A0A087WQ33_MOUSE Loading...

RIKEN cDNA 1700017N19 gene

AlphaFold DB , UniProt , Accession A0A087WQ33, Species MOUSE (Mus musculus, Mouse), Gene 1700017N19Rik, Length 375 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
1M39.5Very low65.3Low237 Ų237116.6 Ų116.6100%1.16761%0.614SS**  0103.10-78.5170.1-178.400106.9M3M1-M3 PolarHBondContact O-N 3.42Å
2E44.7Very low67.3Low187 Ų187117.9 Ų117.987%0.87461%0.611SS**  trans-60.6117.6169.3-76.3174.4137.800107.6Q4E2-Q4 PolarHBondContact O-N 3.37Å
3M48.6Very low69.2Low168 Ų168120.5 Ų120.583%0.82861%0.608SS**  trans-76.673.3170.6-68.9-159.3177.800107.8M1 Q5M1-M3 PolarHBondContact O-N 3.42Å; M3-Q5 HydrophobicContact CB-CG 4.47Å; M3-Q5 PolarHBondContact O-N 3.34Å
4Q52.9Low70.6Confident127 Ų127114.1 Ų114.159%0.59358%0.575SS**  trans-72.675.3166.4-147.2179.8-7.800106.8E2 N6E2-Q4 PolarHBondContact O-N 3.37Å; Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.27Å; Q4-N6 PolarHBondContact O-N 3.1Å; Q4-N6 PolarHBondContact O-OD1 3.26Å
5Q57.3Low71.5Confident119 Ų119114.3 Ų114.356%0.55659%0.585SS**  trans-75.493.6171.2-70.9-145.4-4.400107.2M3 C7M3-Q5 HydrophobicContact CB-CG 4.47Å; M3-Q5 PolarHBondContact O-N 3.34Å; Q5-C7 PolarHBondContact O-N 2.95Å
6N61.8Low72.5Confident101 Ų101111.5 Ų111.554%0.5457%0.569SS.*  trans-71.772.7170.1-58.61000107.6Q4 S8Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.27Å; Q4-N6 PolarHBondContact O-N 3.1Å; Q4-N6 PolarHBondContact O-OD1 3.26Å; N6-S8 PolarHBondContact O-N 2.93Å
7C67.6Low73.1Confident34 Ų34112.6 Ų112.623%0.2359%0.585CS.*  trans-66.8132167.6-70.10000107.8Q5 I9 I26 Y28Q5-C7 PolarHBondContact O-N 2.95Å; C7-I9 PolarHBondContact O-N 3.37Å; C7-I26 WeakPolarHBondContact CB-O 2.95Å; C7-I26 PolarHBondContact SG-O 3.28Å; C7-Y28 WeakPolarHBondContact O-CB 3.27Å
8S77.9Confident73.6Confident119 Ų119114.9 Ų114.983%0.83260%0.597SS**SBendtrans-77.5-8.6173.953.10000113N6N6-S8 PolarHBondContact O-N 2.93Å
9I87.1Confident74.4Confident107 Ų107110.2 Ų110.255%0.54958%0.58SS.*SBendtrans-91123.9-175.4-55.8168000109.1C7 F27 Y28C7-I9 PolarHBondContact O-N 3.37Å; I9-F27 HydrophobicContact CB-CD1 4.23Å; I9-F27 HydrophobicContact CG2-CD1 4.1Å; I9-F27 HydrophobicContact CG2-CE1 4.34Å; I9-Y28 VanDerWaalsContact O-CB 3.32Å; I9-Y28 WeakPolarHBondContact O-CB 3.42Å; I9-Y28 PolarHBondContact O-N 3.48Å
10S88.8Confident75.2Confident81 Ų81105.3 Ų105.357%0.56655%0.554SS**BIsolated β-bridgetrans-61.6145.1176.355.60000112.4F12 Y28S10-F12 PolarHBondContact O-N 2.74Å; S10-Y28 CarbonylContact C-O 3.53Å
11C91.8Very high75.9Confident3 Ų3105.2 Ų105.22%0.0256%0.558CS.*PPolyproline II helixtrans-73.1117.2175-172.70000109.8W13 E14 C20 F27 Y28 H29C11-W13 PolarHBondContact O-N 3.35Å; C11-E14 HydrophobicContact CB-CB 4.28Å; C11-E14 VanDerWaalsContact O-CB 3.27Å; C11-E14 WeakPolarHBondContact O-CB 3.09Å; C11-E14 PolarHBondContact O-N 3.07Å; C11-C20 VanDerWaalsContact SG-SG 3.69Å; C11-F27 HydrophobicContact CB-CB 3.68Å; C11-Y28 WeakPolarHBondContact CB-O 3.42Å; C11-Y28 PolarHBondContact N-O 3.43Å; C11-H29 WeakPolarHBondContact CB-CE1 3.41Å; C11-H29 PolarHBondContact SG-CE1 3.45Å
12F89.6Confident78.3Confident132 Ų13299.9 Ų99.958%0.57953%0.528SS*.G310 helixtrans-53.5-36.3174.2176.3-99.5000113.4S10 E14 T15 Q16S10-F12 PolarHBondContact O-N 2.74Å; F12-E14 PolarHBondContact O-N 2.78Å; F12-T15 PolarHBondContact O-OG1 3.19Å; F12-T15 VanDerWaalsContact O-OG1 3.08Å; F12-Q16 HydrophobicContact CE1-CG 4.49Å
13W91.5Very high80.2Confident151 Ų15195.1 Ų95.157%0.57251%0.508SS*.G310 helixtrans-75.8-9.5-178.4-62.6101.3000113.6C11 T15 Q16 G19 C20C11-W13 PolarHBondContact O-N 3.35Å; W13-T15 VanDerWaalsContact C-N 3.28Å; W13-T15 PolarHBondContact O-N 3.46Å; W13-Q16 HydrophobicContact CE3-CB 4.18Å; W13-Q16 HydrophobicContact CE3-CG 3.66Å; W13-Q16 HydrophobicContact CZ3-CG 4.12Å; W13-Q16 PolarHBondContact O-N 3.38Å; W13-G19 CarbonylContact O-C 3.59Å; W13-G19 WeakPolarHBondContact O-CA 3.1Å; W13-C20 HydrophobicContact CB-CB 3.9Å; W13-C20 PolarHBondContact O-N 2.86Å
14E89Confident82Confident31 Ų3191.3 Ų91.315%0.14550%0.498CS..G310 helixtrans-68.7-28.2176.4-171.3176.9177.300112.6C11 F12 Q16 H29 S30 K31C11-E14 HydrophobicContact CB-CB 4.28Å; C11-E14 VanDerWaalsContact O-CB 3.27Å; C11-E14 WeakPolarHBondContact O-CB 3.09Å; C11-E14 PolarHBondContact O-N 3.07Å; F12-E14 PolarHBondContact O-N 2.78Å; E14-Q16 VanDerWaalsContact C-N 3.33Å; E14-H29 VanDerWaalsContact OE2-CA 3.27Å; E14-H29 WeakPolarHBondContact OE2-CA 3.48Å; E14-H29 IonicContact OE2-ND1 3.61Å; E14-S30 WeakPolarHBondContact OE1-CA 3.27Å; E14-S30 WeakPolarHBondContact OE1-CB 3.24Å; E14-S30 PolarHBondContact OE1-N 2.84Å; E14-S30 PolarHBondContact OE1-OG 3.23Å; E14-S30 PolarHBondContact OE2-N 3.03Å; E14-S30 VanDerWaalsContact OE2-N 3.13Å; E14-K31 WeakPolarHBondContact OE1-CB 3.42Å; E14-K31 PolarHBondContact OE1-N 3.1Å
15T84.6Confident83.7Confident118 Ų11886.3 Ų86.372%0.72448%0.477SS*.G310 helixtrans-87.3-4.3177.858.40000113.2F12 W13F12-T15 PolarHBondContact O-OG1 3.19Å; F12-T15 VanDerWaalsContact O-OG1 3.08Å; W13-T15 VanDerWaalsContact C-N 3.28Å; W13-T15 PolarHBondContact O-N 3.46Å
16Q88.1Confident85.1Confident69 Ų6984.8 Ų84.832%0.32247%0.472SS..SBendtrans-82.8150.8-179.9-63-62.1-25.200110.4F12 W13 E14 L18 G19F12-Q16 HydrophobicContact CE1-CG 4.49Å; W13-Q16 HydrophobicContact CE3-CB 4.18Å; W13-Q16 HydrophobicContact CE3-CG 3.66Å; W13-Q16 HydrophobicContact CZ3-CG 4.12Å; W13-Q16 PolarHBondContact O-N 3.38Å; E14-Q16 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 2.87Å; Q16-L18 VanDerWaalsContact O-N 3.17Å; Q16-G19 PolarHBondContact O-N 3.08Å
17P81.2Confident86.4Confident130 Ų13084.2 Ų84.284%0.84446%0.464SS*.THydrogen-bonded Turntrans-60.1-29.9-177.922.4-33.3000113.1G19P17-G19 VanDerWaalsContact C-N 3.35Å
18L83.5Confident87.4Confident155 Ų15586 Ų8681%0.81247%0.467SS*.THydrogen-bonded Turntrans-82.4-11.7175.9-64.2176.8000113.5Q16Q16-L18 PolarHBondContact O-N 2.87Å; Q16-L18 VanDerWaalsContact O-N 3.17Å
19G87.7Confident88Confident25 Ų2580.6 Ų80.626%0.25843%0.428SS..  trans62.9-177.9-173.300000113.6W13 Q16 P17 V21W13-G19 CarbonylContact O-C 3.59Å; W13-G19 WeakPolarHBondContact O-CA 3.1Å; Q16-G19 PolarHBondContact O-N 3.08Å; P17-G19 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 3.46Å
20C91.1Very high88Confident11 Ų1178.5 Ų78.57%0.07442%0.423CS..  trans-85.8109.2175.3-175.50000111.4C11 W13 C25 H29 R33C11-C20 VanDerWaalsContact SG-SG 3.69Å; W13-C20 HydrophobicContact CB-CB 3.9Å; W13-C20 PolarHBondContact O-N 2.86Å; C20-C25 VanDerWaalsContact SG-SG 3.64Å; C20-H29 WeakPolarHBondContact CB-CE1 3.47Å; C20-R33 WeakPolarHBondContact O-CD 3.2Å; C20-R33 PolarHBondContact O-NH1 3.22Å
21V90.4Very high87.9Confident104 Ų10481 Ų8163%0.6342%0.424SS*.  trans-85.2-4.4179-60.90000114.3G19 I23 I35G19-V21 PolarHBondContact O-N 3.46Å; V21-I23 PolarHBondContact O-N 3.32Å; V21-I35 WeakPolarHBondContact O-CD1 3.42Å
22K88.7Confident87.7Confident126 Ų12684.1 Ų84.155%0.54844%0.444SS..  trans-79.5109.5-179-171173.3-178.4174.60109.8S24 C25 R33K22-S24 VanDerWaalsContact C-N 3.35Å; K22-S24 PolarHBondContact O-N 3.29Å; K22-C25 HydrophobicContact CB-CB 4.32Å; K22-C25 WeakPolarHBondContact O-CB 3.4Å; K22-C25 PolarHBondContact O-N 2.97Å; K22-C25 VanDerWaalsContact O-N 3.12Å; K22-R33 PolarHBondContact O-NH1 2.75Å; K22-R33 PolarHBondContact O-NH2 2.84Å
23I85.9Confident87.7Confident86 Ų8679.3 Ų79.344%0.44142%0.422SS..THydrogen-bonded Turntrans-53.4-53.2-178.2-60.4171.6000110.4V21 C25 R33 I35 L38 L40V21-I23 PolarHBondContact O-N 3.32Å; I23-C25 VanDerWaalsContact C-N 3.3Å; I23-C25 PolarHBondContact O-N 3.19Å; I23-R33 PolarHBondContact O-NH2 2.89Å; I23-I35 HydrophobicContact CD1-CG2 4.29Å; I23-I35 HydrophobicContact CG1-CB 4.23Å; I23-I35 HydrophobicContact CG1-CD1 4.16Å; I23-I35 HydrophobicContact CG1-CG2 3.76Å; I23-L38 HydrophobicContact CG2-CD2 3.93Å; I23-L40 HydrophobicContact CB-CD1 4.47Å; I23-L40 HydrophobicContact CG2-CD1 4.08Å; I23-L40 HydrophobicContact CG2-CD2 4.48Å; I23-L40 WeakPolarHBondContact O-CD1 3.2Å
24S84.9Confident87.5Confident88 Ų8877.6 Ų77.662%0.61542%0.424SS*.THydrogen-bonded Turntrans-90.152.6174.852.90000112.5K22 I26K22-S24 VanDerWaalsContact C-N 3.35Å; K22-S24 PolarHBondContact O-N 3.29Å; S24-I26 PolarHBondContact O-N 3.31Å
25C88.6Confident87.4Confident23 Ų2376.8 Ų76.816%0.15542%0.421CS..  trans-67.7125.3169.9-167.60000109.2C20 K22 I23 F27 H29C20-C25 VanDerWaalsContact SG-SG 3.64Å; K22-C25 HydrophobicContact CB-CB 4.32Å; K22-C25 WeakPolarHBondContact O-CB 3.4Å; K22-C25 PolarHBondContact O-N 2.97Å; K22-C25 VanDerWaalsContact O-N 3.12Å; I23-C25 VanDerWaalsContact C-N 3.3Å; I23-C25 PolarHBondContact O-N 3.19Å; C25-F27 VanDerWaalsContact C-N 3.27Å; C25-H29 WeakPolarHBondContact CB-NE2 3.43Å; C25-H29 PolarHBondContact SG-NE2 2.85Å
26I88.2Confident87.5Confident87 Ų8778.7 Ų78.745%0.44643%0.426SS..  trans-78.5-15.7177.760.1171.4000112.3C7 S24C7-I26 WeakPolarHBondContact CB-O 2.95Å; C7-I26 PolarHBondContact SG-O 3.28Å; S24-I26 PolarHBondContact O-N 3.31Å
27F88.3Confident87.4Confident88 Ų8878.4 Ų78.439%0.38644%0.442SS..SBendtrans-85157-177.8-62.4-75000111.5I9 C11 C25 H29I9-F27 HydrophobicContact CB-CD1 4.23Å; I9-F27 HydrophobicContact CG2-CD1 4.1Å; I9-F27 HydrophobicContact CG2-CE1 4.34Å; C11-F27 HydrophobicContact CB-CB 3.68Å; C25-F27 VanDerWaalsContact C-N 3.27Å; F27-H29 PolarHBondContact O-CD2 3.25Å; F27-H29 VanDerWaalsContact O-CD2 3.3Å
28Y88.8Confident87.6Confident73 Ų7376.2 Ų76.229%0.28642%0.423SS..BIsolated β-bridgetrans-66.8133.9-179.7179.4-89.8000111.9C7 I9 S10 C11 S43 S44C7-Y28 WeakPolarHBondContact O-CB 3.27Å; I9-Y28 VanDerWaalsContact O-CB 3.32Å; I9-Y28 WeakPolarHBondContact O-CB 3.42Å; I9-Y28 PolarHBondContact O-N 3.48Å; S10-Y28 CarbonylContact C-O 3.53Å; C11-Y28 WeakPolarHBondContact CB-O 3.42Å; C11-Y28 PolarHBondContact N-O 3.43Å; Y28-S43 VanDerWaalsContact CA-OG 3.26Å; Y28-S43 WeakPolarHBondContact CA-OG 3.34Å; Y28-S43 WeakPolarHBondContact CD2-OG 2.95Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.47Å; Y28-S44 WeakPolarHBondContact CE2-OG 3.26Å; Y28-S44 PolarHBondContact OH-OG 2.77Å
29H89.9Confident87.9Confident4 Ų475.2 Ų75.22%0.01941%0.412CS..  trans-118.1118.3173.7-72.3-65.3000111.2C11 E14 C20 C25 F27 R33 P42 S43C11-H29 WeakPolarHBondContact CB-CE1 3.41Å; C11-H29 PolarHBondContact SG-CE1 3.45Å; E14-H29 VanDerWaalsContact OE2-CA 3.27Å; E14-H29 WeakPolarHBondContact OE2-CA 3.48Å; E14-H29 IonicContact OE2-ND1 3.61Å; C20-H29 WeakPolarHBondContact CB-CE1 3.47Å; C25-H29 WeakPolarHBondContact CB-NE2 3.43Å; C25-H29 PolarHBondContact SG-NE2 2.85Å; F27-H29 PolarHBondContact O-CD2 3.25Å; F27-H29 VanDerWaalsContact O-CD2 3.3Å; H29-R33 PolarHBondContact CD2-NE 3.15Å; H29-P42 CarbonylContact O-C 3.59Å; H29-P42 WeakPolarHBondContact O-CA 3.35Å; H29-P42 WeakPolarHBondContact O-CB 3.39Å; H29-S43 PolarHBondContact N-OG 2.83Å; H29-S43 PolarHBondContact O-N 3.37Å; H29-S43 PolarHBondContact O-OG 3.3Å
30S86.4Confident87.8Confident63 Ų6375.4 Ų75.444%0.44141%0.407SS..SBendtrans-79.2-27.3176.470.30000113E14 P42E14-S30 WeakPolarHBondContact OE1-CA 3.27Å; E14-S30 WeakPolarHBondContact OE1-CB 3.24Å; E14-S30 PolarHBondContact OE1-N 2.84Å; E14-S30 PolarHBondContact OE1-OG 3.23Å; E14-S30 PolarHBondContact OE2-N 3.03Å; E14-S30 VanDerWaalsContact OE2-N 3.13Å; S30-P42 WeakPolarHBondContact O-CB 3.32Å
31K86.6Confident87.6Confident134 Ų13478.9 Ų78.958%0.58343%0.43SS*.SBendtrans-108.1146.7-177.8-64.5168.8-173.6175.80111.3E14E14-K31 WeakPolarHBondContact OE1-CB 3.42Å; E14-K31 PolarHBondContact OE1-N 3.1Å
32P87.7Confident87.4Confident69 Ų6976.2 Ų76.245%0.44842%0.415SS..  trans-62.715117027-32.3000110.3F39 L40P32-F39 HydrophobicContact CB-CD2 4.48Å; P32-F39 HydrophobicContact CB-CE1 4.33Å; P32-F39 HydrophobicContact CB-CE2 3.5Å; P32-F39 HydrophobicContact CB-CZ 3.41Å; P32-F39 VanDerWaalsContact CB-CZ 3.41Å; P32-F39 HydrophobicContact CG-CE2 4.2Å; P32-F39 HydrophobicContact CG-CZ 4.18Å; P32-L40 CarbonylContact C-O 3.53Å; P32-L40 VanDerWaalsContact CA-O 3.27Å; P32-L40 WeakPolarHBondContact CA-O 3.11Å
33R89.7Confident87Confident30 Ų3072.4 Ų72.411%0.11340%0.404CS..EExtended strand (participates in β ladder)trans-122.3140.9-179.6-58.7-178-67.6137.5-1.4109.8C20 K22 I23 H29 I35 F39 L40C20-R33 WeakPolarHBondContact O-CD 3.2Å; C20-R33 PolarHBondContact O-NH1 3.22Å; K22-R33 PolarHBondContact O-NH1 2.75Å; K22-R33 PolarHBondContact O-NH2 2.84Å; I23-R33 PolarHBondContact O-NH2 2.89Å; H29-R33 PolarHBondContact CD2-NE 3.15Å; R33-I35 HydrophobicContact CB-CD1 4.46Å; R33-F39 CarbonylContact O-C 3.06Å; R33-F39 WeakPolarHBondContact O-CA 3.32Å; R33-L40 HydrophobicContact CB-CB 4.38Å; R33-L40 PolarHBondContact N-O 2.98Å; R33-L40 PolarHBondContact O-N 3.45Å
34N87.3Confident85.9Confident115 Ų11570.8 Ų70.862%0.61540%0.4SS*.EExtended strand (participates in β ladder)trans-112.1115.1168.3-170.1-53.8000108G37 L38N34-G37 WeakPolarHBondContact OD1-CA 3.42Å; N34-G37 PolarHBondContact OD1-N 3.47Å; N34-L38 WeakPolarHBondContact CA-O 3.31Å
35I88.4Confident84.1Confident14 Ų1473.6 Ų73.67%0.07241%0.408CS..EExtended strand (participates in β ladder)trans-125.7115.6179.9-59.1162.7000107.5V21 I23 R33 G37 L38 L40V21-I35 WeakPolarHBondContact O-CD1 3.42Å; I23-I35 HydrophobicContact CD1-CG2 4.29Å; I23-I35 HydrophobicContact CG1-CB 4.23Å; I23-I35 HydrophobicContact CG1-CD1 4.16Å; I23-I35 HydrophobicContact CG1-CG2 3.76Å; R33-I35 HydrophobicContact CB-CD1 4.46Å; I35-G37 PolarHBondContact O-N 2.85Å; I35-L38 PolarHBondContact N-O 3.45Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.36Å; I35-L38 PolarHBondContact O-N 3.1Å; I35-L40 HydrophobicContact CD1-CD1 3.79Å
36N85.5Confident81.8Confident158 Ų15876.5 Ų76.585%0.84543%0.426SS*.THydrogen-bonded Turntrans5337.2-179.6-56.5-20.7000113.1L38N36-L38 PolarHBondContact O-N 2.66Å
37G86.2Confident79.3Confident64 Ų6478.5 Ų78.566%0.6644%0.442SS*.THydrogen-bonded Turntrans81-5.7-176.700000114.8N34 I35N34-G37 WeakPolarHBondContact OD1-CA 3.42Å; N34-G37 PolarHBondContact OD1-N 3.47Å; I35-G37 PolarHBondContact O-N 2.85Å
38L86.5Confident76.8Confident84 Ų8481.1 Ų81.144%0.4446%0.459SS..EExtended strand (participates in β ladder)trans-84.2115.8173.8-173.865.5000110I23 N34 I35 N36 L40I23-L38 HydrophobicContact CG2-CD2 3.93Å; N34-L38 WeakPolarHBondContact CA-O 3.31Å; I35-L38 PolarHBondContact N-O 3.45Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.36Å; I35-L38 PolarHBondContact O-N 3.1Å; N36-L38 PolarHBondContact O-N 2.66Å; L38-L40 HydrophobicContact CD2-CD2 3.76Å; L38-L40 HydrophobicContact CD2-CG 4.42Å; L38-L40 HydrophobicContact CG-CD2 3.94Å; L38-L40 HydrophobicContact CG-CG 4.39Å
39F88.4Confident74.1Confident133 Ų13385.5 Ų85.558%0.58348%0.482SS*.EExtended strand (participates in β ladder)trans-80.9117.9171.6-176.2-96.2000110.1P32 R33P32-F39 HydrophobicContact CB-CD2 4.48Å; P32-F39 HydrophobicContact CB-CE1 4.33Å; P32-F39 HydrophobicContact CB-CE2 3.5Å; P32-F39 HydrophobicContact CB-CZ 3.41Å; P32-F39 VanDerWaalsContact CB-CZ 3.41Å; P32-F39 HydrophobicContact CG-CE2 4.2Å; P32-F39 HydrophobicContact CG-CZ 4.18Å; R33-F39 CarbonylContact O-C 3.06Å; R33-F39 WeakPolarHBondContact O-CA 3.32Å
40L87.1Confident71.7Confident29 Ų2993.9 Ų93.915%0.15252%0.519CS..EExtended strand (participates in β ladder)trans-106.8121.6174.2-60.2178000108.7I23 P32 R33 I35 L38I23-L40 HydrophobicContact CB-CD1 4.47Å; I23-L40 HydrophobicContact CG2-CD1 4.08Å; I23-L40 HydrophobicContact CG2-CD2 4.48Å; I23-L40 WeakPolarHBondContact O-CD1 3.2Å; P32-L40 CarbonylContact C-O 3.53Å; P32-L40 VanDerWaalsContact CA-O 3.27Å; P32-L40 WeakPolarHBondContact CA-O 3.11Å; R33-L40 HydrophobicContact CB-CB 4.38Å; R33-L40 PolarHBondContact N-O 2.98Å; R33-L40 PolarHBondContact O-N 3.45Å; I35-L40 HydrophobicContact CD1-CD1 3.79Å; L38-L40 HydrophobicContact CD2-CD2 3.76Å; L38-L40 HydrophobicContact CD2-CG 4.42Å; L38-L40 HydrophobicContact CG-CD2 3.94Å; L38-L40 HydrophobicContact CG-CG 4.39Å
41P85.3Confident69Low85 Ų8598.6 Ų98.655%0.55253%0.534SS*.  trans-66162.3176.629.2-34.7000111.3
42P87.5Confident66.7Low47 Ų4796.9 Ų96.931%0.30554%0.538SS..  trans-51149.7166.7-2434.2000111.4H29 S30 S44H29-P42 CarbonylContact O-C 3.59Å; H29-P42 WeakPolarHBondContact O-CA 3.35Å; H29-P42 WeakPolarHBondContact O-CB 3.39Å; S30-P42 WeakPolarHBondContact O-CB 3.32Å; P42-S44 PolarHBondContact O-N 3.46Å; P42-S44 VanDerWaalsContact O-N 3.1Å
43S78.8Confident64.1Low47 Ų47103 Ų10333%0.32956%0.561SS.*SBendtrans-76.99.6-176.263.60000114.4Y28 H29Y28-S43 VanDerWaalsContact CA-OG 3.26Å; Y28-S43 WeakPolarHBondContact CA-OG 3.34Å; Y28-S43 WeakPolarHBondContact CD2-OG 2.95Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.47Å; H29-S43 PolarHBondContact N-OG 2.83Å; H29-S43 PolarHBondContact O-N 3.37Å; H29-S43 PolarHBondContact O-OG 3.3Å
44S63.9Low61.5Low52 Ų52110.5 Ų110.536%0.36460%0.597SS.*  trans-151.6124.9166.565.20000114.2Y28 P42Y28-S44 WeakPolarHBondContact CE2-OG 3.26Å; Y28-S44 PolarHBondContact OH-OG 2.77Å; P42-S44 PolarHBondContact O-N 3.46Å; P42-S44 VanDerWaalsContact O-N 3.1Å
45N47.3Very low58.7Low146 Ų146108 Ų10878%0.78160%0.599SS**  trans-149.454.1135.661.7-23.9000109.3T47N45-T47 PolarHBondContact O-N 3.23Å; N45-T47 VanDerWaalsContact O-N 3.08Å
46T40.9Very low55.8Low85 Ų85112.9 Ų112.952%0.52164%0.635SS.*  trans-77.977.815443.80000107.8L48T46-L48 PolarHBondContact O-N 3.39Å
47T34.6Very low53.9Low129 Ų129111.3 Ų111.379%0.79163%0.633SS**  trans-58.993.9140.115.10000104.7N45 Q49N45-T47 PolarHBondContact O-N 3.23Å; N45-T47 VanDerWaalsContact O-N 3.08Å; T47-Q49 PolarHBondContact O-N 3.13Å
48L35.5Very low51.3Low143 Ų143114 Ų11475%0.74964%0.642SS**  trans-51.195.7158.2-171.284.5000105.1T46 K50T46-L48 PolarHBondContact O-N 3.39Å; L48-K50 HydrophobicContact CD2-CB 4.01Å; L48-K50 HydrophobicContact CG-CB 4.26Å; L48-K50 PolarHBondContact O-N 2.92Å
49Q32.6Very low49.4Very low165 Ų165115.6 Ų115.677%0.77166%0.657SS**  trans-59.280.1152.4-81.9-86.511.300104.7T47 E51T47-Q49 PolarHBondContact O-N 3.13Å; Q49-E51 PolarHBondContact O-N 2.84Å
50K38.6Very low46.5Very low180 Ų180115.4 Ų115.478%0.78367%0.667SS**  trans-72.169.4156.4-172.2178.3178.8-177.30104.4L48 S52L48-K50 HydrophobicContact CD2-CB 4.01Å; L48-K50 HydrophobicContact CG-CB 4.26Å; L48-K50 PolarHBondContact O-N 2.92Å; K50-S52 PolarHBondContact O-N 2.62Å
51E29.6Very low43.8Very low162 Ų162122.1 Ų122.176%0.75770%0.697SS**  trans-63.7120.6164.1-170.5170.6-177.500105.6Q49 Q53Q49-E51 PolarHBondContact O-N 2.84Å; E51-Q53 PolarHBondContact O-N 3.26Å; E51-Q53 VanDerWaalsContact O-N 3.1Å
52S39.8Very low41.2Very low97 Ų97122.8 Ų122.868%0.67870%0.704SS**  trans-57109.7-178.9-167.60000109.9K50K50-S52 PolarHBondContact O-N 2.62Å
53Q33.5Very low38.7Very low197 Ų197128.8 Ų128.892%0.92173%0.728SS**  trans-111.490.4151.7-79.9-144.8-29.800108.8E51E51-Q53 PolarHBondContact O-N 3.26Å; E51-Q53 VanDerWaalsContact O-N 3.1Å
54E34.9Very low36.3Very low188 Ų188134.3 Ų134.388%0.87975%0.749SS**  trans-70.9117.9153.2-174.6168.2177.700107.7
55G28.3Very low35Very low63 Ų63136 Ų13665%0.64976%0.76SS**  trans162.473.9176.900000115.7
56S26.7Very low34.4Very low117 Ų117136.3 Ų136.382%0.81876%0.761SS**  trans37.2136.9152.862.90000122.9
57P45.7Very low34.1Very low125 Ų125141.6 Ų141.681%0.81278%0.777SS**  trans-97157.3178.738.6-32.2000114.3
58S32.1Very low34.1Very low121 Ų121141.2 Ų141.285%0.84678%0.777SS**  trans-170.7158.6132.153.90000113.1
59P46.5Very low34.2Very low117 Ų117142 Ų14276%0.7678%0.779SS**  trans-119.4-167-150.541.6-26.9000114.4
60T27.1Very low34.6Very low128 Ų128142.7 Ų142.779%0.78578%0.782SS**  trans103.5124.3169.6-36.20000111.6
61Q30.6Very low34.9Very low170 Ų170139.6 Ų139.679%0.79477%0.774SS**  -173.7146.555.1-163165.7-1.700112.2
62S31.7Very low35.4Very low100 Ų100138.4 Ų138.470%0.69978%0.778SS**  trans64.2116.2155.955.50000119.4
63Q33.8Very low35.8Very low173 Ų173139.5 Ų139.581%0.80879%0.785SS**  43.112980.4-80.1-169.6-75.400112.2
64E28.8Very low36.7Very low162 Ų162140.7 Ų140.776%0.75778%0.781SS**  cis-165.7168.422.5-164.6153.4125.200108.5
65S35.4Very low37.4Very low87 Ų87137.8 Ų137.861%0.60878%0.779SS**  trans-67.1153-166.755.20000118.8
66L36.2Very low38.3Very low153 Ų153141.7 Ų141.780%0.80178%0.783SS**  152.6112.4111-79.4177.2000112.9
67K34.5Very low39.7Very low197 Ų197144.3 Ų144.386%0.85778%0.782SS**  155.3128.6123.9-85.3171-175.4179.90111.3
68P35.2Very low40Very low121 Ų121145.5 Ų145.579%0.78678%0.776SS**  trans-86.7125166.532.5-25000109.1
69M35.9Very low41.1Very low159 Ų159145.3 Ų145.378%0.78377%0.772SS**  trans-93.2104.5163.9-156.6-163.3153.900107.8N71M69-N71 VanDerWaalsContact CE-ND2 3.34Å; M69-N71 WeakPolarHBondContact CE-ND2 3.21Å; M69-N71 WeakPolarHBondContact CE-OD1 3.27Å; M69-N71 PolarHBondContact O-N 2.77Å; M69-N71 PolarHBondContact SD-ND2 3.5Å
70E42.6Very low41.3Very low179 Ų179147.3 Ų147.384%0.83678%0.776SS**  trans-62.9106.9174.3-66176.5144.800110
71N44.8Very low42.7Very low116 Ų116147 Ų14762%0.6277%0.773SS**  trans-137.573.9165.1-58.2-59.5000109M69M69-N71 VanDerWaalsContact CE-ND2 3.34Å; M69-N71 WeakPolarHBondContact CE-ND2 3.21Å; M69-N71 WeakPolarHBondContact CE-OD1 3.27Å; M69-N71 PolarHBondContact O-N 2.77Å; M69-N71 PolarHBondContact SD-ND2 3.5Å
72V38.4Very low43.7Very low137 Ų137146.3 Ų146.383%0.8377%0.774SS**  trans-125.297.1158.4-162.90000106.4R74V72-R74 PolarHBondContact O-N 2.96Å; V72-R74 VanDerWaalsContact O-N 3.1Å
73S48.9Very low44.4Very low119 Ų119150.2 Ų150.283%0.83278%0.779SS**  trans-51.8114.8173.5-48.20000109.1
74R53Low45.1Very low223 Ų223147.6 Ų147.684%0.84278%0.775SS**  trans-71.2134.5169.7-64.1-178-179.7-153.31.1108.2V72 I76V72-R74 PolarHBondContact O-N 2.96Å; V72-R74 VanDerWaalsContact O-N 3.1Å; R74-I76 PolarHBondContact O-N 3.14Å
75P48.2Very low45.8Very low127 Ų127146.9 Ų146.983%0.82578%0.776SS**  trans-65.2110.4167.1-17.430.7000108.9H77P75-H77 VanDerWaalsContact C-N 3.35Å; P75-H77 PolarHBondContact O-N 3.06Å; P75-H77 VanDerWaalsContact O-N 3.14Å
76I49.1Very low46.3Very low144 Ų144152 Ų15274%0.73879%0.788SS**  trans-76.892.2166.5-57.2170000106R74R74-I76 PolarHBondContact O-N 3.14Å
77H55Low46.8Very low173 Ų173153 Ų15380%0.80179%0.788SS**  trans-128.4119.2157.2-124.2-80.6000108.2P75P75-H77 VanDerWaalsContact C-N 3.35Å; P75-H77 PolarHBondContact O-N 3.06Å; P75-H77 VanDerWaalsContact O-N 3.14Å
78H52.7Low47.4Very low150 Ų150151.5 Ų151.569%0.69478%0.784SS**  trans-68.2135.3174.4-70-98.5000109L80H78-L80 PolarHBondContact O-N 3.16Å
79P53.8Low48.1Very low117 Ų117154.5 Ų154.576%0.7679%0.788SS**  trans-66.4119.5172.526.1-30.8000108.8V81P79-V81 PolarHBondContact O-N 3.36Å
80L51.8Low48.8Very low158 Ų158154.3 Ų154.383%0.82779%0.785SS**  trans-72.5109.3171.7-64.7174.7000108.2H78 L82H78-L80 PolarHBondContact O-N 3.16Å; L80-L82 PolarHBondContact O-N 3.26Å
81V55.4Low49Very low121 Ų121154.3 Ų154.373%0.73379%0.785SS**  trans-80.2104.7170.2179.60000107.4P79 K83P79-V81 PolarHBondContact O-N 3.36Å; V81-K83 PolarHBondContact O-N 2.66Å
82L52.2Low48.9Very low156 Ų156157.6 Ų157.682%0.81780%0.797SS**  trans-71.7107.5168.2-65.6173.4000107.8L80 T84L80-L82 PolarHBondContact O-N 3.26Å; L82-T84 PolarHBondContact O-N 2.88Å
83K46.8Very low49.4Very low183 Ų183160.3 Ų160.380%0.79680%0.8SS**  trans-73.1107.8167.7-67.4-178.1179179.60107.3V81 N85V81-K83 PolarHBondContact O-N 2.66Å; K83-N85 PolarHBondContact O-N 3.3Å
84T47.9Very low49Very low118 Ų118163.3 Ų163.372%0.72480%0.801SS**  trans-73.110716552.90000107.2L82 F86L82-T84 PolarHBondContact O-N 2.88Å; T84-F86 PolarHBondContact O-N 3.43Å
85N43.4Very low48.5Very low147 Ų147160 Ų16079%0.78680%0.795SS**  trans-74105.3165.6-58.9-18.4000105.8K83 E87K83-N85 PolarHBondContact O-N 3.3Å; N85-E87 PolarHBondContact O-N 3.24Å
86F45.8Very low48.1Very low195 Ų195160.6 Ų160.686%0.85580%0.799SS**  trans-80.2102.6163.8-112.6-97.3000105.7T84T84-F86 PolarHBondContact O-N 3.43Å
87E48.3Very low48.2Very low173 Ų173160.1 Ų160.181%0.80880%0.798SS**  trans-95.3108.5164-156.5153.9-147.200105.5N85 E89N85-E87 PolarHBondContact O-N 3.24Å; E87-E89 PolarHBondContact O-N 3.25Å
88E46.6Very low47.6Very low165 Ų165158.7 Ų158.777%0.77180%0.796SS**  trans-78.797.5176.1-177.2174-144.900106.5
89E50.3Low46.7Very low184 Ų184156.6 Ų156.686%0.8681%0.805SS**  trans-103.7105.2161.5-76.2-168.2160.200108.1E87E87-E89 PolarHBondContact O-N 3.25Å
90E49.5Very low46.6Very low156 Ų156157 Ų15773%0.72981%0.81SS**  trans-81.5147.7170.6-112.6-179.116400110.4
91E47.3Very low46.5Very low178 Ų178154 Ų15483%0.83280%0.803SS**  trans74.6134.6165.6-58.2-179.3157.400115.7
92E43.3Very low46.1Very low186 Ų186155.6 Ų155.687%0.86981%0.807SS**  cis-141.8158.429.4-74.5179138.800112.5
93E47.2Very low46.1Very low193 Ų193159.3 Ų159.390%0.90281%0.81SS**  trans-61.5117.3174.1-176-179.8-162.500113
94E41.3Very low46.6Very low182 Ų182156.8 Ų156.885%0.8581%0.81SS**  trans-148.8106.4149.5-156.5173-172.400110.4
95E42.7Very low47.9Very low154 Ų154155.5 Ų155.572%0.7279%0.794SS**  trans29.9112.9153.6-157.3175.7-177.800119.9N97E95-N97 PolarHBondContact O-N 3.42Å
96P40.6Very low49.7Very low140 Ų140151.7 Ų151.791%0.90978%0.777SS**  trans-88.795.2168.534.2-27.8000110
97N49.6Very low51.4Low134 Ų134147.3 Ų147.372%0.71777%0.768SS**  trans-122.7131.4157.9-154.3-23.7000109E95E95-N97 PolarHBondContact O-N 3.42Å
98D44.1Very low53.1Low142 Ų142145.9 Ų145.976%0.75976%0.761SS**  trans83.573.3167.4-132.63.7000118.8
99A32.5Very low55Low106 Ų106141.7 Ų141.788%0.87674%0.741SS**  trans-145.431.5155.100000113.9
100S51.9Low56.8Low125 Ų125135.3 Ų135.387%0.87471%0.712SS**  trans-104.137.2171.7-1780000112.3
101S50.6Low58.8Low97 Ų97134.7 Ų134.768%0.67871%0.71SS**  trans-137.367.8-178-170.60000111.6
102L46.5Very low60.7Low154 Ų154132 Ų13281%0.80670%0.697SS**  trans-158.440.4162.1-125.9143.3000114.1
103W51.1Low63Low234 Ų234127.6 Ų127.689%0.88668%0.675SS**  trans-118.775.3165.5-71.250.1000107.6K105W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 2.87Å
104T57.3Low65.1Low130 Ų130126.6 Ų126.680%0.79866%0.663SS**  trans-70.789.2172.6-34.50000107.8T106T104-T106 PolarHBondContact O-N 3.29Å
105K76.5Confident67.5Low91 Ų91120.3 Ų120.340%0.39664%0.642SS.*  trans-59.8125.9177-69.3-177.4169.3170.80109.1W103 E109 I110W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 2.87Å; K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; K105-I110 HydrophobicContact CB-CD1 4.29Å; K105-I110 HydrophobicContact CB-CG1 3.94Å
106T80.3Confident69.8Low67 Ų67117.3 Ų117.341%0.41163%0.63SS.*  trans-65.1152.3176.759.40000109.7T104 E108 E109 I110T104-T106 PolarHBondContact O-N 3.29Å; T106-E108 PolarHBondContact O-N 3.31Å; T106-E108 VanDerWaalsContact O-N 3.15Å; T106-E109 WeakPolarHBondContact O-CB 3.5Å; T106-E109 PolarHBondContact O-N 3.48Å; T106-E109 PolarHBondContact OG1-N 2.89Å; T106-I110 WeakPolarHBondContact O-CG1 3.25Å; T106-I110 PolarHBondContact O-N 2.86Å
107P82.8Confident72.2Confident103 Ų103118.3 Ų118.367%0.66962%0.62SS**Hα-helixtrans-56.2-30.9178.419.8-31.3000112.8I110 E111P107-I110 PolarHBondContact O-N 3.04Å; P107-E111 PolarHBondContact O-N 3.48Å
108E83.5Confident74Confident143 Ų143116.7 Ų116.767%0.66861%0.608SS**Hα-helixtrans-66.4-44.2175.4-65.8150.9-174.700111.8T106 I110 E111 E112T106-E108 PolarHBondContact O-N 3.31Å; T106-E108 VanDerWaalsContact O-N 3.15Å; E108-I110 PolarHBondContact O-N 2.92Å; E108-E111 PolarHBondContact O-N 3.47Å; E108-E112 WeakPolarHBondContact O-CB 3.48Å; E108-E112 PolarHBondContact O-N 3.43Å
109E85.1Confident76Confident76 Ų76116.1 Ų116.136%0.35560%0.602SS.*Hα-helixtrans-66.1-30.3175.3-164.4-16615100111.4K105 T106 K113K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; T106-E109 WeakPolarHBondContact O-CB 3.5Å; T106-E109 PolarHBondContact O-N 3.48Å; T106-E109 PolarHBondContact OG1-N 2.89Å; E109-K113 WeakPolarHBondContact O-CB 3.39Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.31Å
110I88.9Confident78.7Confident50 Ų50113.2 Ų113.226%0.25658%0.575SS.*Hα-helixtrans-72.7-35.8175.7-62.4175.1000111.9K105 T106 P107 E108 K113 R114K105-I110 HydrophobicContact CB-CD1 4.29Å; K105-I110 HydrophobicContact CB-CG1 3.94Å; T106-I110 WeakPolarHBondContact O-CG1 3.25Å; T106-I110 PolarHBondContact O-N 2.86Å; P107-I110 PolarHBondContact O-N 3.04Å; E108-I110 PolarHBondContact O-N 2.92Å; I110-K113 VanDerWaalsContact O-CG 3.24Å; I110-K113 WeakPolarHBondContact O-CG 3.31Å; I110-R114 WeakPolarHBondContact O-CD 3.29Å; I110-R114 VanDerWaalsContact O-CG 3.23Å; I110-R114 WeakPolarHBondContact O-CG 3.33Å; I110-R114 PolarHBondContact O-N 3.28Å
111E92.1Very high80.2Confident143 Ų143116.2 Ų116.267%0.66857%0.569SS**Hα-helixtrans-73.3-43174.6-173.6173.8-174.100110.9P107 E108 K113 R114 A115P107-E111 PolarHBondContact O-N 3.48Å; E108-E111 PolarHBondContact O-N 3.47Å; E111-K113 PolarHBondContact O-N 2.86Å; E111-R114 WeakPolarHBondContact O-CB 3.48Å; E111-R114 PolarHBondContact O-N 3.21Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.82Å
112E87.6Confident81.8Confident122 Ų122118.7 Ų118.757%0.5757%0.567SS**Hα-helixtrans-60.3-47.9177.6-175179.4-178.400111.5E108 R114 A115 I116E108-E112 WeakPolarHBondContact O-CB 3.48Å; E108-E112 PolarHBondContact O-N 3.43Å; E112-R114 PolarHBondContact O-N 3.08Å; E112-A115 PolarHBondContact O-N 3.28Å; E112-I116 HydrophobicContact CG-CD1 3.85Å; E112-I116 HydrophobicContact CG-CG1 4.45Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.36Å; E112-I116 PolarHBondContact O-N 2.85Å
113K89.9Confident83.4Confident94 Ų94114.5 Ų114.541%0.40955%0.551SS.*Hα-helixtrans-63.1-31.2176.874.6-171.8-174.3-167.70112.6E109 I110 E111 K117E109-K113 WeakPolarHBondContact O-CB 3.39Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.31Å; I110-K113 VanDerWaalsContact O-CG 3.24Å; I110-K113 WeakPolarHBondContact O-CG 3.31Å; E111-K113 PolarHBondContact O-N 2.86Å; K113-K117 VanDerWaalsContact O-CB 3.23Å; K113-K117 WeakPolarHBondContact O-CB 3.39Å; K113-K117 PolarHBondContact O-N 3.22Å; K113-K117 VanDerWaalsContact O-N 3.08Å
114R91.3Very high84.4Confident172 Ų172105.8 Ų105.865%0.64953%0.534SS*.Hα-helixtrans-72.8-43.5175.9-76.4174.2-175.3-175.14.1110.6I110 E111 E112 K117 E118I110-R114 WeakPolarHBondContact O-CD 3.29Å; I110-R114 VanDerWaalsContact O-CG 3.23Å; I110-R114 WeakPolarHBondContact O-CG 3.33Å; I110-R114 PolarHBondContact O-N 3.28Å; E111-R114 WeakPolarHBondContact O-CB 3.48Å; E111-R114 PolarHBondContact O-N 3.21Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E112-R114 PolarHBondContact O-N 3.08Å; R114-K117 PolarHBondContact O-N 3.11Å; R114-E118 WeakPolarHBondContact O-CB 2.99Å; R114-E118 PolarHBondContact O-N 2.96Å
115A91.9Very high84.3Confident49 Ų49107 Ų10741%0.40553%0.53SS..Hα-helixtrans-61-47.917600000111.2E111 E112 K117 E118 M119E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.82Å; E112-A115 PolarHBondContact O-N 3.28Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 3.37Å; A115-E118 PolarHBondContact O-N 2.88Å; A115-M119 WeakPolarHBondContact O-CB 3.27Å; A115-M119 WeakPolarHBondContact O-CG 3.11Å; A115-M119 PolarHBondContact O-N 3.09Å
116I91.3Very high83.2Confident91 Ų91110.5 Ų110.547%0.46754%0.542SS..Hα-helixtrans-59.9-46.4176.2-65.8167.2000110.3E112 E118 M119 C120E112-I116 HydrophobicContact CG-CD1 3.85Å; E112-I116 HydrophobicContact CG-CG1 4.45Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.36Å; E112-I116 PolarHBondContact O-N 2.85Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-E118 PolarHBondContact O-N 3.05Å; I116-M119 PolarHBondContact O-N 3.4Å; I116-C120 WeakPolarHBondContact O-CB 3.42Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-C120 PolarHBondContact O-SG 3.19Å
117K90.8Very high81.9Confident162 Ų162117.5 Ų117.570%0.70456%0.563SS**Hα-helixtrans-61.3-41.4178.6-174.9176.7-178.4179.90112.5K113 R114 A115 C120 Y121K113-K117 VanDerWaalsContact O-CB 3.23Å; K113-K117 WeakPolarHBondContact O-CB 3.39Å; K113-K117 PolarHBondContact O-N 3.22Å; K113-K117 VanDerWaalsContact O-N 3.08Å; R114-K117 PolarHBondContact O-N 3.11Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 3.37Å; K117-C120 PolarHBondContact O-N 3.34Å; K117-Y121 WeakPolarHBondContact O-CB 3.47Å; K117-Y121 PolarHBondContact O-N 3.03Å
118E88.6Confident80.4Confident99 Ų99123 Ų12346%0.46357%0.57SS.*Hα-helixtrans-67.2-42.1177.4-171.5-175.5160.600111.5R114 A115 I116 Y121 K122R114-E118 WeakPolarHBondContact O-CB 2.99Å; R114-E118 PolarHBondContact O-N 2.96Å; A115-E118 PolarHBondContact O-N 2.88Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-E118 PolarHBondContact O-N 3.05Å; E118-Y121 PolarHBondContact O-N 3.22Å; E118-K122 HydrophobicContact CG-CD 4.16Å; E118-K122 WeakPolarHBondContact O-CB 3.42Å; E118-K122 WeakPolarHBondContact O-CG 3.24Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 VanDerWaalsContact OE1-CE 3.31Å; E118-K122 WeakPolarHBondContact OE1-CE 3.48Å; E118-K122 IonicContact OE1-NZ 2.66Å; E118-K122 PolarHBondContact OE1-NZ 3.33Å
119M85.8Confident78.4Confident130 Ų130125.7 Ų125.764%0.6458%0.58SS**Hα-helixtrans-62.3-43174.9-69.1-60.9-64.400111.5A115 I116 K122 S123A115-M119 WeakPolarHBondContact O-CB 3.27Å; A115-M119 WeakPolarHBondContact O-CG 3.11Å; A115-M119 PolarHBondContact O-N 3.09Å; I116-M119 PolarHBondContact O-N 3.4Å; M119-K122 PolarHBondContact O-N 3.19Å; M119-S123 VanDerWaalsContact O-CB 3.24Å; M119-S123 WeakPolarHBondContact O-CB 3.43Å; M119-S123 PolarHBondContact O-N 3.46Å; M119-S123 PolarHBondContact O-OG 3.37Å
120C87.9Confident76.4Confident45 Ų45130.6 Ų130.630%0.30460%0.602SS.*Hα-helixtrans-67.1-36.3175.5-67.20000112.8I116 K117 S123 G124I116-C120 WeakPolarHBondContact O-CB 3.42Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-C120 PolarHBondContact O-SG 3.19Å; K117-C120 PolarHBondContact O-N 3.34Å; C120-S123 VanDerWaalsContact CA-OG 3.31Å; C120-S123 WeakPolarHBondContact CA-OG 3.23Å; C120-S123 PolarHBondContact O-OG 3.27Å; C120-G124 PolarHBondContact O-N 3.28Å
121Y84.7Confident74.3Confident189 Ų189132.3 Ų132.374%0.74162%0.624SS**Hα-helixtrans-68-43.7175.8-178-100.3000111.5K117 E118 G124K117-Y121 WeakPolarHBondContact O-CB 3.47Å; K117-Y121 PolarHBondContact O-N 3.03Å; E118-Y121 PolarHBondContact O-N 3.22Å; Y121-G124 PolarHBondContact O-N 2.73Å
122K84.6Confident72.2Confident149 Ų149130.5 Ų130.565%0.64862%0.624SS**Hα-helixtrans-71.8-33.8178.5-76.7179.5171.2171.60113.5E118 M119 G124E118-K122 HydrophobicContact CG-CD 4.16Å; E118-K122 WeakPolarHBondContact O-CB 3.42Å; E118-K122 WeakPolarHBondContact O-CG 3.24Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 VanDerWaalsContact OE1-CE 3.31Å; E118-K122 WeakPolarHBondContact OE1-CE 3.48Å; E118-K122 IonicContact OE1-NZ 2.66Å; E118-K122 PolarHBondContact OE1-NZ 3.33Å; M119-K122 PolarHBondContact O-N 3.19Å; K122-G124 VanDerWaalsContact C-N 3.25Å; K122-G124 PolarHBondContact O-N 3.12Å
123S79.9Confident70.1Confident66 Ų66130.7 Ų130.746%0.46264%0.636SS.*Hα-helixtrans-77.7-8.8176.954.60000113.4M119 C120 E125M119-S123 VanDerWaalsContact O-CB 3.24Å; M119-S123 WeakPolarHBondContact O-CB 3.43Å; M119-S123 PolarHBondContact O-N 3.46Å; M119-S123 PolarHBondContact O-OG 3.37Å; C120-S123 VanDerWaalsContact CA-OG 3.31Å; C120-S123 WeakPolarHBondContact CA-OG 3.23Å; C120-S123 PolarHBondContact O-OG 3.27Å; S123-E125 PolarHBondContact O-N 3.2Å; S123-E125 VanDerWaalsContact O-N 3.16Å
124G70.5Confident68Low51 Ų51133.7 Ų133.753%0.52666%0.657SS.*THydrogen-bonded Turntrans68.77.5178.200000114.3C120 Y121 K122 Y126C120-G124 PolarHBondContact O-N 3.28Å; Y121-G124 PolarHBondContact O-N 2.73Å; K122-G124 VanDerWaalsContact C-N 3.25Å; K122-G124 PolarHBondContact O-N 3.12Å; G124-Y126 PolarHBondContact O-N 2.96Å
125E57.2Low65.5Low156 Ų156132.8 Ų132.873%0.72966%0.663SS**THydrogen-bonded Turntrans-70.7-12.4179.9-66.3-172.7158.500112.8S123S123-E125 PolarHBondContact O-N 3.2Å; S123-E125 VanDerWaalsContact O-N 3.16Å
126Y52Low63.2Low164 Ų164136.4 Ų136.464%0.64368%0.683SS**THydrogen-bonded Turntrans-81.3-13.2-176.4-168.5-101.7000115.1G124G124-Y126 PolarHBondContact O-N 2.96Å
127Y52.7Low60.6Low214 Ų214137.8 Ų137.884%0.83970%0.7SS**  trans-117.574173.6-89.3-86.1000111.7
128R52.4Low58Low219 Ų219135.1 Ų135.183%0.82670%0.702SS**  trans-14156.5155.3-164.7-175.8-86.6140.9-4.9110.9
129F41.3Very low55.6Low199 Ų199140.2 Ų140.287%0.87372%0.723SS**  trans-106.5126.8156.8-74.6-77000108.4A131F129-A131 PolarHBondContact O-N 2.88Å
130H43.5Very low53.1Low179 Ų179139.2 Ų139.283%0.82973%0.728SS**PPolyproline II helixtrans-59.6119.2179.6-69.2-90.3000110.1
131A45Very low50.6Low85 Ų85143.5 Ų143.570%0.70275%0.753SS**PPolyproline II helixtrans-68131.7161.300000108.4F129F129-A131 PolarHBondContact O-N 2.88Å
132P47Very low48.3Very low105 Ų105138.8 Ų138.868%0.68275%0.753SS**PPolyproline II helixtrans-57.8146.9167.2-19.331.6000110.1D134P132-D134 PolarHBondContact O-N 3.21Å; P132-D134 VanDerWaalsContact O-N 3.08Å
133P44.2Very low46.1Very low127 Ų127137 Ų13783%0.82576%0.756SS**  trans-65.8112.4175.2-13.126.8000109.7I135P133-I135 PolarHBondContact O-N 3.05Å
134D44.8Very low43.6Very low156 Ų156139.9 Ų139.983%0.83477%0.772SS**  trans-66.6123.9170.4-70.4-43.2000109.7P132P132-D134 PolarHBondContact O-N 3.21Å; P132-D134 VanDerWaalsContact O-N 3.08Å
135I39.3Very low41.9Very low154 Ų154143.2 Ų143.279%0.7978%0.781SS**  trans-66.6141.1172.6-62.9171.4000108.4P133 S137P133-I135 PolarHBondContact O-N 3.05Å; I135-S137 PolarHBondContact O-N 3.3Å; I135-S137 VanDerWaalsContact O-N 3.13Å
136P43.2Very low40.9Very low125 Ų125145.3 Ų145.381%0.81279%0.791SS**  trans-69.5112.1-171.127.7-35.1000111.7
137S38.2Very low40.4Very low119 Ų119146.3 Ų146.383%0.83280%0.799SS**  trans-95124.6168.1-174.40000110.7I135I135-S137 PolarHBondContact O-N 3.3Å; I135-S137 VanDerWaalsContact O-N 3.13Å
138S34.5Very low39.4Very low106 Ų106144.2 Ų144.274%0.74180%0.797SS**  trans-63.4140.2-174.414.50000115.9
139K39.4Very low38.4Very low206 Ų206142.4 Ų142.490%0.89680%0.803SS**  trans33.2118146.4-78.9175.8175.5173.10119.1
140S32.8Very low37.8Very low109 Ų109141.2 Ų141.276%0.76280%0.8SS**  trans-172.6103132.7-177.40000110.4
141V35.2Very low37.4Very low136 Ų136142.4 Ų142.482%0.82480%0.802SS**  63.3114116.9-175.20000116.2
142A36.7Very low37.1Very low90 Ų90144.1 Ų144.174%0.74481%0.806SS**  trans-80154.1168.500000112.4
143P37.5Very low36.2Very low110 Ų110146.4 Ų146.471%0.71481%0.812SS**  trans-132.3126.5137.624-4.8000111.5
144T29.3Very low35.8Very low128 Ų128149.9 Ų149.979%0.78582%0.817SS**  86.311193.5-31.10000113.9
145V34.6Very low34.9Very low120 Ų120148.3 Ų148.373%0.72781%0.814SS**  trans7.5120.8149176.10000117.6
146E36.5Very low34.5Very low201 Ų201143.9 Ų143.994%0.93981%0.806SS**  trans-134.4127.8136.6-70.2-164.1159.500109.2
147K41.1Very low34.1Very low184 Ų184143.7 Ų143.780%0.881%0.808SS**  trans-103.9154.7174.1-81.1-173.4172.7-175.60108.6
148E31.6Very low34Very low171 Ų171146.6 Ų146.680%0.79981%0.808SS**  trans77.7107.3157.1-73.2-17916400119.3
149L30.6Very low34.4Very low180 Ų180148.6 Ų148.694%0.94281%0.81SS**  -150.6128.9125.1-154.681.1000110.5
150E29.9Very low34.4Very low174 Ų174146.6 Ų146.681%0.81380%0.804SS**PPolyproline II helixtrans-75.9160.9-169.8-59176.5131.500114.4
151K33.8Very low34.9Very low204 Ų204150.3 Ų150.389%0.88781%0.809SS**PPolyproline II helixtrans-103.7140161.2-72.9178.8178.6-1790109.1
152P39Very low34.9Very low121 Ų121147.4 Ų147.479%0.78681%0.806SS**PPolyproline II helixtrans-89140.9179.234.2-30.9000112.9
153L29Very low35Very low153 Ų153151 Ų15180%0.80181%0.813SS**  54.5107.2126.6-160.169.2000118.5
154E35.6Very low35Very low200 Ų200149 Ų14994%0.93581%0.812SS**  trans-127.6127.3145.4-146.5171.4-15700109.3
155T26.2Very low35.5Very low123 Ų123150.3 Ų150.376%0.75581%0.814SS**  trans-89.3138.9-166.1-51.80000110.5
156G30.3Very low35.8Very low62 Ų62151.5 Ų151.564%0.63982%0.822SS**  trans154.9129155.100000117
157S35.3Very low36Very low121 Ų121147.7 Ų147.785%0.84681%0.812SS**  trans66.9101.8169.457.60000116.2
158E35.5Very low36.2Very low179 Ų179144.1 Ų144.184%0.83681%0.807SS**  66.8126.660.4-155.4178.8-170.100113.8
159L42.5Very low36.3Very low148 Ų148143 Ų14378%0.77581%0.813SS**  trans108.3101.4167.3-55.4-179.4000118
160Q40.5Very low37.1Very low164 Ų164142.2 Ų142.277%0.76680%0.802SS**  10494.1121.7-154.4169.4-6.600119.4
161E41.6Very low37.2Very low188 Ų188142.3 Ų142.388%0.87980%0.799SS**  28.1134.7122-59.1172.3158.600121
162G36Very low37.2Very low74 Ų74137.7 Ų137.776%0.76379%0.793SS**  trans139.184.4157.600000111.7
163D37.8Very low36.9Very low165 Ų165138.3 Ų138.388%0.88279%0.789SS**  69.3135.688.2-162.521.6000114.4
164G37.8Very low37.3Very low68 Ų68139.6 Ų139.670%0.70179%0.789SS**  trans139.769.9170.600000116.3
165L39.5Very low37.2Very low156 Ų156137.2 Ų137.282%0.81778%0.777SS**  trans-43.8133.7164.7-65.3154.4000113.9
166T42.8Very low37.7Very low146 Ų146142.1 Ų142.190%0.89678%0.782SS**  trans-151128138.6-44.90000111.1
167V39.2Very low37.9Very low121 Ų121143.9 Ų143.973%0.73379%0.791SS**  trans-77.4156.6-1761680000111.5
168P44.8Very low37.9Very low108 Ų108141.8 Ų141.870%0.70179%0.788SS**  trans-94.3144.5-162.634.9-28.7000113.9
169T35.5Very low37.8Very low149 Ų149142.9 Ų142.991%0.91479%0.793SS**  trans-90.3112.6171.1-53.30000110.5
170K47Very low37.5Very low163 Ų163140.2 Ų140.271%0.70979%0.792SS**  trans-87164.2169.8-71.4-172.3175.7-176.90111.7
171F32.4Very low37.5Very low175 Ų175142.4 Ų142.477%0.76880%0.799SS**  trans100.2110.1152.3-69-81.1000118.9
172S33.4Very low37.1Very low108 Ų108139.6 Ų139.676%0.75580%0.796SS**  178113.197.5610000108.8
173L33.3Very low36.9Very low134 Ų134141.2 Ų141.270%0.70280%0.795SS**  47.711286.8-93.3157.2000115.2
174F36.4Very low36.9Very low180 Ų180141 Ų14179%0.78979%0.793SS**  172.5107.1121.3-91.9-73.4000107.5
175E33Very low36.6Very low149 Ų149144.3 Ų144.370%0.69680%0.795SS**  81.210780.3-153.5-178.4-150.600113.3
176R37.6Very low36.3Very low226 Ų226148.4 Ų148.485%0.85380%0.799SS**  151.4116107.8-158.6164.5-165.4155.53.3112.3
177A34.4Very low36.3Very low100 Ų100150.6 Ų150.683%0.82680%0.796SS**  trans-81.4147.8160.200000109.9
178G34.2Very low36.5Very low77 Ų77150.9 Ų150.979%0.79480%0.801SS**  trans-159.2119.9172.300000110.7
179E34.8Very low36.1Very low202 Ų202156.7 Ų156.794%0.94481%0.809SS**  trans-73.8167.1-166.3-66.1169.3131.200115.8
180A35.8Very low36.5Very low91 Ų91156 Ų15675%0.75281%0.805SS**  trans-56.2157.2-177.600000116.6
181K41.1Very low36Very low210 Ų210154.8 Ų154.891%0.91381%0.806SS**  trans-153.4150.2131.9-69-146.2177.4-1750113
182T32.1Very low36.4Very low130 Ų130154.5 Ų154.580%0.79881%0.81SS**  trans-68.3154-172.452.50000116.7
183S31.8Very low36.5Very low108 Ų108153.1 Ų153.176%0.75581%0.806SS**  160.2147.2115.956.80000115.6
184L37.5Very low36.7Very low159 Ų159151.8 Ų151.883%0.83281%0.814SS**  trans79101.7154.3-73.6157.9000122.1
185D31.4Very low37Very low139 Ų139152.3 Ų152.374%0.74382%0.816SS**  38.3105.4119.8-168.339.9000119.3
186R33.6Very low37.6Very low241 Ų241153.2 Ų153.291%0.90982%0.82SS**  trans-166.5128.7136.4-116.3173.2176.7170.1-0.4112.6
187K43.9Very low37.8Very low192 Ų192149.4 Ų149.484%0.83582%0.817SS**  trans-44.6143.9172.5-66.1168.3174.2176.90114
188P43.3Very low38Very low128 Ų128148.6 Ų148.683%0.83182%0.819SS**PPolyproline II helixtrans-81119.8157.630.6-27.5000109.9
189R36.2Very low37.9Very low230 Ų230149.1 Ų149.187%0.86882%0.823SS**PPolyproline II helixtrans-76.5116.7171-147175.8-170.3167.80.4107.3
190T42.5Very low37.9Very low134 Ų134142.9 Ų142.982%0.82281%0.813SS**PPolyproline II helixtrans-74122.9164.418.30000108.5
191D38.1Very low38.3Very low137 Ų137145.6 Ų145.673%0.73382%0.815SS**  trans-152.6123.6157.5-98.2-35.3000107.2
192I39.8Very low38.2Very low169 Ų169141.7 Ų141.787%0.86781%0.813SS**  -170.9117127.9-85.5148.5000108.2
193A35.9Very low38.6Very low79 Ų79146.4 Ų146.465%0.65382%0.818SS**  trans70.498.6148.400000120.1
194A38.3Very low39Very low106 Ų106145 Ų14588%0.87681%0.813SS**  trans-66.3134.7142.400000110.4
195F41.1Very low39Very low191 Ų191143.5 Ų143.584%0.83881%0.813SS**  trans-125.2102.5145.647-93.5000108.1
196E45.5Very low39.4Very low168 Ų168145.7 Ų145.779%0.78582%0.818SS**  trans20.2109.9139.5-131.2165.9161.900120.7
197N43.4Very low39.5Very low147 Ų147145.5 Ų145.579%0.78682%0.818SS**  72.8114.2127.8-63.2-15.5000123.3
198G36.8Very low39.5Very low83 Ų83142.8 Ų142.886%0.85681%0.811SS**  trans110.6106.7140.300000114.1
199G33.8Very low39.4Very low87 Ų87143.6 Ų143.690%0.89781%0.807SS**  cis119.8116.129.400000107.9
200G34.3Very low39.5Very low71 Ų71141.7 Ų141.773%0.73281%0.805SS**  trans151.260.417400000117.7
201D43.8Very low39.2Very low149 Ų149142.7 Ų142.780%0.79781%0.805SS**  trans47.794139.1-48.2-15.8000120.8
202C39Very low39.4Very low128 Ų128139.9 Ų139.987%0.86581%0.808SS**  trans-81.2114.3154.8440000110.3A204C202-A204 PolarHBondContact O-N 3.29Å
203Y40.1Very low38.9Very low229 Ų229137.8 Ų137.890%0.89880%0.803SS**  trans-71.3108.6169.1-99.2-94.8000109.9
204A41.2Very low39Very low79 Ų79141 Ų14165%0.65381%0.809SS**  trans-111.6128163.800000109.1C202 Q206C202-A204 PolarHBondContact O-N 3.29Å; A204-Q206 PolarHBondContact O-N 3.33Å
205P36.9Very low38.9Very low127 Ų127144.6 Ų144.683%0.82581%0.808SS**  trans-75108.3178-6.522.4000110
206Q39.1Very low38.9Very low184 Ų184140.1 Ų140.186%0.8680%0.8SS**  trans-74.8124.3169.5-83176.5-000110.4A204A204-Q206 PolarHBondContact O-N 3.33Å
207R36.4Very low38.3Very low237 Ų237141.2 Ų141.289%0.89481%0.805SS**  trans-80.8112.2171.3-53.3175.6-167.6-109.91.1106.6I209R207-I209 PolarHBondContact O-N 3.08Å
208I44Very low37.7Very low136 Ų136138.2 Ų138.270%0.69780%0.801SS**  trans-75.2115.5176.8-63.2170.4000108.2F210I208-F210 HydrophobicContact CG2-CD2 3.83Å; I208-F210 HydrophobicContact CG2-CE2 3.67Å; I208-F210 HydrophobicContact CG2-CG 4.44Å; I208-F210 HydrophobicContact CG2-CZ 4.16Å
209I40.8Very low37.5Very low144 Ų144142.2 Ų142.274%0.73880%0.802SS**  trans-89.8114.1163.5-61.8171.8000106R207 L211R207-I209 PolarHBondContact O-N 3.08Å; I209-L211 PolarHBondContact O-N 3.27Å
210F38.8Very low37.3Very low190 Ų190142.1 Ų142.183%0.83379%0.792SS**  trans-78.1108.1167-79.7-87.2000108.3I208I208-F210 HydrophobicContact CG2-CD2 3.83Å; I208-F210 HydrophobicContact CG2-CE2 3.67Å; I208-F210 HydrophobicContact CG2-CG 4.44Å; I208-F210 HydrophobicContact CG2-CZ 4.16Å
211L37Very low37.2Very low156 Ų156147.6 Ų147.682%0.81780%0.799SS**  trans-83.3121.1158.7-81.4163.6000107.2I209I209-L211 PolarHBondContact O-N 3.27Å
212G40.9Very low36.7Very low78 Ų78147.7 Ų147.780%0.80480%0.799SS**  trans-62.3132.4174.700000110.9
213V30.5Very low37Very low125 Ų125151.7 Ų151.776%0.75880%0.802SS**  trans-120.8114.2161.1172.30000105.8E215V213-E215 HydrophobicContact CG1-CG 4.27Å
214D37.2Very low36.7Very low145 Ų145149.5 Ų149.578%0.77580%0.8SS**  trans-74.3120.1167.8179.831.9000107.9
215E36.8Very low36.3Very low182 Ų182150.1 Ų150.185%0.8581%0.805SS**  trans-135.9114.8160-77-172.6149.800107.5V213V213-E215 HydrophobicContact CG1-CG 4.27Å
216S40.7Very low36Very low97 Ų97149.5 Ų149.568%0.67880%0.799SS**  trans-93.2170.1173.444.20000110
217E32.2Very low35.9Very low191 Ų191145.2 Ų145.289%0.89379%0.79SS**  trans99.4130.3-178.5-64.3-166.1153.700114.7
218A31.4Very low35.7Very low84 Ų84143.6 Ų143.669%0.69479%0.789SS**  cis-166.8168.9-3.100000110.4
219L31.6Very low35.1Very low168 Ų168143.2 Ų143.288%0.8880%0.797SS**  trans102.9108.5150.2-63176.4000120.8
220A30.5Very low34.8Very low84 Ų84142 Ų14269%0.69480%0.801SS**  77.6110.5125.400000118.4
221E32.5Very low34.6Very low186 Ų186140.5 Ų140.587%0.86980%0.802SS**  -177.8129.991.2-95.8-178.9161.400110.6
222D33.9Very low34.6Very low151 Ų151139.6 Ų139.681%0.80780%0.803SS**  trans-7.7134.2159.4-57.2-27.1000118.6
223K43.9Very low34.6Very low213 Ų213145.5 Ų145.593%0.92681%0.806SS**  -159122.8109.7-74.2-140.7177.9176.80111.9
224E33.8Very low34.8Very low182 Ų182145.8 Ų145.885%0.8581%0.808SS**  trans-77.9138.8170.4-173.3-177.2172.600111.1
225A33.5Very low34.8Very low92 Ų92146.2 Ų146.276%0.7681%0.81SS**  trans-169.686.2152.500000112.5
226T30.6Very low34.7Very low114 Ų114144 Ų14470%0.69980%0.804SS**  43.2116.7120.2-38.50000121
227S37Very low34.9Very low95 Ų95145.9 Ų145.966%0.66481%0.811SS**  98.6123.8125.871.10000123.7
228K32.4Very low35.2Very low203 Ų203144.1 Ų144.188%0.88380%0.803SS**  trans82.3109137-71.2169.6-175.3-178.90119.8
229C31.4Very low35.9Very low127 Ų127145 Ų14586%0.85880%0.802SS**  trans-26.5143.8157.5-76.50000117.7
230S34.7Very low36.4Very low118 Ų118143.3 Ų143.383%0.82580%0.798SS**  -154.4135.6121.564.40000111.5
231N34Very low36.8Very low160 Ų160151.1 Ų151.186%0.85681%0.81SS**  trans-83.8125.4172.6-98.5-68.8000109
232V37.4Very low37.4Very low137 Ų137151 Ų15183%0.8381%0.806SS**  trans-144130.8149.9-179.50000108.3
233K40.8Very low38Very low201 Ų201149.6 Ų149.687%0.87481%0.805SS**  trans-109.9109-171.3-173.1-174.6-166.8-178.20108.2
234V33.9Very low38.1Very low131 Ų131147.4 Ų147.479%0.79480%0.798SS**  trans-148.2134.2158.8178.90000109
235N38.2Very low38.6Very low155 Ų155147.5 Ų147.583%0.82980%0.796SS**  trans-52.6135-175.2-59.1-59000114.2
236D34.3Very low39.5Very low134 Ų134151.5 Ų151.572%0.71780%0.796SS**  trans-141.3120.4147.9-162.89.6000109
237V45.2Very low40.1Very low137 Ų137149.6 Ų149.683%0.8380%0.799SS**  trans-90.7105.9176172.10000106.3
238Q39.1Very low40.6Very low154 Ų154151.1 Ų151.172%0.7280%0.804SS**  trans-108.4136.5170.9-81.2-79.2-34.400110.2
239P44.4Very low41.5Very low104 Ų104150.6 Ų150.668%0.67580%0.802SS**  trans-78.1149.7-169.630.6-32.6000113.1R241P239-R241 PolarHBondContact O-N 3.33Å
240V42.8Very low42.4Very low132 Ų132154 Ų15480%0.880%0.802SS**  trans-19.6113.6167.2178.50000114.7
241R39.3Very low43.2Very low248 Ų248159.3 Ų159.394%0.93680%0.804SS**  trans-91.8106162.6-83.6-176.8167.2172.4-2.3110P239P239-R241 PolarHBondContact O-N 3.33Å
242K45.5Very low43.9Very low183 Ų183161 Ų16180%0.79680%0.804SS**  trans-59.4139.4166-67.1171.7178.7175.20109.5H244K242-H244 PolarHBondContact O-N 3.43Å
243P46.6Very low43.8Very low122 Ų122166.2 Ų166.279%0.79281%0.809SS**  trans-65.5123171.623.7-28.6000109.9F245P243-F245 PolarHBondContact O-N 2.89Å
244H46.1Very low44.1Very low166 Ų166164 Ų16477%0.76981%0.805SS**  trans-6798.2178.2-171.3-68.4000109.7K242 K246K242-H244 PolarHBondContact O-N 3.43Å; H244-K246 PolarHBondContact O-N 3.17Å
245F43.1Very low44Very low185 Ų185167.5 Ų167.581%0.81181%0.805SS**  trans-63.8105.4172.6-131-92000108.3P243 G247P243-F245 PolarHBondContact O-N 2.89Å; F245-G247 PolarHBondContact O-N 3.36Å
246K52.5Low44.2Very low176 Ų176167.5 Ų167.577%0.76581%0.805SS**  trans-66.6120.6171.1-68.8-158.2179.5-168.80107.8H244 V248H244-K246 PolarHBondContact O-N 3.17Å; K246-V248 PolarHBondContact O-N 3.23Å
247G44.1Very low44.7Very low74 Ų74168.7 Ų168.776%0.76381%0.806SS**  trans-52.3126.1-173.400000113F245 K249F245-G247 PolarHBondContact O-N 3.36Å; G247-K249 PolarHBondContact O-N 3.23Å
248V46Very low44.7Very low126 Ų126167.1 Ų167.176%0.76480%0.799SS**  trans-67.6114.1166.2174.50000107.6K246 K250K246-V248 PolarHBondContact O-N 3.23Å; V248-K250 PolarHBondContact O-N 2.91Å; V248-K250 VanDerWaalsContact O-N 3.13Å
249K52.4Low44.8Very low192 Ų192169.5 Ų169.584%0.83581%0.807SS**  trans-59.1113.5174.9-169.1172.2-177.11750109G247 R251G247-K249 PolarHBondContact O-N 3.23Å; K249-R251 PolarHBondContact O-N 3.08Å
250K49.5Very low44.7Very low198 Ų198171.7 Ų171.786%0.86181%0.813SS**  trans-54.6112.7172-72.8-176.2176.8177.20108.9V248 K252V248-K250 PolarHBondContact O-N 2.91Å; V248-K250 VanDerWaalsContact O-N 3.13Å; K250-K252 PolarHBondContact O-N 3.3Å
251R51.2Low44.6Very low231 Ų231174.9 Ų174.987%0.87282%0.817SS**  trans-71113.7164.1-81-175.8-74.6-162.3-2.5107.2K249 W253K249-R251 PolarHBondContact O-N 3.08Å; R251-W253 PolarHBondContact O-N 3.22Å
252K48.8Very low45Very low194 Ų194169 Ų16984%0.84381%0.81SS**  trans-66.1118.5166.1-73.9178.9174.8-178.90107.1K250 I254K250-K252 PolarHBondContact O-N 3.3Å; K252-I254 PolarHBondContact O-N 3.38Å
253W36.8Very low44.5Very low248 Ų248163.8 Ų163.894%0.93981%0.809SS**  trans-71.2115165.8-69.191.5000107.3R251R251-W253 PolarHBondContact O-N 3.22Å
254I46.5Very low44.2Very low153 Ų153163.8 Ų163.879%0.78581%0.811SS**  trans-92.7120.2166.2-59173.9000105.1K252 D256K252-I254 PolarHBondContact O-N 3.38Å; I254-D256 PolarHBondContact O-N 3.25Å
255Y32Very low43.6Very low205 Ų205159.3 Ų159.380%0.80481%0.81SS**  trans-68.6119.1170.4-160.8-94.9000107.3E257Y255-E257 PolarHBondContact O-N 3.27Å
256D41.2Very low43.3Very low155 Ų155158.5 Ų158.583%0.82981%0.811SS**  trans-80.2106.2174.3-142.5-4.5000107.4I254I254-D256 PolarHBondContact O-N 3.25Å
257E46.1Very low42.4Very low159 Ų159161.8 Ų161.874%0.74382%0.819SS**  trans-64.7129176.7-132.3177.6-177.500108.9Y255 K259Y255-E257 PolarHBondContact O-N 3.27Å; E257-K259 PolarHBondContact O-N 3.09Å
258P44.8Very low42Very low105 Ų105170 Ų17068%0.68283%0.827SS**  trans-65110.1174.923.6-29.8000109.3N260P258-N260 PolarHBondContact O-N 2.99Å
259K41.3Very low41.5Very low203 Ų203168.3 Ų168.388%0.88383%0.826SS**  trans-56.5107.3174-85.8174.7177.6169.80110.2E257E257-K259 PolarHBondContact O-N 3.09Å
260N42.4Very low40.9Very low151 Ų151164.8 Ų164.881%0.80782%0.82SS**PPolyproline II helixtrans-59.7133.5158.4-73.7-75.7000109.2P258P258-N260 PolarHBondContact O-N 2.99Å
261F41.3Very low40.3Very low199 Ų199163.7 Ų163.787%0.87382%0.818SS**PPolyproline II helixtrans-59.1130.1173.5-68.6-88.8000110.3
262P46.7Very low39.7Very low124 Ų124160.1 Ų160.181%0.80582%0.815SS**PPolyproline II helixtrans-74132.9174.728.8-29.7000109.9
263G35.2Very low39.5Very low74 Ų74156.5 Ų156.576%0.76381%0.811SS**PPolyproline II helixtrans-53.5138.8179.100000113.1G265G263-G265 PolarHBondContact O-N 2.96Å; G263-G265 VanDerWaalsContact O-N 3.09Å
264S39.3Very low39.7Very low121 Ų121150.6 Ų150.685%0.84680%0.798SS**  trans-62.6107.5168.4-178.40000108.9
265G34.1Very low39.6Very low72 Ų72148.9 Ų148.974%0.74280%0.797SS**  trans-67.7134.9175.800000111.4G263G263-G265 PolarHBondContact O-N 2.96Å; G263-G265 VanDerWaalsContact O-N 3.09Å
266M36.7Very low40.3Very low169 Ų169148.1 Ų148.183%0.83380%0.797SS**  trans-133.2107.5167.8-162.887.874.200109.6
267R34.7Very low40.1Very low244 Ų244147.9 Ų147.992%0.92179%0.791SS**  trans-149.6103.3145.9-82.4-160-178.4-150.70.1109.5
268R35.6Very low40Very low246 Ų246149.8 Ų149.893%0.92880%0.797SS**  -160.5138.6121.5-100.8-174.1-71-150.55108.8
269A35.2Very low39.9Very low91 Ų91151.3 Ų151.375%0.75280%0.796SS**  trans-81.3174.6-171.900000112.3
270V38.8Very low39.7Very low118 Ų118146 Ų14672%0.71579%0.785SS**  trans105123.3154.2-1500000116.4
271H38.2Very low39.3Very low175 Ų175149.6 Ų149.681%0.8179%0.789SS**  trans100.793.4162.1-66.3-64.8000118.9
272I38.4Very low39.3Very low157 Ų157148.1 Ų148.181%0.80578%0.784SS**  trans-63.3138.3151.9-62.2159.6000108.5
273P44Very low39.1Very low117 Ų117150.7 Ų150.776%0.7679%0.785SS**  -129.1133110.511.49.3000112.3P275P273-P275 WeakPolarHBondContact O-CD 3.47Å
274N41Very low39.3Very low124 Ų124153.2 Ų153.266%0.66378%0.777SS**  trans-53.6136171.7-179.11.4000112.7K276N274-K276 PolarHBondContact OD1-N 3.18Å; N274-K276 VanDerWaalsContact OD1-N 3.09Å
275P43.8Very low39.4Very low118 Ų118153.9 Ų153.977%0.76677%0.771SS**  trans-131.4119.2138.229.1-11.6000112.3P273 H277P273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-H277 PolarHBondContact O-N 3.21Å
276K48Very low40.1Very low188 Ų188158.4 Ų158.482%0.81777%0.77SS**  trans-35.1116.2165.4-60167.4179.2175.60113.1N274N274-K276 PolarHBondContact OD1-N 3.18Å; N274-K276 VanDerWaalsContact OD1-N 3.09Å
277H36.5Very low40.6Very low150 Ų150156.6 Ų156.669%0.69476%0.764SS**  trans-150.7114.6148.6-155.4-73.3000110.6P275 M279P275-H277 PolarHBondContact O-N 3.21Å; H277-M279 HydrophobicContact CB-CE 4.15Å; H277-M279 WeakPolarHBondContact ND1-CE 3.5Å; H277-M279 PolarHBondContact ND1-SD 3.13Å
278K44.9Very low41.1Very low200 Ų200155.9 Ų155.987%0.8776%0.761SS**  trans-74.6124.7179.5-64.8-177.9176.7-176.10109.3
279M42.4Very low41.4Very low136 Ų136151.8 Ų151.867%0.6776%0.758SS**  trans-120.188.4160.6-39.5-59.6-175.800107.1H277 Y281H277-M279 HydrophobicContact CB-CE 4.15Å; H277-M279 WeakPolarHBondContact ND1-CE 3.5Å; H277-M279 PolarHBondContact ND1-SD 3.13Å; M279-Y281 PolarHBondContact O-N 3.23Å
280S36.3Very low41.8Very low92 Ų92152.1 Ų152.164%0.64376%0.76SS**  trans-79.1108170.91700000107.7H282S280-H282 PolarHBondContact OG-CD2 3.3Å
281Y34.9Very low42.1Very low226 Ų226154.6 Ų154.689%0.88676%0.764SS**  trans-9298.8159.4-80.5-81.8000107.6M279 H283M279-Y281 PolarHBondContact O-N 3.23Å; Y281-H283 PolarHBondContact O-N 3.39Å
282H40.3Very low42.1Very low169 Ų169153.5 Ų153.578%0.78276%0.764SS**  trans-68.8121.9173.3-114-76.7000109.8S280 H284S280-H282 PolarHBondContact OG-CD2 3.3Å; H282-H284 PolarHBondContact O-N 3.41Å; H282-H284 VanDerWaalsContact O-N 3.15Å
283H42.5Very low41.9Very low178 Ų178150.7 Ų150.782%0.82477%0.765SS**  trans-63.3106.3166.9-145.2-70.9000108.4Y281 N285Y281-H283 PolarHBondContact O-N 3.39Å; H283-N285 PolarHBondContact O-N 3.36Å
284H39.2Very low42Very low127 Ų127150.9 Ų150.959%0.58877%0.769SS**  trans-97.278.9-178.7-168.3-69.8000110.4H282 K286H282-H284 PolarHBondContact O-N 3.41Å; H282-H284 VanDerWaalsContact O-N 3.15Å; H284-K286 WeakPolarHBondContact CE1-CD 3.48Å; H284-K286 WeakPolarHBondContact CE1-CE 3.24Å; H284-K286 WeakPolarHBondContact CE1-CG 3.34Å; H284-K286 PolarHBondContact CE1-NZ 3.28Å; H284-K286 WeakPolarHBondContact NE2-CD 3.23Å; H284-K286 WeakPolarHBondContact NE2-CE 3.37Å; H284-K286 PolarHBondContact NE2-NZ 3.34Å
285N42.2Very low41.7Very low134 Ų134153.9 Ų153.972%0.71777%0.772SS**  trans-80.7106.2159.6-174.10.4000107.6H283H283-N285 PolarHBondContact O-N 3.36Å
286K49.4Very low41.5Very low167 Ų167154.2 Ų154.273%0.72677%0.772SS**  trans-107.283.2167.5-91.5-168.4-165145.80109.5H284H284-K286 WeakPolarHBondContact CE1-CD 3.48Å; H284-K286 WeakPolarHBondContact CE1-CE 3.24Å; H284-K286 WeakPolarHBondContact CE1-CG 3.34Å; H284-K286 PolarHBondContact CE1-NZ 3.28Å; H284-K286 WeakPolarHBondContact NE2-CD 3.23Å; H284-K286 WeakPolarHBondContact NE2-CE 3.37Å; H284-K286 PolarHBondContact NE2-NZ 3.34Å
287N45.6Very low41Very low132 Ų132153.6 Ų153.671%0.70677%0.772SS**  trans-76.5117.4137.11429.9000106.2
288R45.8Very low41.1Very low229 Ų229150.3 Ų150.386%0.86477%0.77SS**  trans-160.5105.5147.9-138.9176-178.5-178.6-0.2110.1
289N41.1Very low41Very low159 Ų159147 Ų14785%0.8577%0.77SS**  trans-66.2136.4160.1-72.2-20.2000109
290A43.9Very low40.7Very low98 Ų98152 Ų15281%0.8178%0.781SS**  trans-144.6131.7155.800000107.2
291E45.7Very low40.5Very low170 Ų170155.4 Ų155.479%0.79479%0.792SS**  trans-79.6169-160.7-60.5153.7153.900113.2
292N37.1Very low40.6Very low152 Ų152149.5 Ų149.581%0.81379%0.79SS**  trans84.493.2156.3-51.2-39.6000118.4
293A35.1Very low40.3Very low99 Ų99147.5 Ų147.582%0.81879%0.789SS**  -175.1109.7119.800000109.6Y295A293-Y295 PolarHBondContact O-N 3.34Å
294S46.4Very low40.3Very low120 Ų120151 Ų15184%0.83980%0.795SS**  trans-63.8118.3164.451.60000109.9
295Y34.4Very low40.1Very low188 Ų188150.9 Ų150.974%0.73780%0.803SS**  trans-132.192.3162.3-166.3-102.4000109.6A293A293-Y295 PolarHBondContact O-N 3.34Å
296T39.8Very low39.6Very low124 Ų124150.6 Ų150.676%0.76181%0.806SS**  trans-64.2127.1166.721.40000109.8A298T296-A298 PolarHBondContact O-N 3.36Å
297H37.9Very low38.7Very low176 Ų176148 Ų14882%0.81580%0.804SS**  trans-78106160.4-83.1-82.7000108.7
298A38.1Very low38.2Very low80 Ų80148.5 Ų148.566%0.66181%0.806SS**  trans-104.7145.4161.400000109.3T296T296-A298 PolarHBondContact O-N 3.36Å
299P42.2Very low37.6Very low132 Ų132145.1 Ų145.186%0.85781%0.805SS**  trans-73136.4-177.832.6-34.8000110.1
300R36.6Very low37.3Very low240 Ų240141.8 Ų141.891%0.90680%0.8SS**  trans-94.9112.8174.8-78.9-163.1175-171.70.2110.5
301D32.2Very low37.7Very low164 Ų164142.8 Ų142.888%0.87780%0.798SS**  trans-80.2135.7150.1-76.5-39.3000109.4
302A36.7Very low37.6Very low101 Ų101140.3 Ų140.384%0.83580%0.797SS**  trans-123.2113.9168.100000108.8
303V35.2Very low37.9Very low128 Ų128144.9 Ų144.978%0.77680%0.803SS**  trans-80.1138.4177.1172.40000110.4
304R41Very low37.9Very low252 Ų252145.7 Ų145.795%0.95180%0.803SS**  trans-111.4140.4151.4-82.2-174.8175.5134.9-2.3109.1
305T36.2Very low37.6Very low124 Ų124151.4 Ų151.476%0.76181%0.806SS**  trans-88.5173.2-174.238.60000114.6
306V30.9Very low38.3Very low128 Ų128148.1 Ų148.178%0.77681%0.807SS**  trans104.6122.7164.2-178.20000112.4
307T30.8Very low38.1Very low111 Ų111148.9 Ų148.968%0.68181%0.812SS**  cis-165.1151.311.29.50000110.9
308L35.1Very low37.9Very low143 Ų143145.7 Ų145.775%0.74981%0.81SS**  trans59.4103.1143.3-61164000121.7
309N33.3Very low37.5Very low158 Ų158152.9 Ų152.985%0.84582%0.82SS**  164.1136.9102.7-83.3-40.1000111.7
310A35.7Very low37.5Very low89 Ų89150.8 Ų150.874%0.73681%0.808SS**  trans-114.8-162.9179.300000109.6
311P50.4Low37.5Very low119 Ų119149.6 Ų149.677%0.77381%0.805SS**  -119.7-152.3-74.438.5-19.3000109.1
312P45.4Very low37.7Very low119 Ų119149.1 Ų149.177%0.77380%0.802SS**  cis-142.1177.50.939.3-16.4000118.7
313R43.3Very low37.9Very low247 Ų247154.5 Ų154.593%0.93281%0.807SS**  trans-34.8149.7162.7-71.2170.9160.4-128.9-2.1118.4
314S34.1Very low37.9Very low117 Ų117152.5 Ų152.582%0.81880%0.804SS**  trans-156.7103.9140.757.80000109.6
315R39.8Very low37.4Very low240 Ų240147.7 Ų147.791%0.90680%0.797SS**  73.7133.491.8-151.7176.8-150.6-147.97115.4
316P50.1Low37.5Very low118 Ų118146.7 Ų146.777%0.76679%0.79SS**  trans-93158.6178.737.4-34.2000112.9
317T35.3Very low37.7Very low140 Ų140147.8 Ų147.886%0.85979%0.792SS**  trans-143129.3171.4-60.20000111.5
318S34.1Very low38Very low110 Ų110151.3 Ų151.377%0.76980%0.798SS**  trans-66.6147.5172.465.20000113.7
319R30.1Very low38.2Very low231 Ų231152.5 Ų152.587%0.87280%0.8SS**  trans-161.6133.8136.9-141.8171.8-173.11780.8112.8
320S41.4Very low38.9Very low87 Ų87150.7 Ų150.761%0.60880%0.796SS**  trans-66.9158.917553.10000114.9
321Y36.6Very low39Very low216 Ų216154.8 Ų154.885%0.84780%0.798SS**  -165.8138.1121.9-102.8-75.5000111.8
322N36Very low38.3Very low153 Ų153157 Ų15782%0.81880%0.802SS**  trans-77.9151.2177.4-64.7-53.7000112.5
323K40.8Very low38.1Very low214 Ų214158.7 Ų158.793%0.9381%0.805SS**  trans-134.4120.2149.2-83.4-86.4-178.81680108.3
324A35.5Very low37.7Very low86 Ų86154.8 Ų154.871%0.71180%0.801SS**  trans-96.3145.8170.200000109.5
325D30.9Very low37.7Very low152 Ų152154.9 Ų154.981%0.81380%0.801SS**  trans171.5105.9135.6-99.3-31000107.4
326V38.9Very low37.9Very low102 Ų102148.9 Ų148.962%0.61879%0.793SS**  63.1112.983.3179.80000112.5
327N33.8Very low37.1Very low152 Ų152149.6 Ų149.681%0.81379%0.79SS**  trans-175.692.9135.1-85.3-39.4000108
328K37.4Very low37.4Very low185 Ų185151 Ų15180%0.80478%0.784SS**  65.5106.8101.6-68.1-130.6-179.7-175.50114.5
329E39Very low37.4Very low168 Ų168154.8 Ų154.879%0.78579%0.79SS**  trans-53.9153.3155.6-74.8178.8139.600111.5
330P48Very low37.5Very low119 Ų119152.3 Ų152.377%0.77379%0.79SS**  -128127.712923-6.1000112.2
331K39.1Very low37.2Very low176 Ų176154 Ų15477%0.76580%0.802SS**  trans-58.9129.6163.6-75.5169.1175.7169.80110.3
332L35.2Very low37Very low165 Ų165150.4 Ų150.486%0.86480%0.802SS**  trans-130.1117.4155.3-71.1177000108.8
333N41Very low37.4Very low154 Ų154147.8 Ų147.882%0.82480%0.796SS**  trans-69127.3168.3-65-76.2000108.9
334L34.6Very low36.9Very low165 Ų165148.7 Ų148.786%0.86480%0.796SS**  trans-159115.6154.4-92.8123.8000109.4
335C34.8Very low37.2Very low119 Ų119151.9 Ų151.980%0.80480%0.801SS**  trans-79.2141.5158.7-166.50000107.1
336P43.3Very low37.5Very low114 Ų114147.2 Ų147.274%0.7479%0.788SS**  -148.8146.590.734.3-14.5000115.7
337D32.8Very low37.8Very low133 Ų133148.1 Ų148.171%0.71180%0.799SS**  trans41.3143.7131.8-153.820.8000121.9
338K42.8Very low38.5Very low170 Ų170145.2 Ų145.274%0.73980%0.796SS**  trans84.988.7166.4-48.6178.4-176.31790118.2
339H32.7Very low38.9Very low190 Ų190148.8 Ų148.888%0.8881%0.805SS**  -157.4113.8122.6-113.543.2000111.7S341H339-S341 PolarHBondContact O-N 3.31Å
340M32.3Very low39.6Very low179 Ų179151.7 Ų151.788%0.88281%0.809SS**  trans-67.5121.7172.2-63-165.374.100109T342M340-T342 PolarHBondContact O-N 3.35Å
341S35.8Very low39.7Very low122 Ų122157.4 Ų157.485%0.85382%0.815SS**  trans-76.9104.4164.9-69.90000108.3H339 S343H339-S341 PolarHBondContact O-N 3.31Å; S341-S343 VanDerWaalsContact C-N 3.34Å; S341-S343 PolarHBondContact O-N 3.07Å
342T32.8Very low39.7Very low140 Ų140160.3 Ų160.386%0.85982%0.821SS**  trans-68.488.9175.2-21.70000109.2M340 Y344M340-T342 PolarHBondContact O-N 3.35Å; T342-Y344 PolarHBondContact O-N 3.13Å
343S43.1Very low40.4Very low99 Ų99159.7 Ų159.769%0.69282%0.817SS**  trans-68.1119.2162.8580000108.4S341 N345S341-S343 VanDerWaalsContact C-N 3.34Å; S341-S343 PolarHBondContact O-N 3.07Å; S343-N345 PolarHBondContact O-N 3.33Å
344Y30.3Very low41Very low233 Ų233157.8 Ų157.891%0.91481%0.813SS**  trans-50.3108.2177.1-162.7-100.6000110.6T342 G346T342-Y344 PolarHBondContact O-N 3.13Å; Y344-G346 PolarHBondContact O-N 3.23Å
345N43.2Very low41.4Very low153 Ų153159 Ų15982%0.81881%0.812SS**  trans-79.6112.6-176.2-124.8-21.9000109.4S343S343-N345 PolarHBondContact O-N 3.33Å
346G37.3Very low41.7Very low53 Ų53158.2 Ų158.255%0.54681%0.807SS.*  trans-68.4127.5169.500000111.6Y344 A348Y344-G346 PolarHBondContact O-N 3.23Å; G346-A348 PolarHBondContact O-N 3Å
347S44.1Very low41.7Very low121 Ų121162 Ų16285%0.84681%0.812SS**  trans43.460.2136.8-38.10000118.3W349S347-W349 PolarHBondContact O-N 3.24Å
348A48.9Very low42.2Very low92 Ų92161.8 Ų161.876%0.7682%0.815SS**  trans-91.438.7175.200000114.8G346G346-A348 PolarHBondContact O-N 3Å
349W46.6Very low41.9Very low259 Ų259164.3 Ų164.398%0.98182%0.822SS**  trans-10016.6177.2-74.382.6000115S347S347-W349 PolarHBondContact O-N 3.24Å
350R52.8Low42.4Very low230 Ų230160.4 Ų160.487%0.86882%0.816SS**  trans-121.3105161.6-105.3-168.6-170.3-86.41.1108.4
351R50.7Low42.9Very low238 Ų238159.8 Ų159.890%0.89881%0.808SS**  trans157101.8139.1-84.4163.184.5133.59.9109.8
352R39.3Very low43.3Very low237 Ų237160.4 Ų160.489%0.89481%0.808SS**  trans-167.292.6136.2-101.7-169-62.4-123.96.3108.6
353I50.3Low43.8Very low153 Ų153160.3 Ų160.379%0.78580%0.797SS**  trans-101.1112.1145.8-60172.7000104
354P52.9Low44Very low113 Ų113164.8 Ų164.873%0.73480%0.804SS**  trans-77.7122.3166.9-2.419.7000108.7
355F42Very low44.6Very low192 Ų192159.2 Ų159.284%0.84279%0.794SS**  trans-59.1143.5174.8-76-95.5000112.8
356S42.7Very low44.5Very low101 Ų101162.2 Ų162.271%0.70680%0.796SS**  trans15.6113.9148.857.70000118.7
357K42.9Very low45.2Very low195 Ų195164.6 Ų164.685%0.84880%0.801SS**  trans-84.7115.9150.4-81.9-177.3176.9176.50109.3
358T42.4Very low45.5Very low127 Ų127167.5 Ų167.578%0.77980%0.801SS**  trans-63.7121.4160.543.20000110
359Y37.4Very low45.9Very low223 Ų223169 Ų16988%0.87580%0.803SS**  trans-112.8111.2155.7-101.1-84.5000108.3
360S42.8Very low45.8Very low109 Ų109167.9 Ų167.976%0.76280%0.799SS**  trans-83.3125.5174.433.30000111.1
361K42.4Very low45.6Very low165 Ų165168.2 Ų168.272%0.71780%0.8SS**  trans60.8111141.9-157.1169.6-171.9171.70119E363K361-E363 VanDerWaalsContact CE-OE2 3.27Å; K361-E363 WeakPolarHBondContact CE-OE2 3.46Å; K361-E363 IonicContact NZ-OE2 3.51Å
362T44.3Very low45.2Very low136 Ų136164.9 Ų164.983%0.83480%0.8SS**  -137.7119.7117.247.30000110.2
363E43.3Very low45.2Very low137 Ų137157.2 Ų157.264%0.6480%0.795SS**  trans-82.3112175.8-178.7178.9174.800107K361 V365K361-E363 VanDerWaalsContact CE-OE2 3.27Å; K361-E363 WeakPolarHBondContact CE-OE2 3.46Å; K361-E363 IonicContact NZ-OE2 3.51Å; E363-V365 HydrophobicContact CG-CG2 4.31Å
364K46.8Very low44.9Very low194 Ų194155.5 Ų155.584%0.84380%0.797SS**  trans-100.497.5164.8-72-161.6-179.3-178.80108.1Y366K364-Y366 PolarHBondContact O-N 3.05Å
365V43.3Very low44.3Very low115 Ų115163.3 Ų163.370%0.69782%0.819SS**  trans-55.7114.3163.91770000107.9E363E363-V365 HydrophobicContact CG-CG2 4.31Å
366Y41.1Very low44.4Very low217 Ų217161.9 Ų161.985%0.85182%0.818SS**PPolyproline II helixtrans-93.1124161.7-129.8-89.3000107K364 E368K364-Y366 PolarHBondContact O-N 3.05Å; Y366-E368 PolarHBondContact O-N 3.25Å
367P52.3Low44.5Very low102 Ų102165.1 Ų165.166%0.66282%0.824SS**PPolyproline II helixtrans-71122.1175.626.9-29.7000109.5P369P367-P369 WeakPolarHBondContact O-CD 3.19Å
368E50.6Low44.6Very low182 Ų182163.4 Ų163.485%0.8582%0.823SS**PPolyproline II helixtrans-59.9120.9169.1-165.5176.3-146.300110.1Y366 R370Y366-E368 PolarHBondContact O-N 3.25Å; E368-R370 PolarHBondContact O-N 3.37Å
369P56.4Low44.7Very low124 Ų124165.5 Ų165.581%0.80583%0.825SS**PPolyproline II helixtrans-81.1118.2166.9-11.729.7000109.1P367P367-P369 WeakPolarHBondContact O-CD 3.19Å
370R45.3Very low45.2Very low236 Ų236161.9 Ų161.989%0.89182%0.822SS**PPolyproline II helixtrans-46.4144.2176.4-74-176.9155.9160.2-4.1114E368E368-R370 PolarHBondContact O-N 3.37Å
371R48.7Very low45.3Very low237 Ų237165.5 Ų165.589%0.89483%0.826SS**  trans-24130.4155.9-68-179.7174176.4-2.3114.2
372N42Very low45.5Very low167 Ų167165.5 Ų165.589%0.89383%0.834SS**  trans-149.3116138.3-71.9-39000103.3
373G40Very low45.6Very low77 Ų77167.8 Ų167.879%0.79483%0.834SS**  117.9122.266.400000106.7
374S42.7Very low45.8Very low117 Ų117170.3 Ų170.382%0.81885%0.85SS**  trans-48.2135.9177.3167.80000114.1
375K40.9Very low45.7Very low276 Ų276168.2 Ų168.2100%1.285%0.851SS**  -172.60117.6-103.9175180178.30111.4

Retrieved 375 of 375 residues in 60.3 ms (Link to these results)