%0.497SS*.Hα-helixtrans-61.8-40.1168179.80000110.2D534 A535 L536V532-D534 VanDerWaalsContact C-N 3.32Å; V532-D534 PolarHBondContact O-N 3.49Å; V532-A535 WeakPolarHBondContact O-CB 3.5Å; V532-A535 PolarHBondContact O-N 3.22Å; V532-A535 VanDerWaalsContact O-N 3.09Å; V532-L536 HydrophobicContact CG1-CD1 4.3Å; V532-L536 HydrophobicContact CG1-CG 4.49Å; V532-L536 WeakPolarHBondContact O-CG 3.41Å; V532-L536 PolarHBondContact O-N 2.99Å
533E90.4Very high86.8Confident102 Ų102102 Ų10248%0.47750%0.497SS..Hα-helixtrans-61-40.5175.6-175.659.5-157.200112S531 A535 L536 Q537S531-E533 VanDerWaalsContact C-N 3.27Å; S531-E533 PolarHBondContact OG-N 2.89Å; E533-A535 VanDerWaalsContact C-N 3.28Å; E533-A535 PolarHBondContact O-N 2.95Å; E533-L536 PolarHBondContact O-N 2.88Å; E533-Q537 HydrophobicContact CG-CG 4.46Å; E533-Q537 WeakPolarHBondContact O-CB 3.37Å; E533-Q537 WeakPolarHBondContact O-CG 3.45Å; E533-Q537 PolarHBondContact O-N 3.33Å; E533-Q537 WeakPolarHBondContact OE1-CG 3.42Å; E533-Q537 PolarHBondContact OE1-NE2 2.59Å
534D88.5Confident86.3Confident29 Ų29100.7 Ų100.716%0.15549%0.493CS..Hα-helixtrans-70.3-23.2176.3176.966.8000112.6F529 T530 S531 V532 R538F529-D534 VanDerWaalsContact CA-OD2 3.25Å; F529-D534 WeakPolarHBondContact CA-OD2 3.39Å; T530-D534 PolarHBondContact N-OD2 3Å; T530-D534 PolarHBondContact OG1-OD2 2.72Å; S531-D534 PolarHBondContact O-N 2.87Å; V532-D534 VanDerWaalsContact C-N 3.32Å; V532-D534 PolarHBondContact O-N 3.49Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CD 3.36Å; D534-R538 WeakPolarHBondContact O-CG 3.49Å; D534-R538 IonicContact OD1-CZ 3.24Å; D534-R538 IonicContact OD1-NE 3.53Å; D534-R538 PolarHBondContact OD1-NE 3.25Å; D534-R538 IonicContact OD1-NH2 2.59Å; D534-R538 PolarHBondContact OD1-NH2 3.04Å; D534-R538 IonicContact OD2-CZ 3.97Å; D534-R538 VanDerWaalsContact OD2-CZ 3.24Å; D534-R538 IonicContact OD2-NE 3.52Å; D534-R538 IonicContact OD2-NH1 4Å; D534-R538 IonicContact OD2-NH2 3.97Å; D534-R538 PolarHBondContact OD2-NH2 2.99Å
535A88.4Confident85.7Confident21 Ų21101.2 Ų101.217%0.17449%0.489CS..Hα-helixtrans-76.1-46.9167.900000111.3F529 S531 V532 E533 R538 L539F529-A535 HydrophobicContact CB-CB 4.2Å; F529-A535 HydrophobicContact CD1-CB 3.81Å; F529-A535 HydrophobicContact CD2-CB 4.1Å; F529-A535 HydrophobicContact CE1-CB 4.18Å; F529-A535 HydrophobicContact CE2-CB 4.45Å; F529-A535 HydrophobicContact CG-CB 3.77Å; F529-A535 HydrophobicContact CZ-CB 4.49Å; S531-A535 PolarHBondContact O-N 2.74Å; S531-A535 VanDerWaalsContact O-N 3.09Å; V532-A535 WeakPolarHBondContact O-CB 3.5Å; V532-A535 PolarHBondContact O-N 3.22Å; V532-A535 VanDerWaalsContact O-N 3.09Å; E533-A535 VanDerWaalsContact C-N 3.28Å; E533-A535 PolarHBondContact O-N 2.95Å; A535-R538 PolarHBondContact O-N 3.27Å; A535-L539 HydrophobicContact CB-CD1 4.38Å; A535-L539 VanDerWaalsContact O-CB 3.26Å; A535-L539 WeakPolarHBondContact O-CB 3.24Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.47Å; A535-L539 PolarHBondContact O-N 3.36Å
536L87.8Confident85Confident100 Ų100104.9 Ų104.952%0.52450%0.503SS..Hα-helixtrans-60-52.3178.9-68.9173.6000111.7V532 E533 R538 L539 L540V532-L536 HydrophobicContact CG1-CD1 4.3Å; V532-L536 HydrophobicContact CG1-CG 4.49Å; V532-L536 WeakPolarHBondContact O-CG 3.41Å; V532-L536 PolarHBondContact O-N 2.99Å; E533-L536 PolarHBondContact O-N 2.88Å; L536-R538 PolarHBondContact O-N 2.65Å; L536-R538 VanDerWaalsContact O-N 3.16Å; L536-L539 PolarHBondContact O-N 2.75Å; L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 2.87Å
537Q86.1Confident84.3Confident125 Ų12596.8 Ų96.858%0.58449%0.492SS*.Hα-helixtrans-60.6-26.5179.7-70-177.111.600113.5E533 P541E533-Q537 HydrophobicContact CG-CG 4.46Å; E533-Q537 WeakPolarHBondContact O-CB 3.37Å; E533-Q537 WeakPolarHBondContact O-CG 3.45Å; E533-Q537 PolarHBondContact O-N 3.33Å; E533-Q537 WeakPolarHBondContact OE1-CG 3.42Å; E533-Q537 PolarHBondContact OE1-NE2 2.59Å; Q537-P541 WeakPolarHBondContact O-CD 3.22Å
538R86Confident83.5Confident51 Ų5191.9 Ų91.919%0.19249%0.494CS..Hα-helixtrans-91.9-27.6178.1-67.4-177.7-161.9-17915.3113.8N525 R527 F529 D534 A535 L536 Y542N525-R538 PolarHBondContact O-NH1 2.79Å; R527-R538 PolarHBondContact O-NH1 3.37Å; F529-R538 HydrophobicContact CE1-CB 4.2Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CD 3.36Å; D534-R538 WeakPolarHBondContact O-CG 3.49Å; D534-R538 IonicContact OD1-CZ 3.24Å; D534-R538 IonicContact OD1-NE 3.53Å; D534-R538 PolarHBondContact OD1-NE 3.25Å; D534-R538 IonicContact OD1-NH2 2.59Å; D534-R538 PolarHBondContact OD1-NH2 3.04Å; D534-R538 IonicContact OD2-CZ 3.97Å; D534-R538 VanDerWaalsContact OD2-CZ 3.24Å; D534-R538 IonicContact OD2-NE 3.52Å; D534-R538 IonicContact OD2-NH1 4Å; D534-R538 IonicContact OD2-NH2 3.97Å; D534-R538 PolarHBondContact OD2-NH2 2.99Å; A535-R538 PolarHBondContact O-N 3.27Å; L536-R538 PolarHBondContact O-N 2.65Å; L536-R538 VanDerWaalsContact O-N 3.16Å; R538-Y542 WeakPolarHBondContact O-CD2 3.34Å; R538-Y542 WeakPolarHBondContact O-CE2 3.48Å
539L86.9Confident82.8Confident82 Ų8287.8 Ų87.843%0.42949%0.487SS..Hα-helixtrans-98.1-28.4-175.6-66.3172.6000113.3F529 A535 L536 Y542 H543F529-L539 HydrophobicContact CE1-CG 4.39Å; F529-L539 HydrophobicContact CE2-CD1 4.43Å; F529-L539 HydrophobicContact CZ-CD1 3.92Å; F529-L539 HydrophobicContact CZ-CD2 4.19Å; F529-L539 HydrophobicContact CZ-CG 4.07Å; A535-L539 HydrophobicContact CB-CD1 4.38Å; A535-L539 VanDerWaalsContact O-CB 3.26Å; A535-L539 WeakPolarHBondContact O-CB 3.24Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.47Å; A535-L539 PolarHBondContact O-N 3.36Å; L536-L539 PolarHBondContact O-N 2.75Å; L539-Y542 PolarHBondContact O-N 2.74Å; L539-H543 PolarHBondContact O-ND1 3.22Å
540L85.7Confident82.4Confident116 Ų11686 Ų8661%0.60749%0.487SS*.Hα-helixtrans-57.5-42.1177.5-174.667.1000113L536 Y542 H543L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 2.87Å; L540-Y542 PolarHBondContact O-N 3.04Å; L540-H543 WeakPolarHBondContact O-CB 3.43Å; L540-H543 PolarHBondContact O-N 3.03Å
541P87.1Confident82.1Confident8 Ų882.7 Ų82.75%0.05247%0.468CS..Hα-helixtrans-53.5-37.3175.3-31.839.6000114.4D517 V521 Q537 H543 V544 F545D517-P541 HydrophobicContact CB-CB 3.98Å; D517-P541 HydrophobicContact CB-CG 4.15Å; V521-P541 HydrophobicContact CG2-CB 3.58Å; Q537-P541 WeakPolarHBondContact O-CD 3.22Å; P541-H543 PolarHBondContact O-N 3.44Å; P541-V544 PolarHBondContact O-N 3.05Å; P541-F545 VanDerWaalsContact O-CD2 3.29Å; P541-F545 WeakPolarHBondContact O-CD2 3.22Å; P541-F545 PolarHBondContact O-N 2.87Å
542Y83.7Confident81.9Confident88 Ų8885.6 Ų85.635%0.34547%0.474SS..Hα-helixtrans-68.1-18.6-177.9-67.4-98.1000113.4G520 V521 P524 R538 L539 L540G520-Y542 PolarHBondContact O-OH 3.24Å; G520-Y542 VanDerWaalsContact O-OH 3.08Å; V521-Y542 WeakPolarHBondContact CA-OH 3.32Å; V521-Y542 HydrophobicContact CB-CE1 4.25Å; V521-Y542 HydrophobicContact CG1-CD1 4.07Å; V521-Y542 HydrophobicContact CG1-CE1 3.88Å; V521-Y542 HydrophobicContact CG2-CD1 4.1Å; V521-Y542 HydrophobicContact CG2-CD2 3.95Å; V521-Y542 HydrophobicContact CG2-CE1 4.13Å; V521-Y542 HydrophobicContact CG2-CE2 3.93Å; V521-Y542 HydrophobicContact CG2-CG 4.01Å; V521-Y542 PolarHBondContact O-OH 3.09Å; P524-Y542 WeakPolarHBondContact CB-OH 3.33Å; R538-Y542 WeakPolarHBondContact O-CD2 3.34Å; R538-Y542 WeakPolarHBondContact O-CE2 3.48Å; L539-Y542 PolarHBondContact O-N 2.74Å; L540-Y542 PolarHBondContact O-N 3.04Å
543H79.8Confident81.9Confident124 Ų12486 Ų8657%0.57447%0.472SS*.Hα-helixtrans-80.7-27.1173.4-61.772.8000111.8L539 L540 P541 Q546L539-H543 PolarHBondContact O-ND1 3.22Å; L540-H543 WeakPolarHBondContact O-CB 3.43Å; L540-H543 PolarHBondContact O-N 3.03Å; P541-H543 PolarHBondContact O-N 3.44Å; H543-Q546 WeakPolarHBondContact O-CB 3.49Å
544V72.9Confident81.8Confident91 Ų9185.6 Ų85.655%0.55247%0.47SS*.Hα-helixtrans-76.1-31.2179.1-1770000111.6L514 P541 Q546L514-V544 HydrophobicContact CD1-CG1 4.38Å; P541-V544 PolarHBondContact O-N 3.05Å; V544-Q546 VanDerWaalsContact C-N 3.35Å
545F69.9Low82Confident74 Ų7488.8 Ų88.833%0.32548%0.483SS..THydrogen-bonded Turntrans-98.225.8174.5-57.5-79.6000112.5L514 D517 H518 V521 P541 G547L514-F545 HydrophobicContact CD1-CE1 4.18Å; L514-F545 HydrophobicContact CD1-CZ 3.71Å; D517-F545 HydrophobicContact CB-CE2 4.21Å; H518-F545 HydrophobicContact CB-CE1 4.25Å; H518-F545 HydrophobicContact CB-CE2 4.22Å; H518-F545 HydrophobicContact CB-CZ 3.63Å; H518-F545 AromaticContact CD2-CE1 3.9Å; V521-F545 HydrophobicContact CB-CD2 4.3Å; V521-F545 HydrophobicContact CG2-CD2 3.81Å; V521-F545 HydrophobicContact CG2-CE2 4.3Å; P541-F545 VanDerWaalsContact O-CD2 3.29Å; P541-F545 WeakPolarHBondContact O-CD2 3.22Å; P541-F545 PolarHBondContact O-N 2.87Å; F545-G547 PolarHBondContact O-N 3.06Å; F545-G547 VanDerWaalsContact O-N 3.12Å
546Q66Low82.3Confident157 Ų15789.9 Ų89.973%0.73449%0.489SS*.  trans-8092.3177.5-173172.3-0.700110.9H543 V544H543-Q546 WeakPolarHBondContact O-CB 3.49Å; V544-Q546 VanDerWaalsContact C-N 3.35Å
547G67.8Low82.7Confident63 Ų6390.3 Ų90.365%0.64949%0.488SS*.SBendtrans-153.8159.4166.900000109.7F545F545-G547 PolarHBondContact O-N 3.06Å; F545-G547 VanDerWaalsContact O-N 3.12Å
548A71.1Confident83.2Confident93 Ų9388.6 Ų88.677%0.76949%0.486SS*.PPolyproline II helixtrans-65141.5160.700000108.2
549P73.5Confident83.7Confident110 Ų11091.1 Ų91.171%0.71450%0.504SS*.PPolyproline II helixtrans-61144161.429.5-33.1000108.2C551P549-C551 PolarHBondContact O-N 3.27Å
550P82.2Confident84.2Confident71 Ų7192.3 Ų92.346%0.46151%0.511SS..PPolyproline II helixtrans-50131.1174.2-27.835.5000110.2E554 F555P550-E554 WeakPolarHBondContact CA-OE2 3.37Å; P550-E554 HydrophobicContact CB-CB 4.49Å; P550-E554 WeakPolarHBondContact CB-OE2 3.46Å; P550-F555 HydrophobicContact CB-CD2 4.45Å; P550-F555 HydrophobicContact CB-CE2 3.79Å; P550-F555 HydrophobicContact CB-CZ 3.89Å; P550-F555 HydrophobicContact CG-CZ 4.33Å; P550-F555 WeakPolarHBondContact O-CE2 3.17Å
551C84.3Confident84.8Confident51 Ų5191.9 Ų91.935%0.34551%0.505SS..PPolyproline II helixtrans-71.8164-176.371.90000111.3P549 D553 E554 F555P549-C551 PolarHBondContact O-N 3.27Å; C551-D553 PolarHBondContact O-N 3.43Å; C551-E554 PolarHBondContact N-OE1 3.16Å; C551-E554 PolarHBondContact O-N 2.96Å; C551-E554 PolarHBondContact SG-N 2.98Å; C551-E554 VanDerWaalsContact SG-N 3.36Å; C551-E554 PolarHBondContact SG-OE1 3.39Å; C551-F555 VanDerWaalsContact O-CD2 3.29Å; C551-F555 WeakPolarHBondContact O-CD2 3.27Å; C551-F555 PolarHBondContact O-N 3.41Å
552Q90.2Very high85.3Confident128 Ų12898.2 Ų98.260%0.59853%0.532SS*.Hα-helixtrans-61-29.1177.6-177.45664.400111.4F555 S556Q552-F555 PolarHBondContact O-N 2.9Å; Q552-S556 PolarHBondContact O-N 2.87Å; Q552-S556 PolarHBondContact O-OG 3.19Å
553D91.1Very high86Confident121 Ų12199.4 Ų99.465%0.64754%0.541SS*.Hα-helixtrans-72.7-36.3-179.4-44.5-50.6000111.4C551 S556 Q557C551-D553 PolarHBondContact O-N 3.43Å; D553-S556 PolarHBondContact O-N 2.93Å; D553-Q557 WeakPolarHBondContact O-CB 3.27Å; D553-Q557 PolarHBondContact O-N 3.46Å
554E89.3Confident86.9Confident95 Ų9599.4 Ų99.444%0.44455%0.545SS..Hα-helixtrans-62.2-40.7169.8-74.9159.9-111.500112P550 C551 V558P550-E554 WeakPolarHBondContact CA-OE2 3.37Å; P550-E554 HydrophobicContact CB-CB 4.49Å; P550-E554 WeakPolarHBondContact CB-OE2 3.46Å; C551-E554 PolarHBondContact N-OE1 3.16Å; C551-E554 PolarHBondContact O-N 2.96Å; C551-E554 PolarHBondContact SG-N 2.98Å; C551-E554 VanDerWaalsContact SG-N 3.36Å; C551-E554 PolarHBondContact SG-OE1 3.39Å; E554-V558 WeakPolarHBondContact O-CG2 3.28Å; E554-V558 PolarHBondContact O-N 3.19Å; E554-V558 VanDerWaalsContact O-N 3.15Å
555F92.1Very high88.1Confident95 Ų9599.4 Ų99.442%0.41755%0.545SS..Hα-helixtrans-66.7-44.7175.3-74.9-65.4000111.7P550 C551 Q552 Q557 V558 D559P550-F555 HydrophobicContact CB-CD2 4.45Å; P550-F555 HydrophobicContact CB-CE2 3.79Å; P550-F555 HydrophobicContact CB-CZ 3.89Å; P550-F555 HydrophobicContact CG-CZ 4.33Å; P550-F555 WeakPolarHBondContact O-CE2 3.17Å; C551-F555 VanDerWaalsContact O-CD2 3.29Å; C551-F555 WeakPolarHBondContact O-CD2 3.27Å; C551-F555 PolarHBondContact O-N 3.41Å; Q552-F555 PolarHBondContact O-N 2.9Å; F555-Q557 VanDerWaalsContact C-N 3.34Å; F555-Q557 PolarHBondContact O-N 2.87Å; F555-V558 PolarHBondContact O-N 2.65Å; F555-D559 PolarHBondContact O-N 2.87Å
556S95.1Very high89.5Confident44 Ų4497.3 Ų97.331%0.30854%0.541SS..Hα-helixtrans-59.8-44.3176.5-53.90000111.3Q552 D553 V558 D559 D560Q552-S556 PolarHBondContact O-N 2.87Å; Q552-S556 PolarHBondContact O-OG 3.19Å; D553-S556 PolarHBondContact O-N 2.93Å; S556-V558 VanDerWaalsContact C-N 3.34Å; S556-V558 PolarHBondContact O-N 3.26Å; S556-D559 PolarHBondContact O-N 2.96Å; S556-D560 WeakPolarHBondContact O-CB 3.41Å; S556-D560 VanDerWaalsContact O-CG 3.24Å; S556-D560 PolarHBondContact O-N 2.94Å
557Q95.7Very high91Very high109 Ų10993 Ų9351%0.50953%0.526SS..Hα-helixtrans-58.6-43.5175.9-178.6-175.5-18.900112.1D553 F555 D560 E561D553-Q557 WeakPolarHBondContact O-CB 3.27Å; D553-Q557 PolarHBondContact O-N 3.46Å; F555-Q557 VanDerWaalsContact C-N 3.34Å; F555-Q557 PolarHBondContact O-N 2.87Å; Q557-D560 PolarHBondContact O-N 2.96Å; Q557-E561 HydrophobicContact CG-CG 4.45Å; Q557-E561 WeakPolarHBondContact CG-OE1 3.49Å; Q557-E561 PolarHBondContact NE2-OE1 3.33Å; Q557-E561 WeakPolarHBondContact O-CB 3.4Å; Q557-E561 WeakPolarHBondContact O-CG 3.43Å; Q557-E561 PolarHBondContact O-N 3.02Å
558V96.7Very high92.5Very high89 Ų8996.3 Ų96.354%0.53953%0.525SS..Hα-helixtrans-69.2-34.7178.9170.80000112.1E554 F555 S556 F562E554-V558 WeakPolarHBondContact O-CG2 3.28Å; E554-V558 PolarHBondContact O-N 3.19Å; E554-V558 VanDerWaalsContact O-N 3.15Å; F555-V558 PolarHBondContact O-N 2.65Å; S556-V558 VanDerWaalsContact C-N 3.34Å; S556-V558 PolarHBondContact O-N 3.26Å; V558-F562 VanDerWaalsContact O-CB 3.28Å; V558-F562 WeakPolarHBondContact O-CB 3.28Å; V558-F562 PolarHBondContact O-N 3.24Å
559D96.7Very high93.8Very high105 Ų10595.8 Ų95.856%0.56151%0.512SS*.Hα-helixtrans-70.1-39.2174.2-72.3-23.2000111.3F555 S556 F562 E563F555-D559 PolarHBondContact O-N 2.87Å; S556-D559 PolarHBondContact O-N 2.96Å; D559-F562 PolarHBondContact O-N 2.91Å; D559-E563 PolarHBondContact O-N 2.89Å
560D97.5Very high95Very high107 Ų10795.3 Ų95.357%0.57251%0.506SS*.Hα-helixtrans-65.7-48.5174.7-70.5-30.4000111.5S556 Q557 F562 E563 D564S556-D560 WeakPolarHBondContact O-CB 3.41Å; S556-D560 VanDerWaalsContact O-CG 3.24Å; S556-D560 PolarHBondContact O-N 2.94Å; Q557-D560 PolarHBondContact O-N 2.96Å; D560-F562 PolarHBondContact O-N 3.18Å; D560-E563 PolarHBondContact O-N 3.34Å; D560-D564 PolarHBondContact O-N 3.26Å
561E97.6Very high95.7Very high106 Ų10695.6 Ų95.650%0.49551%0.507SS..Hα-helixtrans-58.7-35.8174.5-77.4177.8-158.900111.9Q557 V565Q557-E561 HydrophobicContact CG-CG 4.45Å; Q557-E561 WeakPolarHBondContact CG-OE1 3.49Å; Q557-E561 PolarHBondContact NE2-OE1 3.33Å; Q557-E561 WeakPolarHBondContact O-CB 3.4Å; Q557-E561 WeakPolarHBondContact O-CG 3.43Å; Q557-E561 PolarHBondContact O-N 3.02Å; E561-V565 VanDerWaalsContact O-CG2 3.32Å; E561-V565 WeakPolarHBondContact O-CG2 3.23Å; E561-V565 PolarHBondContact O-N 3.05Å
562F98.4Very high96.4Very high141 Ų141100.1 Ų100.162%0.61852%0.521SS*.Hα-helixtrans-69.3-44.7175175.8-93.1000112.2V558 D559 D560 V565 A566V558-F562 VanDerWaalsContact O-CB 3.28Å; V558-F562 WeakPolarHBondContact O-CB 3.28Å; V558-F562 PolarHBondContact O-N 3.24Å; D559-F562 PolarHBondContact O-N 2.91Å; D560-F562 PolarHBondContact O-N 3.18Å; F562-V565 PolarHBondContact O-N 3.2Å; F562-A566 HydrophobicContact CE1-CB 4.41Å; F562-A566 VanDerWaalsContact O-CB 3.25Å; F562-A566 WeakPolarHBondContact O-CB 3.44Å; F562-A566 PolarHBondContact O-N 2.78Å
563E98.4Very high96.8Very high114 Ų11497.8 Ų97.853%0.53352%0.515SS..Hα-helixtrans-67-37.2-179.6-171.565.3-169.500111.8D559 D560 A566 T567D559-E563 PolarHBondContact O-N 2.89Å; D560-E563 PolarHBondContact O-N 3.34Å; E563-A566 PolarHBondContact O-N 2.88Å; E563-T567 WeakPolarHBondContact O-CB 3.28Å; E563-T567 PolarHBondContact O-N 3.19Å; E563-T567 PolarHBondContact O-OG1 3.16Å
564D98.3Very high97.2Very high123 Ų12396.5 Ų96.566%0.65851%0.506SS*.Hα-helixtrans-61.2-48.9172.8-99.5-9.8000111.6D560 T567 Q568D560-D564 PolarHBondContact O-N 3.26Å; D564-T567 PolarHBondContact O-N 3.32Å; D564-Q568 WeakPolarHBondContact O-CB 3.39Å; D564-Q568 PolarHBondContact O-N 3.04Å
565V98.4Very high97.6Very high92 Ų9295.2 Ų95.256%0.55851%0.505SS*.Hα-helixtrans-65.8-41.9178.2171.40000111.2E561 F562 Q568 V569E561-V565 VanDerWaalsContact O-CG2 3.32Å; E561-V565 WeakPolarHBondContact O-CG2 3.23Å; E561-V565 PolarHBondContact O-N 3.05Å; F562-V565 PolarHBondContact O-N 3.2Å; V565-Q568 PolarHBondContact O-N 3.48Å; V565-V569 WeakPolarHBondContact O-CG2 3.36Å; V565-V569 PolarHBondContact O-N 2.91Å
566A98.4Very high97.9Very high29 Ų2996.7 Ų96.724%0.2451%0.514CS..Hα-helixtrans-62.1-47.1176.100000111.3F562 E563 Q568 V569 V570F562-A566 HydrophobicContact CE1-CB 4.41Å; F562-A566 VanDerWaalsContact O-CB 3.25Å; F562-A566 WeakPolarHBondContact O-CB 3.44Å; F562-A566 PolarHBondContact O-N 2.78Å; E563-A566 PolarHBondContact O-N 2.88Å; A566-Q568 VanDerWaalsContact C-N 3.35Å; A566-Q568 PolarHBondContact O-N 2.81Å; A566-V569 PolarHBondContact O-N 3.48Å; A566-V570 WeakPolarHBondContact O-CB 3.28Å; A566-V570 WeakPolarHBondContact O-CG2 3.21Å; A566-V570 PolarHBondContact O-N 3.45Å
567T98.4Very high98.1Very high68 Ų6897.2 Ų97.242%0.41752%0.515SS..Hα-helixtrans-61.3-41.9177.1-66.30000111.5E563 D564 V570 T571E563-T567 WeakPolarHBondContact O-CB 3.28Å; E563-T567 PolarHBondContact O-N 3.19Å; E563-T567 PolarHBondContact O-OG1 3.16Å; D564-T567 PolarHBondContact O-N 3.32Å; T567-V570 PolarHBondContact O-N 2.99Å; T567-T571 WeakPolarHBondContact O-CB 3.3Å; T567-T571 PolarHBondContact O-N 3.29Å; T567-T571 PolarHBondContact O-OG1 3.43Å
568Q98.3Very high98.2Very high131 Ų13195.7 Ų95.761%0.61251%0.511SS*.Hα-helixtrans-62.5-45.5175.6-168.5-170.6103.100111.7D564 V565 A566 T571 K572D564-Q568 WeakPolarHBondContact O-CB 3.39Å; D564-Q568 PolarHBondContact O-N 3.04Å; V565-Q568 PolarHBondContact O-N 3.48Å; A566-Q568 VanDerWaalsContact C-N 3.35Å; A566-Q568 PolarHBondContact O-N 2.81Å; Q568-T571 PolarHBondContact O-N 2.99Å; Q568-K572 WeakPolarHBondContact O-CB 3.5Å; Q568-K572 PolarHBondContact O-N 3.42Å
569V98.6Very high98.3Very high83 Ų8398 Ų9850%0.50351%0.513SS..Hα-helixtrans-65-44178.6169.70000111.6V565 A566 T573V565-V569 WeakPolarHBondContact O-CG2 3.36Å; V565-V569 PolarHBondContact O-N 2.91Å; A566-V569 PolarHBondContact O-N 3.48Å; V569-T573 VanDerWaalsContact O-CB 3.32Å; V569-T573 WeakPolarHBondContact O-CB 3.39Å; V569-T573 PolarHBondContact O-N 2.85Å; V569-T573 PolarHBondContact O-OG1 3.28Å
570V98.5Very high98.3Very high99 Ų9999.7 Ų99.760%0.651%0.513SS*.Hα-helixtrans-62.5-47.21761700000110.8A566 T567 T573 Q574A566-V570 WeakPolarHBondContact O-CB 3.28Å; A566-V570 WeakPolarHBondContact O-CG2 3.21Å; A566-V570 PolarHBondContact O-N 3.45Å; T567-V570 PolarHBondContact O-N 2.99Å; V570-T573 WeakPolarHBondContact O-CB 3.42Å; V570-T573 PolarHBondContact O-N 3.05Å; V570-Q574 PolarHBondContact O-N 2.91Å
571T98.3Very high98.4Very high78 Ų78100.3 Ų100.348%0.47951%0.507SS..Hα-helixtrans-60.8-50.1178.9-60.20000111.2T567 Q568 T573 Q574 T575T567-T571 WeakPolarHBondContact O-CB 3.3Å; T567-T571 PolarHBondContact O-N 3.29Å; T567-T571 PolarHBondContact O-OG1 3.43Å; Q568-T571 PolarHBondContact O-N 2.99Å; T571-T573 VanDerWaalsContact C-N 3.27Å; T571-T573 PolarHBondContact O-N 3.39Å; T571-Q574 PolarHBondContact O-N 3.25Å; T571-Q574 VanDerWaalsContact O-N 3.16Å; T571-T575 PolarHBondContact O-N 3.1Å; T571-T575 PolarHBondContact O-OG1 2.93Å; T571-T575 VanDerWaalsContact O-OG1 3.07Å
572K98.5Very high98.3Very high145 Ų145103.2 Ų103.263%0.6351%0.514SS*.Hα-helixtrans-60.1-37.7177.8-172.8171.1-176.4172.50112.1Q568 M576Q568-K572 WeakPolarHBondContact O-CB 3.5Å; Q568-K572 PolarHBondContact O-N 3.42Å; K572-M576 PolarHBondContact O-N 3.37Å
573T98.6Very high98.2Very high79 Ų79102 Ų10249%0.48551%0.513SS..Hα-helixtrans-66-47.6174.6-58.10000111.2V569 V570 T571 T575 M576 V577V569-T573 VanDerWaalsContact O-CB 3.32Å; V569-T573 WeakPolarHBondContact O-CB 3.39Å; V569-T573 PolarHBondContact O-N 2.85Å; V569-T573 PolarHBondContact O-OG1 3.28Å; V570-T573 WeakPolarHBondContact O-CB 3.42Å; V570-T573 PolarHBondContact O-N 3.05Å; T571-T573 VanDerWaalsContact C-N 3.27Å; T571-T573 PolarHBondContact O-N 3.39Å; T573-T575 VanDerWaalsContact C-N 3.33Å; T573-T575 PolarHBondContact O-N 2.93Å; T573-M576 WeakPolarHBondContact O-CB 3.39Å; T573-M576 PolarHBondContact O-N 3.14Å; T573-M576 VanDerWaalsContact O-N 3.16Å; T573-V577 WeakPolarHBondContact O-CG2 3.28Å; T573-V577 PolarHBondContact O-N 2.96Å
574Q98.5Very high98.1Very high95 Ų95100.8 Ų100.844%0.44451%0.51SS..Hα-helixtrans-61.9-39.9177.2-175.164.53100111.8V570 T571 V577 N578V570-Q574 PolarHBondContact O-N 2.91Å; T571-Q574 PolarHBondContact O-N 3.25Å; T571-Q574 VanDerWaalsContact O-N 3.16Å; Q574-V577 PolarHBondContact O-N 3.18Å; Q574-N578 PolarHBondContact NE2-OD1 3.42Å; Q574-N578 VanDerWaalsContact O-CB 3.28Å; Q574-N578 WeakPolarHBondContact O-CB 3.48Å; Q574-N578 VanDerWaalsContact O-CG 3.26Å; Q574-N578 PolarHBondContact O-N 3.22Å
575T98.5Very high98Very high68 Ų68100.2 Ų100.242%0.41750%0.504SS..Hα-helixtrans-61.3-44.3172.8-57.10000111.7T571 T573 N578 K579T571-T575 PolarHBondContact O-N 3.1Å; T571-T575 PolarHBondContact O-OG1 2.93Å; T571-T575 VanDerWaalsContact O-OG1 3.07Å; T573-T575 VanDerWaalsContact C-N 3.33Å; T573-T575 PolarHBondContact O-N 2.93Å; T575-N578 PolarHBondContact O-N 2.87Å; T575-K579 WeakPolarHBondContact O-CG 3.49Å; T575-K579 PolarHBondContact O-N 3.16Å
576M98.6Very high97.8Very high125 Ų12598.8 Ų98.862%0.61650%0.496SS*.Hα-helixtrans-59.9-48.8175.2-91.6-66.4-66.500112.3K572 T573 N578 K579 Y580K572-M576 PolarHBondContact O-N 3.37Å; T573-M576 WeakPolarHBondContact O-CB 3.39Å; T573-M576 PolarHBondContact O-N 3.14Å; T573-M576 VanDerWaalsContact O-N 3.16Å; M576-N578 VanDerWaalsContact C-N 3.33Å; M576-N578 PolarHBondContact O-N 3.23Å; M576-K579 PolarHBondContact O-N 2.88Å; M576-Y580 PolarHBondContact O-N 2.9Å
577V98.4Very high97.4Very high55 Ų55102.1 Ų102.133%0.33351%0.506SS..Hα-helixtrans-67.7-34.6179.7-175.40000111.1T573 Q574 Y580 R581T573-V577 WeakPolarHBondContact O-CG2 3.28Å; T573-V577 PolarHBondContact O-N 2.96Å; Q574-V577 PolarHBondContact O-N 3.18Å; V577-Y580 PolarHBondContact O-N 3.42Å; V577-R581 VanDerWaalsContact CG1-CZ 3.45Å; V577-R581 VanDerWaalsContact O-CG 3.3Å; V577-R581 WeakPolarHBondContact O-CG 3.35Å; V577-R581 PolarHBondContact O-N 3.14Å
578N98.3Very high97Very high78 Ų78103.1 Ų103.142%0.41752%0.522SS..Hα-helixtrans-67.1-38.9173.3-77.3-4000112.5Q574 T575 M576 R581 R582Q574-N578 PolarHBondContact NE2-OD1 3.42Å; Q574-N578 VanDerWaalsContact O-CB 3.28Å; Q574-N578 WeakPolarHBondContact O-CB 3.48Å; Q574-N578 VanDerWaalsContact O-CG 3.26Å; Q574-N578 PolarHBondContact O-N 3.22Å; T575-N578 PolarHBondContact O-N 2.87Å; M576-N578 VanDerWaalsContact C-N 3.33Å; M576-N578 PolarHBondContact O-N 3.23Å; N578-R581 PolarHBondContact O-N 3.48Å; N578-R581 PolarHBondContact OD1-NH1 3.24Å; N578-R582 PolarHBondContact O-N 3.49Å
579K98.2Very high96.7Very high136 Ų136104 Ų10459%0.59153%0.526SS*.Hα-helixtrans-61.3-45171.1-76-178.2177.3-172.10111.2T575 M576 R582 L583T575-K579 WeakPolarHBondContact O-CG 3.49Å; T575-K579 PolarHBondContact O-N 3.16Å; M576-K579 PolarHBondContact O-N 2.88Å; K579-R582 PolarHBondContact O-N 2.96Å; K579-L583 WeakPolarHBondContact O-CG 3.37Å; K579-L583 PolarHBondContact O-N 3.13Å
580Y98.2Very high96.3Very high142 Ų142104.7 Ų104.756%0.55752%0.519SS*.Hα-helixtrans-61.2-45.3175.5179.5-108.6000112.6M576 V577 R582 L583 L584M576-Y580 PolarHBondContact O-N 2.9Å; V577-Y580 PolarHBondContact O-N 3.42Å; Y580-R582 VanDerWaalsContact C-N 3.33Å; Y580-R582 PolarHBondContact O-N 3.44Å; Y580-L583 PolarHBondContact O-N 3.14Å; Y580-L584 HydrophobicContact CD1-CD1 4.06Å; Y580-L584 HydrophobicContact CD1-CG 4.48Å; Y580-L584 HydrophobicContact CE1-CD1 3.45Å; Y580-L584 VanDerWaalsContact CE1-CD1 3.45Å; Y580-L584 HydrophobicContact CE1-CG 4.07Å; Y580-L584 HydrophobicContact CE2-CD1 4.44Å; Y580-L584 HydrophobicContact CE2-CD2 4.3Å; Y580-L584 HydrophobicContact CE2-CG 4.22Å; Y580-L584 PolarHBondContact O-N 2.94Å
581R98.1Very high95.8Very high120 Ų120106.2 Ų106.245%0.45353%0.534SS..Hα-helixtrans-56.3-44.4173.2-73.8170.5-178.51273.3111.9V577 N578 L584 M585V577-R581 VanDerWaalsContact CG1-CZ 3.45Å; V577-R581 VanDerWaalsContact O-CG 3.3Å; V577-R581 WeakPolarHBondContact O-CG 3.35Å; V577-R581 PolarHBondContact O-N 3.14Å; N578-R581 PolarHBondContact O-N 3.48Å; N578-R581 PolarHBondContact OD1-NH1 3.24Å; R581-L584 PolarHBondContact O-N 3.3Å; R581-M585 WeakPolarHBondContact O-CG 3.38Å; R581-M585 PolarHBondContact O-N 3.28Å; R581-M585 VanDerWaalsContact O-N 3.1Å
582R97.1Very high95.3Very high167 Ų167105.1 Ų105.163%0.6353%0.53SS*.Hα-helixtrans-65-42.2176.9-170.8179.6-177.8-82.61.3112.2N578 K579 Y580 M585 V586N578-R582 PolarHBondContact O-N 3.49Å; K579-R582 PolarHBondContact O-N 2.96Å; Y580-R582 VanDerWaalsContact C-N 3.33Å; Y580-R582 PolarHBondContact O-N 3.44Å; R582-M585 PolarHBondContact O-N 3.13Å; R582-V586 HydrophobicContact CG-CG2 4.49Å; R582-V586 WeakPolarHBondContact O-CG2 3.26Å; R582-V586 PolarHBondContact O-N 3.34Å
583L96.6Very high94.9Very high114 Ų114102.5 Ų102.560%0.59753%0.528SS*.Hα-helixtrans-62.3-41.5176.4-71.7168.2000111.8K579 Y580 M585 V586 E587K579-L583 WeakPolarHBondContact O-CG 3.37Å; K579-L583 PolarHBondContact O-N 3.13Å; Y580-L583 PolarHBondContact O-N 3.14Å; L583-M585 PolarHBondContact O-N 3.34Å; L583-V586 PolarHBondContact O-N 3.35Å; L583-E587 PolarHBondContact O-N 3.48Å
584L95.1Very high94.6Very high89 Ų89100 Ų10047%0.46651%0.514SS..Hα-helixtrans-62.5-39.8174.3-73.5-177.9000113.1Y580 R581 A588Y580-L584 HydrophobicContact CD1-CD1 4.06Å; Y580-L584 HydrophobicContact CD1-CG 4.48Å; Y580-L584 HydrophobicContact CE1-CD1 3.45Å; Y580-L584 VanDerWaalsContact CE1-CD1 3.45Å; Y580-L584 HydrophobicContact CE1-CG 4.07Å; Y580-L584 HydrophobicContact CE2-CD1 4.44Å; Y580-L584 HydrophobicContact CE2-CD2 4.3Å; Y580-L584 HydrophobicContact CE2-CG 4.22Å; Y580-L584 PolarHBondContact O-N 2.94Å; R581-L584 PolarHBondContact O-N 3.3Å; L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.22Å
585M95.5Very high94.2Very high111 Ų111100.5 Ų100.555%0.54753%0.528SS..Hα-helixtrans-65.9-44175.8-67.8-177.1-59.900111.3R581 R582 L583 E587 A588 E589R581-M585 WeakPolarHBondContact O-CG 3.38Å; R581-M585 PolarHBondContact O-N 3.28Å; R581-M585 VanDerWaalsContact O-N 3.1Å; R582-M585 PolarHBondContact O-N 3.13Å; L583-M585 PolarHBondContact O-N 3.34Å; M585-E587 PolarHBondContact O-N 3.44Å; M585-A588 PolarHBondContact O-N 3Å; M585-E589 WeakPolarHBondContact O-CG 3.42Å; M585-E589 PolarHBondContact O-N 3.46Å
586V94.6Very high93.9Very high63 Ų63103.2 Ų103.238%0.38254%0.536SS..Hα-helixtrans-65.3-35.9177.6172.30000112.5R582 L583 E589 R590R582-V586 HydrophobicContact CG-CG2 4.49Å; R582-V586 WeakPolarHBondContact O-CG2 3.26Å; R582-V586 PolarHBondContact O-N 3.34Å; L583-V586 PolarHBondContact O-N 3.35Å; V586-E589 PolarHBondContact O-N 3.49Å; V586-R590 PolarHBondContact O-N 2.96Å
587E90.7Very high93.6Very high98 Ų98103 Ų10346%0.45854%0.535SS..Hα-helixtrans-71.6-36.6173.3-168.364.8-142.300111.6L583 M585 E589 R590L583-E587 PolarHBondContact O-N 3.48Å; M585-E587 PolarHBondContact O-N 3.44Å; E587-E589 PolarHBondContact O-N 3.36Å; E587-R590 VanDerWaalsContact CD-CD 3.48Å; E587-R590 WeakPolarHBondContact O-CB 3.41Å; E587-R590 PolarHBondContact O-N 2.9Å; E587-R590 VanDerWaalsContact O-N 3.14Å; E587-R590 WeakPolarHBondContact OE1-CD 3.2Å; E587-R590 IonicContact OE1-CZ 2.85Å; E587-R590 IonicContact OE1-NE 2.8Å; E587-R590 PolarHBondContact OE1-NE 2.89Å; E587-R590 VanDerWaalsContact OE2-CD 3.26Å; E587-R590 WeakPolarHBondContact OE2-CD 3.32Å; E587-R590 IonicContact OE2-NE 2.71Å
588A89.4Confident93.5Very high89 Ų89103.6 Ų103.674%0.73654%0.538SS*.Hα-helixtrans-66.2-24.1174.100000113.3L584 M585L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.22Å; M585-A588 PolarHBondContact O-N 3Å
589E92.9Very high93.5Very high151 Ų151105 Ų10571%0.70654%0.544SS*.THydrogen-bonded Turntrans-84-5.3174.4-73.4169.3-169.600113.5M585 V586 E587 S591M585-E589 WeakPolarHBondContact O-CG 3.42Å; M585-E589 PolarHBondContact O-N 3.46Å; V586-E589 PolarHBondContact O-N 3.49Å; E587-E589 PolarHBondContact O-N 3.36Å; E589-S591 PolarHBondContact O-N 2.97Å; E589-S591 VanDerWaalsContact O-N 3.13Å
590R90.3Very high93.4Very high96 Ų96102.8 Ų102.836%0.36254%0.537SS..  trans-71.8108.8179.9-84.7173.142.8668.2112.4V586 E587 S592 P593 S594V586-R590 PolarHBondContact O-N 2.96Å; E587-R590 VanDerWaalsContact CD-CD 3.48Å; E587-R590 WeakPolarHBondContact O-CB 3.41Å; E587-R590 PolarHBondContact O-N 2.9Å; E587-R590 VanDerWaalsContact O-N 3.14Å; E587-R590 WeakPolarHBondContact OE1-CD 3.2Å; E587-R590 IonicContact OE1-CZ 2.85Å; E587-R590 IonicContact OE1-NE 2.8Å; E587-R590 PolarHBondContact OE1-NE 2.89Å; E587-R590 VanDerWaalsContact OE2-CD 3.26Å; E587-R590 WeakPolarHBondContact OE2-CD 3.32Å; E587-R590 IonicContact OE2-NE 2.71Å; R590-S592 VanDerWaalsContact C-N 3.29Å; R590-S592 PolarHBondContact NH1-OG 2.95Å; R590-S592 PolarHBondContact NH2-O 3.12Å; R590-S592 PolarHBondContact NH2-OG 3.45Å; R590-S592 PolarHBondContact O-N 3.36Å; R590-P593 PolarHBondContact NH2-O 3.44Å; R590-P593 VanDerWaalsContact NH2-O 3.12Å; R590-S594 VanDerWaalsContact NH2-CA 3.26Å; R590-S594 VanDerWaalsContact NH2-N 3.19Å
591S86.5Confident93.3Very high131 Ų131100.4 Ų100.492%0.91653%0.534SS*.SBendtrans-70.1-18.9173.657.10000114.6E589E589-S591 PolarHBondContact O-N 2.97Å; E589-S591 VanDerWaalsContact O-N 3.13Å
592S89.6Confident93.3Very high56 Ų56103.7 Ų103.739%0.39255%0.546SS..SBendtrans-98.8140.5173.163.90000110.7R590R590-S592 VanDerWaalsContact C-N 3.29Å; R590-S592 PolarHBondContact NH1-OG 2.95Å; R590-S592 PolarHBondContact NH2-O 3.12Å; R590-S592 PolarHBondContact NH2-OG 3.45Å; R590-S592 PolarHBondContact O-N 3.36Å
593P89.4Confident93.3Very high89 Ų8999.4 Ų99.458%0.57854%0.539SS*.PPolyproline II helixtrans-64.6144.6174.129.6-35.7000111.2R590 M597 V598R590-P593 PolarHBondContact NH2-O 3.44Å; R590-P593 VanDerWaalsContact NH2-O 3.12Å; P593-M597 HydrophobicContact CB-CB 4.38Å; P593-M597 HydrophobicContact CB-CG 4.33Å; P593-V598 HydrophobicContact CB-CG2 3.87Å; P593-V598 HydrophobicContact CG-CG2 3.8Å
594S91.6Very high93.3Very high28 Ų2898.9 Ų98.920%0.19653%0.532CS..PPolyproline II helixtrans-65.9152.9172.3179.70000111.4R590 E596 M597 V598R590-S594 VanDerWaalsContact NH2-CA 3.26Å; R590-S594 VanDerWaalsContact NH2-N 3.19Å; S594-E596 PolarHBondContact O-N 3.44Å; S594-E596 PolarHBondContact OG-N 2.98Å; S594-M597 WeakPolarHBondContact O-CB 3.32Å; S594-M597 PolarHBondContact O-N 3.04Å; S594-V598 WeakPolarHBondContact O-CG2 3.39Å; S594-V598 PolarHBondContact O-N 3.36Å
595S90.8Very high93.4Very high105 Ų10598 Ų9873%0.73453%0.528SS*.Hα-helixtrans-58.9-32.5171.450.70000111.6M599S595-M599 WeakPolarHBondContact O-CB 3.46Å; S595-M599 PolarHBondContact O-N 3.03Å
596E91.4Very high93.5Very high125 Ų12598.3 Ų98.358%0.58453%0.528SS*.Hα-helixtrans-62.6-50.1169.3-178.9175.1-166.300111.4S594 V598 M599 I600S594-E596 PolarHBondContact O-N 3.44Å; S594-E596 PolarHBondContact OG-N 2.98Å; E596-V598 PolarHBondContact O-N 3.42Å; E596-M599 PolarHBondContact O-N 3.3Å; E596-M599 VanDerWaalsContact O-N 3.12Å; E596-I600 HydrophobicContact CG-CD1 3.78Å; E596-I600 HydrophobicContact CG-CG1 4.43Å; E596-I600 WeakPolarHBondContact O-CG1 3.22Å; E596-I600 PolarHBondContact O-N 2.97Å
597M93.6Very high93.6Very high121 Ų121101.5 Ų101.560%0.59654%0.539SS*.Hα-helixtrans-58.5-44.3178.8-171.770.9-17800112P593 S594 I600 D601P593-M597 HydrophobicContact CB-CB 4.38Å; P593-M597 HydrophobicContact CB-CG 4.33Å; S594-M597 WeakPolarHBondContact O-CB 3.32Å; S594-M597 PolarHBondContact O-N 3.04Å; M597-I600 PolarHBondContact O-N 3.5Å; M597-D601 WeakPolarHBondContact O-CB 3.5Å; M597-D601 PolarHBondContact O-N 2.95Å
598V95.9Very high93.9Very high67 Ų67101.4 Ų101.441%0.40654%0.538SS..Hα-helixtrans-68.1-34.9177177.60000111.7P593 S594 E596 R602P593-V598 HydrophobicContact CB-CG2 3.87Å; P593-V598 HydrophobicContact CG-CG2 3.8Å; S594-V598 WeakPolarHBondContact O-CG2 3.39Å; S594-V598 PolarHBondContact O-N 3.36Å; E596-V598 PolarHBondContact O-N 3.42Å; V598-R602 VanDerWaalsContact O-CB 3.22Å; V598-R602 WeakPolarHBondContact O-CB 3.17Å; V598-R602 PolarHBondContact O-N 2.93Å
599M97.2Very high94.3Very high108 Ų108105.4 Ų105.453%0.53253%0.534SS..Hα-helixtrans-71.6-40.1177-179.8-87.1-66.900111.8S595 E596 T603S595-M599 WeakPolarHBondContact O-CB 3.46Å; S595-M599 PolarHBondContact O-N 3.03Å; E596-M599 PolarHBondContact O-N 3.3Å; E596-M599 VanDerWaalsContact O-N 3.12Å; M599-T603 VanDerWaalsContact O-CB 3.28Å; M599-T603 WeakPolarHBondContact O-CB 3.39Å; M599-T603 PolarHBondContact O-N 2.82Å; M599-T603 PolarHBondContact O-OG1 3.26Å
600I96.4Very high94.5Very high89 Ų89101.2 Ų101.246%0.45652%0.522SS..Hα-helixtrans-62.4-51.6172.4-69.2168.7000110.1E596 M597 R602 T603 F604E596-I600 HydrophobicContact CG-CD1 3.78Å; E596-I600 HydrophobicContact CG-CG1 4.43Å; E596-I600 WeakPolarHBondContact O-CG1 3.22Å; E596-I600 PolarHBondContact O-N 2.97Å; M597-I600 PolarHBondContact O-N 3.5Å; I600-R602 PolarHBondContact O-N 2.98Å; I600-T603 PolarHBondContact O-N 3.43Å; I600-F604 WeakPolarHBondContact O-CB 3.36Å; I600-F604 PolarHBondContact O-N 3.09Å
601D97Very high94.7Very high92 Ų92100.1 Ų100.149%0.49252%0.523SS..Hα-helixtrans-59.3-4717917771.9000112M597 T603 F604 N605M597-D601 WeakPolarHBondContact O-CB 3.5Å; M597-D601 PolarHBondContact O-N 2.95Å; D601-T603 VanDerWaalsContact C-N 3.33Å; D601-T603 PolarHBondContact O-N 3.47Å; D601-F604 PolarHBondContact O-N 3.5Å; D601-N605 WeakPolarHBondContact O-CB 3.43Å; D601-N605 PolarHBondContact O-N 3.12Å; D601-N605 PolarHBondContact O-ND2 3.5Å; D601-N605 PolarHBondContact OD1-ND2 2.94Å
602R97.1Very high95.2Very high188 Ų18899.6 Ų99.671%0.70951%0.51SS*.Hα-helixtrans-59.3-42.7175171.3174-87.6160.4-7.9112V598 I600 Q606V598-R602 VanDerWaalsContact O-CB 3.22Å; V598-R602 WeakPolarHBondContact O-CB 3.17Å; V598-R602 PolarHBondContact O-N 2.93Å; I600-R602 PolarHBondContact O-N 2.98Å; R602-Q606 WeakPolarHBondContact O-CB 3.47Å; R602-Q606 PolarHBondContact O-N 3.39Å
603T97.1Very high95.4Very high77 Ų77100.8 Ų100.847%0.47251%0.514SS..Hα-helixtrans-69.3-46.3-178.2-56.60000110.8M599 I600 D601 Q606 E607M599-T603 VanDerWaalsContact O-CB 3.28Å; M599-T603 WeakPolarHBondContact O-CB 3.39Å; M599-T603 PolarHBondContact O-N 2.82Å; M599-T603 PolarHBondContact O-OG1 3.26Å; I600-T603 PolarHBondContact O-N 3.43Å; D601-T603 VanDerWaalsContact C-N 3.33Å; D601-T603 PolarHBondContact O-N 3.47Å; T603-Q606 PolarHBondContact O-N 3.5Å; T603-E607 WeakPolarHBondContact O-CB 3.21Å; T603-E607 PolarHBondContact O-N 3.01Å
604F97.9Very high95.6Very high104 Ų104100.6 Ų100.646%0.45651%0.506SS..Hα-helixtrans-59.4-50.4176176.1-104.1000111.9I600 D601 Q606 E607 E608I600-F604 WeakPolarHBondContact O-CB 3.36Å; I600-F604 PolarHBondContact O-N 3.09Å; D601-F604 PolarHBondContact O-N 3.5Å; F604-Q606 PolarHBondContact O-N 3.45Å; F604-E607 PolarHBondContact O-N 3.42Å; F604-E608 HydrophobicContact CD1-CG 4.44Å; F604-E608 HydrophobicContact CD2-CG 4.27Å; F604-E608 HydrophobicContact CE1-CG 3.98Å; F604-E608 HydrophobicContact CE2-CG 3.79Å; F604-E608 HydrophobicContact CZ-CG 3.63Å; F604-E608 WeakPolarHBondContact O-CB 3.28Å; F604-E608 WeakPolarHBondContact O-CG 3.36Å; F604-E608 PolarHBondContact O-N 3.01Å
605N97.4Very high95.6Very high71 Ų71101.4 Ų101.438%0.3851%0.508SS..Hα-helixtrans-62.7-30.9176.6-80.2-89.9000112.5D601 R609D601-N605 WeakPolarHBondContact O-CB 3.43Å; D601-N605 PolarHBondContact O-N 3.12Å; D601-N605 PolarHBondContact O-ND2 3.5Å; D601-N605 PolarHBondContact OD1-ND2 2.94Å; N605-R609 VanDerWaalsContact O-CB 3.23Å; N605-R609 WeakPolarHBondContact O-CB 3.33Å; N605-R609 WeakPolarHBondContact O-CD 3.32Å; N605-R609 WeakPolarHBondContact O-CG 3.39Å; N605-R609 PolarHBondContact O-N 3.4Å; N605-R609 VanDerWaalsContact O-N 3.11Å
606Q97.4Very high95.8Very high116 Ų116103 Ų10354%0.54250%0.502SS..Hα-helixtrans-75.9-36.1176-176.855.785.300112.2R602 T603 F604 S610R602-Q606 WeakPolarHBondContact O-CB 3.47Å; R602-Q606 PolarHBondContact O-N 3.39Å; T603-Q606 PolarHBondContact O-N 3.5Å; F604-Q606 PolarHBondContact O-N 3.45Å; Q606-S610 VanDerWaalsContact O-CB 3.3Å; Q606-S610 WeakPolarHBondContact O-CB 3.1Å; Q606-S610 PolarHBondContact O-N 3.34Å
607E96.8Very high95.9Very high130 Ų130103.7 Ų103.761%0.60750%0.499SS*.Hα-helixtrans-66.1-53173.1-175.7164.2-135.500110.7T603 F604 R609 S610 N611T603-E607 WeakPolarHBondContact O-CB 3.21Å; T603-E607 PolarHBondContact O-N 3.01Å; F604-E607 PolarHBondContact O-N 3.42Å; E607-R609 VanDerWaalsContact C-N 3.33Å; E607-R609 PolarHBondContact O-N 3.45Å; E607-S610 CarbonylContact O-C 3.13Å; E607-S610 WeakPolarHBondContact O-CA 3.47Å; E607-S610 VanDerWaalsContact O-CB 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.48Å; E607-S610 PolarHBondContact O-N 2.69Å; E607-N611 WeakPolarHBondContact O-CB 3.25Å; E607-N611 PolarHBondContact O-N 2.94Å
608E97Very high95.7Very high96 Ų96100.9 Ų100.945%0.44949%0.485SS..Hα-helixtrans-56.8-42.8176.9-75.2-68101.300112.4F604 S610 N611 L612F604-E608 HydrophobicContact CD1-CG 4.44Å; F604-E608 HydrophobicContact CD2-CG 4.27Å; F604-E608 HydrophobicContact CE1-CG 3.98Å; F604-E608 HydrophobicContact CE2-CG 3.79Å; F604-E608 HydrophobicContact CZ-CG 3.63Å; F604-E608 WeakPolarHBondContact O-CB 3.28Å; F604-E608 WeakPolarHBondContact O-CG 3.36Å; F604-E608 PolarHBondContact O-N 3.01Å; E608-S610 VanDerWaalsContact C-N 3.33Å; E608-S610 PolarHBondContact O-N 3.4Å; E608-N611 PolarHBondContact O-N 3.46Å; E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.23Å; E608-L612 PolarHBondContact O-N 3.02Å
609R97.4Very high95.4Very high173 Ų173100.8 Ų100.865%0.65349%0.485SS*.Hα-helixtrans-67.4-32.4175.1-74.6171.964.7175.4-0.8112.8N605 E607 T613N605-R609 VanDerWaalsContact O-CB 3.23Å; N605-R609 WeakPolarHBondContact O-CB 3.33Å; N605-R609 WeakPolarHBondContact O-CD 3.32Å; N605-R609 WeakPolarHBondContact O-CG 3.39Å; N605-R609 PolarHBondContact O-N 3.4Å; N605-R609 VanDerWaalsContact O-N 3.11Å; E607-R609 VanDerWaalsContact C-N 3.33Å; E607-R609 PolarHBondContact O-N 3.45Å; R609-T613 VanDerWaalsContact O-CB 3.25Å; R609-T613 WeakPolarHBondContact O-CB 3.47Å; R609-T613 PolarHBondContact O-N 2.83Å; R609-T613 PolarHBondContact O-OG1 3.11Å
610S96.4Very high95.1Very high64 Ų64102 Ų10245%0.44849%0.493SS..Hα-helixtrans-69.4-45.8173.8-172.70000110.6Q606 E607 E608 T613 Q614Q606-S610 VanDerWaalsContact O-CB 3.3Å; Q606-S610 WeakPolarHBondContact O-CB 3.1Å; Q606-S610 PolarHBondContact O-N 3.34Å; E607-S610 CarbonylContact O-C 3.13Å; E607-S610 WeakPolarHBondContact O-CA 3.47Å; E607-S610 VanDerWaalsContact O-CB 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.48Å; E607-S610 PolarHBondContact O-N 2.69Å; E608-S610 VanDerWaalsContact C-N 3.33Å; E608-S610 PolarHBondContact O-N 3.4Å; S610-T613 CarbonylContact O-C 3.56Å; S610-T613 WeakPolarHBondContact O-CA 3.3Å; S610-T613 WeakPolarHBondContact O-CB 3.41Å; S610-T613 PolarHBondContact O-N 2.82Å; S610-T613 VanDerWaalsContact O-N 3.15Å; S610-Q614 PolarHBondContact O-N 3.18Å
611N95.4Very high94.8Very high73 Ų73103.8 Ų103.839%0.3951%0.507SS..Hα-helixtrans-64-51.4-179.1-156.528.1000111.1E607 E608 T613 Q614 D615E607-N611 WeakPolarHBondContact O-CB 3.25Å; E607-N611 PolarHBondContact O-N 2.94Å; E608-N611 PolarHBondContact O-N 3.46Å; N611-T613 PolarHBondContact O-N 3.28Å; N611-T613 VanDerWaalsContact O-N 3.11Å; N611-Q614 CarbonylContact O-C 3.47Å; N611-Q614 WeakPolarHBondContact O-CA 3.44Å; N611-Q614 VanDerWaalsContact O-CB 3.3Å; N611-Q614 WeakPolarHBondContact O-CB 3.31Å; N611-Q614 PolarHBondContact O-N 2.9Å; N611-D615 PolarHBondContact O-N 3.25Å
612L95.5Very high94.3Very high120 Ų120102.9 Ų102.963%0.62850%0.502SS*.Hα-helixtrans-59-28.8173.4-176.761.9000113E608 K616E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.23Å; E608-L612 PolarHBondContact O-N 3.02Å; L612-K616 WeakPolarHBondContact O-CB 3.31Å; L612-K616 PolarHBondContact O-N 2.91Å
613T95.3Very high93.8Very high80 Ų8097 Ų9749%0.49149%0.489SS..Hα-helixtrans-79.3-24.6173.5-59.10000112.5R609 S610 N611 R617R609-T613 VanDerWaalsContact O-CB 3.25Å; R609-T613 WeakPolarHBondContact O-CB 3.47Å; R609-T613 PolarHBondContact O-N 2.83Å; R609-T613 PolarHBondContact O-OG1 3.11Å; S610-T613 CarbonylContact O-C 3.56Å; S610-T613 WeakPolarHBondContact O-CA 3.3Å; S610-T613 WeakPolarHBondContact O-CB 3.41Å; S610-T613 PolarHBondContact O-N 2.82Å; S610-T613 VanDerWaalsContact O-N 3.15Å; N611-T613 PolarHBondContact O-N 3.28Å; N611-T613 VanDerWaalsContact O-N 3.11Å; T613-R617 WeakPolarHBondContact O-CG 3.3Å; T613-R617 PolarHBondContact O-N 3.18Å; T613-R617 PolarHBondContact O-NE 3.39Å
614Q92.8Very high93.1Very high86 Ų8699.3 Ų99.340%0.40250%0.498SS..Hα-helixtrans-74-54.2168.1-180167.9-60.500110.6S610 N611 K616 R617 M618S610-Q614 PolarHBondContact O-N 3.18Å; N611-Q614 CarbonylContact O-C 3.47Å; N611-Q614 WeakPolarHBondContact O-CA 3.44Å; N611-Q614 VanDerWaalsContact O-CB 3.3Å; N611-Q614 WeakPolarHBondContact O-CB 3.31Å; N611-Q614 PolarHBondContact O-N 2.9Å; Q614-K616 VanDerWaalsContact C-N 3.31Å; Q614-K616 PolarHBondContact O-N 2.87Å; Q614-R617 CarbonylContact O-C 3.49Å; Q614-R617 WeakPolarHBondContact O-CA 3.45Å; Q614-R617 WeakPolarHBondContact O-CB 3.47Å; Q614-R617 PolarHBondContact O-N 3.19Å; Q614-M618 HydrophobicContact CG-CG 4.39Å; Q614-M618 PolarHBondContact O-N 2.84Å
615D92.4Very high92.5Very high44 Ų4495.2 Ų95.224%0.23549%0.485CS..Hα-helixtrans-51-49.3176.1-67.4-3.7000111.7N611 R617 M618 V619 F626N611-D615 PolarHBondContact O-N 3.25Å; D615-R617 PolarHBondContact O-N 3Å; D615-M618 WeakPolarHBondContact O-CB 3.32Å; D615-M618 PolarHBondContact O-N 3.33Å; D615-V619 WeakPolarHBondContact O-CG2 3.4Å; D615-V619 PolarHBondContact O-N 3.47Å; D615-F626 HydrophobicContact CB-CD2 4.42Å; D615-F626 HydrophobicContact CB-CE2 3.85Å
616K94.6Very high91.8Very high140 Ų14093.9 Ų93.961%0.60948%0.476SS*.Hα-helixtrans-60-31176.2-178.8176.9177.1-178.60113L612 Q614 L620L612-K616 WeakPolarHBondContact O-CB 3.31Å; L612-K616 PolarHBondContact O-N 2.91Å; Q614-K616 VanDerWaalsContact C-N 3.31Å; Q614-K616 PolarHBondContact O-N 2.87Å; K616-L620 HydrophobicContact CG-CD1 4.31Å; K616-L620 WeakPolarHBondContact O-CB 3.34Å; K616-L620 VanDerWaalsContact O-CD1 3.3Å; K616-L620 WeakPolarHBondContact O-CD1 3.35Å; K616-L620 WeakPolarHBondContact O-CG 3.15Å
617R93.1Very high91.2Very high139 Ų13993.2 Ų93.253%0.52548%0.476SS..Hα-helixtrans-77.4-39.7173-75.6176.6-68.6153.42.9111.3T613 Q614 D615 L620 V621T613-R617 WeakPolarHBondContact O-CG 3.3Å; T613-R617 PolarHBondContact O-N 3.18Å; T613-R617 PolarHBondContact O-NE 3.39Å; Q614-R617 CarbonylContact O-C 3.49Å; Q614-R617 WeakPolarHBondContact O-CA 3.45Å; Q614-R617 WeakPolarHBondContact O-CB 3.47Å; Q614-R617 PolarHBondContact O-N 3.19Å; D615-R617 PolarHBondContact O-N 3Å; R617-L620 PolarHBondContact O-N 2.97Å; R617-V621 WeakPolarHBondContact O-CB 3.3Å; R617-V621 VanDerWaalsContact O-CG2 3.31Å; R617-V621 WeakPolarHBondContact O-CG2 3.3Å; R617-V621 PolarHBondContact O-N 2.97Å
618M88.7Confident90.4Very high61 Ų6193.3 Ų93.330%0.348%0.476SS..Hα-helixtrans-58.5-54.7174.4-65.7-57.3-6600110.3Q614 D615 L620 V621 D622 F626Q614-M618 HydrophobicContact CG-CG 4.39Å; Q614-M618 PolarHBondContact O-N 2.84Å; D615-M618 WeakPolarHBondContact O-CB 3.32Å; D615-M618 PolarHBondContact O-N 3.33Å; M618-L620 PolarHBondContact O-N 3.23Å; M618-V621 PolarHBondContact O-N 3.06Å; M618-D622 CarbonylContact O-C 3.52Å; M618-D622 WeakPolarHBondContact O-CA 3.34Å; M618-D622 PolarHBondContact O-N 2.67Å; M618-F626 HydrophobicContact CB-CB 4.1Å; M618-F626 HydrophobicContact CB-CD2 4.26Å
619V91.3Very high89.4Confident66 Ų6693.9 Ų93.940%0.448%0.479SS..Hα-helixtrans-50.8-33.31751740000113.7D615 F626D615-V619 WeakPolarHBondContact O-CG2 3.4Å; D615-V619 PolarHBondContact O-N 3.47Å; V619-F626 HydrophobicContact CG2-CB 4.08Å; V619-F626 HydrophobicContact CG2-CD1 3.4Å; V619-F626 VanDerWaalsContact CG2-CD1 3.4Å; V619-F626 HydrophobicContact CG2-CD2 3.72Å; V619-F626 HydrophobicContact CG2-CE1 3.68Å; V619-F626 HydrophobicContact CG2-CE2 3.98Å; V619-F626 HydrophobicContact CG2-CG 3.41Å; V619-F626 VanDerWaalsContact CG2-CG 3.41Å; V619-F626 HydrophobicContact CG2-CZ 3.96Å
620L90.7Very high88.3Confident134 Ų13493.1 Ų93.170%0.70248%0.48SS*.Hα-helixtrans-90.3-16.4-177.6-71.7174000114.7K616 R617 M618K616-L620 HydrophobicContact CG-CD1 4.31Å; K616-L620 WeakPolarHBondContact O-CB 3.34Å; K616-L620 VanDerWaalsContact O-CD1 3.3Å; K616-L620 WeakPolarHBondContact O-CD1 3.35Å; K616-L620 WeakPolarHBondContact O-CG 3.15Å; R617-L620 PolarHBondContact O-N 2.97Å; M618-L620 PolarHBondContact O-N 3.23Å
621V90.7Very high87.1Confident126 Ų12693.6 Ų93.676%0.76448%0.483SS*.Hα-helixtrans-112.2-38.4-176.4174.30000111.5R617 M618R617-V621 WeakPolarHBondContact O-CB 3.3Å; R617-V621 VanDerWaalsContact O-CG2 3.31Å; R617-V621 WeakPolarHBondContact O-CG2 3.3Å; R617-V621 PolarHBondContact O-N 2.97Å; M618-V621 PolarHBondContact O-N 3.06Å
622D86.5Confident85.6Confident72 Ų7292.5 Ų92.539%0.38548%0.481SS..  trans-147.382.2-179.3-174.62000109.8M618 D624 G625 F626M618-D622 CarbonylContact O-C 3.52Å; M618-D622 WeakPolarHBondContact O-CA 3.34Å; M618-D622 PolarHBondContact O-N 2.67Å; D622-D624 VanDerWaalsContact C-N 3.26Å; D622-D624 PolarHBondContact O-N 3.31Å; D622-D624 PolarHBondContact OD1-N 2.79Å; D622-G625 PolarHBondContact O-N 3.37Å; D622-G625 PolarHBondContact OD1-N 2.87Å; D622-F626 PolarHBondContact O-N 2.84Å
623P84.9Confident83.6Confident66 Ų6689.6 Ų89.643%0.42948%0.479SS..Hα-helixtrans-67.1-27.2-179.327.8-35000112.8L627P623-L627 WeakPolarHBondContact O-CD1 3.2Å; P623-L627 PolarHBondContact O-N 2.79Å
624D83.9Confident81.4Confident125 Ų12590.1 Ų90.167%0.66849%0.492SS*.Hα-helixtrans-75.5-42.6178.6-66.5-38.5000110.4D622 F626 L627 E628D622-D624 VanDerWaalsContact C-N 3.26Å; D622-D624 PolarHBondContact O-N 3.31Å; D622-D624 PolarHBondContact OD1-N 2.79Å; D624-F626 PolarHBondContact O-N 2.75Å; D624-L627 CarbonylContact O-C 3.58Å; D624-L627 WeakPolarHBondContact O-CB 3.49Å; D624-L627 PolarHBondContact O-N 2.84Å; D624-L627 VanDerWaalsContact O-N 3.14Å; D624-E628 PolarHBondContact O-N 3.02Å
625G84.1Confident79.2Confident18 Ų1894.6 Ų94.619%0.18651%0.51CS..Hα-helixtrans-62.4-38171.400000113.2D622 E628 E629D622-G625 PolarHBondContact O-N 3.37Å; D622-G625 PolarHBondContact OD1-N 2.87Å; G625-E628 PolarHBondContact O-N 2.83Å; G625-E629 PolarHBondContact O-N 2.82Å
626F84.1Confident77.1Confident42 Ų4297 Ų9718%0.18453%0.531CS..Hα-helixtrans-64.4-41.1169.8175.9-95.3000112.2D615 M618 V619 D622 D624 E628 E629 F630D615-F626 HydrophobicContact CB-CD2 4.42Å; D615-F626 HydrophobicContact CB-CE2 3.85Å; M618-F626 HydrophobicContact CB-CB 4.1Å; M618-F626 HydrophobicContact CB-CD2 4.26Å; V619-F626 HydrophobicContact CG2-CB 4.08Å; V619-F626 HydrophobicContact CG2-CD1 3.4Å; V619-F626 VanDerWaalsContact CG2-CD1 3.4Å; V619-F626 HydrophobicContact CG2-CD2 3.72Å; V619-F626 HydrophobicContact CG2-CE1 3.68Å; V619-F626 HydrophobicContact CG2-CE2 3.98Å; V619-F626 HydrophobicContact CG2-CG 3.41Å; V619-F626 VanDerWaalsContact CG2-CG 3.41Å; V619-F626 HydrophobicContact CG2-CZ 3.96Å; D622-F626 PolarHBondContact O-N 2.84Å; D624-F626 PolarHBondContact O-N 2.75Å; F626-E628 VanDerWaalsContact C-N 3.29Å; F626-E628 PolarHBondContact O-N 3.15Å; F626-E629 PolarHBondContact O-N 3.11Å; F626-F630 HydrophobicContact CE1-CB 4.27Å; F626-F630 HydrophobicContact CE1-CG 4.47Å; F626-F630 HydrophobicContact CZ-CB 4.32Å; F626-F630 HydrophobicContact CZ-CD2 4.05Å; F626-F630 HydrophobicContact CZ-CG 4.38Å; F626-F630 VanDerWaalsContact O-CB 3.3Å; F626-F630 WeakPolarHBondContact O-CB 3.23Å; F626-F630 PolarHBondContact O-N 3.05Å
627L83.1Confident74.7Confident102 Ų10297.9 Ų97.953%0.53454%0.535SS..Hα-helixtrans-62.8-37.6174.3-109.382.3000111.6P623 D624 C631P623-L627 WeakPolarHBondContact O-CD1 3.2Å; P623-L627 PolarHBondContact O-N 2.79Å; D624-L627 CarbonylContact O-C 3.58Å; D624-L627 WeakPolarHBondContact O-CB 3.49Å; D624-L627 PolarHBondContact O-N 2.84Å; D624-L627 VanDerWaalsContact O-N 3.14Å; L627-C631 WeakPolarHBondContact O-CB 3.1Å; L627-C631 PolarHBondContact O-N 3.3Å; L627-C631 PolarHBondContact O-SG 3.38Å
628E81.5Confident72.3Confident133 Ų13396.9 Ų96.962%0.62154%0.544SS*.Hα-helixtrans-67.5-43.6175.4-171.8161.7-142.100111.5D624 G625 F626 F630 C632D624-E628 PolarHBondContact O-N 3.02Å; G625-E628 PolarHBondContact O-N 2.83Å; F626-E628 VanDerWaalsContact C-N 3.29Å; F626-E628 PolarHBondContact O-N 3.15Å; E628-F630 PolarHBondContact O-N 2.85Å; E628-C632 HydrophobicContact CG-CB 4.15Å; E628-C632 VanDerWaalsContact O-CA 3.28Å; E628-C632 WeakPolarHBondContact O-CA 3.49Å; E628-C632 WeakPolarHBondContact O-CB 3.36Å; E628-C632 PolarHBondContact O-N 3.48Å
629E75.2Confident70Confident107 Ų107103 Ų10350%0.557%0.569SS.*Hα-helixtrans-62-44.9174.5-172.8157.9-147.800111.9G625 F626 G633G625-E629 PolarHBondContact O-N 2.82Å; F626-E629 PolarHBondContact O-N 3.11Å; E629-G633 VanDerWaalsContact O-CA 3.23Å; E629-G633 WeakPolarHBondContact O-CA 3.28Å; E629-G633 PolarHBondContact O-N 3.45Å
630F74.4Confident67.2Low157 Ų157109.3 Ų109.369%0.68959%0.594SS**Hα-helixtrans-73-39.1-178.7-165.3-95.3000113.6F626 E628F626-F630 HydrophobicContact CE1-CB 4.27Å; F626-F630 HydrophobicContact CE1-CG 4.47Å; F626-F630 HydrophobicContact CZ-CB 4.32Å; F626-F630 HydrophobicContact CZ-CD2 4.05Å; F626-F630 HydrophobicContact CZ-CG 4.38Å; F626-F630 VanDerWaalsContact O-CB 3.3Å; F626-F630 WeakPolarHBondContact O-CB 3.23Å; F626-F630 PolarHBondContact O-N 3.05Å; E628-F630 PolarHBondContact O-N 2.85Å
631C71.4Confident64.3Low75 Ų75109.8 Ų109.851%0.50760%0.597SS.*Hα-helixtrans-90.6-33.5-176.9-570000113.1L627L627-C631 WeakPolarHBondContact O-CB 3.1Å; L627-C631 PolarHBondContact O-N 3.3Å; L627-C631 PolarHBondContact O-SG 3.38Å
632C62.6Low62.2Low50 Ų50108.7 Ų108.734%0.33859%0.593SS.*Hα-helixtrans-99.6-13.5-179.5-57.50000113.1E628 A634 K635 S636E628-C632 HydrophobicContact CG-CB 4.15Å; E628-C632 VanDerWaalsContact O-CA 3.28Å; E628-C632 WeakPolarHBondContact O-CA 3.49Å; E628-C632 WeakPolarHBondContact O-CB 3.36Å; E628-C632 PolarHBondContact O-N 3.48Å; C632-A634 PolarHBondContact O-N 2.86Å; C632-K635 CarbonylContact O-C 3.5Å; C632-K635 PolarHBondContact O-N 3.2Å; C632-S636 WeakPolarHBondContact O-CB 3.38Å; C632-S636 PolarHBondContact O-N 2.84Å
633G54.3Low59.6Low58 Ų58113.5 Ų113.560%0.59862%0.618SS**THydrogen-bonded Turntrans-56.1-31.5170.100000113.3E629 K635E629-G633 VanDerWaalsContact O-CA 3.23Å; E629-G633 WeakPolarHBondContact O-CA 3.28Å; E629-G633 PolarHBondContact O-N 3.45Å; G633-K635 VanDerWaalsContact C-N 3.31Å; G633-K635 PolarHBondContact O-N 3.23Å
634A48.6Very low57.3Low92 Ų92116 Ų11676%0.7663%0.634SS**THydrogen-bonded Turntrans-78.4-4.1173.300000114.9C632C632-A634 PolarHBondContact O-N 2.86Å
635K47.2Very low54.7Low179 Ų179115.3 Ų115.378%0.77864%0.639SS**THydrogen-bonded Turntrans-136.4-16.1-173.9-72.2-169.6174.7179.40116.3C632 G633 K637C632-K635 CarbonylContact O-C 3.5Å; C632-K635 PolarHBondContact O-N 3.2Å; G633-K635 VanDerWaalsContact C-N 3.31Å; G633-K635 PolarHBondContact O-N 3.23Å; K635-K637 PolarHBondContact O-N 3.07Å
636S48.8Very low52.9Low96 Ų96120.1 Ų120.167%0.67167%0.667SS**  trans-100.550.7-172.3-149.80000114.1C632C632-S636 WeakPolarHBondContact O-CB 3.38Å; C632-S636 PolarHBondContact O-N 2.84Å
637K44.5Very low50.2Low158 Ų158124 Ų12469%0.68770%0.699SS**SBendtrans-135.833.3163.5-67.4-161.9-170.9-1750112.8N330 K635N330-K637 WeakPolarHBondContact OD1-CD 3.5Å; N330-K637 PolarHBondContact OD1-NZ 3.45Å; K635-K637 PolarHBondContact O-N 3.07Å
638V42.3Very low47.6Very low118 Ų118127.4 Ų127.472%0.71571%0.712SS**SBendtrans-130.1108174.6-179.70000109
639F39.6Very low45Very low188 Ų188128.6 Ų128.683%0.82572%0.723SS**  trans53107.8174.2-78.3-95000118.2
640Q33.9Very low42.8Very low199 Ų199129.3 Ų129.393%0.9373%0.734SS**  -126.6123125.7-76.6-159.134.600109.7
641D29.3Very low40.4Very low144 Ų144127.9 Ų127.977%0.7774%0.743SS**  trans-133.4131.4160-148.30.2000104.7
642P45.3Very low38.3Very low104 Ų104129.9 Ų129.968%0.67575%0.749SS**  trans-92.8132.8-152.333.3-34.7000114.7
643L32.3Very low36.8Very low173 Ų173135 Ų13591%0.90677%0.768SS**  trans-148.4170.2161.4-120.978.7000108.7
644P36.8Very low35.7Very low118 Ų118138.3 Ų138.377%0.76678%0.781SS**  trans-111.7171.7-135.39.116.9000114.7
645S28.8Very low34.9Very low111 Ų111141.5 Ų141.578%0.77678%0.78SS**  trans-78.3176.3173.657.30000113.1
646P46.1Very low34.1Very low119 Ų119140.7 Ų140.777%0.77378%0.779SS**  -132.5177.8-5338-24.1000111.8
647S27.7Very low33Very low122 Ų122139.6 Ų139.685%0.85378%0.784SS**  trans-151.8153.2160.852.80000112.7
648E29.2Very low32.4Very low174 Ų174137.9 Ų137.981%0.81379%0.791SS**  trans-94.4163.6-166.5-58159.4117.100112.8
649N27.2Very low31.8Very low158 Ų158137.2 Ų137.285%0.84580%0.798SS**  173.3106.8120.2-89.9-60.1000114.4
650T27.6Very low31.2Very low122 Ų122136.4 Ų136.475%0.74880%0.797SS**  trans-17.5137.3151.2-51.30000119.6
651C25.3Very low32.2Very low128 Ų128131 Ų13187%0.86578%0.779SS**  -169.8166.9113-144.50000113.7
652D27.8Very low32.2Very low117 Ų117133 Ų13363%0.62678%0.784SS**  trans-103.2156.3-159.3-89.3-82.8000117.8
653Q31Very low31.4Very low158 Ų158135.3 Ų135.374%0.73879%0.785SS**  trans9.5144141.4-56.817273.500121.2
654S30.7Very low31.2Very low126 Ų126138.6 Ų138.688%0.88179%0.786SS**  trans-154.7139137-78.50000111.9
655E31.8Very low31Very low159 Ų159137.7 Ų137.774%0.74378%0.778SS**  trans-84-174.6166.7-50.6178.67400109.8
656Q30.7Very low30.9Very low162 Ų162138.5 Ų138.576%0.75777%0.774SS**  cis-163.5147.49.7-151.6166.955.800111.5
657G25.1Very low30.2Very low74 Ų74141.3 Ų141.376%0.76377%0.774SS**  trans71.8172.915300000119.5
658S32.8Very low30.3Very low121 Ų121143.6 Ų143.685%0.84677%0.772SS**  cis-165.6131.9-19.2-174.80000111.1
659A29.1Very low31.2Very low104 Ų104141 Ų14186%0.8677%0.77SS**  trans-164.9120.6160.700000111.8
660E27.7Very low31.2Very low171 Ų171137.1 Ų137.180%0.79977%0.767SS**  trans-148.6-179.7177.8-130.2-158.2130.800106.2
661P54.4Low31.6Very low87 Ų87142 Ų14257%0.56578%0.778SS**  cis-126.7-169.8-3131.5-11.3000111.6
662E29Very low31.8Very low184 Ų184139.7 Ų139.786%0.8678%0.776SS**  -177.9162110.6-95.9-142.5104.800113.3
663H29Very low32.5Very low153 Ų153141.1 Ų141.171%0.70878%0.783SS**  trans-109.5151.5-166.1-58.8-94.7000114.5
664R28.1Very low33.4Very low242 Ų242139.4 Ų139.491%0.91379%0.786SS**  170.9167.6120-94.8-177.8161.7111.4-3.3111.3
665T32.4Very low33.7Very low100 Ų100136.6 Ų136.661%0.61378%0.777SS**  cis169.4130-37.9-83.80000107.3
666D27.1Very low33.7Very low128 Ų128133 Ų13368%0.68478%0.783SS**  trans71.2118.2157.9-61.9-8.1000124.6
667F29.8Very low33.9Very low177 Ų177129.5 Ų129.578%0.77679%0.79SS**  trans43.3131.5130.5-58.8-75.3000125.5
668Q30.3Very low34.4Very low171 Ų171129.4 Ų129.480%0.79979%0.789SS**  6.5167.5127.1-83.4-172.3-45.500121.8
669P48.6Very low34.4Very low120 Ų120131 Ų13178%0.77979%0.793SS**  cis-136-172.3-26.438.2-20000113
670G27.6Very low34.6Very low75 Ų75130.5 Ų130.577%0.77379%0.789SS**  trans177.5138.1166.300000118
671F34.9Very low34.7Very low225 Ų225126.2 Ų126.299%0.98779%0.792SS**  trans-80.3160.6177.6-73.1-106.7000113.9
672G29.7Very low33.5Very low80 Ų80126.9 Ų126.983%0.82580%0.804SS**  trans163.1109.3155.500000117.3
673D42.4Very low33.6Very low146 Ų146125.9 Ų125.978%0.78180%0.804SS**  trans-90.4149.4160.1172.152.4000109.6G675D673-G675 PolarHBondContact OD1-N 2.88Å
674P51Low34.5Very low122 Ų122123.5 Ų123.579%0.79280%0.802SS**  -149.7111.2112.634.4-15.1000116.4
675G36.9Very low34.7Very low67 Ų67117.3 Ų117.369%0.69180%0.796SS**  69.3130.7108.300000123D673D673-G675 PolarHBondContact OD1-N 2.88Å
676G32.1Very low34.4Very low85 Ų85119.5 Ų119.588%0.87680%0.804SS**  trans130131160.400000113.9
677G34.3Very low34.4Very low88 Ų88123.6 Ų123.691%0.90781%0.81SS**  cis120.6129.92.100000112
678G34.9Very low34.5Very low72 Ų72122.6 Ų122.674%0.74281%0.812SS**  cis162.3149.6-7.600000111.9
679V33.2Very low34.5Very low153 Ų153122.9 Ų122.993%0.92781%0.813SS**  trans-168.3152.8168.5-88.70000110.3
680A33.8Very low35Very low94 Ų94122.2 Ų122.278%0.77781%0.808SS**  cis-168.3129.5-3000000110.9
681G28.7Very low35.8Very low82 Ų82124.2 Ų124.285%0.84581%0.807SS**  trans81.2150.7169.500000116.6
682A30.7Very low35.6Very low100 Ų100121.5 Ų121.583%0.82680%0.797SS**  cis-154.8164.6-900000111.7
683L29.6Very low35.7Very low163 Ų163123.4 Ų123.485%0.85379%0.788SS**  trans-95.7175.2-179.2-92.680.8000111.9
684P49.2Very low35.1Very low103 Ų103122.3 Ų122.367%0.66978%0.782SS**  cis-143.8-171.4-35.941-23000114.5
685S30.5Very low34Very low112 Ų112123 Ų12378%0.78378%0.78SS**  trans75.3121.1143.4-63.30000124.2
686D27.1Very low33.7Very low147 Ų147127.1 Ų127.179%0.78678%0.781SS**  trans84.2153.1130.5-15928000121.9
687R27.5Very low33.5Very low214 Ų214131.8 Ų131.881%0.80878%0.777SS**  trans76.1100.7168.4-62.7-166.9166.7-148.3-6.8122.3
688L31.6Very low33.2Very low156 Ų156133.4 Ų133.482%0.81777%0.769SS**  25.1142.6118-68.5168.9000122.5
689H29.7Very low33.2Very low177 Ų177138.2 Ų138.282%0.81978%0.776SS**  trans82.6161.5156.2-85.2-63.8000119.1
690P60.1Low33Very low105 Ų105138.4 Ų138.468%0.68277%0.767SS**  trans-115.5-178.9-141.644.6-37.2000114.8
691P44.8Very low32.8Very low117 Ų117141 Ų14176%0.7677%0.768SS**  trans-149.4135.5133.435.4-17.8000117.3
692H29.5Very low32.7Very low168 Ų168146.3 Ų146.378%0.77877%0.767SS**  35.8144.4105.3-155.3-146.7000122.3
693L32.4Very low32.5Very low121 Ų121152.6 Ų152.663%0.63477%0.77SS**  trans102119153-76160.8000123.4
694D29.8Very low33.1Very low122 Ų122150 Ų15065%0.65276%0.762SS**  trans42.7130.3133.3-69.57000123.8
695N28.7Very low32Very low138 Ų138153.2 Ų153.274%0.73877%0.768SS**  169.7162.3102.8-92.3-83.5000109.9
696Q30.3Very low32Very low152 Ų152156 Ų15671%0.7177%0.769SS**  cis-169.5159.5-37.6-171.5178.992.800108.1
697K28Very low31.9Very low183 Ų183153.8 Ų153.880%0.79677%0.765SS**  trans86.6114.5-178.7-56.7-179179.2178.50114.2
698V28Very low31.9Very low122 Ų122153.3 Ų153.374%0.73977%0.769SS**  cis86.1106.744.9177.30000113.4
699L34.7Very low31.7Very low173 Ų173149.4 Ų149.491%0.90677%0.766SS**  trans-144.4134.4130.6-108.4171.9000108.9
700E28.7Very low31.6Very low158 Ų158147.6 Ų147.674%0.73877%0.774SS**  trans-92.4176.8178.3-42.9175.994.200110.3
701L29.4Very low29.9Very low149 Ų149145.8 Ų145.878%0.7877%0.774SS**  cis-160.1178.11.2-158.560.7000108.8
702K26.3Very low29.1Very low193 Ų193146 Ų14684%0.83978%0.779SS**  trans113.997.6137.5-159.8167.8-177.2179.90119.5
703R27.2Very low29Very low232 Ų232142.7 Ų142.788%0.87578%0.78SS**  trans-66.1173.1148.8-80.5-174.1-167.8135.72.6111.4
704P41.3Very low28.8Very low107 Ų107140 Ų14070%0.69578%0.782SS**  cis-123-153.89.135.4-12.2000111.3
705Q25.5Very low28.8Very low171 Ų171142.5 Ų142.580%0.79980%0.795SS**  cis-159.8171.410.4-154.4169-86.100112.5
706Q31.1Very low28.9Very low172 Ų172141.3 Ų141.380%0.80480%0.798SS**  trans-75.9156.8162.5-58.5158.7-5000112
707S26.4Very low29.7Very low99 Ų99139.3 Ų139.369%0.69280%0.798SS**  155.6158.2110.563.10000116.1
708F27.3Very low29.7Very low204 Ų204138.1 Ų138.190%0.89580%0.8SS**  trans13.3122162.3-56.6-69.4000122.5
709G26Very low29.8Very low74 Ų74136.3 Ų136.376%0.76380%0.798SS**  93.212288.500000121.5
710S27.1Very low29.6Very low139 Ų139132 Ų13297%0.97279%0.787SS**  trans69.9145.7150.1-1580000120.7
711G25.8Very low29.7Very low67 Ų67131.8 Ų131.869%0.69179%0.791SS**  trans139.872.4150.900000121.4
712S27.8Very low29.6Very low123 Ų123130 Ų13086%0.8679%0.791SS**  trans50.3149.4134.3-151.60000124.7
713A28.1Very low29.9Very low98 Ų98131.6 Ų131.681%0.8179%0.793SS**  trans68.6146.716100000119.1
714G27.1Very low30.1Very low64 Ų64124.4 Ų124.466%0.6678%0.783SS**  cis167.3-169.1-6.100000114.2
715N30.5Very low29.6Very low175 Ų175128.7 Ų128.794%0.93679%0.794SS**  trans86.1129.9169.6-54.9-23.8000119.7
716S31.1Very low29.8Very low113 Ų113124 Ų12479%0.7979%0.792SS**  trans-140.9143.5164.9171.10000109
717P45.7Very low29.9Very low109 Ų109125.8 Ų125.871%0.70880%0.797SS**  trans-128.1165.2149.77.516000110.7
718D29.6Very low30Very low159 Ų159132.3 Ų132.385%0.8581%0.806SS**  cis-168.5165.3-10.2-126-35.8000105.4
719A29Very low30.3Very low84 Ų84127.5 Ų127.569%0.69480%0.798SS**  cis-154.5-151.5-0.200000106.4
720A29.6Very low31.6Very low81 Ų81128.8 Ų128.867%0.66979%0.793SS**  cis-159.8156.6-2.800000110.7
721N30.9Very low31.8Very low155 Ų155131.7 Ų131.783%0.82979%0.788SS**  trans21.9120.5148.8-63-26.4000121.6
722S29.2Very low32Very low111 Ų111133 Ų13378%0.77679%0.793SS**  -170143.9109.830.50000115
723Y32.6Very low32.2Very low226 Ų226132 Ų13289%0.88679%0.792SS**  trans8.8149.2151.7-61.5-81.7000121.5
724A30.5Very low32.2Very low81 Ų81132.1 Ų132.167%0.66979%0.793SS**  cis-162.9133.20.500000109.8
725Q30.4Very low32.5Very low198 Ų198134.1 Ų134.193%0.92580%0.803SS**  70.3104.791.7-161.9-176.29.500118.2
726G30.6Very low32.5Very low73 Ų73130 Ų13075%0.75380%0.802SS**  trans131.613816000000114.3
727K31.9Very low32.4Very low209 Ų209128.5 Ų128.591%0.90981%0.805SS**  cis-145.5158.22.3-78.7-179.3178.2173.10112.9
728R28.9Very low31.8Very low236 Ų236132.3 Ų132.389%0.89181%0.813SS**  trans-32.9160.3153.9-80.3-175.7179.4172.6-1.4116.4
729S34.9Very low31.9Very low103 Ų103131.7 Ų131.772%0.7282%0.815SS**  cis-173.6-155.7-8.5560000111.1
730P53.1Low32.1Very low100 Ų100136 Ų13665%0.64982%0.821SS**  -133.6-146.2-116.443.8-20.3000115.5
731F30.3Very low32Very low200 Ų200138.2 Ų138.288%0.87783%0.831SS**  trans84.7139.5-179.5-68.6-89.7000115.3
732A30.7Very low31.9Very low95 Ų95139.4 Ų139.479%0.78583%0.832SS**  cis-154.9178-9.200000111.2
733A30.6Very low31.9Very low103 Ų103141.1 Ų141.185%0.85184%0.837SS**  trans-127.9152.4-169.900000115.4
734A30Very low31.7Very low100 Ų100135.9 Ų135.983%0.82683%0.834SS**  trans-158.5130.9147.700000107.1
735A32.6Very low31.7Very low105 Ų105135.8 Ų135.887%0.86883%0.833SS**  cis96.5109.417.700000115.9
736G30Very low31.5Very low89 Ų89135 Ų13592%0.91883%0.828SS**  trans117128154.300000117
737G28.8Very low31.5Very low82 Ų82139.8 Ų139.885%0.84584%0.836SS**  trans144.565.8160.400000119.2
738Q32.7Very low31.4Very low189 Ų189134.7 Ų134.788%0.88383%0.827SS**  trans-134.7141.1155.4-84.1-166-0.600109.9
739T32.5Very low31.3Very low146 Ų146128.2 Ų128.290%0.89682%0.817SS**  trans-148.7131161.444.60000111.2
740H32.8Very low31Very low175 Ų175131.3 Ų131.381%0.8182%0.821SS**  trans-76.6162.1173.2-116.8-112.8000112.3
741S27.5Very low30.5Very low127 Ų127131.4 Ų131.489%0.88882%0.822SS**  trans-156.8147.2151.1-81.50000110.5
742Q29.7Very low30.6Very low179 Ų179127.9 Ų127.984%0.83681%0.808SS**  trans-138.7132-171.8179.7-172.553.500109.8
743V28.1Very low30.4Very low147 Ų147133 Ų13389%0.89181%0.808SS**  trans-141156171-178.90000108
744S29.4Very low30.2Very low117 Ų117133 Ų13382%0.81880%0.802SS**  trans-135.4179.7-169.6-168.60000112.6
745A29.9Very low30.8Very low78 Ų78133 Ų13365%0.64579%0.794SS**  trans94.2107.5165.500000120.7
746H27.7Very low30.6Very low181 Ų181136.5 Ų136.584%0.83879%0.792SS**  trans54.2132134.2-65.4-77.8000123.7
747L30.2Very low30.6Very low175 Ų175139.7 Ų139.792%0.91679%0.787SS**  -174.7164.8108.3-102163.9000115.4
748S28.3Very low30.7Very low102 Ų102140.4 Ų140.471%0.71379%0.785SS**  trans77.5111.9178.4-151.90000116.8
749S28.2Very low30.8Very low99 Ų99136.8 Ų136.869%0.69278%0.78SS**  cis80.9102.332.681.60000114.9
750Q27.6Very low31.2Very low168 Ų168135.4 Ų135.479%0.78577%0.774SS**  72.8152.577.1-102.8-157.4-23.800115.2
751P43.5Very low31.6Very low103 Ų103132.8 Ų132.867%0.66977%0.773SS**  cis-130.615135.538.5-20.2000117.9
752Q31.1Very low32.2Very low125 Ų125135.2 Ų135.258%0.58477%0.769SS**  62141.5110.8-51.6180-74.900117.6
753Y26.5Very low33Very low204 Ų204131.7 Ų131.780%0.876%0.762SS**  cis-148.6178.633.2-106.5-82000113.6
754S28.1Very low33.9Very low103 Ų103131 Ų13172%0.7275%0.753SS**  trans-131.6-176.2-17866.80000110.5
755P42Very low35.1Very low100 Ų100131.1 Ų131.165%0.64975%0.749SS**  cis-150177.528.646.1-25.3000120.4
756Q27.3Very low36.2Very low178 Ų178133.3 Ų133.383%0.83275%0.75SS**  trans63.6154.6157.6-76.5174.9-23.700118.6
757L30.3Very low37.7Very low156 Ų156128.3 Ų128.382%0.81774%0.736SS**  cis-129.7172.110.5-157.675.6000111
758A31.5Very low39.1Very low97 Ų97123.1 Ų123.180%0.80272%0.718SS**  trans-107.9152.6-177.400000114
759S33.8Very low40.8Very low112 Ų112123.6 Ų123.678%0.78371%0.712SS**  trans-132.4152.217148.60000110.6
760P42.6Very low42.7Very low117 Ų117125 Ų12576%0.7671%0.708SS**PPolyproline II helixtrans-81.6161.6-172.333.6-36.6000113.6
761P40.6Very low44.5Very low121 Ų121119.8 Ų119.879%0.78669%0.693SS**PPolyproline II helixtrans-70.1161.1171.831.3-35.8000112.6
762H39.8Very low45.6Very low177 Ų177117.1 Ų117.182%0.81968%0.68SS**PPolyproline II helixtrans-63.2145174-114.8-104.6000111.8
763P47.3Very low47.4Very low106 Ų106114.8 Ų114.869%0.68867%0.674SS**PPolyproline II helixtrans-79.1146.9165.433.5-33.2000111.1T765P763-T765 PolarHBondContact O-N 3.36Å
764D45.8Very low49.1Very low131 Ų131109.5 Ų109.570%0.70166%0.659SS**PPolyproline II helixtrans-65.7128.9176.8-55-75.3000111.4D766D764-D766 VanDerWaalsContact C-N 3.27Å; D764-D766 PolarHBondContact O-N 2.92Å
765T54.1Low50.8Low120 Ų120108.3 Ų108.374%0.73665%0.651SS**Hα-helixtrans-69.7-23.2-174.944.40000113.7P763 A768 L769P763-T765 PolarHBondContact O-N 3.36Å; T765-A768 PolarHBondContact O-N 2.8Å; T765-L769 PolarHBondContact O-N 3Å
766D53Low52.1Low125 Ų125109.7 Ų109.767%0.66865%0.652SS**Hα-helixtrans-64.3-49.7179.7-110.4-14000112D764 A768 L769 E770D764-D766 VanDerWaalsContact C-N 3.27Å; D764-D766 PolarHBondContact O-N 2.92Å; D766-A768 PolarHBondContact O-N 2.78Å; D766-L769 PolarHBondContact O-N 2.76Å; D766-E770 PolarHBondContact O-N 3.49Å
767S59.9Low53.6Low76 Ų76107.8 Ų107.853%0.53165%0.647SS.*Hα-helixtrans-65.9-24.2-179.4-59.40000113.1A771S767-A771 WeakPolarHBondContact O-CB 3.44Å; S767-A771 PolarHBondContact O-N 2.91Å
768A59.3Low54.9Low66 Ų66108.8 Ų108.855%0.54565%0.647SS.*Hα-helixtrans-72.8-37.9172.200000112T765 D766 A772T765-A768 PolarHBondContact O-N 2.8Å; D766-A768 PolarHBondContact O-N 2.78Å; A768-A772 WeakPolarHBondContact O-CB 3.11Å; A768-A772 PolarHBondContact O-N 3Å
769L63.8Low55.7Low112 Ų112112.4 Ų112.459%0.58666%0.664SS**Hα-helixtrans-70.9-43.8175.7-174.861.7000111.4T765 D766 A771 A772 V773T765-L769 PolarHBondContact O-N 3Å; D766-L769 PolarHBondContact O-N 2.76Å; L769-A771 PolarHBondContact O-N 3.01Å; L769-A772 PolarHBondContact O-N 3.14Å; L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 3.03Å
770E68.6Low56.8Low128 Ų128112.4 Ų112.460%0.59866%0.658SS**Hα-helixtrans-61.6-42175.2-172.5176.9-147.600111.6D766 V773 N774D766-E770 PolarHBondContact O-N 3.49Å; E770-V773 PolarHBondContact O-N 3.15Å; E770-N774 WeakPolarHBondContact O-CB 3.38Å; E770-N774 PolarHBondContact O-N 2.82Å; E770-N774 PolarHBondContact O-ND2 3.21Å
771A66.3Low57.5Low58 Ų58112.2 Ų112.248%0.47965%0.653SS.*Hα-helixtrans-64.1-39.1173.700000112.6S767 L769 S775S767-A771 WeakPolarHBondContact O-CB 3.44Å; S767-A771 PolarHBondContact O-N 2.91Å; L769-A771 PolarHBondContact O-N 3.01Å; A771-S775 WeakPolarHBondContact O-CB 3.45Å; A771-S775 PolarHBondContact O-N 3.46Å
772A66.3Low58.5Low47 Ų47111.7 Ų111.739%0.38865%0.646SS.*Hα-helixtrans-66.9-42.7177.100000112.3A768 L769 S775 I776A768-A772 WeakPolarHBondContact O-CB 3.11Å; A768-A772 PolarHBondContact O-N 3Å; L769-A772 PolarHBondContact O-N 3.14Å; A772-S775 PolarHBondContact O-N 3.5Å; A772-I776 WeakPolarHBondContact O-CG1 3.4Å; A772-I776 PolarHBondContact O-N 3.04Å; A772-I776 VanDerWaalsContact O-N 3.14Å
773V68.8Low59.6Low77 Ų77107.8 Ų107.847%0.46764%0.636SS.*Hα-helixtrans-62.9-44.6176.2170.30000111L769 E770 S775 I776 L777L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 3.03Å; E770-V773 PolarHBondContact O-N 3.15Å; V773-S775 PolarHBondContact O-N 3.47Å; V773-I776 PolarHBondContact O-N 3.41Å; V773-L777 HydrophobicContact CG1-CD1 4.3Å; V773-L777 PolarHBondContact O-N 2.85Å
774N62.6Low60.3Low92 Ų92107.9 Ų107.949%0.49263%0.632SS.*Hα-helixtrans-63.6-39.8175.6-75.9-63.2000112.2E770 I776 L777 E778E770-N774 WeakPolarHBondContact O-CB 3.38Å; E770-N774 PolarHBondContact O-N 2.82Å; E770-N774 PolarHBondContact O-ND2 3.21Å; N774-I776 PolarHBondContact O-N 2.9Å; N774-L777 PolarHBondContact O-N 3.32Å; N774-L777 VanDerWaalsContact O-N 3.13Å; N774-E778 PolarHBondContact O-N 2.85Å
775S64.2Low61.3Low78 Ų78106.4 Ų106.455%0.54563%0.628SS.*Hα-helixtrans-66.7-20.1176.8-173.20000114.3A771 A772 V773A771-S775 WeakPolarHBondContact O-CB 3.45Å; A771-S775 PolarHBondContact O-N 3.46Å; A772-S775 PolarHBondContact O-N 3.5Å; V773-S775 PolarHBondContact O-N 3.47Å
776I67.4Low61.8Low130 Ų130105.4 Ų105.467%0.66762%0.62SS**Hα-helixtrans-85.1-21.7175.4-70.6164.9000111.4A772 V773 N774A772-I776 WeakPolarHBondContact O-CG1 3.4Å; A772-I776 PolarHBondContact O-N 3.04Å; A772-I776 VanDerWaalsContact O-N 3.14Å; V773-I776 PolarHBondContact O-N 3.41Å; N774-I776 PolarHBondContact O-N 2.9Å
777L60.4Low62.5Low137 Ų137103.9 Ų103.972%0.71762%0.616SS**THydrogen-bonded Turntrans-89-3.8177.8-69.4168.4000113.8V773 N774V773-L777 HydrophobicContact CG1-CD1 4.3Å; V773-L777 PolarHBondContact O-N 2.85Å; N774-L777 PolarHBondContact O-N 3.32Å; N774-L777 VanDerWaalsContact O-N 3.13Å
778E57.2Low62.7Low178 Ų178106.3 Ų106.383%0.83262%0.623SS**THydrogen-bonded Turntrans-109.819.1178.3-152.2173.9-164.900112.8N774N774-E778 PolarHBondContact O-N 2.85Å
779C47.5Very low63Low172 Ų172109.9 Ų109.9100%1.16263%0.63SS**  trans-124.90176.8-73.40000112

Retrieved 779 of 779 residues in 1980.5 ms (Link to these results)