A0A087WPQ4_MOUSE Loading...

Low density lipoprotein-related protein 1B

AlphaFold DB , UniProt , Accession A0A087WPQ4, Species MOUSE (Mus musculus, Mouse), Gene Lrp1b, Length 157 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
1V42.4Very low66.9Low185 Ų185140.1 Ų140.1100%1.12176%0.758SS**  0102.60-179.10000107.7S3V1-S3 PolarHBondContact O-N 2.69Å
2N51Low68Low169 Ų169139.3 Ų139.390%0.90474%0.736SS**  trans-80.1101.1-179.2-75.7-30.7000109A4N2-A4 PolarHBondContact O-N 3.11Å
3S57.3Low69Low110 Ų110132.9 Ų132.977%0.76971%0.71SS**  trans-70.1100.3171.7-59.70000108.8V1 K5V1-S3 PolarHBondContact O-N 2.69Å; S3-K5 PolarHBondContact O-N 2.83Å
4A62.3Low69.6Low92 Ų92125.7 Ų125.776%0.7668%0.683SS**  trans-59.5105.6172.100000108.9N2 R6N2-A4 PolarHBondContact O-N 3.11Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 2.86Å
5K64.5Low70Confident205 Ų205126.8 Ų126.889%0.89170%0.696SS**  trans-70.290.2177.6-138.1173.8-170.1175.60107.7S3 K7S3-K5 PolarHBondContact O-N 2.83Å; K5-K7 PolarHBondContact O-N 3.35Å
6R69.8Low70.6Confident217 Ų217129.3 Ų129.382%0.81970%0.701SS**PPolyproline II helixtrans-62.8128.5170-71.3-160.3-126.5-169.13.7107.9A4 C8A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 2.86Å; R6-C8 PolarHBondContact O-N 3.21Å
7K76.5Confident71.2Confident210 Ų210124.2 Ų124.291%0.91368%0.676SS**PPolyproline II helixtrans-70.9118.1172.2-73.3178.7178.7174.80107.9K5K5-K7 PolarHBondContact O-N 3.35Å
8C79.5Confident71.9Confident34 Ų34125.9 Ų125.923%0.2368%0.679CS.*PPolyproline II helixtrans-70.8156.9170.2-60.90000110.7R6 W12 G14 C17R6-C8 PolarHBondContact O-N 3.21Å; C8-W12 HydrophobicContact CB-CB 4.3Å; C8-W12 VanDerWaalsContact CB-O 3.24Å; C8-W12 WeakPolarHBondContact CB-O 3.48Å; C8-G14 PolarHBondContact SG-O 3.4Å; C8-C17 WeakPolarHBondContact CA-SG 3.38Å; C8-C17 HydrophobicContact CB-CB 3.79Å; C8-C17 WeakPolarHBondContact CB-SG 3.37Å; C8-C17 WeakPolarHBondContact SG-CA 3.48Å; C8-C17 WeakPolarHBondContact SG-CB 3.43Å; C8-C17 CovalentContact SG-SG 2.03Å; C8-C17 PolarHBondContact SG-SG 2.78Å
9S77.9Confident72.3Confident78 Ų78128.5 Ų128.555%0.54568%0.678SS.*PPolyproline II helixtrans-59155.1170.3-1790000110.8N11 W12S9-N11 PolarHBondContact O-N 2.83Å; S9-W12 PolarHBondContact O-N 3.05Å; S9-W12 VanDerWaalsContact O-O 3.13Å
10T73.1Confident72.7Confident129 Ų129126.9 Ų126.979%0.79168%0.676SS**THydrogen-bonded Turntrans-56.1-18.5-172.552.50000114.7
11N81.3Confident72.9Confident112 Ų112122 Ų12260%0.59965%0.653SS**THydrogen-bonded Turntrans-99.61.7179.3-60.6-53.7000114.4S9 A21S9-N11 PolarHBondContact O-N 2.83Å; N11-A21 PolarHBondContact O-N 3.26Å
12W80.4Confident74.2Confident130 Ų130118.7 Ų118.749%0.49264%0.635SS.*EExtended strand (participates in β ladder)trans-132.9148.3-175.4-66.888.9000112.2C8 S9 C17 R19C8-W12 HydrophobicContact CB-CB 4.3Å; C8-W12 VanDerWaalsContact CB-O 3.24Å; C8-W12 WeakPolarHBondContact CB-O 3.48Å; S9-W12 PolarHBondContact O-N 3.05Å; S9-W12 VanDerWaalsContact O-O 3.13Å; W12-C17 HydrophobicContact CB-CB 4.11Å; W12-R19 CarbonylContact C-O 3.45Å; W12-R19 WeakPolarHBondContact CA-O 3.3Å
13S80.5Confident74.8Confident57 Ų57120.3 Ų120.340%0.39963%0.634SS.*EExtended strand (participates in β ladder)trans-141.1155.6-174.6-175.70000111.2R19S13-R19 PolarHBondContact N-O 3.25Å; S13-R19 PolarHBondContact O-N 3.24Å; S13-R19 VanDerWaalsContact O-N 3.07Å; S13-R19 VanDerWaalsContact O-O 3.13Å
14G77.6Confident75Confident32 Ų32119.6 Ų119.633%0.3363%0.629SS.*SBendtrans117.5171.3-178.600000113.5C8 Q16 C17C8-G14 PolarHBondContact SG-O 3.4Å; G14-Q16 VanDerWaalsContact C-N 3.25Å; G14-Q16 PolarHBondContact O-N 2.86Å; G14-C17 PolarHBondContact O-N 2.98Å
15T75.8Confident74.8Confident142 Ų142118.2 Ų118.287%0.87161%0.614SS**SBendtrans-67.6-26.1179.148.80000112.9
16Q79.4Confident74.4Confident167 Ų167115.9 Ų115.978%0.7860%0.604SS**SBendtrans-121.815.8175.4-60.6-163.35600113.4G14 E18G14-Q16 VanDerWaalsContact C-N 3.25Å; G14-Q16 PolarHBondContact O-N 2.86Å; Q16-E18 VanDerWaalsContact C-N 3.3Å; Q16-E18 PolarHBondContact O-N 3.49Å
17C81.6Confident73.9Confident42 Ų42109.8 Ų109.828%0.28460%0.595SS.*SBendtrans59.733.9-178.7-42.50000114.8C8 W12 G14C8-C17 WeakPolarHBondContact CA-SG 3.38Å; C8-C17 HydrophobicContact CB-CB 3.79Å; C8-C17 WeakPolarHBondContact CB-SG 3.37Å; C8-C17 WeakPolarHBondContact SG-CA 3.48Å; C8-C17 WeakPolarHBondContact SG-CB 3.43Å; C8-C17 CovalentContact SG-SG 2.03Å; C8-C17 PolarHBondContact SG-SG 2.78Å; W12-C17 HydrophobicContact CB-CB 4.11Å; G14-C17 PolarHBondContact O-N 2.98Å
18E83.5Confident73.2Confident156 Ų156106.4 Ų106.473%0.72958%0.582SS**  trans-84-20.7-175.9-164.9-177.6170.200113.4Q16Q16-E18 VanDerWaalsContact C-N 3.3Å; Q16-E18 PolarHBondContact O-N 3.49Å
19R80Confident72.5Confident174 Ų174111.2 Ų111.266%0.65760%0.601SS**EExtended strand (participates in β ladder)trans-103.1137.5-178-59.8-173.4-172.4110.14.3110.3W12 S13 A21W12-R19 CarbonylContact C-O 3.45Å; W12-R19 WeakPolarHBondContact CA-O 3.3Å; S13-R19 PolarHBondContact N-O 3.25Å; S13-R19 PolarHBondContact O-N 3.24Å; S13-R19 VanDerWaalsContact O-N 3.07Å; S13-R19 VanDerWaalsContact O-O 3.13Å; R19-A21 PolarHBondContact O-N 3.04Å
20P79.2Confident72.2Confident97 Ų97112.8 Ų112.863%0.6360%0.602SS**EExtended strand (participates in β ladder)trans-59.9134.6168.322.3-28.7000109.6
21A77.3Confident72.3Confident25 Ų25109.7 Ų109.721%0.20759%0.586CS.*PPolyproline II helixtrans-64.2135178.700000109.1N11 R19 K23N11-A21 PolarHBondContact O-N 3.26Å; R19-A21 PolarHBondContact O-N 3.04Å; A21-K23 PolarHBondContact O-N 3.41Å; A21-K23 VanDerWaalsContact O-N 3.1Å
22P70.8Confident72.2Confident114 Ų114109 Ų10974%0.7459%0.586SS**PPolyproline II helixtrans-57.2122.6176.422.3-30.7000108.6S24P22-S24 PolarHBondContact O-N 2.88Å
23K63.3Low72.3Confident203 Ų203111.8 Ų111.888%0.88360%0.596SS**  trans-59.8114.8175-65.3-173.4-178.4-179.40106.9A21 S25A21-K23 PolarHBondContact O-N 3.41Å; A21-K23 VanDerWaalsContact O-N 3.1Å; K23-S25 PolarHBondContact O-N 3.26Å
24S61.2Low72.5Confident95 Ų95111.1 Ų111.166%0.66459%0.591SS**  trans-52.1109.3177.7170.90000109.2P22 K26P22-S24 PolarHBondContact O-N 2.88Å; S24-K26 PolarHBondContact O-N 2.99Å; S24-K26 WeakPolarHBondContact OG-CB 3.27Å
25S56.8Low73Confident64 Ų64114.6 Ų114.645%0.44860%0.601SS.*THydrogen-bonded Turntrans-65.110.4-179.954.90000113.9K23 S27 E28 H29K23-S25 PolarHBondContact O-N 3.26Å; S25-S27 VanDerWaalsContact C-N 3.25Å; S25-S27 PolarHBondContact O-N 2.8Å; S25-E28 PolarHBondContact O-N 3.38Å; S25-H29 PolarHBondContact O-CD2 3.15Å; S25-H29 PolarHBondContact O-N 3.2Å
26K57.9Low73.6Confident156 Ų156111 Ų11168%0.67859%0.586SS**Hα-helixtrans-63.7-29.6-174.4-155.3171.5-173.7176.50112.2S24 I30S24-K26 PolarHBondContact O-N 2.99Å; S24-K26 WeakPolarHBondContact OG-CB 3.27Å; K26-I30 WeakPolarHBondContact O-CD1 3.41Å; K26-I30 VanDerWaalsContact O-CG1 3.23Å; K26-I30 WeakPolarHBondContact O-CG1 3.41Å
27S58.9Low74.1Confident88 Ų88107.1 Ų107.162%0.61557%0.57SS**Hα-helixtrans-78.7-38.9177.4700000113.1S25 I30 S31S25-S27 VanDerWaalsContact C-N 3.25Å; S25-S27 PolarHBondContact O-N 2.8Å; S27-I30 PolarHBondContact O-N 3.28Å; S27-S31 PolarHBondContact O-N 2.98Å; S27-S31 VanDerWaalsContact O-N 3.17Å; S27-S31 PolarHBondContact O-OG 3.32Å
28E61.3Low74.6Confident140 Ų140109.4 Ų109.465%0.65458%0.578SS**Hα-helixtrans-66.8-41.1178.1-83.2-172149.100112.1S25 I30 S31 T32S25-E28 PolarHBondContact O-N 3.38Å; E28-I30 VanDerWaalsContact C-N 3.25Å; E28-I30 PolarHBondContact O-N 3.07Å; E28-S31 PolarHBondContact O-N 3.05Å; E28-T32 PolarHBondContact O-N 2.81Å; E28-T32 PolarHBondContact O-OG1 3.49Å
29H64.1Low75.1Confident134 Ų134106.1 Ų106.162%0.6257%0.569SS**Hα-helixtrans-62.2-31.9176.8-84.4-74.6000113.1S25 R33S25-H29 PolarHBondContact O-CD2 3.15Å; S25-H29 PolarHBondContact O-N 3.2Å; H29-R33 WeakPolarHBondContact O-CB 3.01Å; H29-R33 PolarHBondContact O-N 2.71Å
30I72.9Confident75.8Confident111 Ų111101.3 Ų101.357%0.56956%0.56SS**Hα-helixtrans-74.3-44.9178.1-65.8166.6000110.2K26 S27 E28 S34K26-I30 WeakPolarHBondContact O-CD1 3.41Å; K26-I30 VanDerWaalsContact O-CG1 3.23Å; K26-I30 WeakPolarHBondContact O-CG1 3.41Å; S27-I30 PolarHBondContact O-N 3.28Å; E28-I30 VanDerWaalsContact C-N 3.25Å; E28-I30 PolarHBondContact O-N 3.07Å; I30-S34 WeakPolarHBondContact O-CB 3.27Å; I30-S34 PolarHBondContact O-N 2.93Å; I30-S34 PolarHBondContact O-OG 2.83Å
31S75.4Confident76.6Confident65 Ų65101.4 Ų101.446%0.45556%0.555SS.*Hα-helixtrans-65.4-45.8179.5-65.20000112.4S27 E28 S34 I35S27-S31 PolarHBondContact O-N 2.98Å; S27-S31 VanDerWaalsContact O-N 3.17Å; S27-S31 PolarHBondContact O-OG 3.32Å; E28-S31 PolarHBondContact O-N 3.05Å; S31-S34 WeakPolarHBondContact CA-OG 3.23Å; S31-S34 PolarHBondContact O-N 2.98Å; S31-S34 PolarHBondContact O-OG 3.36Å; S31-I35 WeakPolarHBondContact O-CB 3.26Å; S31-I35 WeakPolarHBondContact O-CD1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.42Å; S31-I35 PolarHBondContact O-N 3.38Å
32T79.1Confident77.5Confident98 Ų98104.2 Ų104.260%0.60157%0.569SS**Hα-helixtrans-69.8-42.1-179.1-52.60000112.1E28 I35 A36E28-T32 PolarHBondContact O-N 2.81Å; E28-T32 PolarHBondContact O-OG1 3.49Å; T32-I35 PolarHBondContact O-N 2.77Å; T32-A36 WeakPolarHBondContact O-CB 3.37Å; T32-A36 PolarHBondContact O-N 2.74Å
33R82.8Confident78.7Confident188 Ų188103.9 Ų103.971%0.70956%0.561SS**Hα-helixtrans-67.1-39176.7-174.9177.6178.3-176.50111.8H29 I37H29-R33 WeakPolarHBondContact O-CB 3.01Å; H29-R33 PolarHBondContact O-N 2.71Å; R33-I37 HydrophobicContact CG-CD1 3.95Å; R33-I37 WeakPolarHBondContact O-CD1 3.43Å; R33-I37 VanDerWaalsContact O-CG1 3.24Å; R33-I37 WeakPolarHBondContact O-CG1 3.42Å; R33-I37 PolarHBondContact O-N 3.25Å
34S83.9Confident80.3Confident42 Ų4299.1 Ų99.129%0.29454%0.544SS..Hα-helixtrans-66.8-43.9176.357.20000111.3I30 S31 A36 I37 I38I30-S34 WeakPolarHBondContact O-CB 3.27Å; I30-S34 PolarHBondContact O-N 2.93Å; I30-S34 PolarHBondContact O-OG 2.83Å; S31-S34 WeakPolarHBondContact CA-OG 3.23Å; S31-S34 PolarHBondContact O-N 2.98Å; S31-S34 PolarHBondContact O-OG 3.36Å; S34-A36 PolarHBondContact O-N 3.36Å; S34-I37 PolarHBondContact O-N 3.28Å; S34-I37 VanDerWaalsContact O-N 3.12Å; S34-I38 VanDerWaalsContact O-CB 3.28Å; S34-I38 WeakPolarHBondContact O-CB 3.33Å; S34-I38 WeakPolarHBondContact O-CD1 3.11Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.06Å
35I88.2Confident82Confident105 Ų10598.6 Ų98.654%0.53854%0.537SS..Hα-helixtrans-60.2-46176.1-67.3162.9000111.2S31 T32 I37 I38 V39S31-I35 WeakPolarHBondContact O-CB 3.26Å; S31-I35 WeakPolarHBondContact O-CD1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.42Å; S31-I35 PolarHBondContact O-N 3.38Å; T32-I35 PolarHBondContact O-N 2.77Å; I35-I37 PolarHBondContact O-N 3.27Å; I35-I37 VanDerWaalsContact O-N 3.11Å; I35-I38 PolarHBondContact O-N 2.81Å; I35-V39 HydrophobicContact CG2-CG2 3.97Å; I35-V39 WeakPolarHBondContact O-CB 3.22Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 2.92Å
36A87.4Confident83.9Confident67 Ų6798.9 Ų98.955%0.55454%0.536SS*.Hα-helixtrans-61.9-19.6178.700000113.8T32 S34 P40T32-A36 WeakPolarHBondContact O-CB 3.37Å; T32-A36 PolarHBondContact O-N 2.74Å; S34-A36 PolarHBondContact O-N 3.36Å; A36-P40 WeakPolarHBondContact O-CD 3.22Å; A36-P40 WeakPolarHBondContact O-CG 3.18Å
37I90.1Very high85.7Confident85 Ų8596.2 Ų96.244%0.43653%0.529SS..Hα-helixtrans-98.5-43.9177.2-65.8167.7000110.9R33 S34 I35 V39 P40 L41R33-I37 HydrophobicContact CG-CD1 3.95Å; R33-I37 WeakPolarHBondContact O-CD1 3.43Å; R33-I37 VanDerWaalsContact O-CG1 3.24Å; R33-I37 WeakPolarHBondContact O-CG1 3.42Å; R33-I37 PolarHBondContact O-N 3.25Å; S34-I37 PolarHBondContact O-N 3.28Å; S34-I37 VanDerWaalsContact O-N 3.12Å; I35-I37 PolarHBondContact O-N 3.27Å; I35-I37 VanDerWaalsContact O-N 3.11Å; I37-V39 PolarHBondContact O-N 2.94Å; I37-P40 WeakPolarHBondContact O-CD 3.25Å; I37-L41 HydrophobicContact CG2-CD1 3.62Å; I37-L41 HydrophobicContact CG2-CG 4.3Å; I37-L41 WeakPolarHBondContact O-CB 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.4Å; I37-L41 PolarHBondContact O-N 3.03Å; I37-L41 VanDerWaalsContact O-N 3.14Å
38I93.1Very high87.5Confident91 Ų9195.5 Ų95.547%0.46752%0.52SS..Hα-helixtrans-64.2-43.5-177.2-69164.4000110.5S34 I35 L41 V42S34-I38 VanDerWaalsContact O-CB 3.28Å; S34-I38 WeakPolarHBondContact O-CB 3.33Å; S34-I38 WeakPolarHBondContact O-CD1 3.11Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.06Å; I35-I38 PolarHBondContact O-N 2.81Å; I38-L41 PolarHBondContact O-N 3.27Å; I38-V42 HydrophobicContact CG2-CG2 4.03Å; I38-V42 WeakPolarHBondContact O-CB 3.13Å; I38-V42 VanDerWaalsContact O-CG2 3.3Å; I38-V42 WeakPolarHBondContact O-CG2 3.28Å; I38-V42 PolarHBondContact O-N 2.86Å
39V93.6Very high89.2Confident86 Ų8691.9 Ų91.952%0.52151%0.508SS..Hα-helixtrans-61.9-51.2-177.5172.70000111.6I35 I37 L41 V42 L43I35-V39 HydrophobicContact CG2-CG2 3.97Å; I35-V39 WeakPolarHBondContact O-CB 3.22Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 2.92Å; I37-V39 PolarHBondContact O-N 2.94Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3Å; V39-V42 PolarHBondContact O-N 3.41Å; V39-L43 WeakPolarHBondContact O-CB 3.28Å; V39-L43 PolarHBondContact O-N 2.97Å
40P94.9Very high90.7Very high74 Ų7489.7 Ų89.748%0.48150%0.504SS..Hα-helixtrans-59.9-39.5173.5-26.535.1000114A36 I37 L43 L44A36-P40 WeakPolarHBondContact O-CD 3.22Å; A36-P40 WeakPolarHBondContact O-CG 3.18Å; I37-P40 WeakPolarHBondContact O-CD 3.25Å; P40-L43 PolarHBondContact O-N 2.93Å; P40-L44 WeakPolarHBondContact O-CB 3.19Å; P40-L44 PolarHBondContact O-N 2.78Å
41L95.3Very high91.8Very high98 Ų9889.2 Ų89.251%0.51350%0.502SS..Hα-helixtrans-65.8-44.6-179.8-72.6175.7000112.2I37 I38 V39 L43 L44 V45I37-L41 HydrophobicContact CG2-CD1 3.62Å; I37-L41 HydrophobicContact CG2-CG 4.3Å; I37-L41 WeakPolarHBondContact O-CB 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.4Å; I37-L41 PolarHBondContact O-N 3.03Å; I37-L41 VanDerWaalsContact O-N 3.14Å; I38-L41 PolarHBondContact O-N 3.27Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-L44 PolarHBondContact O-N 3.28Å; L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.37Å; L41-V45 PolarHBondContact O-N 3.43Å
42V96.3Very high92.8Very high85 Ų8589.9 Ų89.952%0.51550%0.503SS..Hα-helixtrans-65.2-40.6177.4173.90000110.6I38 V39 V45 T46I38-V42 HydrophobicContact CG2-CG2 4.03Å; I38-V42 WeakPolarHBondContact O-CB 3.13Å; I38-V42 VanDerWaalsContact O-CG2 3.3Å; I38-V42 WeakPolarHBondContact O-CG2 3.28Å; I38-V42 PolarHBondContact O-N 2.86Å; V39-V42 PolarHBondContact O-N 3.41Å; V42-V45 PolarHBondContact O-N 3.06Å; V42-T46 HydrophobicContact CG1-CG2 4.38Å; V42-T46 WeakPolarHBondContact O-CB 3.47Å; V42-T46 VanDerWaalsContact O-CG2 3.28Å; V42-T46 WeakPolarHBondContact O-CG2 3.35Å; V42-T46 PolarHBondContact O-N 3.47Å; V42-T46 PolarHBondContact O-OG1 3.17Å
43L96Very high93.5Very high107 Ų10790.1 Ų90.156%0.5650%0.5SS*.Hα-helixtrans-63.4-42.6176-167.1150.7000111.5V39 P40 L41 T46 L47V39-L43 WeakPolarHBondContact O-CB 3.28Å; V39-L43 PolarHBondContact O-N 2.97Å; P40-L43 PolarHBondContact O-N 2.93Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L43-T46 WeakPolarHBondContact CA-OG1 3.2Å; L43-T46 PolarHBondContact O-N 2.81Å; L43-T46 PolarHBondContact O-OG1 3.43Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 PolarHBondContact O-N 3.08Å
44L96.3Very high94Very high102 Ų10282.7 Ų82.753%0.53448%0.482SS..Hα-helixtrans-63.4-47.7176.7-168.9161.9000111.2P40 L41 T46 L47 V48P40-L44 WeakPolarHBondContact O-CB 3.19Å; P40-L44 PolarHBondContact O-N 2.78Å; L41-L44 PolarHBondContact O-N 3.28Å; L44-T46 PolarHBondContact O-N 2.85Å; L44-L47 PolarHBondContact O-N 2.86Å; L44-V48 HydrophobicContact CD2-CG2 3.79Å; L44-V48 WeakPolarHBondContact O-CG2 2.91Å; L44-V48 PolarHBondContact O-N 3.25Å
45V97.1Very high94.3Very high84 Ų8485.5 Ų85.551%0.50949%0.493SS..Hα-helixtrans-62.1-42.9179.4171.90000111.1L41 V42 V48 T49L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.37Å; L41-V45 PolarHBondContact O-N 3.43Å; V42-V45 PolarHBondContact O-N 3.06Å; V45-V48 PolarHBondContact O-N 3.38Å; V45-T49 HydrophobicContact CG1-CG2 4.2Å; V45-T49 WeakPolarHBondContact O-CB 3.23Å; V45-T49 WeakPolarHBondContact O-CG2 3.32Å; V45-T49 PolarHBondContact O-N 3.03Å; V45-T49 PolarHBondContact O-OG1 3.47Å
46T96.3Very high94.4Very high71 Ų7184.7 Ų84.744%0.43649%0.493SS..Hα-helixtrans-65.8-39.5176.752.80000112.2V42 L43 L44 T49 T50V42-T46 HydrophobicContact CG1-CG2 4.38Å; V42-T46 WeakPolarHBondContact O-CB 3.47Å; V42-T46 VanDerWaalsContact O-CG2 3.28Å; V42-T46 WeakPolarHBondContact O-CG2 3.35Å; V42-T46 PolarHBondContact O-N 3.47Å; V42-T46 PolarHBondContact O-OG1 3.17Å; L43-T46 WeakPolarHBondContact CA-OG1 3.2Å; L43-T46 PolarHBondContact O-N 2.81Å; L43-T46 PolarHBondContact O-OG1 3.43Å; L44-T46 PolarHBondContact O-N 2.85Å; T46-T49 WeakPolarHBondContact CA-OG1 3.19Å; T46-T49 PolarHBondContact O-OG1 2.94Å; T46-T50 WeakPolarHBondContact O-CB 3.33Å; T46-T50 VanDerWaalsContact O-CG2 3.23Å; T46-T50 WeakPolarHBondContact O-CG2 3.37Å; T46-T50 PolarHBondContact O-N 3.04Å; T46-T50 PolarHBondContact O-OG1 2.77Å
47L96.3Very high94.3Very high100 Ų10085.4 Ų85.452%0.52449%0.49SS..Hα-helixtrans-62.8-50.1174.2-164.6171.8000111.1L43 L44 T49 T50 L51L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 PolarHBondContact O-N 3.08Å; L44-L47 PolarHBondContact O-N 2.86Å; L47-T49 PolarHBondContact O-N 3.45Å; L47-T50 PolarHBondContact O-N 2.79Å; L47-T50 PolarHBondContact O-OG1 3.07Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 2.95Å
48V97.1Very high94Very high72 Ų7284.7 Ų84.744%0.43649%0.492SS..Hα-helixtrans-63.3-45-179.6173.30000111L44 V45 L51 V52L44-V48 HydrophobicContact CD2-CG2 3.79Å; L44-V48 WeakPolarHBondContact O-CG2 2.91Å; L44-V48 PolarHBondContact O-N 3.25Å; V45-V48 PolarHBondContact O-N 3.38Å; V48-L51 PolarHBondContact O-N 3.42Å; V48-V52 HydrophobicContact CG1-CG2 4.37Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.31Å; V48-V52 PolarHBondContact O-N 2.81Å
49T97Very high93.4Very high64 Ų6488 Ų8839%0.39350%0.503SS..Hα-helixtrans-64-43.917951.70000111.9V45 T46 L47 L51 V52 I53V45-T49 HydrophobicContact CG1-CG2 4.2Å; V45-T49 WeakPolarHBondContact O-CB 3.23Å; V45-T49 WeakPolarHBondContact O-CG2 3.32Å; V45-T49 PolarHBondContact O-N 3.03Å; V45-T49 PolarHBondContact O-OG1 3.47Å; T46-T49 WeakPolarHBondContact CA-OG1 3.19Å; T46-T49 PolarHBondContact O-OG1 2.94Å; L47-T49 PolarHBondContact O-N 3.45Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 2.95Å; T49-V52 PolarHBondContact O-N 3.34Å; T49-I53 WeakPolarHBondContact O-CB 3.43Å; T49-I53 WeakPolarHBondContact O-CD1 3.49Å; T49-I53 WeakPolarHBondContact O-CG1 3.3Å; T49-I53 PolarHBondContact O-N 3.31Å
50T95.4Very high92.4Very high89 Ų8993 Ų9355%0.54651%0.512SS..Hα-helixtrans-64.9-36.4175.7540000112.5T46 L47 G54T46-T50 WeakPolarHBondContact O-CB 3.33Å; T46-T50 VanDerWaalsContact O-CG2 3.23Å; T46-T50 WeakPolarHBondContact O-CG2 3.37Å; T46-T50 PolarHBondContact O-N 3.04Å; T46-T50 PolarHBondContact O-OG1 2.77Å; L47-T50 PolarHBondContact O-N 2.79Å; L47-T50 PolarHBondContact O-OG1 3.07Å; T50-G54 WeakPolarHBondContact O-CA 3.28Å; T50-G54 PolarHBondContact O-N 2.87Å
51L95.8Very high91Very high101 Ų10195.1 Ų95.153%0.52951%0.514SS..Hα-helixtrans-64.3-46.5173.4-177.266.3000111.2L47 V48 T49 G54 L55L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 2.95Å; V48-L51 PolarHBondContact O-N 3.42Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 2.95Å; L51-G54 CarbonylContact O-C 3.54Å; L51-G54 PolarHBondContact O-N 3.47Å; L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.23Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 VanDerWaalsContact O-CG 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.32Å
52V96Very high89.4Confident78 Ų7897.6 Ų97.647%0.47352%0.516SS..Hα-helixtrans-63-47.7178.1172.20000110.8V48 T49 G54 L55 V56V48-V52 HydrophobicContact CG1-CG2 4.37Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.31Å; V48-V52 PolarHBondContact O-N 2.81Å; T49-V52 PolarHBondContact O-N 3.34Å; V52-G54 VanDerWaalsContact C-N 3.3Å; V52-G54 PolarHBondContact O-N 2.91Å; V52-L55 PolarHBondContact O-N 3.03Å; V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 WeakPolarHBondContact O-CB 3.44Å; V52-V56 VanDerWaalsContact O-CG2 3.25Å; V52-V56 WeakPolarHBondContact O-CG2 3.3Å; V52-V56 PolarHBondContact O-N 2.75Å
53I95.3Very high87.5Confident104 Ų104103.3 Ų103.353%0.53353%0.529SS..Hα-helixtrans-59.4-44.8175.2-66.7163.8000109.8T49 L55 V56 V57T49-I53 WeakPolarHBondContact O-CB 3.43Å; T49-I53 WeakPolarHBondContact O-CD1 3.49Å; T49-I53 WeakPolarHBondContact O-CG1 3.3Å; T49-I53 PolarHBondContact O-N 3.31Å; I53-L55 PolarHBondContact O-N 3.47Å; I53-V56 PolarHBondContact O-N 2.92Å; I53-V57 HydrophobicContact CG2-CG2 4.17Å; I53-V57 VanDerWaalsContact O-CB 3.29Å; I53-V57 WeakPolarHBondContact O-CB 3.41Å; I53-V57 VanDerWaalsContact O-CG2 3.22Å; I53-V57 WeakPolarHBondContact O-CG2 3.47Å; I53-V57 PolarHBondContact O-N 3.32Å
54G92.9Very high85.4Confident32 Ų32102.3 Ų102.333%0.3353%0.527SS..Hα-helixtrans-59-44.4176.200000112.6T50 L51 V52 C58T50-G54 WeakPolarHBondContact O-CA 3.28Å; T50-G54 PolarHBondContact O-N 2.87Å; L51-G54 CarbonylContact O-C 3.54Å; L51-G54 PolarHBondContact O-N 3.47Å; V52-G54 VanDerWaalsContact C-N 3.3Å; V52-G54 PolarHBondContact O-N 2.91Å; G54-C58 WeakPolarHBondContact O-CB 3.45Å; G54-C58 PolarHBondContact O-N 3.03Å; G54-C58 PolarHBondContact O-SG 3.47Å
55L89.8Confident83.4Confident100 Ų100104.4 Ų104.452%0.52453%0.532SS..Hα-helixtrans-69.2-41.9177.6-71.9175.5000112.3L51 V52 I53 C58 K59L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.23Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 VanDerWaalsContact O-CG 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.32Å; V52-L55 PolarHBondContact O-N 3.03Å; I53-L55 PolarHBondContact O-N 3.47Å; L55-C58 PolarHBondContact O-N 2.73Å; L55-K59 WeakPolarHBondContact O-CB 3.39Å; L55-K59 WeakPolarHBondContact O-CG 3.11Å; L55-K59 PolarHBondContact O-N 3.07Å
56V89.9Confident81.2Confident89 Ų89105.3 Ų105.354%0.53954%0.538SS..Hα-helixtrans-65.2-46.4176.9171.20000110.3V52 I53 K59 R60V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 WeakPolarHBondContact O-CB 3.44Å; V52-V56 VanDerWaalsContact O-CG2 3.25Å; V52-V56 WeakPolarHBondContact O-CG2 3.3Å; V52-V56 PolarHBondContact O-N 2.75Å; I53-V56 PolarHBondContact O-N 2.92Å; V56-K59 PolarHBondContact O-N 2.87Å; V56-R60 VanDerWaalsContact O-CB 3.26Å; V56-R60 WeakPolarHBondContact O-CB 3.28Å; V56-R60 PolarHBondContact O-N 3.47Å
57V86.1Confident79.1Confident81 Ų81108.9 Ų108.949%0.49155%0.553SS.*Hα-helixtrans-66.4-40.9175.51740000110.6I53 K59 R60 K61I53-V57 HydrophobicContact CG2-CG2 4.17Å; I53-V57 VanDerWaalsContact O-CB 3.29Å; I53-V57 WeakPolarHBondContact O-CB 3.41Å; I53-V57 VanDerWaalsContact O-CG2 3.22Å; I53-V57 WeakPolarHBondContact O-CG2 3.47Å; I53-V57 PolarHBondContact O-N 3.32Å; V57-K59 PolarHBondContact O-N 3.33Å; V57-R60 PolarHBondContact O-N 3.48Å; V57-K61 WeakPolarHBondContact O-CA 3.34Å; V57-K61 WeakPolarHBondContact O-CB 3.35Å; V57-K61 PolarHBondContact O-N 3.31Å
58C83.1Confident76.8Confident71 Ų71113.5 Ų113.548%0.4856%0.564SS.*Hα-helixtrans-61.2-44.6174.1-77.50000111.4G54 L55 R62G54-C58 WeakPolarHBondContact O-CB 3.45Å; G54-C58 PolarHBondContact O-N 3.03Å; G54-C58 PolarHBondContact O-SG 3.47Å; L55-C58 PolarHBondContact O-N 2.73Å; C58-R62 WeakPolarHBondContact O-CB 3.38Å; C58-R62 VanDerWaalsContact O-CG 3.23Å; C58-R62 WeakPolarHBondContact O-CG 3.26Å; C58-R62 PolarHBondContact O-N 3.42Å
59K80.1Confident74.5Confident159 Ų159120.1 Ų120.169%0.69158%0.581SS**Hα-helixtrans-65.3-43.7176.2-80.8-168.8170.3179.90112L55 V56 V57 R62 R63L55-K59 WeakPolarHBondContact O-CB 3.39Å; L55-K59 WeakPolarHBondContact O-CG 3.11Å; L55-K59 PolarHBondContact O-N 3.07Å; V56-K59 PolarHBondContact O-N 2.87Å; V57-K59 PolarHBondContact O-N 3.33Å; K59-R62 PolarHBondContact O-N 3.21Å; K59-R63 WeakPolarHBondContact O-CG 3.2Å; K59-R63 PolarHBondContact O-N 3.49Å
60R72.9Confident72.1Confident192 Ų192123.8 Ų123.873%0.72559%0.593SS**Hα-helixtrans-68.6-39177.9-162.8177.7-177.2174.31.3111.8V56 V57 R63 T64V56-R60 VanDerWaalsContact O-CB 3.26Å; V56-R60 WeakPolarHBondContact O-CB 3.28Å; V56-R60 PolarHBondContact O-N 3.47Å; V57-R60 PolarHBondContact O-N 3.48Å; R60-R63 WeakPolarHBondContact O-CB 3.13Å; R60-R63 PolarHBondContact O-N 3.31Å; R60-T64 PolarHBondContact O-N 2.89Å; R60-T64 PolarHBondContact O-OG1 3.48Å
61K67.1Low69.8Low119 Ų119124.1 Ų124.152%0.51760%0.597SS.*Hα-helixtrans-68.3-35174.2-169.5171.8-172.31760111.3V57 T64 K65V57-K61 WeakPolarHBondContact O-CA 3.34Å; V57-K61 WeakPolarHBondContact O-CB 3.35Å; V57-K61 PolarHBondContact O-N 3.31Å; K61-T64 PolarHBondContact O-N 3.47Å; K61-K65 HydrophobicContact CG-CD 4.32Å; K61-K65 HydrophobicContact CG-CG 4.27Å; K61-K65 VanDerWaalsContact O-CB 3.27Å; K61-K65 WeakPolarHBondContact O-CB 3.4Å; K61-K65 VanDerWaalsContact O-CG 3.26Å; K61-K65 WeakPolarHBondContact O-CG 3.39Å; K61-K65 PolarHBondContact O-N 3.41Å
62R60.6Low67.8Low149 Ų149125 Ų12556%0.56260%0.601SS**Hα-helixtrans-61.2-46.3169.6-77.8177.6-170.9-150.34.1111.2C58 K59 T64 K65 T66C58-R62 WeakPolarHBondContact O-CB 3.38Å; C58-R62 VanDerWaalsContact O-CG 3.23Å; C58-R62 WeakPolarHBondContact O-CG 3.26Å; C58-R62 PolarHBondContact O-N 3.42Å; K59-R62 PolarHBondContact O-N 3.21Å; R62-T64 PolarHBondContact O-N 2.93Å; R62-K65 PolarHBondContact O-N 3.43Å; R62-T66 PolarHBondContact O-N 2.88Å; R62-T66 PolarHBondContact O-OG1 2.94Å; R62-T66 VanDerWaalsContact O-OG1 3.07Å
63R55.9Low65.5Low205 Ų205128.4 Ų128.477%0.77462%0.615SS**Hα-helixtrans-59.8-34.7174.8-66.8-77.7-168.3-1681.7112.7K59 R60K59-R63 WeakPolarHBondContact O-CG 3.2Å; K59-R63 PolarHBondContact O-N 3.49Å; R60-R63 WeakPolarHBondContact O-CB 3.13Å; R60-R63 PolarHBondContact O-N 3.31Å
64T53Low63.4Low86 Ų86130.5 Ų130.553%0.52863%0.627SS.*Hα-helixtrans-82.5-30.2179.3-41.90000112.6R60 K61 R62 I67R60-T64 PolarHBondContact O-N 2.89Å; R60-T64 PolarHBondContact O-OG1 3.48Å; K61-T64 PolarHBondContact O-N 3.47Å; R62-T64 PolarHBondContact O-N 2.93Å; T64-I67 CarbonylContact O-C 3.6Å; T64-I67 PolarHBondContact O-N 3.45Å
65K54.4Low61.4Low146 Ų146132.5 Ų132.564%0.63565%0.648SS**Hα-helixtrans-72.8-24.7176.8-80.6-175.8176-166.50113.1K61 R62 I67 R68K61-K65 HydrophobicContact CG-CD 4.32Å; K61-K65 HydrophobicContact CG-CG 4.27Å; K61-K65 VanDerWaalsContact O-CB 3.27Å; K61-K65 WeakPolarHBondContact O-CB 3.4Å; K61-K65 VanDerWaalsContact O-CG 3.26Å; K61-K65 WeakPolarHBondContact O-CG 3.39Å; K61-K65 PolarHBondContact O-N 3.41Å; R62-K65 PolarHBondContact O-N 3.43Å; K65-I67 PolarHBondContact O-N 3.28Å; K65-R68 PolarHBondContact O-N 2.91Å
66T50.9Low59.9Low103 Ų103130.8 Ų130.863%0.63265%0.654SS**THydrogen-bonded Turntrans-70.9-17.1172-430000112.3R62R62-T66 PolarHBondContact O-N 2.88Å; R62-T66 PolarHBondContact O-OG1 2.94Å; R62-T66 VanDerWaalsContact O-OG1 3.07Å
67I51.5Low58.6Low147 Ų147134.2 Ų134.275%0.75467%0.667SS**THydrogen-bonded Turntrans-116.439177.7-43.7174.6000110.2T64 K65T64-I67 CarbonylContact O-C 3.6Å; T64-I67 PolarHBondContact O-N 3.45Å; K65-I67 PolarHBondContact O-N 3.28Å
68R48.1Very low57.1Low197 Ų197137.4 Ų137.474%0.74368%0.682SS**  trans-125.763.1154-83-164.4170.1-173.9-2.6108.5K65 Q70K65-R68 PolarHBondContact O-N 2.91Å; R68-Q70 PolarHBondContact O-N 2.81Å
69R48.1Very low56Low211 Ų211140.5 Ų140.580%0.79670%0.698SS**SBendtrans-64.898.8143.9-68.3-168.9-176.6-151.52.4104.9
70Q46.7Very low55.1Low141 Ų141141.4 Ų141.466%0.65971%0.705SS**  trans18.9112.7164.3-56.1175.7-4.400115.9R68 I72R68-Q70 PolarHBondContact O-N 2.81Å; Q70-I72 HydrophobicContact CB-CG1 3.63Å; Q70-I72 PolarHBondContact O-N 2.91Å; Q70-I72 VanDerWaalsContact OE1-CD1 3.32Å; Q70-I72 VanDerWaalsContact OE1-CG1 3.23Å
71P46.7Very low54.2Low95 Ų95141.2 Ų141.262%0.61772%0.717SS**  trans-70.889.9141.330.6-23000104.9I73P71-I73 HydrophobicContact CB-CG2 4.39Å; P71-I73 PolarHBondContact O-N 2.94Å
72I54.1Low53.6Low119 Ų119137.7 Ų137.761%0.6171%0.713SS**  trans-65.192.3157.8-36.2173.4000102.4Q70 N74Q70-I72 HydrophobicContact CB-CG1 3.63Å; Q70-I72 PolarHBondContact O-N 2.91Å; Q70-I72 VanDerWaalsContact OE1-CD1 3.32Å; Q70-I72 VanDerWaalsContact OE1-CG1 3.23Å; I72-N74 PolarHBondContact O-N 2.9Å; I72-N74 PolarHBondContact O-OD1 2.89Å
73I47.4Very low53.2Low151 Ų151134.6 Ų134.677%0.77471%0.708SS**  trans-69.287168.846.1162.3000105.4P71 G75P71-I73 HydrophobicContact CB-CG2 4.39Å; P71-I73 PolarHBondContact O-N 2.94Å; I73-G75 PolarHBondContact O-N 3.34Å
74N51.3Low53.2Low148 Ų148131 Ų13179%0.79171%0.712SS**  trans17.793.8153.1-58.3-15.1000113.4I72 G76I72-N74 PolarHBondContact O-N 2.9Å; I72-N74 PolarHBondContact O-OD1 2.89Å; N74-G76 PolarHBondContact O-N 2.64Å
75G52.6Low53.3Low74 Ų74130.9 Ų130.976%0.76371%0.714SS**  trans-52.3120.6144.900000106.7I73 I77I73-G75 PolarHBondContact O-N 3.34Å; G75-I77 PolarHBondContact O-N 3Å
76G57.4Low52.8Low63 Ų63131.7 Ų131.765%0.64971%0.714SS**SBendtrans-56.8132-175.600000111.2N74N74-G76 PolarHBondContact O-N 2.64Å
77I61.8Low53Low161 Ų161132.6 Ų132.683%0.82672%0.715SS**SBendtrans78111.3148.6-62.3155.7000115.2G75G75-I77 PolarHBondContact O-N 3Å
78N55.3Low53.3Low149 Ų149132.3 Ų132.380%0.79771%0.712SS**  trans55.895158-8218000118
79V60.5Low53.7Low135 Ų135130.4 Ų130.482%0.81871%0.706SS**SBend-159.1110121.6-98.50000105.6
80E60.2Low54.1Low178 Ų178127.9 Ų127.983%0.83270%0.703SS**  trans43.597.6157.1-52.4-173.6-168.400115G82E80-G82 PolarHBondContact O-N 3.49Å
81I54.1Low54.7Low189 Ų189125.8 Ų125.897%0.96970%0.7SS**  trans-69.571.1167.1-63.2138.9000107.4
82G55.1Low55Low44 Ų44128.5 Ų128.545%0.45471%0.709SS.*  trans-77.4142.317100000108.9E80E80-G82 PolarHBondContact O-N 3.49Å
83N51.7Low55Low85 Ų85130.1 Ų130.146%0.45571%0.714SS.*  trans-47.7127.3175.4175.3-15.7000109.5S85 Y86N83-S85 PolarHBondContact O-N 3.26Å; N83-S85 PolarHBondContact OD1-N 3.44Å; N83-S85 VanDerWaalsContact OD1-N 3.11Å; N83-Y86 HydrophobicContact CB-CD2 3.61Å; N83-Y86 HydrophobicContact CB-CE2 4.25Å; N83-Y86 HydrophobicContact CB-CG 4.46Å; N83-Y86 WeakPolarHBondContact ND2-CE2 3.38Å; N83-Y86 PolarHBondContact O-N 3.05Å
84P57.2Low55Low130 Ų130130 Ų13084%0.84472%0.715SS**THydrogen-bonded Turntrans-60.7-8-174.221.4-32.4000114.4
85S54.9Low55.3Low82 Ų82131.9 Ų131.957%0.57372%0.719SS**THydrogen-bonded Turntrans-86.1-20.1170.4-78.90000115.2N83 Y89N83-S85 PolarHBondContact O-N 3.26Å; N83-S85 PolarHBondContact OD1-N 3.44Å; N83-S85 VanDerWaalsContact OD1-N 3.11Å; S85-Y89 WeakPolarHBondContact O-CE2 3.34Å
86Y44Very low55.1Low163 Ų163132.5 Ų132.564%0.63971%0.712SS**THydrogen-bonded Turntrans-91.8-29.6-168.6-82-98.2000113.5N83 M88 Y89N83-Y86 HydrophobicContact CB-CD2 3.61Å; N83-Y86 HydrophobicContact CB-CE2 4.25Å; N83-Y86 HydrophobicContact CB-CG 4.46Å; N83-Y86 WeakPolarHBondContact ND2-CE2 3.38Å; N83-Y86 PolarHBondContact O-N 3.05Å; Y86-M88 PolarHBondContact O-N 3.12Å; Y86-Y89 PolarHBondContact O-N 3.42Å
87N55.1Low54.5Low122 Ų122137.2 Ų137.265%0.65272%0.722SS**THydrogen-bonded Turntrans-77.18.1-171.3-131.810.7000115.8
88M57.3Low53.9Low141 Ų141133.7 Ų133.770%0.69573%0.725SS**THydrogen-bonded Turntrans-104.5-12.5174.7-166.6173.979.700112.4Y86Y86-M88 PolarHBondContact O-N 3.12Å
89Y55.5Low53.1Low157 Ų157130.2 Ų130.262%0.61672%0.724SS**SBendtrans-95.6-3.1179.5-64.4-75.6000113.1S85 Y86 V91S85-Y89 WeakPolarHBondContact O-CE2 3.34Å; Y86-Y89 PolarHBondContact O-N 3.42Å; Y89-V91 PolarHBondContact O-N 3.44Å
90E56.5Low52.4Low158 Ų158131.6 Ų131.674%0.73873%0.726SS**  trans-79.161.3165-59.5-167.4-179.700108.5D92E90-D92 PolarHBondContact O-N 2.76Å
91V60.3Low52Low97 Ų97130.3 Ų130.359%0.58872%0.724SS**  trans-79.5102.5157.91750000103.9Y89 H93Y89-V91 PolarHBondContact O-N 3.44Å; V91-H93 VanDerWaalsContact C-N 3.34Å; V91-H93 PolarHBondContact O-N 3.14Å; V91-H93 PolarHBondContact O-ND1 3.42Å; V91-H93 VanDerWaalsContact O-ND1 3.15Å
92D52.7Low51.4Low152 Ų152129.4 Ų129.481%0.81372%0.716SS**  trans-39.1101.1165.9-82.1-56000108.7E90 D94E90-D92 PolarHBondContact O-N 2.76Å; D92-D94 VanDerWaalsContact C-N 3.33Å; D92-D94 PolarHBondContact O-N 3.17Å
93H54.4Low50.9Low154 Ų154133.3 Ų133.371%0.71373%0.734SS**  trans-84.591.6166-9059.3000105.2V91 H95V91-H93 VanDerWaalsContact C-N 3.34Å; V91-H93 PolarHBondContact O-N 3.14Å; V91-H93 PolarHBondContact O-ND1 3.42Å; V91-H93 VanDerWaalsContact O-ND1 3.15Å; H93-H95 PolarHBondContact O-N 3.34Å
94D48Very low50.8Low149 Ų149132.4 Ų132.480%0.79773%0.734SS**  trans-53.3113.7156.9-84.4-36.9000107.3D92 S96D92-D94 VanDerWaalsContact C-N 3.33Å; D92-D94 PolarHBondContact O-N 3.17Å; D94-S96 VanDerWaalsContact C-N 3.34Å; D94-S96 PolarHBondContact O-N 2.91Å
95H57.8Low50.4Low186 Ų186135.2 Ų135.286%0.86173%0.733SS**  trans-62.696.3172.5-77.8-50.3000108.5H93H93-H95 PolarHBondContact O-N 3.34Å
96S48.3Very low49.9Very low88 Ų88139.1 Ų139.162%0.61574%0.744SS**  trans-145.492.3166.4-49.80000109.5D94D94-S96 VanDerWaalsContact C-N 3.34Å; D94-S96 PolarHBondContact O-N 2.91Å
97D44.1Very low50.2Low161 Ų161137.5 Ų137.586%0.86175%0.745SS**  trans82.9128.7137.2-43.7-33000119
98G49.9Very low49.7Very low87 Ų87135.9 Ų135.990%0.89774%0.737SS**  trans-69.5160.9-171.100000115.5
99G38.7Very low49.6Very low76 Ų76135 Ų13578%0.78474%0.742SS**  trans-171.2104.8172.200000110.7
100L44.6Very low49.5Very low164 Ų164133.4 Ų133.486%0.85975%0.748SS**  trans-34131162.2-90.3150.5000113.5
101L51.6Low49.2Very low151 Ų151133.1 Ų133.179%0.79174%0.744SS**  trans36.797.3152.2-59.2174.3000116.3P103L101-P103 WeakPolarHBondContact O-CD 3.15Å
102E41Very low48.8Very low170 Ų170134.2 Ų134.279%0.79475%0.753SS**  trans-102.697.8154.4-170.8108.9-179.400108.4S104E102-S104 WeakPolarHBondContact CG-OG 3.45Å; E102-S104 PolarHBondContact O-N 2.67Å
103P46.1Very low49Very low127 Ų127131.9 Ų131.983%0.82575%0.745SS**  trans-79.260.9177.633.4-34.2000110.5L101L101-P103 WeakPolarHBondContact O-CD 3.15Å
104S49.5Very low49.1Very low65 Ų65132.5 Ų132.546%0.45575%0.753SS.*  trans-125.159.817557.90000110.3E102 M106E102-S104 WeakPolarHBondContact CG-OG 3.45Å; E102-S104 PolarHBondContact O-N 2.67Å; S104-M106 PolarHBondContact O-N 2.98Å
105F48.1Very low49.4Very low189 Ų189133.1 Ų133.183%0.82975%0.746SS**  trans-6725.2149.9-163.2-97000111.4I107F105-I107 VanDerWaalsContact C-N 3.33Å; F105-I107 HydrophobicContact CE1-CD1 4.33Å; F105-I107 PolarHBondContact O-N 3.47Å; F105-I107 VanDerWaalsContact O-N 3.07Å
106M44.8Very low49.3Very low165 Ų165128.8 Ų128.881%0.81374%0.736SS**  trans-73.3100.7161.6-79.6-73.1143.500105.3S104 D108S104-M106 PolarHBondContact O-N 2.98Å; M106-D108 PolarHBondContact O-N 2.95Å
107I49.5Very low50Low129 Ų129126.6 Ų126.666%0.66272%0.718SS**  trans-50.395.4159.5-83.4154.3000106.2F105 P109F105-I107 VanDerWaalsContact C-N 3.33Å; F105-I107 HydrophobicContact CE1-CD1 4.33Å; F105-I107 PolarHBondContact O-N 3.47Å; F105-I107 VanDerWaalsContact O-N 3.07Å; I107-P109 WeakPolarHBondContact O-CD 3.35Å
108D45.5Very low50.9Low88 Ų88122.8 Ų122.847%0.47170%0.701SS.*  trans-70.1109.4163.5-179.2-0.7000105.6M106 V110 K111M106-D108 PolarHBondContact O-N 2.95Å; D108-V110 PolarHBondContact O-N 3.32Å; D108-V110 WeakPolarHBondContact OD1-CB 3.21Å; D108-V110 WeakPolarHBondContact OD1-CG2 3.45Å; D108-V110 PolarHBondContact OD1-N 3.47Å; D108-K111 HydrophobicContact CB-CB 4.28Å; D108-K111 PolarHBondContact O-N 3.35Å
109P54.9Low51.6Low123 Ų123122.8 Ų122.880%0.79968%0.684SS**THydrogen-bonded Turntrans-65.6-8.6-178.628.7-34.4000112.4I107I107-P109 WeakPolarHBondContact O-CD 3.35Å
110V53.6Low52.6Low122 Ų122126.4 Ų126.474%0.73968%0.675SS**THydrogen-bonded Turntrans-98.1-20-176.9-157.70000112.4D108 P112D108-V110 PolarHBondContact O-N 3.32Å; D108-V110 WeakPolarHBondContact OD1-CB 3.21Å; D108-V110 WeakPolarHBondContact OD1-CG2 3.45Å; D108-V110 PolarHBondContact OD1-N 3.47Å; V110-P112 VanDerWaalsContact O-CD 3.31Å; V110-P112 WeakPolarHBondContact O-CD 3.23Å
111K50.9Low53.5Low153 Ų153120.5 Ų120.567%0.66565%0.65SS**SBendtrans-94.1109.1176.1-164.9178.7-176.1-168.60109.5D108 T113D108-K111 HydrophobicContact CB-CB 4.28Å; D108-K111 PolarHBondContact O-N 3.35Å; K111-T113 PolarHBondContact O-N 3.11Å
112P50.4Low53.8Low119 Ų119118.5 Ų118.577%0.77364%0.635SS**  trans-62.5110.6173.724.7-30.8000108.3V110 N114V110-P112 VanDerWaalsContact O-CD 3.31Å; V110-P112 WeakPolarHBondContact O-CD 3.23Å; P112-N114 PolarHBondContact O-N 3.22Å
113T58.2Low54.8Low104 Ų104116.5 Ų116.564%0.63863%0.629SS**  trans-63.6132.2170.956.80000107.3K111 Y115K111-T113 PolarHBondContact O-N 3.11Å; T113-Y115 PolarHBondContact O-N 2.88Å
114N55.8Low55.3Low167 Ų167119.7 Ų119.789%0.89363%0.626SS**SBendtrans-63.9-0.6-176.4-134.1-75.1000112.8P112 S116P112-N114 PolarHBondContact O-N 3.22Å; N114-S116 VanDerWaalsContact C-N 3.27Å; N114-S116 PolarHBondContact O-N 3.28Å
115Y54.1Low55.8Low162 Ų162122.1 Ų122.164%0.63563%0.631SS**  trans-83.267.9174.7-161.5-100.3000111.3T113 N117T113-Y115 PolarHBondContact O-N 2.88Å; Y115-N117 VanDerWaalsContact C-N 3.26Å; Y115-N117 HydrophobicContact CD1-CB 4.22Å; Y115-N117 HydrophobicContact CE1-CB 3.81Å; Y115-N117 PolarHBondContact O-N 3.02Å
116S56.9Low56.1Low95 Ų95116.9 Ų116.966%0.66461%0.612SS**  trans-80.174.9171.9-73.60000110.3N114 P118N114-S116 VanDerWaalsContact C-N 3.27Å; N114-S116 PolarHBondContact O-N 3.28Å; S116-P118 VanDerWaalsContact O-CD 3.3Å; S116-P118 WeakPolarHBondContact O-CD 3.24Å
117N61.5Low56.5Low42 Ų42112.4 Ų112.423%0.22561%0.608CS.*  trans-64.2117.1169.9177.2-12.4000108.5Y115 V119 Y120 A121Y115-N117 VanDerWaalsContact C-N 3.26Å; Y115-N117 HydrophobicContact CD1-CB 4.22Å; Y115-N117 HydrophobicContact CE1-CB 3.81Å; Y115-N117 PolarHBondContact O-N 3.02Å; N117-V119 PolarHBondContact O-N 3.32Å; N117-V119 VanDerWaalsContact OD1-CB 3.27Å; N117-V119 WeakPolarHBondContact OD1-CB 3.09Å; N117-V119 WeakPolarHBondContact OD1-CG2 3.39Å; N117-V119 PolarHBondContact OD1-N 3.26Å; N117-Y120 HydrophobicContact CB-CD2 3.9Å; N117-Y120 WeakPolarHBondContact ND2-CD2 3.35Å; N117-Y120 WeakPolarHBondContact ND2-CE2 3.11Å; N117-Y120 PolarHBondContact O-N 2.86Å; N117-A121 PolarHBondContact O-N 3.29Å
118P64Low56.8Low80 Ų80113.6 Ų113.652%0.51961%0.611SS.*Hα-helixtrans-61.8-21.9-173.925.1-35.2000113S116 K122S116-P118 VanDerWaalsContact O-CD 3.3Å; S116-P118 WeakPolarHBondContact O-CD 3.24Å; P118-K122 WeakPolarHBondContact O-CB 3.19Å; P118-K122 PolarHBondContact O-N 2.81Å
119V64.7Low56.9Low88 Ų88114 Ų11453%0.53361%0.613SS.*Hα-helixtrans-63.4-43.3174.1179.50000110.5N117N117-V119 PolarHBondContact O-N 3.32Å; N117-V119 VanDerWaalsContact OD1-CB 3.27Å; N117-V119 WeakPolarHBondContact OD1-CB 3.09Å; N117-V119 WeakPolarHBondContact OD1-CG2 3.39Å; N117-V119 PolarHBondContact OD1-N 3.26Å
120Y59Low56.4Low151 Ų151113.6 Ų113.659%0.59261%0.612SS**Hα-helixtrans-88.6-34-179.1-63.2-77.3000112.7N117 K122 L123 Y124N117-Y120 HydrophobicContact CB-CD2 3.9Å; N117-Y120 WeakPolarHBondContact ND2-CD2 3.35Å; N117-Y120 WeakPolarHBondContact ND2-CE2 3.11Å; N117-Y120 PolarHBondContact O-N 2.86Å; Y120-K122 PolarHBondContact O-N 2.9Å; Y120-L123 HydrophobicContact CD1-CD1 4.35Å; Y120-L123 PolarHBondContact O-N 2.97Å; Y120-Y124 PolarHBondContact O-N 3.15Å; Y120-Y124 VanDerWaalsContact O-N 3.17Å
121A63.6Low56.1Low40 Ų40118.5 Ų118.533%0.33162%0.617SS.*Hα-helixtrans-57-39.9175.500000111.3N117 Y124 M125N117-A121 PolarHBondContact O-N 3.29Å; A121-Y124 PolarHBondContact O-N 3.34Å; A121-M125 WeakPolarHBondContact O-CB 3.49Å; A121-M125 WeakPolarHBondContact O-CG 3.43Å; A121-M125 PolarHBondContact O-N 3.17Å
122K56.8Low56Low109 Ų109116.7 Ų116.747%0.47461%0.614SS.*Hα-helixtrans-66-39.1176.9-167.3-178.2-177-60.10112.2P118 Y120 Y124 M125 D126P118-K122 WeakPolarHBondContact O-CB 3.19Å; P118-K122 PolarHBondContact O-N 2.81Å; Y120-K122 PolarHBondContact O-N 2.9Å; K122-Y124 VanDerWaalsContact C-N 3.32Å; K122-Y124 PolarHBondContact O-N 2.9Å; K122-M125 PolarHBondContact O-N 3.02Å; K122-D126 VanDerWaalsContact NZ-CG 3.34Å; K122-D126 IonicContact NZ-OD1 3.58Å; K122-D126 IonicContact NZ-OD2 2.74Å; K122-D126 PolarHBondContact NZ-OD2 3.1Å; K122-D126 WeakPolarHBondContact O-CB 3.24Å; K122-D126 PolarHBondContact O-N 3.33Å
123L62.9Low56Low129 Ų129115.7 Ų115.768%0.67561%0.611SS**Hα-helixtrans-64.8-37.3-179.8-65.7173.6000111.8Y120Y120-L123 HydrophobicContact CD1-CD1 4.35Å; Y120-L123 PolarHBondContact O-N 2.97Å
124Y57.5Low55.4Low193 Ų193118.8 Ų118.876%0.75762%0.622SS**Hα-helixtrans-72-38.3174.7-98.6-94.8000112.9Y120 A121 K122Y120-Y124 PolarHBondContact O-N 3.15Å; Y120-Y124 VanDerWaalsContact O-N 3.17Å; A121-Y124 PolarHBondContact O-N 3.34Å; K122-Y124 VanDerWaalsContact C-N 3.32Å; K122-Y124 PolarHBondContact O-N 2.9Å
125M58.5Low54.8Low116 Ų116114.7 Ų114.757%0.57161%0.611SS**Hα-helixtrans-88.1-17.1-173.5-62.1-65.5151.900114.8A121 K122 G127 N129A121-M125 WeakPolarHBondContact O-CB 3.49Å; A121-M125 WeakPolarHBondContact O-CG 3.43Å; A121-M125 PolarHBondContact O-N 3.17Å; K122-M125 PolarHBondContact O-N 3.02Å; M125-G127 PolarHBondContact O-N 3.36Å; M125-N129 PolarHBondContact O-ND2 2.03Å
126D54.5Low54.4Low80 Ų80111.1 Ų111.143%0.42861%0.61SS.*THydrogen-bonded Turntrans-73-13.4-179.7-132.715000113K122K122-D126 VanDerWaalsContact NZ-CG 3.34Å; K122-D126 IonicContact NZ-OD1 3.58Å; K122-D126 IonicContact NZ-OD2 2.74Å; K122-D126 PolarHBondContact NZ-OD2 3.1Å; K122-D126 WeakPolarHBondContact O-CB 3.24Å; K122-D126 PolarHBondContact O-N 3.33Å
127G54.6Low54Low70 Ų70111.2 Ų111.272%0.72261%0.607SS**THydrogen-bonded Turntrans-77.1-24.6-179.200000115M125M125-G127 PolarHBondContact O-N 3.36Å
128Q54.1Low53.2Low155 Ų155114.2 Ų114.272%0.72462%0.622SS**THydrogen-bonded Turntrans-110.6-10.3-171.4-88.5155.5-34.800115.2C130Q128-C130 PolarHBondContact O-N 3.47Å
129N48.7Very low52.3Low97 Ų97118.6 Ų118.652%0.51964%0.636SS.*G310 helixtrans-91.619-167.9-77.1-48.1000116.4M125 R131M125-N129 PolarHBondContact O-ND2 2.03Å; N129-R131 VanDerWaalsContact C-N 3.29Å
130C44.7Very low51.3Low113 Ų113124.7 Ų124.776%0.76465%0.65SS**G310 helixtrans-82.6-1.7168.2-70.40000113.6Q128Q128-C130 PolarHBondContact O-N 3.47Å
131R46.5Very low50.7Low225 Ų225123.4 Ų123.485%0.84965%0.647SS**G310 helixtrans-86.1-9.1-179.6-96.2174.780.3123.4-5.6115.7N129N129-R131 VanDerWaalsContact C-N 3.29Å
132N49Very low49.9Very low115 Ų115129.8 Ų129.862%0.61567%0.67SS**  trans-124.171.7-168.6-59.4-12.9000112
133S49.5Very low49.3Very low99 Ų99131.7 Ų131.769%0.69269%0.685SS**SBendtrans-131.30.8169.2-71.30000114.6
134L46.9Very low48.4Very low169 Ų169132.7 Ų132.789%0.88569%0.69SS**SBendtrans-92.6-22.2170.4-85.3160.6000113.6
135A42.8Very low47.7Very low80 Ų80128.8 Ų128.866%0.66169%0.688SS**G310 helixtrans-82.9-22.6-177.900000114.5V137 D138A135-V137 VanDerWaalsContact C-N 3.27Å; A135-V137 PolarHBondContact O-N 2.74Å; A135-D138 PolarHBondContact O-N 3.39Å
136S45.6Very low47.1Very low88 Ų88133.3 Ų133.362%0.61571%0.705SS**G310 helixtrans-80.1-1.1-177.1174.40000114.2
137V48.4Very low46.7Very low97 Ų97138 Ų13859%0.58872%0.721SS**G310 helixtrans-86.9-10.4176-174.50000111.5A135 K141A135-V137 VanDerWaalsContact C-N 3.27Å; A135-V137 PolarHBondContact O-N 2.74Å; V137-K141 WeakPolarHBondContact O-CE 2.99Å
138D44.2Very low46.6Very low104 Ų104142.4 Ų142.456%0.55673%0.726SS**SBendtrans-85.5-35.9-175.8-146.852.4000113.9A135 R140 K141A135-D138 PolarHBondContact O-N 3.39Å; D138-R140 PolarHBondContact O-N 3.07Å; D138-K141 WeakPolarHBondContact O-CG 3.03Å; D138-K141 PolarHBondContact O-N 2.91Å; D138-K141 VanDerWaalsContact OD1-CE 3.26Å; D138-K141 WeakPolarHBondContact OD1-CE 3.38Å; D138-K141 IonicContact OD1-NZ 2.64Å; D138-K141 PolarHBondContact OD1-NZ 2.97Å
139E45.5Very low46.3Very low172 Ų172143.9 Ų143.980%0.80473%0.733SS**G310 helixtrans-71.7-11.6177.9-99.1-176.3100.600114.5K141E139-K141 VanDerWaalsContact C-N 3.25Å; E139-K141 PolarHBondContact O-N 3.02Å
140R43.8Very low46.5Very low217 Ų217147 Ų14782%0.81975%0.748SS**G310 helixtrans-89.412.2179.5-138.5-169.6-85.5-106.3-0.5113.5D138D138-R140 PolarHBondContact O-N 3.07Å
141K47.2Very low46.6Very low124 Ų124145 Ų14554%0.53975%0.746SS.*G310 helixtrans-99.9-19.5178.8-53.6176.4-177.5176.10112.9V137 D138 E139 L143V137-K141 WeakPolarHBondContact O-CE 2.99Å; D138-K141 WeakPolarHBondContact O-CG 3.03Å; D138-K141 PolarHBondContact O-N 2.91Å; D138-K141 VanDerWaalsContact OD1-CE 3.26Å; D138-K141 WeakPolarHBondContact OD1-CE 3.38Å; D138-K141 IonicContact OD1-NZ 2.64Å; D138-K141 PolarHBondContact OD1-NZ 2.97Å; E139-K141 VanDerWaalsContact C-N 3.25Å; E139-K141 PolarHBondContact O-N 3.02Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.36Å
142E46Very low46.8Very low174 Ų174141.9 Ų141.981%0.81375%0.745SS**SBendtrans-75.5-18.2179.3-71.9-83.8123.800113L144E142-L144 PolarHBondContact O-N 3.49Å
143L43.8Very low46.9Very low149 Ų149147.9 Ų147.978%0.7876%0.759SS**  trans-102.769.1172.4-63.7173.5000108.9K141 P145K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.36Å; L143-P145 WeakPolarHBondContact O-CD 3.44Å
144L45.2Very low47Very low149 Ų149152.1 Ų152.178%0.7877%0.768SS**  trans-69.6100.8157.9-89.6158.4000108.4E142 K146E142-L144 PolarHBondContact O-N 3.49Å; L144-K146 PolarHBondContact O-N 3.4Å
145P43.1Very low47.3Very low111 Ų111150.7 Ų150.772%0.72177%0.766SS**  trans-67.4109.7157.128.9-32000106.9L143 K147L143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-K147 PolarHBondContact O-N 3.27Å
146K45.8Very low47.5Very low212 Ų212154 Ų15492%0.92278%0.778SS**  trans-5575.1160.2-72.3178.7173.2172.80110.4L144L144-K146 PolarHBondContact O-N 3.4Å
147K46.1Very low47.3Very low177 Ų177158.1 Ų158.177%0.7782%0.817SS**  trans-152.448.4172.5-145.6-170.7-176.7-159.80113.6P145P145-K147 PolarHBondContact O-N 3.27Å
148I51Low47.2Very low163 Ų163161.2 Ų161.284%0.83683%0.828SS**  trans-141.861155.2-49.6174.2000108.1
149E49.1Very low47.4Very low187 Ų187164.2 Ų164.287%0.87484%0.843SS**SBendtrans-133.643.2169.5-159.3179.4173.400111
150I51.9Low47.5Very low163 Ų163163.7 Ų163.784%0.83685%0.845SS**SBendtrans-140.38.1171.4-43.3172.7000111.8
151G46.5Very low47.7Very low69 Ų69160.6 Ų160.671%0.71185%0.846SS**SBendtrans-107.83.5-173.200000117.1
152I51.5Low47.7Very low160 Ų160162.9 Ų162.982%0.82187%0.866SS**SBendtrans-128.829.5-172.3-41.1179.1000111.7
153R50.8Low47.8Very low241 Ų241162.1 Ų162.191%0.90987%0.869SS**SBendtrans-135.928177.5-127.3-172.4-147.5-974.2115.2
154E52.8Low48.1Very low189 Ų189163.1 Ų163.188%0.88388%0.875SS**SBendtrans-137.838.4173.8-66.3-164.9160.100113.8
155T52Low48.4Very low138 Ų138164.2 Ų164.285%0.84788%0.883SS**SBendtrans-13526.9164.545.80000113.2
156V48.2Very low48.8Very low150 Ų150168.6 Ų168.691%0.90990%0.896SS**  trans-128.981.1161.6-170.70000107.7
157A39.8Very low49.1Very low174 Ų174164.6 Ų164.6100%1.43889%0.894SS**  trans-137.50154.200000106.6

Retrieved 157 of 157 residues in 299.5 ms (Link to these results)