A0A096MYW5_PAPAN Loading...

Chromosome 12 open reading frame 50

AlphaFold DB , UniProt , Accession A0A096MYW5, Species PAPAN (Papio anubis, Olive baboon), Gene C12orf50, Length 414 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
1M37.2Very low63.7Low239 Ų239120 Ų120100%1.17763%0.633SS**  0104.30-87.8174.516500107.4
2E44Very low65.7Low187 Ų187120.9 Ų120.987%0.87463%0.628SS**  trans-70.4128.2172.7-70.9174.511600109.1Q4E2-Q4 PolarHBondContact O-N 3.5Å
3M45.4Very low67.5Low171 Ų171123.2 Ų123.284%0.84262%0.624SS**  trans-82.270.5173.2-68.8-163.3178.700109.6Q5M3-Q5 PolarHBondContact O-N 3.07Å
4Q53.7Low69Low121 Ų121116.6 Ų116.657%0.56559%0.59SS**  trans-7373.1167.6-142.3-177.7-8.400108.4E2 N6E2-Q4 PolarHBondContact O-N 3.5Å; Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.45Å; Q4-N6 PolarHBondContact O-N 3.16Å; Q4-N6 PolarHBondContact O-OD1 3.43Å
5Q55.5Low69.8Low130 Ų130116.9 Ų116.961%0.60760%0.6SS**  trans-72.291.9169.9-74.1-164.7-1.400108M3 C7M3-Q5 PolarHBondContact O-N 3.07Å; Q5-C7 PolarHBondContact O-N 3Å
6N60.5Low70.9Confident115 Ų115114 Ų11462%0.61558%0.583SS**  trans-71.672.8176.2-61.6-12000109.7Q4 S8Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.45Å; Q4-N6 PolarHBondContact O-N 3.16Å; Q4-N6 PolarHBondContact O-OD1 3.43Å; N6-S8 PolarHBondContact O-N 3.12Å
7C65.9Low71.3Confident43 Ų43115 Ų11529%0.29160%0.599SS.*  trans-61.8132167.1-71.30000108.8Q5 I9 I26 Y28Q5-C7 PolarHBondContact O-N 3Å; C7-I9 PolarHBondContact O-N 3.39Å; C7-I26 WeakPolarHBondContact CB-O 3.43Å; C7-I26 PolarHBondContact SG-O 3.44Å; C7-Y28 WeakPolarHBondContact O-CB 3.21Å
8S75.5Confident71.9Confident119 Ų119117.3 Ų117.383%0.83261%0.611SS**SBendtrans-75.6-4.1176.151.90000113.8N6N6-S8 PolarHBondContact O-N 3.12Å
9I85.4Confident72.7Confident108 Ų108112.6 Ų112.655%0.55459%0.593SS**SBendtrans-94.4121-174.7-56.5173.2000108.9C7 F27 Y28C7-I9 PolarHBondContact O-N 3.39Å; I9-F27 HydrophobicContact CB-CD1 4.26Å; I9-F27 HydrophobicContact CG2-CD1 4.14Å; I9-F27 HydrophobicContact CG2-CE1 4.39Å; I9-Y28 WeakPolarHBondContact O-CB 3.39Å; I9-Y28 PolarHBondContact O-N 3.38Å
10S87.1Confident73.6Confident83 Ų83107.5 Ų107.558%0.5857%0.568SS**BIsolated β-bridgetrans-61.4145.4176.652.60000112.4F12S10-F12 PolarHBondContact O-N 3.16Å
11C90.9Very high74.3Confident4 Ų4107.5 Ų107.53%0.02757%0.572CS.*PPolyproline II helixtrans-74.5116.1177.2-169.60000110.7W13 E14 C20 C25 F27 Y28 H29C11-W13 PolarHBondContact O-N 3.19Å; C11-W13 VanDerWaalsContact O-N 3.08Å; C11-E14 HydrophobicContact CB-CB 4.38Å; C11-E14 VanDerWaalsContact O-CB 3.3Å; C11-E14 WeakPolarHBondContact O-CB 3.32Å; C11-E14 PolarHBondContact O-N 3.37Å; C11-C20 VanDerWaalsContact SG-SG 3.65Å; C11-C25 VanDerWaalsContact SG-SG 3.63Å; C11-F27 HydrophobicContact CB-CB 3.67Å; C11-Y28 WeakPolarHBondContact CB-O 3.25Å; C11-Y28 PolarHBondContact N-O 3.02Å; C11-H29 WeakPolarHBondContact CB-CE1 3.35Å; C11-H29 PolarHBondContact SG-CE1 3.38Å
12F87.9Confident76.8Confident131 Ų131102.1 Ų102.158%0.57554%0.542SS*.G310 helixtrans-50.9-32.8173.3177-97.6000113.8S10 E14 T15 Q16S10-F12 PolarHBondContact O-N 3.16Å; F12-E14 VanDerWaalsContact C-N 3.28Å; F12-E14 PolarHBondContact O-N 3.47Å; F12-T15 PolarHBondContact O-OG1 3.43Å; F12-T15 VanDerWaalsContact O-OG1 3.09Å; F12-Q16 HydrophobicContact CE1-CG 4.47Å
13W89.1Confident78.7Confident151 Ų15197.1 Ų97.157%0.57252%0.52SS*.G310 helixtrans-77.6-8.3-179.7-61.999.2000114.1C11 Q16 G19 C20C11-W13 PolarHBondContact O-N 3.19Å; C11-W13 VanDerWaalsContact O-N 3.08Å; W13-Q16 HydrophobicContact CE3-CB 4.28Å; W13-Q16 HydrophobicContact CE3-CG 3.79Å; W13-Q16 HydrophobicContact CZ3-CG 4.25Å; W13-Q16 PolarHBondContact O-N 3.35Å; W13-G19 CarbonylContact O-C 3.02Å; W13-G19 WeakPolarHBondContact O-CA 3.35Å; W13-C20 HydrophobicContact CB-CB 3.86Å; W13-C20 PolarHBondContact O-N 3.16Å
14E87.4Confident80.6Confident31 Ų3193.5 Ų93.515%0.14551%0.512CS..G310 helixtrans-74-25.6176.4-171.4176.8171.600113.2C11 F12 Q16 H29 S30 K31C11-E14 HydrophobicContact CB-CB 4.38Å; C11-E14 VanDerWaalsContact O-CB 3.3Å; C11-E14 WeakPolarHBondContact O-CB 3.32Å; C11-E14 PolarHBondContact O-N 3.37Å; F12-E14 VanDerWaalsContact C-N 3.28Å; F12-E14 PolarHBondContact O-N 3.47Å; E14-Q16 VanDerWaalsContact C-N 3.33Å; E14-H29 VanDerWaalsContact OE2-CA 3.23Å; E14-H29 WeakPolarHBondContact OE2-CA 3.45Å; E14-H29 IonicContact OE2-ND1 3.28Å; E14-H29 PolarHBondContact OE2-ND1 3.25Å; E14-S30 WeakPolarHBondContact OE1-CA 3.33Å; E14-S30 WeakPolarHBondContact OE1-CB 3.35Å; E14-S30 PolarHBondContact OE1-N 2.83Å; E14-S30 PolarHBondContact OE1-OG 3.09Å; E14-S30 PolarHBondContact OE2-N 3.27Å; E14-S30 VanDerWaalsContact OE2-N 3.11Å; E14-K31 WeakPolarHBondContact OE1-CB 3.3Å; E14-K31 PolarHBondContact OE1-N 2.84Å
15T82Confident82.2Confident120 Ų12089 Ų8974%0.73649%0.493SS*.G310 helixtrans-86.6-5.1175.457.20000113.1F12F12-T15 PolarHBondContact O-OG1 3.43Å; F12-T15 VanDerWaalsContact O-OG1 3.09Å
16Q86.6Confident83.7Confident71 Ų7186.8 Ų86.833%0.33249%0.485SS..SBendtrans-84.5149.3179.5-62.3-62.5-24.400111F12 W13 E14 L18 G19F12-Q16 HydrophobicContact CE1-CG 4.47Å; W13-Q16 HydrophobicContact CE3-CB 4.28Å; W13-Q16 HydrophobicContact CE3-CG 3.79Å; W13-Q16 HydrophobicContact CZ3-CG 4.25Å; W13-Q16 PolarHBondContact O-N 3.35Å; E14-Q16 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3.38Å; Q16-L18 VanDerWaalsContact O-N 3.14Å; Q16-G19 PolarHBondContact O-N 3.48Å
17P78.9Confident85Confident131 Ų13185.6 Ų85.685%0.85147%0.474SS*.THydrogen-bonded Turntrans-63.4-23.1-175.324.8-35000114.1
18L81.4Confident86Confident157 Ų15787 Ų8782%0.82247%0.474SS*.THydrogen-bonded Turntrans-87.5-8.7174.7-64.2175.9000113.6Q16Q16-L18 PolarHBondContact O-N 3.38Å; Q16-L18 VanDerWaalsContact O-N 3.14Å
19G86.8Confident86.6Confident27 Ų2781.6 Ų81.628%0.27844%0.435SS..  trans62.5-173.2-173.100000114.1W13 Q16 V21W13-G19 CarbonylContact O-C 3.02Å; W13-G19 WeakPolarHBondContact O-CA 3.35Å; Q16-G19 PolarHBondContact O-N 3.48Å; G19-V21 PolarHBondContact O-N 2.95Å
20C90.4Very high86.6Confident11 Ų1179.4 Ų79.47%0.07443%0.43CS..  trans-91.9101.3175.8-172.80000111.8C11 W13 K22 C25 H29 R33 I35C11-C20 VanDerWaalsContact SG-SG 3.65Å; W13-C20 HydrophobicContact CB-CB 3.86Å; W13-C20 PolarHBondContact O-N 3.16Å; C20-K22 VanDerWaalsContact C-N 3.27Å; C20-K22 PolarHBondContact O-N 3.1Å; C20-C25 VanDerWaalsContact SG-SG 3.69Å; C20-H29 WeakPolarHBondContact CB-CE1 3.39Å; C20-R33 PolarHBondContact O-NH1 2.6Å; C20-I35 WeakPolarHBondContact O-CD1 3.39Å
21V89.6Confident86.5Confident108 Ų10881.7 Ų81.766%0.65543%0.429SS*.  trans-76.8-2178.6-59.40000115G19 I23 I35G19-V21 PolarHBondContact O-N 2.95Å; V21-I23 PolarHBondContact O-N 2.75Å; V21-I35 WeakPolarHBondContact O-CG2 3.21Å
22K87.9Confident86.3Confident126 Ų12684.7 Ų84.755%0.54845%0.449SS..  trans-82.3107179.1-172.2178.4-178.1-177.70109.9C20 S24 C25 R33C20-K22 VanDerWaalsContact C-N 3.27Å; C20-K22 PolarHBondContact O-N 3.1Å; K22-S24 VanDerWaalsContact CE-O 3.26Å; K22-S24 WeakPolarHBondContact CE-O 3.33Å; K22-S24 PolarHBondContact O-N 3.3Å; K22-C25 HydrophobicContact CB-CB 4.39Å; K22-C25 WeakPolarHBondContact O-CB 3.41Å; K22-C25 PolarHBondContact O-N 2.98Å; K22-C25 VanDerWaalsContact O-N 3.12Å; K22-R33 PolarHBondContact O-NH1 3.31Å
23I85.1Confident86.4Confident81 Ų8180 Ų8042%0.41543%0.427SS..THydrogen-bonded Turntrans-48.8-64.4-179.8-61.4173.5000110.4V21 C25 R33 I35 L38 L40V21-I23 PolarHBondContact O-N 2.75Å; I23-C25 PolarHBondContact O-N 3Å; I23-R33 PolarHBondContact O-NH2 3.02Å; I23-R33 VanDerWaalsContact O-NH2 3.07Å; I23-I35 HydrophobicContact CD1-CG2 4.4Å; I23-I35 HydrophobicContact CG1-CB 4.27Å; I23-I35 HydrophobicContact CG1-CD1 4.21Å; I23-I35 HydrophobicContact CG1-CG2 3.81Å; I23-L38 HydrophobicContact CG2-CD2 4.14Å; I23-L40 HydrophobicContact CB-CD1 4.41Å; I23-L40 HydrophobicContact CG2-CD1 4.07Å; I23-L40 HydrophobicContact CG2-CD2 4.49Å
24S84.3Confident86.2Confident96 Ų9678.1 Ų78.167%0.67143%0.428SS*.THydrogen-bonded Turntrans-81.160.5172.3-42.80000111.9K22K22-S24 VanDerWaalsContact CE-O 3.26Å; K22-S24 WeakPolarHBondContact CE-O 3.33Å; K22-S24 PolarHBondContact O-N 3.3Å
25C88.1Confident86.3Confident25 Ų2577.2 Ų77.217%0.16942%0.424CS..  trans-71.6129.7167.1-167.20000109.1C11 C20 K22 I23 F27 H29C11-C25 VanDerWaalsContact SG-SG 3.63Å; C20-C25 VanDerWaalsContact SG-SG 3.69Å; K22-C25 HydrophobicContact CB-CB 4.39Å; K22-C25 WeakPolarHBondContact O-CB 3.41Å; K22-C25 PolarHBondContact O-N 2.98Å; K22-C25 VanDerWaalsContact O-N 3.12Å; I23-C25 PolarHBondContact O-N 3Å; C25-F27 VanDerWaalsContact C-N 3.34Å; C25-H29 VanDerWaalsContact CB-NE2 3.33Å; C25-H29 WeakPolarHBondContact CB-NE2 3.35Å; C25-H29 PolarHBondContact SG-NE2 3.38Å
26I87.4Confident86.4Confident85 Ų8579.2 Ų79.244%0.43643%0.43SS..  trans-82.7-14.7175.861.5172.9000112.4C7C7-I26 WeakPolarHBondContact CB-O 3.43Å; C7-I26 PolarHBondContact SG-O 3.44Å
27F86.7Confident86.4Confident89 Ų8978.6 Ų78.639%0.3944%0.444SS..SBendtrans-86.4153.7-178.9-62.2-77.1000111.1I9 C11 C25 H29I9-F27 HydrophobicContact CB-CD1 4.26Å; I9-F27 HydrophobicContact CG2-CD1 4.14Å; I9-F27 HydrophobicContact CG2-CE1 4.39Å; C11-F27 HydrophobicContact CB-CB 3.67Å; C25-F27 VanDerWaalsContact C-N 3.34Å; F27-H29 PolarHBondContact O-CD2 3.41Å
28Y87.3Confident86.7Confident74 Ų7476.6 Ų76.629%0.2943%0.425SS..BIsolated β-bridgetrans-63.7140.1-179.4172.2-82.8000112C7 I9 C11 S43 S44C7-Y28 WeakPolarHBondContact O-CB 3.21Å; I9-Y28 WeakPolarHBondContact O-CB 3.39Å; I9-Y28 PolarHBondContact O-N 3.38Å; C11-Y28 WeakPolarHBondContact CB-O 3.25Å; C11-Y28 PolarHBondContact N-O 3.02Å; Y28-S43 WeakPolarHBondContact CA-OG 3.11Å; Y28-S43 WeakPolarHBondContact CD2-OG 3.42Å; Y28-S44 VanDerWaalsContact CE2-OG 3.3Å; Y28-S44 WeakPolarHBondContact CE2-OG 3.26Å; Y28-S44 PolarHBondContact OH-OG 3.13Å
29H88.7Confident87Confident4 Ų475.5 Ų75.52%0.01941%0.414CS..  trans-123.9119175.7-75.5-59000111.8C11 E14 C20 C25 F27 R33 P42 S43C11-H29 WeakPolarHBondContact CB-CE1 3.35Å; C11-H29 PolarHBondContact SG-CE1 3.38Å; E14-H29 VanDerWaalsContact OE2-CA 3.23Å; E14-H29 WeakPolarHBondContact OE2-CA 3.45Å; E14-H29 IonicContact OE2-ND1 3.28Å; E14-H29 PolarHBondContact OE2-ND1 3.25Å; C20-H29 WeakPolarHBondContact CB-CE1 3.39Å; C25-H29 VanDerWaalsContact CB-NE2 3.33Å; C25-H29 WeakPolarHBondContact CB-NE2 3.35Å; C25-H29 PolarHBondContact SG-NE2 3.38Å; F27-H29 PolarHBondContact O-CD2 3.41Å; H29-R33 VanDerWaalsContact CD2-CZ 3.43Å; H29-R33 PolarHBondContact CD2-NE 3.01Å; H29-R33 VanDerWaalsContact CD2-NE 3.3Å; H29-P42 CarbonylContact O-C 3.54Å; H29-P42 WeakPolarHBondContact O-CA 3.45Å; H29-P42 WeakPolarHBondContact O-CB 3.24Å; H29-S43 PolarHBondContact N-OG 3.41Å; H29-S43 PolarHBondContact O-N 3.24Å; H29-S43 PolarHBondContact O-OG 3.46Å
30S84.9Confident87.1Confident63 Ų6375.6 Ų75.644%0.44141%0.408SS..SBendtrans-80.4-30177.673.90000113E14E14-S30 WeakPolarHBondContact OE1-CA 3.33Å; E14-S30 WeakPolarHBondContact OE1-CB 3.35Å; E14-S30 PolarHBondContact OE1-N 2.83Å; E14-S30 PolarHBondContact OE1-OG 3.09Å; E14-S30 PolarHBondContact OE2-N 3.27Å; E14-S30 VanDerWaalsContact OE2-N 3.11Å
31K85.4Confident86.8Confident131 Ų13179.2 Ų79.257%0.5743%0.431SS*.SBendtrans-107148.6-178.4-65.8169.1-173.5174.90111E14E14-K31 WeakPolarHBondContact OE1-CB 3.3Å; E14-K31 PolarHBondContact OE1-N 2.84Å
32P87Confident86.7Confident67 Ų6776 Ų7644%0.43541%0.413SS..  trans-63153.8168.128.4-33.9000110.4F39 L40P32-F39 HydrophobicContact CB-CD2 4.5Å; P32-F39 HydrophobicContact CB-CE1 4.22Å; P32-F39 HydrophobicContact CB-CE2 3.55Å; P32-F39 HydrophobicContact CB-CZ 3.38Å; P32-F39 HydrophobicContact CG-CE2 4.17Å; P32-F39 HydrophobicContact CG-CZ 4.11Å; P32-L40 CarbonylContact C-O 3.55Å; P32-L40 VanDerWaalsContact CA-O 3.28Å; P32-L40 WeakPolarHBondContact CA-O 3.48Å
33R89.4Confident86.2Confident31 Ų3171.8 Ų71.812%0.11740%0.399CS..EExtended strand (participates in β ladder)trans-126.2134.1-178.5-57.7-179.3-67140.6-1.8109.4C20 K22 I23 H29 I35 L40C20-R33 PolarHBondContact O-NH1 2.6Å; K22-R33 PolarHBondContact O-NH1 3.31Å; I23-R33 PolarHBondContact O-NH2 3.02Å; I23-R33 VanDerWaalsContact O-NH2 3.07Å; H29-R33 VanDerWaalsContact CD2-CZ 3.43Å; H29-R33 PolarHBondContact CD2-NE 3.01Å; H29-R33 VanDerWaalsContact CD2-NE 3.3Å; R33-I35 HydrophobicContact CB-CD1 4.38Å; R33-I35 HydrophobicContact CB-CG1 4.32Å; R33-L40 HydrophobicContact CB-CB 4.45Å; R33-L40 PolarHBondContact N-O 2.91Å; R33-L40 PolarHBondContact O-N 2.89Å
34N85.8Confident85.2Confident113 Ų11369.3 Ų69.360%0.60439%0.389SS*.EExtended strand (participates in β ladder)trans-103121.4166.8-169.4-50.7000108.1G37 L38N34-G37 VanDerWaalsContact OD1-CA 3.28Å; N34-G37 WeakPolarHBondContact OD1-CA 3.39Å; N34-G37 PolarHBondContact OD1-N 2.86Å; N34-G37 VanDerWaalsContact OD1-N 3.09Å; N34-L38 WeakPolarHBondContact CA-O 3.39Å
35I88Confident83.7Confident12 Ų1271 Ų716%0.06239%0.391CS..EExtended strand (participates in β ladder)trans-131.3111.8-178.6-53.2174000107.4C20 V21 I23 R33 G37 L38 L40C20-I35 WeakPolarHBondContact O-CD1 3.39Å; V21-I35 WeakPolarHBondContact O-CG2 3.21Å; I23-I35 HydrophobicContact CD1-CG2 4.4Å; I23-I35 HydrophobicContact CG1-CB 4.27Å; I23-I35 HydrophobicContact CG1-CD1 4.21Å; I23-I35 HydrophobicContact CG1-CG2 3.81Å; R33-I35 HydrophobicContact CB-CD1 4.38Å; R33-I35 HydrophobicContact CB-CG1 4.32Å; I35-G37 PolarHBondContact O-N 2.89Å; I35-L38 PolarHBondContact N-O 3.33Å; I35-L38 VanDerWaalsContact O-CB 3.29Å; I35-L38 WeakPolarHBondContact O-CB 3.38Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-L40 HydrophobicContact CD1-CD1 3.7Å; I35-L40 HydrophobicContact CG1-CD1 4.49Å
36N85.2Confident81.6Confident161 Ų16175.9 Ų75.986%0.86141%0.414SS*.THydrogen-bonded Turntrans53.137.4-177.3-54.9-15.4000113.3L38N36-L38 VanDerWaalsContact C-N 3.26Å; N36-L38 PolarHBondContact O-N 2.82Å
37G85.6Confident79.1Confident59 Ų5977.3 Ų77.361%0.60843%0.427SS*.THydrogen-bonded Turntrans84.5-14.3-176.400000114.7N34 I35 F39N34-G37 VanDerWaalsContact OD1-CA 3.28Å; N34-G37 WeakPolarHBondContact OD1-CA 3.39Å; N34-G37 PolarHBondContact OD1-N 2.86Å; N34-G37 VanDerWaalsContact OD1-N 3.09Å; I35-G37 PolarHBondContact O-N 2.89Å; G37-F39 PolarHBondContact O-N 3.21Å
38L86.4Confident76.7Confident89 Ų8980.4 Ų80.447%0.46645%0.446SS..EExtended strand (participates in β ladder)trans-77.7116.5175-174.765000110.2I23 N34 I35 N36 L40I23-L38 HydrophobicContact CG2-CD2 4.14Å; N34-L38 WeakPolarHBondContact CA-O 3.39Å; I35-L38 PolarHBondContact N-O 3.33Å; I35-L38 VanDerWaalsContact O-CB 3.29Å; I35-L38 WeakPolarHBondContact O-CB 3.38Å; I35-L38 PolarHBondContact O-N 3.37Å; N36-L38 VanDerWaalsContact C-N 3.26Å; N36-L38 PolarHBondContact O-N 2.82Å; L38-L40 HydrophobicContact CD2-CD2 3.79Å; L38-L40 HydrophobicContact CD2-CG 4.46Å; L38-L40 HydrophobicContact CG-CD2 3.96Å; L38-L40 HydrophobicContact CG-CG 4.41Å
39F88.2Confident74Confident133 Ų13384 Ų8458%0.58347%0.466SS*.EExtended strand (participates in β ladder)trans-81.1117.8171.3-175.8-92.9000110.2P32 G37P32-F39 HydrophobicContact CB-CD2 4.5Å; P32-F39 HydrophobicContact CB-CE1 4.22Å; P32-F39 HydrophobicContact CB-CE2 3.55Å; P32-F39 HydrophobicContact CB-CZ 3.38Å; P32-F39 HydrophobicContact CG-CE2 4.17Å; P32-F39 HydrophobicContact CG-CZ 4.11Å; G37-F39 PolarHBondContact O-N 3.21Å
40L87.1Confident71.8Confident29 Ų2993 Ų9315%0.15251%0.505CS..EExtended strand (participates in β ladder)trans-106.2124.6173.4-59.5176.8000108.8I23 P32 R33 I35 L38I23-L40 HydrophobicContact CB-CD1 4.41Å; I23-L40 HydrophobicContact CG2-CD1 4.07Å; I23-L40 HydrophobicContact CG2-CD2 4.49Å; P32-L40 CarbonylContact C-O 3.55Å; P32-L40 VanDerWaalsContact CA-O 3.28Å; P32-L40 WeakPolarHBondContact CA-O 3.48Å; R33-L40 HydrophobicContact CB-CB 4.45Å; R33-L40 PolarHBondContact N-O 2.91Å; R33-L40 PolarHBondContact O-N 2.89Å; I35-L40 HydrophobicContact CD1-CD1 3.7Å; I35-L40 HydrophobicContact CG1-CD1 4.49Å; L38-L40 HydrophobicContact CD2-CD2 3.79Å; L38-L40 HydrophobicContact CD2-CG 4.46Å; L38-L40 HydrophobicContact CG-CD2 3.96Å; L38-L40 HydrophobicContact CG-CG 4.41Å
41P84.7Confident69.2Low87 Ų8797.6 Ų97.657%0.56552%0.519SS*.  trans-66.316517629-34.9000111.6
42P86.9Confident66.7Low42 Ų4296 Ų9627%0.27352%0.524SS..  trans-51.5148.6165.1-23.534000111.2H29 S44H29-P42 CarbonylContact O-C 3.54Å; H29-P42 WeakPolarHBondContact O-CA 3.45Å; H29-P42 WeakPolarHBondContact O-CB 3.24Å; P42-S44 PolarHBondContact O-N 3.23Å
43S78.3Confident64.1Low37 Ų37101 Ų10126%0.25954%0.542SS..SBendtrans-71-11.5177.963.20000113.3Y28 H29Y28-S43 WeakPolarHBondContact CA-OG 3.11Å; Y28-S43 WeakPolarHBondContact CD2-OG 3.42Å; H29-S43 PolarHBondContact N-OG 3.41Å; H29-S43 PolarHBondContact O-N 3.24Å; H29-S43 PolarHBondContact O-OG 3.46Å
44S64.9Low61.4Low29 Ų29108 Ų10820%0.20358%0.576CS.*  trans-119.7108.9173.856.20000112.4Y28 P42 I46Y28-S44 VanDerWaalsContact CE2-OG 3.3Å; Y28-S44 WeakPolarHBondContact CE2-OG 3.26Å; Y28-S44 PolarHBondContact OH-OG 3.13Å; P42-S44 PolarHBondContact O-N 3.23Å; S44-I46 PolarHBondContact O-N 2.8Å; S44-I46 VanDerWaalsContact O-N 3.09Å
45N52.1Low58.6Low131 Ų131106 Ų10670%0.70158%0.582SS**  trans-75.454.7148.847.5-76.5000110.8T47N45-T47 VanDerWaalsContact C-N 3.26Å; N45-T47 PolarHBondContact O-N 3.28Å; N45-T47 VanDerWaalsContact O-N 3.13Å
46I43.3Very low55.9Low128 Ų128113.5 Ų113.566%0.65662%0.62SS**  trans-80.385.2161.7-65165.9000106.5S44 L48S44-I46 PolarHBondContact O-N 2.8Å; S44-I46 VanDerWaalsContact O-N 3.09Å; I46-L48 PolarHBondContact O-N 2.89Å
47T35.7Very low53.7Low115 Ų115111.1 Ų111.171%0.70661%0.614SS**  trans-54.2125.4142.95.20000106.6N45 Q49N45-T47 VanDerWaalsContact C-N 3.26Å; N45-T47 PolarHBondContact O-N 3.28Å; N45-T47 VanDerWaalsContact O-N 3.13Å; T47-Q49 PolarHBondContact O-N 3.37Å
48L36.6Very low51Low154 Ų154116.4 Ų116.481%0.80663%0.627SS**  trans-7073.2173.5-172.478.1000109.4I46 K50I46-L48 PolarHBondContact O-N 2.89Å; L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 3.36Å
49Q31Very low48.5Very low150 Ų150120.6 Ų120.670%0.70165%0.645SS**  trans-65.290.5164.8-87.3-77.88.800107.6T47 E51T47-Q49 PolarHBondContact O-N 3.37Å; Q49-E51 PolarHBondContact O-N 2.97Å; Q49-E51 VanDerWaalsContact O-N 3.1Å
50K41Very low45.6Very low193 Ų193120.5 Ų120.584%0.83966%0.655SS**  trans-83.967.4176.5-171-169.8172.2-175.80109.8L48L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 3.36Å
51E30.6Very low43.2Very low159 Ų159127 Ų12774%0.74369%0.685SS**  trans-154.1139.9171.3-102.9-166.6116.500107.9Q49Q49-E51 PolarHBondContact O-N 2.97Å; Q49-E51 VanDerWaalsContact O-N 3.1Å
52S33.2Very low40.7Very low96 Ų96128.5 Ų128.567%0.67170%0.697SS**  cis-162.1179.6-2.8-157.70000110.4
53Q33Very low38.1Very low173 Ų173133.8 Ų133.881%0.80872%0.718SS**  trans79.7136.6173.3-45.9-165.2-4.200116.3
54E32.3Very low35.8Very low179 Ų179138.9 Ų138.984%0.83674%0.738SS**  cis-152154.610.4-150.1173.5164.400112.1
55G25.8Very low34.6Very low70 Ų70143 Ų14372%0.72276%0.764SS**  trans7.7145.2173.500000123
56I31.9Very low34.2Very low169 Ų169144.2 Ų144.287%0.86777%0.769SS**  cis-158.9158.534.6-87.5174.2000107.8
57P38.7Very low33.9Very low112 Ų112147.9 Ų147.973%0.72778%0.781SS**  trans-89.8153.9-155.335.1-35.6000115.6
58L29Very low34Very low170 Ų170147.7 Ų147.789%0.8978%0.781SS**  trans-112.8117.3148.4-120.786.1000110.4
59Q33.7Very low34.3Very low177 Ų177147.7 Ų147.783%0.82778%0.777SS**  trans-77.4114.2169.7173.6-174.80.900109
60T27.5Very low34.6Very low131 Ų131149.5 Ų149.580%0.80479%0.786SS**  trans-132.2122.6155.6-51.30000109.2
61Q36.3Very low34.5Very low166 Ų166146 Ų14678%0.77678%0.776SS**  trans-84.5128.2-168.2178.8-177.118.200111.3
62S32.6Very low34.8Very low118 Ų118146.6 Ų146.683%0.82578%0.783SS**  trans-158.7123.8157.3-169.40000112.3
63Q33.3Very low35.2Very low153 Ų153147.3 Ų147.372%0.71579%0.788SS**  trans-127.5145.7172.3-74.8172.6-102.600106.1
64E29.7Very low35.8Very low143 Ų143149.8 Ų149.867%0.66879%0.79SS**  cis-159.7-157.81-120.6178.684.400106.1
65P40.5Very low36.2Very low115 Ų115146.6 Ų146.675%0.74778%0.784SS**  cis-129.4179.4-7.820.65.3000115
66L43.8Very low36.9Very low157 Ų157150 Ų15082%0.82278%0.784SS**  trans-63.2141179.4-60.6150000115.6
67K36.6Very low37.7Very low205 Ų205150.2 Ų150.289%0.89178%0.781SS**  trans-177.6167.2137.7-105.3168.5-171.3-178.50112.8
68P36.6Very low38Very low111 Ų111152.4 Ų152.472%0.72178%0.782SS**  -121.6158.2-110.939.2-25.8000117.3E70P68-E70 PolarHBondContact O-N 2.89Å
69Q43.2Very low38.8Very low154 Ų154149.8 Ų149.872%0.7278%0.775SS**  trans24.590.7152.2-170.2-175.6-2700117.4N71Q69-N71 PolarHBondContact NE2-OD1 3.16Å; Q69-N71 PolarHBondContact O-N 2.84Å
70E37.6Very low39.3Very low189 Ų189149.3 Ų149.388%0.88378%0.777SS**  trans-73.2112.8160.6-68.6-171.3157.100109.9P68 I72P68-E70 PolarHBondContact O-N 2.89Å; E70-I72 PolarHBondContact O-N 3.23Å
71N38.3Very low40Very low118 Ų118148.9 Ų148.963%0.63177%0.774SS**  trans-72.5117.6174.9-66.6-72.4000109.3Q69 S73Q69-N71 PolarHBondContact NE2-OD1 3.16Å; Q69-N71 PolarHBondContact O-N 2.84Å; N71-S73 PolarHBondContact O-N 3.25Å
72I37.5Very low40.1Very low172 Ų172148.3 Ų148.388%0.88278%0.776SS**  trans-65.2106.9171.7-59.6172.2000108E70 R74E70-I72 PolarHBondContact O-N 3.23Å; I72-R74 PolarHBondContact O-N 2.86Å
73S41.4Very low40.5Very low111 Ų111151.6 Ų151.678%0.77678%0.775SS**PPolyproline II helixtrans-55.9127-178-58.10000111.9N71N71-S73 PolarHBondContact O-N 3.25Å
74R45.3Very low40.9Very low226 Ų226150.1 Ų150.185%0.85378%0.776SS**PPolyproline II helixtrans-71.4140.3167.6-65.7-177.4178.2-136.7-0.4109.2I72 I76I72-R74 PolarHBondContact O-N 2.86Å; R74-I76 PolarHBondContact O-N 3.31Å
75P40.8Very low41.4Very low112 Ų112150.6 Ų150.673%0.72778%0.784SS**PPolyproline II helixtrans-62119.1173.3-21.533000110.9H77P75-H77 PolarHBondContact O-N 3.39Å
76I41.6Very low41.4Very low140 Ų140154.5 Ų154.572%0.71879%0.789SS**  trans-82.798.2171.7-58.5174.4000107.4R74R74-I76 PolarHBondContact O-N 3.31Å
77H47.4Very low41.5Very low174 Ų174155.6 Ų155.681%0.80679%0.79SS**PPolyproline II helixtrans-79.2117.6164.7-82.1-84.2000109.1P75P75-H77 PolarHBondContact O-N 3.39Å
78H45.8Very low41.9Very low158 Ų158153.9 Ų153.973%0.73179%0.786SS**PPolyproline II helixtrans-74.5131.1171.2-65.5-104.5000109.4L80H78-L80 PolarHBondContact O-N 2.84Å
79P45.8Very low42.3Very low116 Ų116157.6 Ų157.675%0.75379%0.793SS**PPolyproline II helixtrans-72.5123.417528.7-32.5000110.3V81P79-V81 PolarHBondContact O-N 3.13Å
80L43Very low42.6Very low166 Ų166158.5 Ų158.587%0.86980%0.797SS**  trans-75.9111.5170.3-67.6172.6000109H78 L82H78-L80 PolarHBondContact O-N 2.84Å; L80-L82 PolarHBondContact O-N 3.5Å
81V42.3Very low43Very low123 Ų123157.8 Ų157.875%0.74579%0.794SS**  trans-81.3101.4175.8-179.30000109.1P79 K83P79-V81 PolarHBondContact O-N 3.13Å; V81-K83 PolarHBondContact O-N 3.27Å
82L40.3Very low43.1Very low154 Ų154158.5 Ų158.581%0.80680%0.802SS**  trans-76.9112.2165.7-66175.5000108.6L80 T84L80-L82 PolarHBondContact O-N 3.5Å; L82-T84 PolarHBondContact O-N 3.33Å
83K40.6Very low43.4Very low187 Ų187157 Ų15781%0.81380%0.796SS**  trans-76.897.4167.6-71.1-175.6176.6-175.20108.8V81 N85V81-K83 PolarHBondContact O-N 3.27Å; K83-N85 PolarHBondContact O-N 2.8Å
84T41.6Very low43.8Very low121 Ų121159.1 Ų159.174%0.74279%0.794SS**  trans-77.3110.8161.649.70000107.8L82 F86L82-T84 PolarHBondContact O-N 3.33Å; T84-F86 PolarHBondContact O-N 3.14Å
85N39.3Very low43.5Very low154 Ų154157.3 Ų157.382%0.82480%0.795SS**  trans-66116166.8-61.3-21.8000106.8K83 E87K83-N85 PolarHBondContact O-N 2.8Å; N85-E87 PolarHBondContact O-N 3.45Å
86F41.5Very low43.5Very low196 Ų196158.6 Ų158.686%0.8680%0.796SS**  trans-87.1104.4173.6-151.9-93000106.4T84T84-F86 PolarHBondContact O-N 3.14Å
87E44.6Very low43.1Very low181 Ų181158.8 Ų158.885%0.84680%0.798SS**  trans-83.1117.7170.2-163.8147.6-149.200106.8N85 E89N85-E87 PolarHBondContact O-N 3.45Å; E87-E89 PolarHBondContact O-N 2.84Å
88E45.6Very low42.7Very low169 Ų169154.8 Ų154.879%0.7980%0.795SS**  trans-82.295.1-172.2178.7175.8-149.600109.1
89E44.2Very low42.9Very low189 Ų189151.9 Ų151.988%0.88379%0.793SS**  trans-111.296.4160.1-67.1-150.2159.900109.5E87E87-E89 PolarHBondContact O-N 2.84Å
90E50Low42.8Very low172 Ų172151.6 Ų151.680%0.80479%0.793SS**  trans-74.6124.5163.4179176.7-13900108.7
91E46.8Very low43Very low175 Ų175150.9 Ų150.982%0.81879%0.79SS**  170.8165.5129.7-96.8-163.7-16900113.4
92V38.9Very low43.4Very low133 Ų133155.4 Ų155.481%0.80679%0.793SS**  trans86.8110.8164.3-163.60000117.9
93D44.7Very low43.8Very low141 Ų141154.1 Ų154.175%0.75479%0.792SS**  trans-66.4168.5172-163.97.1000113.6
94E49Very low45.3Very low154 Ų154150 Ų15072%0.7278%0.775SS**  trans45.1105.1168.2-69.3-168.3130.800118.3
95Q40Very low46.8Very low188 Ų188147.6 Ų147.688%0.87976%0.759SS**  -174.3138.7108.3-99.1147.962.100116.2
96N40.2Very low48.6Very low139 Ų139144.8 Ų144.874%0.74375%0.75SS**  trans74.560.6142.1-153.84.5000119.5A98N96-A98 PolarHBondContact O-N 3.05Å; N96-A98 WeakPolarHBondContact OD1-CB 3.3Å
97D34.3Very low50.5Low145 Ų145141.3 Ų141.378%0.77574%0.736SS**  trans-77.567.8163.3-166.96.3000112.2S99D97-S99 PolarHBondContact O-N 2.95Å
98A38.9Very low52.2Low90 Ų90136.4 Ų136.474%0.74471%0.713SS**THydrogen-bonded Turntrans-7756.8177.900000113.2N96N96-A98 PolarHBondContact O-N 3.05Å; N96-A98 WeakPolarHBondContact OD1-CB 3.3Å
99S49.8Very low54.1Low96 Ų96130.8 Ų130.867%0.67169%0.688SS**THydrogen-bonded Turntrans-143.32.3172.2-156.60000115.7D97 L101D97-S99 PolarHBondContact O-N 2.95Å; S99-L101 PolarHBondContact O-N 2.75Å
100S44.3Very low56.3Low110 Ų110128.5 Ų128.577%0.76968%0.678SS**  trans-95.561.9177.9-177.30000113.9
101L46.5Very low58Low151 Ų151126.2 Ų126.279%0.79167%0.667SS**  trans-124.643.3171.3-136.1167000112.5S99S99-L101 PolarHBondContact O-N 2.75Å
102W50.2Low59.9Low218 Ų218122.4 Ų122.483%0.82665%0.648SS**  trans-98.8103.6162.9-67.21.6000108.7K104W102-K104 VanDerWaalsContact C-N 3.31Å; W102-K104 PolarHBondContact O-N 3.21Å
103T48.6Very low62.3Low128 Ų128124.2 Ų124.279%0.78564%0.64SS**  trans-69.685.7178.1-43.10000110T105T103-T105 PolarHBondContact O-N 3.49Å
104K72.6Confident64.5Low101 Ų101119.9 Ų119.944%0.43962%0.623SS.*  trans-57.2124.7179.2-64.5-172.4167169.50110.1W102 E108 I109W102-K104 VanDerWaalsContact C-N 3.31Å; W102-K104 PolarHBondContact O-N 3.21Å; K104-E108 WeakPolarHBondContact CA-OE2 3.48Å; K104-E108 WeakPolarHBondContact CB-OE2 3.39Å; K104-E108 VanDerWaalsContact CD-OE1 3.26Å; K104-E108 WeakPolarHBondContact CD-OE1 3.23Å; K104-E108 WeakPolarHBondContact CE-OE1 3.41Å; K104-E108 WeakPolarHBondContact CG-OE1 3.28Å; K104-E108 WeakPolarHBondContact CG-OE2 3.33Å; K104-I109 HydrophobicContact CB-CD1 4.29Å; K104-I109 HydrophobicContact CB-CG1 4.03Å
105T73.8Confident66.4Low69 Ų69117.1 Ų117.142%0.42361%0.612SS.*  trans-70.3156.2-178.476.20000110.1T103 E107 E108 I109T103-T105 PolarHBondContact O-N 3.49Å; T105-E107 WeakPolarHBondContact CB-OE2 3.39Å; T105-E107 PolarHBondContact O-N 3.35Å; T105-E107 PolarHBondContact OG1-OE2 3.45Å; T105-E108 PolarHBondContact O-N 2.95Å; T105-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 PolarHBondContact OG1-N 3.08Å; T105-I109 WeakPolarHBondContact O-CG1 3.09Å; T105-I109 PolarHBondContact O-N 2.82Å
106P77Confident68.8Low95 Ų95116 Ų11662%0.61761%0.605SS**Hα-helixtrans-56.6-32.7177.821.9-33.1000112.7I109 E110P106-I109 PolarHBondContact O-N 3.28Å; P106-E110 PolarHBondContact O-N 3.11Å
107E80.6Confident70.9Confident124 Ų124114.4 Ų114.458%0.57959%0.593SS**Hα-helixtrans-65.2-45.2175.7-53.780.7-173.700111.7T105 I109 E110 E111T105-E107 WeakPolarHBondContact CB-OE2 3.39Å; T105-E107 PolarHBondContact O-N 3.35Å; T105-E107 PolarHBondContact OG1-OE2 3.45Å; E107-I109 PolarHBondContact O-N 3.29Å; E107-E110 PolarHBondContact O-N 3.28Å; E107-E110 VanDerWaalsContact O-N 3.14Å; E107-E111 WeakPolarHBondContact O-CB 3.36Å; E107-E111 PolarHBondContact O-N 2.6Å
108E79.6Confident73.2Confident77 Ų77113.7 Ų113.736%0.3659%0.586SS.*Hα-helixtrans-63.6-31.9175.5-165.1-157.7142.600111.5K104 T105 K112K104-E108 WeakPolarHBondContact CA-OE2 3.48Å; K104-E108 WeakPolarHBondContact CB-OE2 3.39Å; K104-E108 VanDerWaalsContact CD-OE1 3.26Å; K104-E108 WeakPolarHBondContact CD-OE1 3.23Å; K104-E108 WeakPolarHBondContact CE-OE1 3.41Å; K104-E108 WeakPolarHBondContact CG-OE1 3.28Å; K104-E108 WeakPolarHBondContact CG-OE2 3.33Å; T105-E108 PolarHBondContact O-N 2.95Å; T105-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 PolarHBondContact OG1-N 3.08Å; E108-K112 WeakPolarHBondContact O-CB 3.44Å; E108-K112 WeakPolarHBondContact O-CG 3.36Å; E108-K112 PolarHBondContact O-N 3.3Å; E108-K112 VanDerWaalsContact O-N 3.09Å
109I86.3Confident75.3Confident51 Ų51112 Ų11226%0.26257%0.568SS.*Hα-helixtrans-72.4-32.4176.1-64.2170.4000111.9K104 T105 P106 E107 K112 R113K104-I109 HydrophobicContact CB-CD1 4.29Å; K104-I109 HydrophobicContact CB-CG1 4.03Å; T105-I109 WeakPolarHBondContact O-CG1 3.09Å; T105-I109 PolarHBondContact O-N 2.82Å; P106-I109 PolarHBondContact O-N 3.28Å; E107-I109 PolarHBondContact O-N 3.29Å; I109-K112 WeakPolarHBondContact O-CG 3.33Å; I109-R113 WeakPolarHBondContact O-CD 3.28Å; I109-R113 VanDerWaalsContact O-CG 3.24Å; I109-R113 WeakPolarHBondContact O-CG 3.2Å
110E89.8Confident76.8Confident142 Ų142116.8 Ų116.866%0.66457%0.573SS**Hα-helixtrans-77.6-44.8173.8-172.7167.4-166.900111.3P106 E107 K112 R113 A114P106-E110 PolarHBondContact O-N 3.11Å; E107-E110 PolarHBondContact O-N 3.28Å; E107-E110 VanDerWaalsContact O-N 3.14Å; E110-K112 PolarHBondContact O-N 2.83Å; E110-R113 CarbonylContact O-C 3.59Å; E110-R113 WeakPolarHBondContact O-CA 3.27Å; E110-R113 WeakPolarHBondContact O-CB 3.45Å; E110-R113 PolarHBondContact O-N 2.95Å; E110-A114 PolarHBondContact O-N 3.32Å
111E85.6Confident78.5Confident123 Ų123118.5 Ų118.558%0.57557%0.567SS**Hα-helixtrans-58.4-48.6177.9-176.4176-170.400111.7E107 R113 A114 I115E107-E111 WeakPolarHBondContact O-CB 3.36Å; E107-E111 PolarHBondContact O-N 2.6Å; E111-R113 PolarHBondContact O-N 3.07Å; E111-A114 PolarHBondContact O-N 2.9Å; E111-A114 VanDerWaalsContact O-N 3.16Å; E111-I115 HydrophobicContact CG-CD1 3.85Å; E111-I115 HydrophobicContact CG-CG1 4.44Å; E111-I115 WeakPolarHBondContact O-CG1 3.42Å; E111-I115 PolarHBondContact O-N 2.74Å
112K87.7Confident79.8Confident96 Ų96114.1 Ų114.142%0.41755%0.549SS..Hα-helixtrans-63.3-27.6176.778.4-168.5-176-166.50113.1E108 I109 E110 K116E108-K112 WeakPolarHBondContact O-CB 3.44Å; E108-K112 WeakPolarHBondContact O-CG 3.36Å; E108-K112 PolarHBondContact O-N 3.3Å; E108-K112 VanDerWaalsContact O-N 3.09Å; I109-K112 WeakPolarHBondContact O-CG 3.33Å; E110-K112 PolarHBondContact O-N 2.83Å; K112-K116 VanDerWaalsContact O-CB 3.27Å; K112-K116 WeakPolarHBondContact O-CB 3.47Å; K112-K116 PolarHBondContact O-N 2.87Å; K112-K116 VanDerWaalsContact O-N 3.13Å
113R89.4Confident80.7Confident171 Ų171106.5 Ų106.565%0.64554%0.538SS*.Hα-helixtrans-75-44.4174.1-74.9172-178.2179.13110.6I109 E110 E111 K116 E117I109-R113 WeakPolarHBondContact O-CD 3.28Å; I109-R113 VanDerWaalsContact O-CG 3.24Å; I109-R113 WeakPolarHBondContact O-CG 3.2Å; E110-R113 CarbonylContact O-C 3.59Å; E110-R113 WeakPolarHBondContact O-CA 3.27Å; E110-R113 WeakPolarHBondContact O-CB 3.45Å; E110-R113 PolarHBondContact O-N 2.95Å; E111-R113 PolarHBondContact O-N 3.07Å; R113-K116 PolarHBondContact O-N 3.12Å; R113-E117 WeakPolarHBondContact O-CB 3.42Å; R113-E117 PolarHBondContact O-N 3.47Å
114A90.4Very high81Confident49 Ų49108.4 Ų108.441%0.40554%0.538SS..Hα-helixtrans-60.4-46.4175.800000111.5E110 E111 K116 E117 M118E110-A114 PolarHBondContact O-N 3.32Å; E111-A114 PolarHBondContact O-N 2.9Å; E111-A114 VanDerWaalsContact O-N 3.16Å; A114-K116 PolarHBondContact O-N 2.99Å; A114-E117 PolarHBondContact O-N 3.32Å; A114-M118 WeakPolarHBondContact O-CB 3.28Å; A114-M118 VanDerWaalsContact O-CG 3.25Å; A114-M118 WeakPolarHBondContact O-CG 3.29Å; A114-M118 PolarHBondContact O-N 3.3Å
115I89.2Confident79.8Confident96 Ų96111.3 Ų111.349%0.49255%0.547SS..Hα-helixtrans-59.4-48.5174.4-66.4167.4000110.4E111 E117 M118 C119E111-I115 HydrophobicContact CG-CD1 3.85Å; E111-I115 HydrophobicContact CG-CG1 4.44Å; E111-I115 WeakPolarHBondContact O-CG1 3.42Å; E111-I115 PolarHBondContact O-N 2.74Å; I115-E117 VanDerWaalsContact C-N 3.33Å; I115-E117 PolarHBondContact O-N 2.8Å; I115-M118 PolarHBondContact O-N 3.31Å; I115-C119 PolarHBondContact O-N 3.16Å; I115-C119 PolarHBondContact O-SG 3.13Å
116K89.5Confident78.4Confident164 Ų164117 Ų11771%0.71356%0.562SS**Hα-helixtrans-60.7-40.2178.4-174.5175.1-178.21770112.6K112 R113 A114 Y120K112-K116 VanDerWaalsContact O-CB 3.27Å; K112-K116 WeakPolarHBondContact O-CB 3.47Å; K112-K116 PolarHBondContact O-N 2.87Å; K112-K116 VanDerWaalsContact O-N 3.13Å; R113-K116 PolarHBondContact O-N 3.12Å; A114-K116 PolarHBondContact O-N 2.99Å; K116-Y120 WeakPolarHBondContact O-CB 3.44Å; K116-Y120 PolarHBondContact O-N 3.09Å
117E85.6Confident76.7Confident106 Ų106122.6 Ų122.650%0.49557%0.571SS.*Hα-helixtrans-68.1-41.3176.8-170.3-176.1153.100111.7R113 A114 I115 Y120 K121R113-E117 WeakPolarHBondContact O-CB 3.42Å; R113-E117 PolarHBondContact O-N 3.47Å; A114-E117 PolarHBondContact O-N 3.32Å; I115-E117 VanDerWaalsContact C-N 3.33Å; I115-E117 PolarHBondContact O-N 2.8Å; E117-Y120 PolarHBondContact O-N 3.05Å; E117-K121 HydrophobicContact CG-CD 4.15Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 WeakPolarHBondContact O-CG 3.41Å; E117-K121 PolarHBondContact O-N 3.28Å; E117-K121 VanDerWaalsContact OE1-CE 3.32Å; E117-K121 WeakPolarHBondContact OE1-CE 3.42Å; E117-K121 IonicContact OE1-NZ 2.6Å; E117-K121 PolarHBondContact OE1-NZ 2.99Å
118M82.9Confident74.8Confident130 Ų130123.6 Ų123.664%0.6457%0.574SS**Hα-helixtrans-63-44.9175-73.2-61.6-63.100111.7A114 I115 K121 S122A114-M118 WeakPolarHBondContact O-CB 3.28Å; A114-M118 VanDerWaalsContact O-CG 3.25Å; A114-M118 WeakPolarHBondContact O-CG 3.29Å; A114-M118 PolarHBondContact O-N 3.3Å; I115-M118 PolarHBondContact O-N 3.31Å; M118-K121 PolarHBondContact O-N 3.27Å; M118-S122 WeakPolarHBondContact O-CB 3.22Å; M118-S122 PolarHBondContact O-N 3.09Å; M118-S122 PolarHBondContact O-OG 3.4Å
119C83Confident72.8Confident54 Ų54127.5 Ų127.537%0.36559%0.592SS.*Hα-helixtrans-66.2-35.4175.7-65.60000113I115 S122 G123I115-C119 PolarHBondContact O-N 3.16Å; I115-C119 PolarHBondContact O-SG 3.13Å; C119-S122 PolarHBondContact O-OG 3.37Å; C119-G123 PolarHBondContact O-N 3.41Å
120Y81.1Confident70.5Confident197 Ų197130.7 Ų130.777%0.77361%0.614SS**Hα-helixtrans-67.3-39.5173.7-176.9-101.3000111.5K116 E117K116-Y120 WeakPolarHBondContact O-CB 3.44Å; K116-Y120 PolarHBondContact O-N 3.09Å; E117-Y120 PolarHBondContact O-N 3.05Å
121K79.1Confident68.2Low146 Ų146128.6 Ų128.664%0.63561%0.612SS**Hα-helixtrans-76.4-29.5177.8-75.4176.9172.3174.10114.1E117 M118 G123E117-K121 HydrophobicContact CG-CD 4.15Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 WeakPolarHBondContact O-CG 3.41Å; E117-K121 PolarHBondContact O-N 3.28Å; E117-K121 VanDerWaalsContact OE1-CE 3.32Å; E117-K121 WeakPolarHBondContact OE1-CE 3.42Å; E117-K121 IonicContact OE1-NZ 2.6Å; E117-K121 PolarHBondContact OE1-NZ 2.99Å; M118-K121 PolarHBondContact O-N 3.27Å; K121-G123 VanDerWaalsContact C-N 3.28Å
122S74.4Confident66.1Low59 Ų59128.1 Ų128.141%0.41362%0.62SS.*Hα-helixtrans-75.9-18.1175.674.20000112.7M118 C119 E124M118-S122 WeakPolarHBondContact O-CB 3.22Å; M118-S122 PolarHBondContact O-N 3.09Å; M118-S122 PolarHBondContact O-OG 3.4Å; C119-S122 PolarHBondContact O-OG 3.37Å; S122-E124 WeakPolarHBondContact CB-OE2 3.26Å; S122-E124 PolarHBondContact O-N 3.32Å; S122-E124 PolarHBondContact OG-OE2 3.47Å
123G67.6Low63.5Low58 Ų58131 Ų13160%0.59864%0.64SS**  trans71.35.3-179.200000114C119 K121 Y125C119-G123 PolarHBondContact O-N 3.41Å; K121-G123 VanDerWaalsContact C-N 3.28Å; G123-Y125 PolarHBondContact O-N 3.45Å
124E56.1Low61Low169 Ų169129.7 Ų129.779%0.7964%0.644SS**THydrogen-bonded Turntrans-77.1-2.7-174.1-67.4174132.200113.5S122S122-E124 WeakPolarHBondContact CB-OE2 3.26Å; S122-E124 PolarHBondContact O-N 3.32Å; S122-E124 PolarHBondContact OG-OE2 3.47Å
125Y47.6Very low58.4Low162 Ų162135.1 Ų135.164%0.63567%0.666SS**THydrogen-bonded Turntrans-119.735-176.4-154.1-98000115.2G123G123-Y125 PolarHBondContact O-N 3.45Å
126Y43.2Very low55.9Low188 Ų188136.2 Ų136.274%0.73768%0.682SS**  trans-146.881.2157.6-87-76.2000112F128Y126-F128 AromaticContact CD1-CD2 3.76Å; Y126-F128 HydrophobicContact CD1-CD2 3.76Å; Y126-F128 HydrophobicContact CD1-CE2 4.17Å; Y126-F128 AromaticContact CE1-CD2 4Å; Y126-F128 HydrophobicContact CE1-CD2 4Å; Y126-F128 HydrophobicContact CE1-CE2 4.1Å
127R42.4Very low53.1Low213 Ų213134.6 Ų134.680%0.80469%0.691SS**  trans-123.267.9150.4-171.6179.7-78.3165.8-2.8109.6
128F39.3Very low50.7Low145 Ų145139.1 Ų139.164%0.63671%0.709SS**  trans-78.4121.6153.7-68.8-87.4000106.9Y126 T130Y126-F128 AromaticContact CD1-CD2 3.76Å; Y126-F128 HydrophobicContact CD1-CD2 3.76Å; Y126-F128 HydrophobicContact CD1-CE2 4.17Å; Y126-F128 AromaticContact CE1-CD2 4Å; Y126-F128 HydrophobicContact CE1-CD2 4Å; Y126-F128 HydrophobicContact CE1-CE2 4.1Å; F128-T130 PolarHBondContact O-N 3.35Å
129H37.7Very low48.3Very low158 Ų158137.8 Ų137.873%0.73171%0.712SS**  trans-77.9100164.3-76.3-81.5000107.3P131H129-P131 WeakPolarHBondContact O-CD 3.45Å
130T39.6Very low45.8Very low119 Ų119143.6 Ų143.673%0.7374%0.736SS**PPolyproline II helixtrans-59.4126.1159.250000107.7F128F128-T130 PolarHBondContact O-N 3.35Å
131P41.2Very low43.3Very low97 Ų97138.6 Ų138.663%0.6374%0.736SS**PPolyproline II helixtrans-57.4146.8164.7-19.632.7000109.1H129 D133H129-P131 WeakPolarHBondContact O-CD 3.45Å; P131-D133 PolarHBondContact O-N 3.4Å; P131-D133 VanDerWaalsContact O-N 3.15Å
132P39.9Very low41.1Very low113 Ų113137.4 Ų137.473%0.73474%0.743SS**PPolyproline II helixtrans-64116.4170.9-19.632.4000109.7I134P132-I134 PolarHBondContact O-N 3.09Å
133D34.2Very low38.9Very low156 Ų156140.7 Ų140.783%0.83476%0.761SS**  trans-66.593.3174.7-69.1-47.9000110.1P131 L135P131-D133 PolarHBondContact O-N 3.4Å; P131-D133 VanDerWaalsContact O-N 3.15Å; D133-L135 PolarHBondContact O-N 2.95Å
134I37.6Very low37.2Very low145 Ų145142.6 Ų142.674%0.74477%0.771SS**  trans-83.3107.5174.3-68.4178.8000108.3P132P132-I134 PolarHBondContact O-N 3.09Å
135L35.7Very low36.1Very low163 Ų163142.9 Ų142.985%0.85377%0.772SS**SBendtrans79.789.1164.5-56.3165.6000118.3D133D133-L135 PolarHBondContact O-N 2.95Å
136S36.3Very low35.8Very low119 Ų119145 Ų14583%0.83279%0.785SS**  -160.2100.7122.4-168.90000112.3
137S30.3Very low35.1Very low129 Ų129145.4 Ų145.490%0.90279%0.794SS**  trans-162.984.1160.5-84.60000109.8
138K35.7Very low34.5Very low202 Ų202143 Ų14388%0.87880%0.796SS**  trans-75.4129.5170.5176.8177.4178.9178.20108.8
139S31.1Very low34Very low101 Ų101145.3 Ų145.371%0.70681%0.808SS**  trans63.1105.5160-177.40000117.5
140M30.6Very low33.7Very low176 Ų176147 Ų14787%0.86781%0.814SS**  -174.9121.998-90-17480.900108.9
141A29.3Very low33.9Very low93 Ų93146.6 Ų146.677%0.76981%0.813SS**  trans-84.1138174.400000110.2
142P32.5Very low33.2Very low120 Ų120149.1 Ų149.178%0.77982%0.82SS**  trans-72.5133.6168.530-32.1000109.9A144P142-A144 PolarHBondContact O-N 3.37Å; P142-A144 VanDerWaalsContact O-N 3.16Å
143T29.3Very low32.6Very low129 Ų129150.7 Ų150.779%0.79182%0.818SS**  trans-58.1113.8178.1-44.90000110.7
144A32Very low32.4Very low98 Ų98150.3 Ų150.381%0.8182%0.816SS**  trans-103.1101.516600000108.2P142 K146P142-A144 PolarHBondContact O-N 3.37Å; P142-A144 VanDerWaalsContact O-N 3.16Å; A144-K146 PolarHBondContact O-N 2.95Å
145E33.3Very low32Very low174 Ų174146.3 Ų146.381%0.81381%0.811SS**  trans-60.9117.7176.5-59.6156.9-144.700110.2
146K39.8Very low31.8Very low206 Ų206144.1 Ų144.190%0.89681%0.809SS**  trans-148.9138.6143.6-77.9-140.5171.7-161.10110.6A144A144-K146 PolarHBondContact O-N 2.95Å
147E30.1Very low31.6Very low198 Ų198146 Ų14693%0.92581%0.805SS**  trans-74.1156.9-167.2-68.9167.5118.500113.7
148L29.8Very low32.2Very low163 Ų163146.4 Ų146.485%0.85380%0.796SS**  trans-64.9134.3167.8-169.692.1000110.2
149E28.8Very low32.3Very low192 Ų192143.9 Ų143.990%0.89779%0.787SS**  trans-163.9157.1137.3-111.5168.5-153.900112.8
150K30Very low32.6Very low195 Ų195147.1 Ų147.185%0.84879%0.791SS**  trans-144.5175.6-169.2-103.3-172.1-177-175.80106.7
151P43.6Very low32.7Very low110 Ų110142.8 Ų142.871%0.71479%0.791SS**  cis-133.4-140.5-17.736-13.8000110.7
152L27.4Very low33.1Very low149 Ų149145.4 Ų145.478%0.7879%0.793SS**  trans83.5133159.7-14057.8000114.7
153E27.6Very low33.1Very low147 Ų147144.6 Ų144.669%0.68779%0.789SS**  cis-167.5179.7-10.5-158.8175.5175.100109.1
154N29Very low33.4Very low147 Ų147145.6 Ų145.679%0.78679%0.789SS**  trans74.7131.6167.9-51.9-29.3000116.9
155G29.5Very low33.7Very low62 Ų62147.5 Ų147.564%0.63979%0.791SS**  cis170.9161.2-5.700000111.9
156S32.8Very low33.8Very low116 Ų116145.4 Ų145.481%0.81179%0.79SS**  trans54.4150.4165.644.80000118.8
157E31.7Very low34.2Very low159 Ų159140.9 Ų140.974%0.74378%0.782SS**  cis-163.1152-6.5-116.1-179.2115.400107.3
158L41.3Very low34.3Very low138 Ų138138.3 Ų138.372%0.72378%0.78SS**  trans45.2146.4148.6-48.3175.6000120
159Q38Very low34.8Very low149 Ų149139.2 Ų139.270%0.69678%0.777SS**  cis-156.2152.718.3-160.2168.5-16.400112.5
160E38.3Very low35.1Very low169 Ų169137.6 Ų137.679%0.7977%0.773SS**  trans-12.6151.7161.7-55.9145.916400120.8
161G31.9Very low35.1Very low84 Ų84132.8 Ų132.887%0.86676%0.764SS**  trans167.939.7164.900000118.7
162D37.4Very low34.5Very low149 Ų149136.6 Ų136.680%0.79777%0.772SS**  trans-92.8131.5172.8-175.617.1000111.5
163S32.4Very low34.8Very low102 Ų102139.5 Ų139.571%0.71378%0.775SS**  trans179.9106.2146.4-84.10000113.9
164L36.8Very low35Very low150 Ų150139.9 Ų139.979%0.78578%0.777SS**  46.8122.1125.2-56169.5000120.5
165T37.8Very low35.5Very low139 Ų139144.7 Ų144.785%0.85378%0.783SS**  172.1150.3108-68.20000111.4
166V35.9Very low35.7Very low130 Ų130150 Ų15079%0.78879%0.792SS**  trans-102-162.6-169.4-147.20000112
167P48.4Very low35.8Very low111 Ų111148.3 Ų148.372%0.72179%0.793SS**  -109.1175.4-124.642.2-26.7000115.4
168T32.1Very low35.8Very low144 Ų144149 Ų14988%0.88380%0.796SS**  trans-136145.6168.4-56.20000112.4
169K40.7Very low35.5Very low181 Ų181147.5 Ų147.579%0.78779%0.787SS**  trans-111.7174.7-174.2-66.8-165176.3-171.40113.3
170L34.5Very low35.3Very low159 Ų159148 Ų14883%0.83279%0.788SS**  trans70.5157.5160.2-96.774.6000115.6
171S29.3Very low34.8Very low94 Ų94146 Ų14666%0.65779%0.787SS**  cis-157.3175.6-7.850.30000111
172Q32.5Very low34.8Very low189 Ų189147.3 Ų147.388%0.88378%0.783SS**  trans-69.1151.1176.7-62.9154.5-36.800114.3
173Y34Very low34.6Very low210 Ų210145.5 Ų145.582%0.82478%0.782SS**  trans-158.3118.9141.548.4-90.1000106.1
174E30.6Very low34.4Very low156 Ų156148.9 Ų148.973%0.72979%0.786SS**  64.2111.278.6-170.3167.2-154.100114.3
175R40.5Very low34.2Very low247 Ų247145.2 Ų145.293%0.93279%0.785SS**  trans-151.4113.3151-141.2-178.9-159.2-146.84.2110.7
176Q33.3Very low34.5Very low174 Ų174147.1 Ų147.181%0.81378%0.781SS**  trans-77.9161166.5-62.1-177.310.200110.7
177G34.3Very low34.7Very low81 Ų81146.9 Ų146.984%0.83578%0.782SS**  trans-172.569.3-175.300000114.4
178E32.8Very low34Very low173 Ų173149.6 Ų149.681%0.80878%0.783SS**  trans-74.2158.6176.3-121.3-151.7138.300111.7
179I33.1Very low34Very low106 Ų106148 Ų14854%0.54477%0.773SS.*  cis-159.1174.69.9-14.9158.6000112
180K35.2Very low33.8Very low161 Ų161146.1 Ų146.170%0.777%0.771SS**  trans88.799.7137.8-83.3160.2-165169.90123.5
181T28.3Very low33.8Very low126 Ų126145.8 Ų145.877%0.77377%0.769SS**  51.4129.1120.859.40000123.4
182S30.4Very low34.1Very low111 Ų111145.6 Ų145.678%0.77677%0.773SS**  175.6163.5107.354.60000114.4
183S33Very low34.1Very low112 Ų112140.8 Ų140.878%0.78377%0.766SS**  trans53.2120.4175620000118.4
184H29.4Very low34.2Very low172 Ų172140.9 Ų140.980%0.79677%0.771SS**  cis70.895.544.8-166.8-76.8000115.2
185G31.3Very low34.5Very low74 Ų74141.1 Ų141.176%0.76377%0.772SS**  trans-157.3111.8167.400000112.1
186K45.2Very low34.4Very low179 Ų179136.3 Ų136.378%0.77876%0.764SS**  trans-95.1147.4169.5-60.8-176.4-179.4-176.70110
187P39.3Very low34.4Very low125 Ų125132 Ų13281%0.81277%0.766SS**  trans-105.293.4143.331.6-20.5000107.4
188K34.2Very low34.5Very low167 Ų167132.3 Ų132.373%0.72677%0.77SS**  54.1102.686.1-162.3-179.4178-159.40113D190K188-D190 IonicContact NZ-OD1 3.91Å
189T32.6Very low34.5Very low112 Ų112127 Ų12769%0.68776%0.762SS**  trans-58139.8160.8-29.60000110.6I191T189-I191 HydrophobicContact CG2-CG1 4.23Å
190D35.3Very low34.9Very low140 Ų140130.1 Ų130.175%0.74978%0.78SS**  trans-126.9127.9152.9-88.5-35.9000109.2K188K188-D190 IonicContact NZ-OD1 3.91Å
191I35.2Very low35Very low153 Ų153127.4 Ų127.479%0.78578%0.78SS**  trans-104.2121.4174.2-67164.7000105.7T189T189-I191 HydrophobicContact CG2-CG1 4.23Å
192A35.4Very low35.6Very low90 Ų90132.8 Ų132.874%0.74479%0.788SS**  trans-114.2118.3167.700000108.5
193A32.8Very low36Very low87 Ų87132.8 Ų132.872%0.71978%0.783SS**  trans-74.3144.717900000111.3
194F36Very low36.2Very low213 Ų213133 Ų13393%0.93478%0.782SS**  trans-122.1126.8150.3-84-81.9000108.3
195E36.4Very low36.5Very low161 Ų161133.6 Ų133.675%0.75279%0.785SS**  trans-98.4149.9-171.2-148.3-171.3117.300110.6
196N39.4Very low36.6Very low145 Ų145141.1 Ų141.178%0.77579%0.79SS**  trans72.2115.9161.9-57.2-44.8000119.8
197G33.8Very low36.4Very low83 Ų83138 Ų13886%0.85679%0.786SS**  trans166.160.7171.400000112.4
198G35.2Very low36.3Very low89 Ų89139 Ų13992%0.91878%0.783SS**  trans-66147.4-171.500000115
199G32.9Very low36.3Very low62 Ų62140 Ų14064%0.63979%0.788SS**  trans-170.2114.7173.100000110.3C201G199-C201 PolarHBondContact O-N 3.24Å
200D41.2Very low36.5Very low170 Ų170141.7 Ų141.791%0.90979%0.792SS**  trans-69.9112.2-163.9-52.8-38.4000112.7
201C36.9Very low36.5Very low105 Ų105139 Ų13971%0.70980%0.796SS**  trans-111.3112.9172.956.70000111.1G199 V203G199-C201 PolarHBondContact O-N 3.24Å; C201-V203 PolarHBondContact O-N 3.26Å; C201-V203 VanDerWaalsContact O-N 3.14Å
202Y42.2Very low36.3Very low238 Ų238138.2 Ų138.293%0.93380%0.799SS**  trans-65.6110.8170.7-91.7-93.7000110.1
203V37.6Very low36Very low112 Ų112141.2 Ų141.268%0.67980%0.802SS**  trans-101.4124.6174.2178.90000109.6C201 Q205C201-V203 PolarHBondContact O-N 3.26Å; C201-V203 VanDerWaalsContact O-N 3.14Å; V203-Q205 PolarHBondContact O-N 3.13Å; V203-Q205 VanDerWaalsContact O-N 3.1Å
204P38.1Very low36.2Very low117 Ų117145.6 Ų145.676%0.7681%0.808SS**  trans-67.3108.3170.1-18.632.2000110.1R206P204-R206 PolarHBondContact O-N 3.49Å
205Q34.9Very low36.1Very low184 Ų184140.4 Ų140.486%0.8680%0.798SS**  trans-73.9118.3-175.1-152.3163.820.300110.3V203 V207V203-Q205 PolarHBondContact O-N 3.13Å; V203-Q205 VanDerWaalsContact O-N 3.1Å; Q205-V207 PolarHBondContact O-N 2.9Å
206R34.9Very low35.8Very low232 Ų232141.9 Ų141.988%0.87581%0.805SS**  trans-83112.6176.4-53.6177.8-158.6-105.50.9107.7P204 I208P204-R206 PolarHBondContact O-N 3.49Å; R206-I208 PolarHBondContact O-N 2.87Å
207V40.4Very low35.4Very low114 Ų114138.7 Ų138.769%0.69180%0.799SS**  trans-72.9112.7179.5-177.20000109.3Q205 F209Q205-V207 PolarHBondContact O-N 2.9Å; V207-F209 HydrophobicContact CG1-CD2 3.67Å; V207-F209 HydrophobicContact CG1-CE2 3.53Å; V207-F209 HydrophobicContact CG1-CG 4.43Å; V207-F209 HydrophobicContact CG1-CZ 4.17Å
208I36.8Very low35.2Very low144 Ų144142.8 Ų142.874%0.73880%0.8SS**  trans-97.7109.8165.4-60.3174.2000106.3R206 L210R206-I208 PolarHBondContact O-N 2.87Å; I208-L210 PolarHBondContact O-N 3.14Å
209F33.5Very low34.9Very low189 Ų189144.1 Ų144.183%0.82979%0.79SS**  trans-77.1103.2167-82.8-83.2000108.8V207V207-F209 HydrophobicContact CG1-CD2 3.67Å; V207-F209 HydrophobicContact CG1-CE2 3.53Å; V207-F209 HydrophobicContact CG1-CG 4.43Å; V207-F209 HydrophobicContact CG1-CZ 4.17Å
210L36.9Very low34.9Very low148 Ų148148.9 Ų148.978%0.77580%0.796SS**  trans-77.9118.6157.9-78.4165.2000107.4I208 V212I208-L210 PolarHBondContact O-N 3.14Å; L210-V212 PolarHBondContact O-N 3.19Å
211G35.4Very low34.5Very low82 Ų82148.4 Ų148.485%0.84579%0.789SS**  trans-65.4127.8169.300000109.6
212V31.7Very low34.6Very low137 Ų137153.5 Ų153.583%0.8380%0.799SS**  trans-122139.6170.8175.60000107.8L210L210-V212 PolarHBondContact O-N 3.19Å
213D28.6Very low34.1Very low153 Ų153149.9 Ų149.982%0.81879%0.79SS**  trans-69157.4-163.8-154.42.9000114.2
214E37Very low33.9Very low179 Ų179152.7 Ų152.784%0.83680%0.8SS**  trans-88.7129.9175.1-65.2-177.3131.100110.9
215S34.1Very low33.6Very low104 Ų104152 Ų15273%0.72779%0.793SS**  trans-176132.6143.121.80000113.5
216E30.7Very low33.4Very low193 Ų193151.7 Ų151.790%0.90280%0.796SS**  trans57.6154146.9-59-177.7162.500120.8
217A30.6Very low33.3Very low78 Ų78145.3 Ų145.365%0.64579%0.787SS**  cis-173.3136.4-33.200000107.7
218L29.9Very low32.9Very low168 Ų168149 Ų14988%0.8879%0.793SS**  trans63.9156.7167.8-52.4176.2000114.8
219T29.8Very low32.4Very low117 Ų117148.1 Ų148.172%0.71880%0.799SS**  cis-149.5151.2-1022.90000104.6
220E31.6Very low32.4Very low163 Ų163144.5 Ų144.576%0.76280%0.797SS**  177.5133.789.7-97.5-173.717400110.5
221E32.2Very low32.1Very low160 Ų160145 Ų14575%0.74880%0.8SS**  trans14.112414450.6-171.4117.400122.4
222K39.8Very low32Very low211 Ų211148.1 Ų148.192%0.91780%0.803SS**  -159123.9115.4-112.9162.5-171165.40114.2
223E31.9Very low32.2Very low163 Ų163150.1 Ų150.176%0.76280%0.801SS**  trans-98.3136.9179.3178.5-175.8-160.600110.4
224I33.6Very low32.3Very low171 Ų171149.3 Ų149.388%0.87780%0.796SS**  trans-135.9125.7153.7-59.6-176.3000108.8
225T30.6Very low32Very low102 Ų102148.6 Ų148.663%0.62680%0.798SS**  trans-87.2154-176.129.70000113.2
226I32.5Very low32.2Very low178 Ų178152.1 Ų152.191%0.91380%0.801SS**  trans-157.2145.1142.8-98.2146.2000108.7
227S31.6Very low32.3Very low98 Ų98150.5 Ų150.569%0.68580%0.798SS**  trans-117152.2-160.755.80000114.6
228K32.2Very low32.5Very low191 Ų191151.6 Ų151.683%0.8380%0.801SS**  173.2126.7119.2-95.4166.8179.5175.50114.2
229C27.2Very low32.7Very low126 Ų126149.3 Ų149.385%0.85180%0.799SS**  trans25.7150140.3-48.70000121.3
230S33.8Very low32.9Very low113 Ų113152.7 Ų152.779%0.7981%0.806SS**  cis-158.3151.526.554.40000116
231N29.1Very low33.5Very low157 Ų157150.3 Ų150.384%0.8481%0.805SS**  trans-20.8144165.6-70.3-45.3000121.3
232T33.1Very low33.6Very low148 Ų148152.3 Ų152.391%0.90881%0.811SS**  -135.6152129.8-27.10000109.8
233K36.1Very low33.1Very low179 Ų179154.3 Ų154.378%0.77881%0.813SS**  trans-78.6145.5-162.1-81.3-178158.4-179.80117.2
234D31.9Very low33.1Very low136 Ų136151.7 Ų151.773%0.72781%0.813SS**  30.8120.3127.4-38-39.9000119.7
235N29.3Very low33.2Very low165 Ų165151.8 Ų151.888%0.88281%0.814SS**  -149.8151.1108.7-146.7-14.1000112.4
236K39.2Very low33.1Very low178 Ų178153.2 Ų153.277%0.77482%0.823SS**  trans-79.1147.2174.2-73.7-179.2171.4-1770110.3
237D32.7Very low33.3Very low158 Ų158150.8 Ų150.885%0.84582%0.816SS**  -165.2154.297.2-110.3-24.6000114.6
238S35.1Very low33.4Very low102 Ų102156.9 Ų156.971%0.71382%0.824SS**  trans-100.2139.8-17357.30000112.7
239S33.1Very low33.5Very low119 Ų119155.6 Ų155.683%0.83283%0.826SS**  -178.3122.413036.30000113.4
240H34.3Very low34.1Very low189 Ų189155.2 Ų155.288%0.87582%0.819SS**  trans-92151152.7-77-51.2000107.5
241P43.6Very low34.3Very low113 Ų113155.3 Ų155.373%0.73482%0.817SS**  -150.914878.137.2-16.9000118.5
242K34.7Very low34.7Very low201 Ų201153 Ų15387%0.87481%0.809SS**  trans44.6115.8136.7-58.5176.5180179.60119.2
243R30.1Very low35.1Very low254 Ų254151.9 Ų151.996%0.95880%0.802SS**  trans-149114.9130.1-116.5172.6-174.6172.61.9111.8
244S31.6Very low35.2Very low108 Ų108151 Ų15176%0.75580%0.8SS**  trans-86.8132.3171.947.10000110.2
245L35.7Very low35.4Very low172 Ų172150.8 Ų150.890%0.90180%0.804SS**  trans-132.5116.6161.6-78.2178.2000110.3
246T29.4Very low36Very low132 Ų132150.4 Ų150.481%0.8180%0.801SS**  trans-74.7125.2172.7-59.20000109.9
247T35.3Very low36Very low127 Ų127149.7 Ų149.778%0.77981%0.806SS**  trans-128.8117.7156.7-52.50000109.5
248R33.7Very low36.4Very low226 Ų226145.9 Ų145.985%0.85380%0.796SS**  trans-83.2123.8-178.8-168.8-171.2-168-149.85.3109
249L35.5Very low36.6Very low164 Ų164147.2 Ų147.286%0.85980%0.8SS**  trans-134.8138.3165.8-79.1177.2000111.1
250V38.3Very low37.1Very low118 Ų118149.3 Ų149.372%0.71580%0.797SS**  trans-85.6141.4-177.2174.40000109.2T252V250-T252 PolarHBondContact O-N 3.28Å
251P37.9Very low37.2Very low116 Ų116147.7 Ų147.775%0.75379%0.794SS**  trans-79.4106.8177.830.5-32.4000111.3
252T38.6Very low37Very low109 Ų109149.2 Ų149.267%0.66980%0.795SS**  trans-88.1108.6167.6-56.60000109.6V250 H254V250-T252 PolarHBondContact O-N 3.28Å; T252-H254 PolarHBondContact O-N 3.15Å
253T41.8Very low37.2Very low124 Ų124145 Ų14576%0.76179%0.791SS**  trans-81.1103.3178.251.40000111.8
254H38Very low37.5Very low159 Ų159140 Ų14074%0.73678%0.78SS**  trans-119.696.8162.1-72.6-63.1000110T252 L256T252-H254 PolarHBondContact O-N 3.15Å; H254-L256 PolarHBondContact O-N 3.36Å
255V36.5Very low37.8Very low133 Ų133144.4 Ų144.481%0.80679%0.786SS**  trans-83.299.7170.41790000108.1
256L41.7Very low37.6Very low157 Ų157141.2 Ų141.282%0.82278%0.777SS**  trans-93.2117.6166.2-69.3176.8000109H254 A258H254-L256 PolarHBondContact O-N 3.36Å; L256-A258 PolarHBondContact O-N 3.06Å
257N38.6Very low38Very low162 Ų162146 Ų14687%0.86678%0.78SS**  trans-71.6110.9168.6-92.7-24.2000109.3
258A40.5Very low38.1Very low78 Ų78148 Ų14865%0.64578%0.78SS**  trans-127102.1168.100000109.5L256 E260L256-A258 PolarHBondContact O-N 3.06Å; A258-E260 VanDerWaalsContact C-N 3.35Å; A258-E260 HydrophobicContact CB-CG 4.45Å; A258-E260 PolarHBondContact O-N 3.31Å; A258-E260 VanDerWaalsContact O-N 3.17Å
259T39.8Very low37.9Very low131 Ų131144.8 Ų144.880%0.80478%0.78SS**  trans-83.383.1169.9-51.10000108.3N261T259-N261 PolarHBondContact O-N 3.2Å
260E42.6Very low38.4Very low163 Ų163143.1 Ų143.176%0.76278%0.779SS**  trans-72.5120.4178.3-68-168.9151.600111.4A258 I262A258-E260 VanDerWaalsContact C-N 3.35Å; A258-E260 HydrophobicContact CB-CG 4.45Å; A258-E260 PolarHBondContact O-N 3.31Å; A258-E260 VanDerWaalsContact O-N 3.17Å; E260-I262 PolarHBondContact O-N 3.35Å; E260-I262 VanDerWaalsContact O-N 3.15Å
261N38.2Very low38.3Very low154 Ų154143 Ų14382%0.82478%0.783SS**  trans-75.299.6173.3-74-50.2000109.9T259 S263T259-N261 PolarHBondContact O-N 3.2Å; N261-S263 PolarHBondContact O-N 3.42Å
262I37.7Very low38.2Very low145 Ų145143.2 Ų143.274%0.74479%0.788SS**  trans-71.892.9177.6-62.9176000110.2E260 M264E260-I262 PolarHBondContact O-N 3.35Å; E260-I262 VanDerWaalsContact O-N 3.15Å; I262-M264 HydrophobicContact CG2-CG 3.67Å; I262-M264 HydrophobicContact CG2-SD 4.13Å; I262-M264 PolarHBondContact O-N 2.9Å
263S38.9Very low37.9Very low113 Ų113145.5 Ų145.579%0.7979%0.793SS**  trans-90.187.6167.1178.80000109.7N261 K265N261-S263 PolarHBondContact O-N 3.42Å; S263-K265 PolarHBondContact O-N 3.31Å
264M37.4Very low37.6Very low149 Ų149146.1 Ų146.173%0.73479%0.791SS**  trans-79.3105173.8-76.5-179.170.600110.9I262 C266I262-M264 HydrophobicContact CG2-CG 3.67Å; I262-M264 HydrophobicContact CG2-SD 4.13Å; I262-M264 PolarHBondContact O-N 2.9Å; M264-C266 PolarHBondContact O-N 3.4Å; M264-C266 VanDerWaalsContact O-N 3.11Å
265K37.3Very low37.6Very low201 Ų201146 Ų14687%0.87480%0.796SS**  trans-67.797.6157-82.2-174.2172.8-178.90108.9S263 R267S263-K265 PolarHBondContact O-N 3.31Å; K265-R267 PolarHBondContact O-N 3.14Å
266C32.6Very low37.7Very low104 Ų104146.3 Ų146.370%0.70380%0.798SS**PPolyproline II helixtrans-72.4122.9162.8-63.80000108.6M264M264-C266 PolarHBondContact O-N 3.4Å; M264-C266 VanDerWaalsContact O-N 3.11Å
267R37.1Very low37.7Very low234 Ų234147 Ų14788%0.88380%0.797SS**PPolyproline II helixtrans-73.6142.3165.7-82.5-175167.9-88.93.7109.4K265K265-R267 PolarHBondContact O-N 3.14Å
268E36.9Very low37.9Very low169 Ų169145.2 Ų145.279%0.7979%0.794SS**PPolyproline II helixtrans-67.5134.9164.5-62.182.2175.800111.2
269D30.5Very low37.8Very low157 Ų157147.9 Ų147.984%0.8480%0.802SS**  trans-146.8128.7148.5-95.6-43000108.5
270P45.9Very low38.1Very low129 Ų129151.3 Ų151.384%0.83881%0.806SS**  trans-102.595.6-168.236.3-32.2000113.4
271S35.9Very low38.3Very low116 Ų116152.9 Ų152.981%0.81181%0.81SS**  trans-159.7102.8167-170.20000115.2
272S35.3Very low38.7Very low120 Ų120150.8 Ų150.884%0.83981%0.805SS**  163.8129.3125.752.90000109.5
273M33.7Very low39Very low158 Ų158152.7 Ų152.778%0.77881%0.81SS**  trans-94153.9-178.3-71.9-164.372.300112.4
274N34.8Very low39.1Very low137 Ų137156.5 Ų156.573%0.73381%0.813SS**  trans68.7127.3163.9-43-46.6000113.5
275D38.3Very low39.8Very low155 Ų155158.5 Ų158.583%0.82982%0.818SS**  -167.5118.953.1-148.1-20.7000110.2
276V37.9Very low40Very low140 Ų140152.7 Ų152.785%0.84882%0.815SS**  trans-148.6124.9171.8-173.20000110.4
277Q41.3Very low40.8Very low171 Ų171154.4 Ų154.480%0.79982%0.822SS**  trans-65142.5175.7-69.8-168.5-7.400112.7V279Q277-V279 PolarHBondContact O-N 3.35Å; Q277-V279 VanDerWaalsContact O-N 3.09Å
278P42.5Very low41.5Very low126 Ų126152.7 Ų152.782%0.81882%0.821SS**  trans-74.7102.4176.829.8-33.8000111.8K280P278-K280 PolarHBondContact O-N 3.27Å
279V39.7Very low42.1Very low133 Ų133154 Ų15481%0.80682%0.824SS**PPolyproline II helixtrans-58.8127.2167.5176.20000109.8Q277 K281Q277-V279 PolarHBondContact O-N 3.35Å; Q277-V279 VanDerWaalsContact O-N 3.09Å; V279-K281 PolarHBondContact O-N 3.22Å
280K45.5Very low43Very low203 Ų203157.5 Ų157.588%0.88383%0.825SS**PPolyproline II helixtrans-59.7116.7-178.5-73.8175.3176.2172.30111.4P278P278-K280 PolarHBondContact O-N 3.27Å
281K46.8Very low43.1Very low196 Ų196160.8 Ų160.885%0.85283%0.827SS**PPolyproline II helixtrans-73139.7170.7-66.7179.5179.41770110.7V279V279-K281 PolarHBondContact O-N 3.22Å
282P45.7Very low43.1Very low110 Ų110167 Ų16771%0.71483%0.832SS**PPolyproline II helixtrans-70.4141.8172.729.1-33.5000111.3F284P282-F284 PolarHBondContact O-N 3.11Å; P282-F284 VanDerWaalsContact O-N 3.11Å
283H44.1Very low43.4Very low185 Ų185168.2 Ų168.286%0.85683%0.828SS**  trans-79.493.5-168.6-145.2-53.8000111.8K285H283-K285 PolarHBondContact O-N 2.94Å
284F41.6Very low43.3Very low194 Ų194170.7 Ų170.785%0.85183%0.83SS**  trans-67.7115.6171.3-102.4-92.2000110.6P282 G286P282-F284 PolarHBondContact O-N 3.11Å; P282-F284 VanDerWaalsContact O-N 3.11Å; F284-G286 PolarHBondContact O-N 3.1Å
285K53.5Low43.5Very low190 Ų190171.5 Ų171.583%0.82683%0.834SS**  trans-73.4120.3171.5-70.3-172.8177.9-177.90109H283 V287H283-K285 PolarHBondContact O-N 2.94Å; K285-V287 PolarHBondContact O-N 2.98Å
286G41.3Very low43.8Very low79 Ų79171.8 Ų171.881%0.81483%0.831SS**  trans-63.2124.3-175.900000113.1F284 K288F284-G286 PolarHBondContact O-N 3.1Å; G286-K288 PolarHBondContact O-N 3.34Å
287V47.7Very low44Very low140 Ų140170.9 Ų170.985%0.84883%0.828SS**  trans-73.1114.3171.3178.60000109K285 K289K285-V287 PolarHBondContact O-N 2.98Å; V287-K289 PolarHBondContact O-N 3.41Å
288K51.7Low43.8Very low199 Ų199172.1 Ų172.187%0.86583%0.83SS**  trans-66.2104.8179.9-169.8174.3-175.3176.10110.1G286 R290G286-K288 PolarHBondContact O-N 3.34Å; K288-R290 PolarHBondContact O-N 3.21Å; K288-R290 VanDerWaalsContact O-N 3.13Å
289K49.9Very low43.5Very low197 Ų197173.5 Ų173.586%0.85783%0.831SS**  trans-57.6115.8173.5-71.1-172.5176.7-1770109.6V287 K291V287-K289 PolarHBondContact O-N 3.41Å; K289-K291 PolarHBondContact O-N 3.19Å
290R51Low43.6Very low230 Ų230177.1 Ų177.187%0.86884%0.836SS**PPolyproline II helixtrans-71.9123.2165.3-96.4-179.3-82.2-175-4.1108K288K288-R290 PolarHBondContact O-N 3.21Å; K288-R290 VanDerWaalsContact O-N 3.13Å
291K47.9Very low43.5Very low198 Ų198173.2 Ų173.286%0.86183%0.832SS**PPolyproline II helixtrans-72.1124.6163.7-66.4-176.8177.8-175.80107K289K289-K291 PolarHBondContact O-N 3.19Å
292W34.3Very low42.9Very low246 Ų246171.5 Ų171.593%0.93283%0.832SS**PPolyproline II helixtrans-76.6125.7164.5-68.293.3000107.5
293I42.5Very low42.5Very low146 Ų146172 Ų17275%0.74984%0.837SS**PPolyproline II helixtrans-96.4131.9166.1-60176.2000105.6
294Y30.5Very low41.9Very low210 Ų210167 Ų16782%0.82484%0.836SS**  trans-84.7113.3177.1-160.9-89.9000107.6
295D40.8Very low41.6Very low153 Ų153165.6 Ų165.682%0.81883%0.834SS**  trans-81.9115.7171.8-95.7-37.3000109.1
296E42.8Very low40.7Very low162 Ų162167 Ų16776%0.75783%0.834SS**  trans-69.1139169.3-80.3-174.3130.600111.1K298E296-K298 PolarHBondContact O-N 3.22Å
297P43.6Very low40.5Very low120 Ų120175.3 Ų175.378%0.77984%0.841SS**  trans-7299.6175.229.6-33.3000110.5N299P297-N299 PolarHBondContact O-N 3.47Å
298K37.6Very low39.9Very low198 Ų198173.1 Ų173.186%0.86184%0.838SS**PPolyproline II helixtrans-67.8123.6173.3-83.1179.3175.7171.50111.5E296E296-K298 PolarHBondContact O-N 3.22Å
299N36.1Very low39.2Very low154 Ų154169.9 Ų169.982%0.82483%0.834SS**PPolyproline II helixtrans-62.3141.4168.2-71-72.5000111.3P297P297-N299 PolarHBondContact O-N 3.47Å
300F40.6Very low38.5Very low209 Ų209169.3 Ų169.392%0.91784%0.835SS**PPolyproline II helixtrans-73.1144174.1-66.1-89000111.9
301P43.6Very low37.8Very low122 Ų122164.2 Ų164.279%0.79283%0.829SS**  trans-116.8148.8140.435.5-28.9000111.2
302D33.5Very low37.4Very low160 Ų160160.8 Ų160.886%0.85683%0.827SS**  trans-90.4165.4-170.1-134.5-29000114
303S38.5Very low37.6Very low119 Ų119153.2 Ų153.283%0.83281%0.812SS**  trans75.3131.3164.999.20000120.1
304G31.5Very low37.6Very low80 Ų80152.4 Ų152.483%0.82582%0.816SS**  trans170.1114.3168.700000113
305M35.5Very low38.1Very low166 Ų166151.1 Ų151.182%0.81882%0.818SS**  trans-81.6143.6-167.5-80.6168.25000116.6
306R34.3Very low37.8Very low219 Ų219151 Ų15183%0.82682%0.817SS**  trans56.3123.1144.1-68.5-178.2175-141.1-0.7119.9
307R36.7Very low37.6Very low253 Ų253153 Ų15396%0.95582%0.823SS**  -155.9150.998.8-111.1-179.2-72.5-160.41.8111.6
308A34.2Very low37.4Very low94 Ų94154 Ų15478%0.77782%0.819SS**  trans-112.7134.3-176.100000110.9
309V37.1Very low37.1Very low131 Ų131148.7 Ų148.779%0.79481%0.807SS**  trans-144.3109.9157.9-178.70000109
310Q36.2Very low37Very low185 Ų185151.1 Ų151.186%0.86481%0.806SS**  trans47.6126.3147.4-55.6179.514.800121.8
311T35.8Very low37.1Very low123 Ų123148.7 Ų148.776%0.75580%0.797SS**  trans-70.3162.8163.6-140000111.6
312P40.4Very low36.8Very low126 Ų126154.2 Ų154.282%0.81880%0.802SS**  -132.1156.28719.11000114.6
313S38.5Very low37Very low88 Ų88152.5 Ų152.562%0.61579%0.793SS**  trans-78.4163.2-178.254.20000113.1
314P42.4Very low37Very low129 Ų129153.6 Ų153.684%0.83879%0.79SS**  -120.8136.8124.533.6-30.2000111.5
315Q39.9Very low37.9Very low183 Ų183157.7 Ų157.786%0.85579%0.785SS**  trans-77.5127.8177.6-59.9173.9-2.700110
316N34.9Very low38.3Very low149 Ų149155.9 Ų155.980%0.79778%0.778SS**  trans-143.890156.4-163.6-12.3000110.2
317K37.8Very low38.7Very low204 Ų204156.7 Ų156.789%0.88778%0.781SS**  trans-100.399.9170.5-72.6-176.7178-179.80108.6
318M40.2Very low38.7Very low141 Ų141151.8 Ų151.870%0.69577%0.774SS**  trans-97.685.5158.968.6106.678.400109Y320M318-Y320 HydrophobicContact CB-CE2 4.43Å; M318-Y320 HydrophobicContact CE-CD2 3.95Å; M318-Y320 HydrophobicContact CE-CE2 3.75Å; M318-Y320 PolarHBondContact O-N 3.44Å; M318-Y320 HydrophobicContact SD-CD2 3.87Å; M318-Y320 HydrophobicContact SD-CE2 4.22Å
319S32.1Very low39Very low87 Ų87151.3 Ų151.361%0.60877%0.77SS**  trans-8598.1169.6178.20000108.5H321S319-H321 PolarHBondContact O-N 3.2Å; S319-H321 PolarHBondContact OG-CD2 3.45Å
320Y34.2Very low39.1Very low206 Ų206154.1 Ų154.181%0.80878%0.775SS**  trans-84.495.1167.7-85.7-79.9000110M318 R322M318-Y320 HydrophobicContact CB-CE2 4.43Å; M318-Y320 HydrophobicContact CE-CD2 3.95Å; M318-Y320 HydrophobicContact CE-CE2 3.75Å; M318-Y320 PolarHBondContact O-N 3.44Å; M318-Y320 HydrophobicContact SD-CD2 3.87Å; M318-Y320 HydrophobicContact SD-CE2 4.22Å; Y320-R322 PolarHBondContact O-N 3.27Å
321H40.9Very low39.1Very low157 Ų157153.7 Ų153.773%0.72778%0.778SS**  trans-60.1127.6173.1-92.1-96.5000111.6S319 N323S319-H321 PolarHBondContact O-N 3.2Å; S319-H321 PolarHBondContact OG-CD2 3.45Å; H321-N323 PolarHBondContact O-N 3.24Å; H321-N323 VanDerWaalsContact O-N 3.16Å
322R37.3Very low39.1Very low238 Ų238152.5 Ų152.590%0.89878%0.781SS**  trans-49.4113.9160.6-176.9-173.8-162.4-123.37.5109.7Y320Y320-R322 PolarHBondContact O-N 3.27Å
323N38.8Very low39Very low125 Ų125151.8 Ų151.867%0.66878%0.779SS**  trans-125.793.3174.6-130.3-26.7000110.2H321 K325H321-N323 PolarHBondContact O-N 3.24Å; H321-N323 VanDerWaalsContact O-N 3.16Å; N323-K325 PolarHBondContact O-N 3.17Å
324N39.1Very low38.5Very low141 Ų141157.8 Ų157.875%0.75479%0.79SS**  trans-71.1114.5168.1174.913000108.3
325K50.8Low38.6Very low167 Ų167158.7 Ų158.773%0.72679%0.786SS**  trans-129.694.7168.5-70.2-166176.5-172.60110.4N323 R327N323-K325 PolarHBondContact O-N 3.17Å; K325-R327 PolarHBondContact O-N 3.35Å
326N42.5Very low38.3Very low127 Ų127157.6 Ų157.668%0.67978%0.78SS**  trans-35125.6148.1166.12.6000109.7N328N326-N328 PolarHBondContact OD1-N 3.15Å
327R42.8Very low38.4Very low236 Ų236155.8 Ų155.889%0.89177%0.774SS**  trans-137.164.4175.6-162.7-178.7-174.2-1760.8110.6K325 A329K325-R327 PolarHBondContact O-N 3.35Å; R327-A329 PolarHBondContact O-N 3.38Å
328N37.8Very low38.1Very low151 Ų151154 Ų15481%0.80777%0.769SS**  trans-77.5112.1164.1-71-7.5000109.8N326N326-N328 PolarHBondContact OD1-N 3.15Å
329A39.9Very low37.9Very low83 Ų83156.7 Ų156.769%0.68677%0.772SS**  trans-16397.6158.400000109R327R327-A329 PolarHBondContact O-N 3.38Å
330E38.3Very low38Very low190 Ų190159.8 Ų159.889%0.88878%0.781SS**  trans33.3112.8138.8-66.1156.9-156.100118.6
331N37.2Very low38Very low177 Ų177155 Ų15595%0.94779%0.785SS**  trans-143133.9144.8-119.3-41.7000110.2
332A35.1Very low37.8Very low97 Ų97153.9 Ų153.980%0.80279%0.788SS**PPolyproline II helixtrans-83.7144.7-161.200000113.7
333S37.8Very low37.8Very low112 Ų112154.2 Ų154.278%0.78379%0.79SS**PPolyproline II helixtrans-80.3119.7162430000110.3I335S333-I335 PolarHBondContact O-N 3.09Å
334Y29.7Very low37.7Very low214 Ų214154.1 Ų154.184%0.83979%0.794SS**PPolyproline II helixtrans-73.4118.6177.7177.8-96.3000110.7
335I42.8Very low37.3Very low147 Ų147153.9 Ų153.975%0.75480%0.797SS**  trans-122.3144.2172.1-66.3-69000109.7S333S333-I335 PolarHBondContact O-N 3.09Å
336H35.5Very low36.8Very low160 Ų160150 Ų15074%0.74180%0.797SS**  trans-69145.2-165.9-160.3-75.8000114.4
337V35.5Very low36.5Very low111 Ų111151 Ų15167%0.67380%0.801SS**  trans-77.3138.3176.1171.20000111.9
338Q32.6Very low36Very low168 Ų168147 Ų14779%0.78580%0.798SS**  trans-154.692144.4-163.4156.8-5.600114.8
339R36.3Very low35.8Very low196 Ų196144.3 Ų144.374%0.7480%0.796SS**  trans39.1111.9142.1-62-175.3178.994.72121.8
340D33.3Very low36.1Very low152 Ų152146.2 Ų146.281%0.81380%0.801SS**  48.2114.7117.5-49.3-43.1000121.8
341A34.9Very low37Very low106 Ų106142 Ų14288%0.87679%0.791SS**  trans-147.2120.5142.700000111.5
342V36.5Very low36.8Very low133 Ų133142.4 Ų142.481%0.80679%0.786SS**  trans-71.7137.9-174.5170.20000113.5
343R36.8Very low36.7Very low245 Ų245143 Ų14393%0.92578%0.784SS**  trans-166.5150.7130.2-109.2170.3-163.4172.46.8114.9
344T35.7Very low36.8Very low123 Ų123148.1 Ų148.176%0.75579%0.787SS**  trans-109.9174.1-171.833.50000113
345V30.9Very low37.6Very low136 Ų136144.1 Ų144.182%0.82479%0.787SS**  trans116.7121.5153-177.60000114.3
346A41.5Very low37.3Very low87 Ų87145 Ų14572%0.71979%0.79SS**  trans-92.2175.6174.300000111.3
347L36.2Very low37.2Very low148 Ų148146.6 Ų146.678%0.77580%0.797SS**  trans179.4133.9136.4-95.8164.8000112.8
348N32.1Very low37.1Very low152 Ų152144 Ų14481%0.81379%0.793SS**  trans78.6139.8149.5-56.5-25.2000123.7
349A33.9Very low37.1Very low93 Ų93142 Ų14277%0.76980%0.798SS**  trans-147.2-174165.500000106.5
350P45Very low36.9Very low123 Ų123142.9 Ų142.980%0.79980%0.803SS**  cis-130.8-127.7-1.335.5-8.9000113.1
351P58.1Low36.9Very low103 Ų103142 Ų14267%0.66980%0.798SS**  trans-122.9-153.5-134.139.1-15.2000115.5
352H31.8Very low37.1Very low184 Ų184146.6 Ų146.685%0.85280%0.798SS**  trans115.2148.1175.7-67-66.9000113.5
353S34Very low37Very low109 Ų109146 Ų14676%0.76280%0.795SS**  cis-165.5170.1-6.743.10000112.1
354R40.2Very low36.7Very low221 Ų221142.8 Ų142.883%0.83479%0.79SS**  trans-66.9173173.1-69.8-176.9178.5179.9-0.2114.3
355P45.5Very low36.8Very low130 Ų130141.1 Ų141.184%0.84478%0.779SS**  -138.6178.3118.737.4-24.4000115.8
356M37.6Very low36.9Very low166 Ų166141.4 Ų141.482%0.81878%0.776SS**  trans-152.4120.4-172174.4-177.5176.500112.8
357H33.5Very low36.6Very low192 Ų192146.3 Ų146.389%0.88978%0.781SS**  trans-179.1164.5161-125.3-97.8000110.6
358G31.9Very low36.7Very low57 Ų57146.8 Ų146.859%0.58878%0.779SS**  cis139.685.9-20.200000117.1
359S33.5Very low37.5Very low127 Ų127145.1 Ų145.189%0.88878%0.777SS**  trans-169.4-173163.862.10000114
360Y32.1Very low38Very low214 Ų214148.9 Ų148.984%0.83978%0.776SS**  trans-121.3159.4-139.8-97.4-94.5000119.3
361N33.2Very low37.9Very low133 Ų133148.7 Ų148.771%0.71177%0.774SS**  trans69.4117.3143.5-76.6-24.9000124.9
362K38.8Very low37.1Very low203 Ų203151 Ų15188%0.88378%0.782SS**  178.4110.4113.6-96.2179.6-177.5-177.60109.4
363V34.1Very low37.2Very low121 Ų121150.6 Ų150.673%0.73379%0.785SS**  55.299.989.7-175.40000115.4
364H31.4Very low37.2Very low177 Ų177150.1 Ų150.182%0.81978%0.781SS**  -149.7154.9120.9-147.2-87.7000111.5
365V37.9Very low37.7Very low88 Ų88144.9 Ų144.953%0.53378%0.776SS.*  trans-111.4150.9-168.4176.70000111K367V365-K367 HydrophobicContact CG1-CG 4.33Å
366N31.9Very low36.8Very low142 Ų142144.2 Ų144.276%0.75977%0.765SS**  trans160.790.9139.2-78.6-24.2000109.6
367K35.1Very low36.9Very low189 Ų189143.9 Ų143.982%0.82276%0.759SS**  68.498.988.5-74.7-166.8175.1-175.20115.4V365V365-K367 HydrophobicContact CG1-CG 4.33Å
368E39.4Very low36.8Very low158 Ų158146 Ų14674%0.73876%0.761SS**  trans-63.5159.3150.5-140.1-177.4176.900109.6
369P47.9Very low36.8Very low117 Ų117150.9 Ų150.976%0.7677%0.77SS**  -152.3159.889.738.9-20.8000117.1
370K44.1Very low36.8Very low172 Ų172150.3 Ų150.375%0.74877%0.766SS**  trans-69.3153.4159.5-69166.9178.1162.30111.9
371P44.8Very low36.9Very low119 Ų119146.4 Ų146.477%0.77377%0.765SS**  trans-125.6134.8143.934.1-23.1000112.7
372N40.3Very low37Very low153 Ų153145.2 Ų145.282%0.81877%0.767SS**  trans-84.9145.1157.1-59.8-67.6000108.2
373L34.4Very low36.8Very low175 Ų175145.4 Ų145.492%0.91676%0.763SS**  trans-167130.4154.6-103.9160.3000110.7
374S33.5Very low37.3Very low99 Ų99146.9 Ų146.969%0.69277%0.767SS**  trans-99.3178.6153.467.30000107.4
375P50.2Low37.4Very low110 Ų110145.7 Ų145.771%0.71477%0.767SS**  cis-139-1751441.1-20.4000115.6
376D27.8Very low37.6Very low116 Ų116147 Ų14762%0.6278%0.78SS**  145.6131.9118.7-140.235.5000116.3
377K38.4Very low38Very low159 Ų159144.8 Ų144.869%0.69178%0.782SS**  trans4.6134.6161.2-57.7169-157.791.10120.9
378Y31.5Very low38.2Very low238 Ų238145.1 Ų145.193%0.93378%0.778SS**  -149155.4115.6-129-94.9000111.7
379M32.9Very low38.3Very low159 Ų159149 Ų14978%0.78379%0.786SS**  trans-98.8150.5-167.3-61.3-104.278.200113.4
380S33.8Very low38.1Very low114 Ų114153.7 Ų153.780%0.79779%0.794SS**  -173.7108.1127.2-820000114.2
381T32.9Very low37.8Very low133 Ų133154.1 Ų154.182%0.81679%0.791SS**  trans12.2125.6139.3-11.90000120.7
382S34.9Very low38.1Very low107 Ų107156 Ų15675%0.74879%0.793SS**  176.4133.4109.843.50000115.3
383Y36.3Very low38.7Very low207 Ų207153.8 Ų153.881%0.81279%0.787SS**  trans37.2102.5151.9-75-91.8000121.6
384N43.2Very low39Very low152 Ų152154 Ų15481%0.81378%0.781SS**  179.6126.389.6-95.9-62.5000112.5
385D33.7Very low39.1Very low152 Ų152154 Ų15481%0.81378%0.781SS**  trans-78.5144.2169.7-81.3-59000112.1
386S41.7Very low38.7Very low116 Ų116158.1 Ų158.181%0.81179%0.788SS**  trans-168.557.8149.9-87.40000113.5W388S386-W388 PolarHBondContact O-N 2.94Å; S386-W388 VanDerWaalsContact O-N 3.12Å
387A40.9Very low39.2Very low96 Ų96158.7 Ų158.779%0.79380%0.795SS**  trans-82.574.6171.500000112.3
388W39.3Very low39.3Very low195 Ų195161.5 Ų161.574%0.73980%0.803SS**  trans-121.399.8178.8-75.880.3000114.1S386 K390S386-W388 PolarHBondContact O-N 2.94Å; S386-W388 VanDerWaalsContact O-N 3.12Å; W388-K390 PolarHBondContact O-N 3.49Å
389R41.3Very low39.9Very low240 Ų240155.5 Ų155.591%0.90680%0.796SS**  trans-51.8131.5161.2-66.2174.2175.3-119.10.5109.2R391R389-R391 PolarHBondContact O-N 3.43Å
390K44.6Very low40.3Very low215 Ų215157.9 Ų157.994%0.93580%0.802SS**  trans-59.8110.1177.5-73.7-175.3176.6179.80110.6W388W388-K390 PolarHBondContact O-N 3.49Å
391R37.9Very low41Very low182 Ų182157.6 Ų157.669%0.68780%0.8SS**  trans-84.2126.3172.2-168.6-176.5-63.2-161.8-0.6108.3R389R389-R391 PolarHBondContact O-N 3.43Å
392I50.8Low41.3Very low157 Ų157154.8 Ų154.881%0.80580%0.797SS**  trans-70.9128173.6-60168000108.4F394I392-F394 PolarHBondContact O-N 3.29Å
393P51.8Low41.8Very low108 Ų108158.7 Ų158.770%0.70180%0.801SS**  trans-87.2105.4178.231.4-30.2000112.7
394F40.8Very low42.1Very low179 Ų179156.4 Ų156.479%0.78580%0.801SS**  trans59.4125.3141.9-60.6-74.6000123I392I392-F394 PolarHBondContact O-N 3.29Å
395S36.7Very low41.9Very low100 Ų100159.3 Ų159.370%0.69980%0.802SS**  trans-51.3142.3159.850.40000115.4
396K41.7Very low42.7Very low196 Ų196157 Ų15785%0.85280%0.795SS**  trans-102.6112.2147.3-81-176.9176.2177.10109.6
397T38.8Very low42.8Very low128 Ų128159.7 Ų159.779%0.78580%0.795SS**  trans-68.9126.6162.343.90000109.5
398Y40.5Very low43.3Very low218 Ų218161 Ų16186%0.85580%0.796SS**  trans-121.9127.8159.3-109-88.5000110
399S43.1Very low43.6Very low111 Ų111162.5 Ų162.578%0.77680%0.801SS**  trans-70.9128.6-167.3-53.20000112S401S399-S401 PolarHBondContact O-N 3.33Å
400K41.4Very low43.8Very low209 Ų209162.4 Ų162.491%0.90980%0.801SS**  trans-71.294.5173-170.9176.6-174.8177.90109.4G402K400-G402 PolarHBondContact O-N 3.11Å; K400-G402 VanDerWaalsContact O-N 3.07Å
401S48.1Very low43.7Very low109 Ų109160.2 Ų160.276%0.76280%0.799SS**  trans-70.1101.7173.846.10000110.1S399 K403S399-S401 PolarHBondContact O-N 3.33Å; S401-K403 PolarHBondContact O-N 3.48Å; S401-K403 VanDerWaalsContact O-N 3.16Å
402G39.1Very low43.6Very low73 Ų73155 Ų15575%0.75380%0.802SS**  trans-66.7111.1172.700000110.5K400K400-G402 PolarHBondContact O-N 3.11Å; K400-G402 VanDerWaalsContact O-N 3.07Å
403K46.8Very low43.1Very low189 Ų189153 Ų15382%0.82280%0.803SS**  trans-101.5102157.9-72.9-162.6176.8-174.90108.7S401 Y405S401-K403 PolarHBondContact O-N 3.48Å; S401-K403 VanDerWaalsContact O-N 3.16Å; K403-Y405 PolarHBondContact O-N 3.27Å
404I42.2Very low42.4Very low160 Ų160161.1 Ų161.182%0.82183%0.827SS**  trans-60.5125.9162.9-62.6161.7000106.9
405Y39.3Very low42.5Very low212 Ų212160.3 Ų160.383%0.83183%0.829SS**  trans-128.9135.3157.4-110.4-92.9000107.9K403K403-Y405 PolarHBondContact O-N 3.27Å
406P50.2Low42.8Very low104 Ų104163.4 Ų163.468%0.67584%0.836SS**  trans-80.2148.7-164.629.6-33.5000113.4P408P406-P408 WeakPolarHBondContact O-CD 3.4Å
407E43.5Very low42.9Very low172 Ų172161.6 Ų161.680%0.80484%0.835SS**  trans-50120.5170.1-178177.9-139.100112.9R409E407-R409 PolarHBondContact O-N 3.32Å; E407-R409 VanDerWaalsContact O-N 3.16Å
408P51.1Low43.1Very low125 Ų125163.6 Ų163.681%0.81284%0.838SS**  trans-72106.9168.3-16.431.6000109.7P406P406-P408 WeakPolarHBondContact O-CD 3.4Å
409R45.1Very low43.3Very low226 Ų226160.2 Ų160.285%0.85384%0.837SS**  trans-52.6138.1176.8-76.5178.2162.5165.9-5.8111.9E407 N411E407-R409 PolarHBondContact O-N 3.32Å; E407-R409 VanDerWaalsContact O-N 3.16Å; R409-N411 PolarHBondContact O-N 3.28Å
410R47Very low43.3Very low237 Ų237163.5 Ų163.589%0.89484%0.841SS**  trans-59.8133.3156.6-77.2-178.2171.2179.8-2109.6
411N41Very low43.4Very low169 Ų169160.2 Ų160.290%0.90484%0.836SS**  trans155.7127.1159-80.2-16.4000105.4R409R409-N411 PolarHBondContact O-N 3.28Å
412G35.8Very low43.1Very low72 Ų72164.2 Ų164.274%0.74284%0.841SS**  cis166.3153.5-400000108.3
413S41.3Very low43.4Very low117 Ų117171.8 Ų171.882%0.81885%0.849SS**  trans40.4102.8161.8-167.90000119.6
414K37.7Very low43.1Very low278 Ų278170.2 Ų170.2100%1.20985%0.851SS**  -167.40109.3-103.9173-178.2179.40111.5

Retrieved 414 of 414 residues in 81.5 ms (Link to these results)