A0A087YMR0_POEFO Loading...

Myocyte enhancer factor 2aa

AlphaFold DB , UniProt , Accession A0A087YMR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 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
1M62.4Low91Very high223 Ų223149.7 Ų149.7100%1.09972%0.715SS**  0127.60-165.579.985.800108.8
2G84.9Confident91.6Very high65 Ų65150.2 Ų150.267%0.6772%0.719SS**  trans-81.5176.6179.400000114.3
3R89.9Confident92Very high261 Ų261144.1 Ų144.199%0.98569%0.693SS**PPolyproline II helixtrans-72.9123.7170.5-64.1-179.5-176.4175.22.7109.2
4K93.9Very high92.3Very high173 Ų173141.6 Ų141.675%0.75268%0.68SS**PPolyproline II helixtrans-97.9150.1171.6-67-173.5176-174.20110.7
5K94.1Very high92.5Very high211 Ų211139.7 Ų139.792%0.91766%0.663SS**PPolyproline II helixtrans-66.1141.1168-175.3176.8178.9-179.20108.8
6I94.6Very high92.7Very high90 Ų90137.2 Ų137.246%0.46266%0.655SS.*  trans-129.9155.2173.565.9170.5000109.7I11I6-I11 HydrophobicContact CD1-CD1 4.49Å
7Q95.9Very high93Very high155 Ų155131.6 Ų131.672%0.72463%0.626SS**  trans-70.8159.8172.8-65.2178.9-4.700111T9Q7-T9 HydrophobicContact CB-CG2 4.46Å; Q7-T9 PolarHBondContact O-N 2.98Å
8I95.9Very high93.1Very high146 Ų146129.7 Ų129.775%0.74962%0.616SS**SBendtrans-95.474176.3-52.9-57.3000108.6
9T96.5Very high93.3Very high97 Ų97124.4 Ų124.460%0.59559%0.593SS**SBendtrans-133.9171178.652.40000109.9Q7 I11Q7-T9 HydrophobicContact CB-CG2 4.46Å; Q7-T9 PolarHBondContact O-N 2.98Å; T9-I11 PolarHBondContact O-N 3.2Å
10R96.1Very high93.4Very high180 Ų180119.9 Ų119.968%0.67957%0.574SS**  trans-64.1118.7175.2-179176.4178.5166-0.6109.5M12R10-M12 PolarHBondContact O-N 2.95Å
11I97.1Very high93.6Very high46 Ų46116.3 Ų116.324%0.23656%0.556CS.*  trans-67.3116172.8-58.7173.8000107.8I6 T9 N16 R17 T20I6-I11 HydrophobicContact CD1-CD1 4.49Å; T9-I11 PolarHBondContact O-N 3.2Å; I11-N16 HydrophobicContact CG2-CB 4.11Å; I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.38Å; I11-R17 HydrophobicContact CG2-CB 4.01Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.41Å; I11-T20 HydrophobicContact CD1-CG2 3.75Å
12M97.2Very high95.3Very high155 Ų155106.9 Ų106.976%0.76451%0.511SS*.  trans-72.2-48.5-174.2-64.5-57.8-71.100112.6R10 E14 R17R10-M12 PolarHBondContact O-N 2.95Å; M12-E14 PolarHBondContact O-N 2.78Å; M12-R17 PolarHBondContact O-NH1 3.21Å
13D96.8Very high95.8Very high71 Ų71109.9 Ų109.938%0.3851%0.505SS..SBendtrans-60.5123.8174.6165.336.7000111.6R15 N16 R17D13-R15 PolarHBondContact O-N 3.38Å; D13-R15 PolarHBondContact OD1-N 3.46Å; D13-N16 HydrophobicContact CB-CB 4.45Å; D13-N16 WeakPolarHBondContact OD2-CB 3.38Å; D13-N16 VanDerWaalsContact OD2-CG 3.26Å; D13-N16 PolarHBondContact OD2-N 3.27Å; D13-N16 PolarHBondContact OD2-ND2 3.08Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3.41Å
14E96.4Very high96.1Very high109 Ų109103.8 Ų103.851%0.50948%0.482SS..Hα-helixtrans-59.4-42.9178.5-162.666.9-105.600112.3M12 R17 Q18M12-E14 PolarHBondContact O-N 2.78Å; E14-R17 PolarHBondContact O-N 3.29Å; E14-R17 IonicContact OE1-CZ 2.73Å; E14-R17 IonicContact OE1-NE 2.89Å; E14-R17 PolarHBondContact OE1-NE 2.8Å; E14-R17 IonicContact OE1-NH2 3.44Å; E14-R17 PolarHBondContact OE1-NH2 3.25Å; E14-R17 IonicContact OE2-CZ 2.62Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 2.97Å; E14-Q18 WeakPolarHBondContact O-CB 3.36Å; E14-Q18 PolarHBondContact O-N 2.88Å
15R96Very high96.3Very high114 Ų11496.8 Ų96.843%0.4345%0.452SS..Hα-helixtrans-67.8-50-174.1-172.3-176.7-67.7129.2-3.3110.6D13 R17 Q18 V19 Y149D13-R15 PolarHBondContact O-N 3.38Å; D13-R15 PolarHBondContact OD1-N 3.46Å; R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 PolarHBondContact O-N 3.44Å; R15-Q18 PolarHBondContact O-N 3.33Å; R15-V19 WeakPolarHBondContact O-CB 3.49Å; R15-V19 WeakPolarHBondContact O-CG2 3.24Å; R15-V19 PolarHBondContact O-N 3.27Å; R15-Y149 VanDerWaalsContact NH2-CB 3.28Å; R15-Y149 VanDerWaalsContact NH2-CG 3.32Å; R15-Y149 PolarHBondContact NH2-O 3.24Å
16N95.8Very high96.5Very high99 Ų9989.1 Ų89.153%0.52942%0.419SS..Hα-helixtrans-65.1-33.7173.8-80.1-63.2000112.2I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.11Å; D13-N16 HydrophobicContact CB-CB 4.45Å; D13-N16 WeakPolarHBondContact OD2-CB 3.38Å; D13-N16 VanDerWaalsContact OD2-CG 3.26Å; D13-N16 PolarHBondContact OD2-N 3.27Å; D13-N16 PolarHBondContact OD2-ND2 3.08Å; N16-T20 WeakPolarHBondContact O-CB 3.36Å; N16-T20 PolarHBondContact O-N 3.36Å; N16-T20 PolarHBondContact O-OG1 2.98Å
17R96.9Very high96.6Very high43 Ų4386.4 Ų86.416%0.16241%0.413CS..Hα-helixtrans-63.9-50.2174.7-176167.364.8-116.311111.4I11 M12 D13 E14 R15 T20 F21I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.38Å; I11-R17 HydrophobicContact CG2-CB 4.01Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.41Å; M12-R17 PolarHBondContact O-NH1 3.21Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 3.29Å; E14-R17 IonicContact OE1-CZ 2.73Å; E14-R17 IonicContact OE1-NE 2.89Å; E14-R17 PolarHBondContact OE1-NE 2.8Å; E14-R17 IonicContact OE1-NH2 3.44Å; E14-R17 PolarHBondContact OE1-NH2 3.25Å; E14-R17 IonicContact OE2-CZ 2.62Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 2.97Å; R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 PolarHBondContact O-N 3.44Å; R17-T20 PolarHBondContact O-N 3.18Å; R17-F21 WeakPolarHBondContact O-CB 3.28Å; R17-F21 PolarHBondContact O-N 3.24Å
18Q95.9Very high96.7Very high96 Ų9683.3 Ų83.345%0.44940%0.401SS..Hα-helixtrans-65.6-43.5-178.6179.261.7-4.900112.3E14 R15 T20 F21 T22E14-Q18 WeakPolarHBondContact O-CB 3.36Å; E14-Q18 PolarHBondContact O-N 2.88Å; R15-Q18 PolarHBondContact O-N 3.33Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.43Å; Q18-F21 PolarHBondContact O-N 3.03Å; Q18-T22 PolarHBondContact O-N 3.34Å; Q18-T22 PolarHBondContact O-OG1 2.74Å; Q18-T22 VanDerWaalsContact O-OG1 3.09Å
19V96.3Very high96.9Very high30 Ų3076.9 Ų76.918%0.18237%0.368CS..Hα-helixtrans-63.7-39.3174.4171.50000111.2R15 K23 Y159R15-V19 WeakPolarHBondContact O-CB 3.49Å; R15-V19 WeakPolarHBondContact O-CG2 3.24Å; R15-V19 PolarHBondContact O-N 3.27Å; V19-K23 HydrophobicContact CG1-CD 3.82Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.32Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.42Å; V19-K23 PolarHBondContact O-N 2.84Å; V19-Y159 HydrophobicContact CG2-CE2 4.38Å
20T96.3Very high96.9Very high33 Ų3376.5 Ų76.520%0.20236%0.358CS..Hα-helixtrans-70.6-39.4177.2-60.50000112.1I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.75Å; N16-T20 WeakPolarHBondContact O-CB 3.36Å; N16-T20 PolarHBondContact O-N 3.36Å; N16-T20 PolarHBondContact O-OG1 2.98Å; R17-T20 PolarHBondContact O-N 3.18Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.43Å; T20-K23 PolarHBondContact O-N 3.39Å; T20-R24 HydrophobicContact CG2-CG 4.04Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.21Å; T20-R24 WeakPolarHBondContact O-CG 3.47Å; T20-R24 PolarHBondContact O-N 3.45Å
21F97.4Very high97.1Very high46 Ų4674.2 Ų74.220%0.20235%0.353CS..Hα-helixtrans-59-55.3175.6175.1-100.1000110.6R17 Q18 K23 R24 K25 I47 N49 F55R17-F21 WeakPolarHBondContact O-CB 3.28Å; R17-F21 PolarHBondContact O-N 3.24Å; Q18-F21 PolarHBondContact O-N 3.03Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 2.88Å; F21-R24 PolarHBondContact O-N 3.36Å; F21-K25 HydrophobicContact CE1-CD 4.21Å; F21-K25 HydrophobicContact CZ-CD 4.3Å; F21-K25 WeakPolarHBondContact O-CB 2.86Å; F21-K25 PolarHBondContact O-N 3.29Å; F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.3Å; F21-N49 HydrophobicContact CZ-CB 3.97Å; F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.98Å; F21-F55 HydrophobicContact CE1-CZ 3.98Å; F21-F55 AromaticContact CZ-CD2 3.79Å; F21-F55 HydrophobicContact CZ-CD2 3.79Å; F21-F55 AromaticContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CG 4.47Å
22T96.4Very high97.1Very high24 Ų2472.6 Ų72.615%0.14735%0.347CS..Hα-helixtrans-52.9-48.6178.4-590000111.5Q18 F26Q18-T22 PolarHBondContact O-N 3.34Å; Q18-T22 PolarHBondContact O-OG1 2.74Å; Q18-T22 VanDerWaalsContact O-OG1 3.09Å; T22-F26 WeakPolarHBondContact O-CB 3.47Å; T22-F26 PolarHBondContact O-N 3.03Å; T22-F26 VanDerWaalsContact O-N 3.11Å
23K95.9Very high97.1Very high128 Ų12867.8 Ų67.856%0.55732%0.321SS*.Hα-helixtrans-69.5-37.4-178.9-69.716664.6-179.10113.6V19 T20 F21 G27 Y159V19-K23 HydrophobicContact CG1-CD 3.82Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.32Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.42Å; V19-K23 PolarHBondContact O-N 2.84Å; T20-K23 PolarHBondContact O-N 3.39Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 2.88Å; K23-G27 PolarHBondContact O-N 3.49Å; K23-Y159 HydrophobicContact CD-CE1 4.41Å
24R97.7Very high97.2Very high133 Ų13367.1 Ų67.150%0.50232%0.315SS..Hα-helixtrans-75.7-40.6177.9-75.5-172.3175.5-168.4-2.5112.1T20 F21 F26 G27 L28T20-R24 HydrophobicContact CG2-CG 4.04Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.21Å; T20-R24 WeakPolarHBondContact O-CG 3.47Å; T20-R24 PolarHBondContact O-N 3.45Å; F21-R24 PolarHBondContact O-N 3.36Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 3.44Å; R24-G27 PolarHBondContact O-N 2.85Å; R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 3.44Å
25K97.8Very high97.3Very high26 Ų2666.3 Ų66.311%0.11331%0.314CS..Hα-helixtrans-53.6-51.7171.8-175.5-165.174.973.40110.3F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 4.21Å; F21-K25 HydrophobicContact CZ-CD 4.3Å; F21-K25 WeakPolarHBondContact O-CB 2.86Å; F21-K25 PolarHBondContact O-N 3.29Å; K25-L28 PolarHBondContact O-N 3.15Å; K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.31Å; K25-M29 HydrophobicContact CG-CE 3.87Å; K25-M29 HydrophobicContact CG-SD 3.86Å; K25-M29 PolarHBondContact NZ-SD 3.24Å; K25-M29 WeakPolarHBondContact O-CB 3.46Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.46Å; K25-I47 HydrophobicContact CG-CD1 4.08Å; K25-F55 HydrophobicContact CD-CB 3.91Å; K25-F55 HydrophobicContact CD-CD1 3.8Å; K25-F55 HydrophobicContact CD-CE1 4.48Å; K25-F55 HydrophobicContact CD-CG 3.88Å
26F96.7Very high97.4Very high50 Ų5061.4 Ų61.422%0.21930%0.297CS..Hα-helixtrans-58.3-50.5176.1-172.5-75.8000112.1T22 R24 L28 M29 K30 I162 F166T22-F26 WeakPolarHBondContact O-CB 3.47Å; T22-F26 PolarHBondContact O-N 3.03Å; T22-F26 VanDerWaalsContact O-N 3.11Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 3.44Å; F26-L28 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 3.11Å; F26-M29 PolarHBondContact O-N 2.86Å; F26-K30 PolarHBondContact O-N 3.33Å; F26-I162 HydrophobicContact CD2-CG2 3.93Å; F26-I162 HydrophobicContact CE2-CG2 3.52Å; F26-I162 WeakPolarHBondContact CE2-O 3.49Å; F26-I162 HydrophobicContact CZ-CG2 4.03Å; F26-F166 HydrophobicContact CD2-CB 4.3Å; F26-F166 HydrophobicContact CD2-CG 4.39Å; F26-F166 HydrophobicContact CE1-CD2 4.19Å; F26-F166 HydrophobicContact CE2-CB 3.35Å; F26-F166 AromaticContact CE2-CD2 3.91Å; F26-F166 HydrophobicContact CE2-CD2 3.91Å; F26-F166 AromaticContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CZ-CB 3.75Å; F26-F166 AromaticContact CZ-CD2 3.63Å; F26-F166 HydrophobicContact CZ-CD2 3.63Å; F26-F166 AromaticContact CZ-CG 3.93Å; F26-F166 HydrophobicContact CZ-CG 3.93Å
27G98.3Very high97.5Very high34 Ų3461 Ų6135%0.35130%0.298SS..Hα-helixtrans-59.8-38.6179.100000113.2K23 R24 K31K23-G27 PolarHBondContact O-N 3.49Å; R24-G27 PolarHBondContact O-N 2.85Å; G27-K31 WeakPolarHBondContact O-CG 3.35Å; G27-K31 PolarHBondContact O-N 3.32Å; G27-K31 VanDerWaalsContact O-N 3.13Å
28L98.4Very high97.6Very high90 Ų9065.8 Ų65.847%0.47133%0.326SS..Hα-helixtrans-69.8-44.2176.8-174.961.5000111.9R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 3.44Å; K25-L28 PolarHBondContact O-N 3.15Å; F26-L28 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 2.65Å; L28-K31 PolarHBondContact O-N 3.13Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 2.91Å; L28-L45 HydrophobicContact CD2-CD1 4.07Å; L28-L45 HydrophobicContact CD2-CD2 4.04Å; L28-L45 HydrophobicContact CG-CD2 3.89Å; L28-I47 HydrophobicContact CD2-CD1 4.31Å
29M98.3Very high97.7Very high11 Ų1164.9 Ų64.95%0.05433%0.329CS..Hα-helixtrans-60.5-41.6174.7-72.6168.716500111.9K25 F26 K31 A32 Y33 L45 F55 Y57 F166K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.31Å; K25-M29 HydrophobicContact CG-CE 3.87Å; K25-M29 HydrophobicContact CG-SD 3.86Å; K25-M29 PolarHBondContact NZ-SD 3.24Å; K25-M29 WeakPolarHBondContact O-CB 3.46Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.46Å; F26-M29 PolarHBondContact O-N 2.86Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.78Å; M29-A32 PolarHBondContact O-N 2.92Å; M29-Y33 PolarHBondContact O-N 2.8Å; M29-L45 HydrophobicContact CG-CD2 4.07Å; M29-F55 HydrophobicContact CE-CB 4.47Å; M29-Y57 HydrophobicContact CB-CD2 4.37Å; M29-Y57 HydrophobicContact CG-CD2 4.48Å; M29-Y57 HydrophobicContact CG-CG 4.4Å; M29-F166 HydrophobicContact CB-CE1 4.31Å; M29-F166 HydrophobicContact CB-CZ 4.2Å
30K98.3Very high97.7Very high89 Ų8971.1 Ų71.139%0.38736%0.362SS..Hα-helixtrans-62.3-36.9173.5-166.5-175.8-172.1-580112F26 L28 Y33 E34 F166F26-K30 PolarHBondContact O-N 3.33Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 2.65Å; K30-Y33 PolarHBondContact O-N 3.33Å; K30-E34 IonicContact NZ-OE1 2.86Å; K30-E34 PolarHBondContact NZ-OE1 3.24Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.33Å; K30-E34 PolarHBondContact O-N 2.86Å; K30-F166 HydrophobicContact CB-CE2 4.19Å; K30-F166 HydrophobicContact CG-CE2 4.44Å
31K98.5Very high97.7Very high131 Ų13172.1 Ų72.157%0.5737%0.369SS*.Hα-helixtrans-71.9-36.2176.4-71.8-145.2148.2-64.30113.7G27 L28 M29 Y33 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.35Å; G27-K31 PolarHBondContact O-N 3.32Å; G27-K31 VanDerWaalsContact O-N 3.13Å; L28-K31 PolarHBondContact O-N 3.13Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.78Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; K31-E34 IonicContact NZ-OE2 2.72Å; K31-E34 PolarHBondContact NZ-OE2 2.61Å; K31-L35 WeakPolarHBondContact O-CB 3.21Å; K31-L35 PolarHBondContact O-N 3.02Å
32A98.3Very high97.7Very high12 Ų1274.2 Ų74.210%0.09938%0.379CS..Hα-helixtrans-61.9-44.1170.800000110.7L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 2.91Å; M29-A32 PolarHBondContact O-N 2.92Å; A32-L35 PolarHBondContact O-N 2.88Å; A32-S36 WeakPolarHBondContact O-CB 3.43Å; A32-S36 PolarHBondContact O-N 2.99Å; A32-S36 PolarHBondContact O-OG 2.81Å; A32-I43 HydrophobicContact CB-CG2 4.1Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.59Å
33Y97.9Very high97.7Very high55 Ų5574.7 Ų74.722%0.21638%0.381CS..Hα-helixtrans-60.4-53.1173.3178.6-99.7000112.7M29 K30 K31 L35 S36 V37 Y57 M170M29-Y33 PolarHBondContact O-N 2.8Å; K30-Y33 PolarHBondContact O-N 3.33Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.49Å; Y33-S36 WeakPolarHBondContact CA-OG 3.47Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.87Å; Y33-V37 HydrophobicContact CD2-CG2 4.22Å; Y33-V37 HydrophobicContact CE1-CG2 4.27Å; Y33-V37 HydrophobicContact CE2-CG2 3.82Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.69Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.47Å; Y33-Y57 PolarHBondContact N-OH 3.48Å; Y33-M170 HydrophobicContact CD2-CE 4.06Å; Y33-M170 HydrophobicContact CD2-SD 3.82Å; Y33-M170 HydrophobicContact CE2-SD 4.29Å; Y33-M170 HydrophobicContact CG-SD 4.25Å
34E98.4Very high97.8Very high57 Ų5770.5 Ų70.527%0.26637%0.37SS..Hα-helixtrans-49.6-48.7175-75.7164.2-175.800111.6K30 K31 L38K30-E34 IonicContact NZ-OE1 2.86Å; K30-E34 PolarHBondContact NZ-OE1 3.24Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.33Å; K30-E34 PolarHBondContact O-N 2.86Å; K31-E34 IonicContact NZ-OE2 2.72Å; K31-E34 PolarHBondContact NZ-OE2 2.61Å; E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.18Å; E34-L38 WeakPolarHBondContact O-CD1 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.89Å
35L98.4Very high97.8Very high92 Ų9265.7 Ų65.748%0.48235%0.354SS..Hα-helixtrans-67.9-43.3-179.1-175.960.9000112.7K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.21Å; K31-L35 PolarHBondContact O-N 3.02Å; A32-L35 PolarHBondContact O-N 2.88Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.49Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.21Å; L35-L38 PolarHBondContact O-N 3.07Å; L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 WeakPolarHBondContact O-CB 3.28Å; L35-C39 PolarHBondContact O-N 3.09Å; L35-C39 VanDerWaalsContact O-N 3.09Å; L35-I43 HydrophobicContact CB-CD1 3.99Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.91Å
36S97.9Very high97.9Very high10 Ų1068.4 Ų68.47%0.0737%0.369CS..Hα-helixtrans-60.9-38.7178.6610000112.9A32 Y33 D40 C41 S59A32-S36 WeakPolarHBondContact O-CB 3.43Å; A32-S36 PolarHBondContact O-N 2.99Å; A32-S36 PolarHBondContact O-OG 2.81Å; Y33-S36 WeakPolarHBondContact CA-OG 3.47Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.87Å; S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.14Å; S36-D40 VanDerWaalsContact O-N 3.14Å; S36-C41 WeakPolarHBondContact CA-O 3.22Å; S36-C41 WeakPolarHBondContact CB-O 3.5Å; S36-C41 PolarHBondContact O-N 3.28Å; S36-S59 WeakPolarHBondContact OG-CB 3.29Å
37V97.5Very high97.9Very high92 Ų9267.5 Ų67.556%0.55837%0.366SS*.Hα-helixtrans-79.5-37.7180176.20000112.3Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.22Å; Y33-V37 HydrophobicContact CE1-CG2 4.27Å; Y33-V37 HydrophobicContact CE2-CG2 3.82Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.69Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.21Å
38L98.5Very high97.9Very high143 Ų14372 Ų7275%0.74938%0.376SS*.Hα-helixtrans-76.7-22.1-177.9-70.9170.7000113.8E34 L35E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.18Å; E34-L38 WeakPolarHBondContact O-CD1 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.07Å
39C98.3Very high97.7Very high76 Ų7669.1 Ų69.151%0.51436%0.361SS..THydrogen-bonded Turntrans-126.911-174.2-59.20000113.8L35 C41L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 WeakPolarHBondContact O-CB 3.28Å; L35-C39 PolarHBondContact O-N 3.09Å; L35-C39 VanDerWaalsContact O-N 3.09Å; C39-C41 VanDerWaalsContact C-N 3.3Å; C39-C41 PolarHBondContact O-N 3.46Å; C39-C41 PolarHBondContact O-SG 3.39Å
40D97.1Very high97.5Very high162 Ų16272.8 Ų72.887%0.86639%0.388SS*.THydrogen-bonded Turntrans4848.1-176-158.324.7000113.3S36S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.14Å; S36-D40 VanDerWaalsContact O-N 3.14Å
41C95.9Very high97.3Very high53 Ų5373 Ų7336%0.35840%0.401SS..  trans-108.2128.8-170.5-740000112.5S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.22Å; S36-C41 WeakPolarHBondContact CB-O 3.5Å; S36-C41 PolarHBondContact O-N 3.28Å; C39-C41 VanDerWaalsContact C-N 3.3Å; C39-C41 PolarHBondContact O-N 3.46Å; C39-C41 PolarHBondContact O-SG 3.39Å; C41-I43 HydrophobicContact CB-CD1 4.34Å; C41-I43 HydrophobicContact CB-CG1 4.26Å; C41-I43 PolarHBondContact O-N 3.17Å; C41-S59 PolarHBondContact O-OG 3.32Å
42E96.7Very high97.2Very high90 Ų9073.2 Ų73.242%0.42141%0.408SS..  trans-74.4122.6167.9-67.2-170.9120.800110.3V65 K68E42-V65 HydrophobicContact CB-CG2 4.18Å; E42-K68 WeakPolarHBondContact OE2-CD 3.44Å; E42-K68 IonicContact OE2-NZ 3.15Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å
43I97.6Very high97.1Very high34 Ų3478.8 Ų78.817%0.17443%0.43CS..  trans-134.9121.5-175.6-60.5175.8000108.9A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.1Å; L35-I43 HydrophobicContact CB-CD1 3.99Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.91Å; C41-I43 HydrophobicContact CB-CD1 4.34Å; C41-I43 HydrophobicContact CB-CG1 4.26Å; C41-I43 PolarHBondContact O-N 3.17Å; I43-A58 CarbonylContact O-C 3.57Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.27Å; I43-S59 PolarHBondContact N-OG 3.09Å; I43-S59 PolarHBondContact O-N 3.06Å
44A97.9Very high97.1Very high40 Ų4079.7 Ų79.733%0.33144%0.438SS..EExtended strand (participates in β ladder)trans-103.4143.8163.400000110.3M62 V65A44-M62 HydrophobicContact CB-CE 4.46Å; A44-M62 HydrophobicContact CB-SD 3.9Å; A44-V65 HydrophobicContact CB-CB 4.18Å; A44-V65 HydrophobicContact CB-CG1 3.61Å
45L98.1Very high97.1Very high33 Ų3379.4 Ų79.417%0.17344%0.436CS..EExtended strand (participates in β ladder)trans-139.6118.5178.7171.263.7000109L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.07Å; L28-L45 HydrophobicContact CD2-CD2 4.04Å; L28-L45 HydrophobicContact CG-CD2 3.89Å; M29-L45 HydrophobicContact CG-CD2 4.07Å; L45-I47 HydrophobicContact CD1-CD1 4.22Å; L45-I47 HydrophobicContact CD1-CG1 4.05Å; L45-I47 HydrophobicContact CD2-CD1 4.19Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.21Å; L45-Q56 CarbonylContact O-C 3.53Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.36Å; L45-Y57 HydrophobicContact CB-CD1 4.24Å; L45-Y57 PolarHBondContact N-O 3.28Å; L45-Y57 PolarHBondContact O-N 2.9Å
46I98.1Very high97Very high83 Ų8379.9 Ų79.943%0.42644%0.436SS..EExtended strand (participates in β ladder)trans-116.5128.9-179.1-67.9174.7000108.5F48 L54 M62 L66I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 HydrophobicContact CG2-CE2 3.61Å; I46-F48 HydrophobicContact CG2-CZ 4.31Å; I46-L54 HydrophobicContact CG2-CD1 3.8Å; I46-M62 HydrophobicContact CD1-SD 4.44Å; I46-M62 HydrophobicContact CG1-CE 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.42Å; I46-L66 HydrophobicContact CD1-CD2 4.23Å
47I98.3Very high97Very high30 Ų3080 Ų8015%0.15444%0.435CS..EExtended strand (participates in β ladder)trans-135.6114.2-178.7-57.1171.5000108.9F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; K25-I47 HydrophobicContact CG-CD1 4.08Å; L28-I47 HydrophobicContact CD2-CD1 4.31Å; L45-I47 HydrophobicContact CD1-CD1 4.22Å; L45-I47 HydrophobicContact CD1-CG1 4.05Å; L45-I47 HydrophobicContact CD2-CD1 4.19Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.21Å; I47-F55 HydrophobicContact CB-CB 4.46Å; I47-F55 PolarHBondContact N-O 3.17Å; I47-F55 PolarHBondContact O-N 3.43Å
48F98Very high97Very high129 Ų12976.6 Ų76.657%0.56642%0.416SS*.EExtended strand (participates in β ladder)trans-91.6137.4164.4-64.4-84.5000109.6I46 L54I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 HydrophobicContact CG2-CE2 3.61Å; I46-F48 HydrophobicContact CG2-CZ 4.31Å; F48-L54 HydrophobicContact CD1-CB 4.19Å; F48-L54 HydrophobicContact CD1-CD1 4.42Å; F48-L54 HydrophobicContact CE1-CB 3.88Å; F48-L54 HydrophobicContact CE1-CD1 3.97Å; F48-L54 HydrophobicContact CE1-CG 4.38Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å
49N94.8Very high96.9Very high29 Ų2971.3 Ų71.316%0.15539%0.391CS..  trans-86.5176.9168.684.5-22.1000111.2F21 S51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.3Å; F21-N49 HydrophobicContact CZ-CB 3.97Å; N49-S51 PolarHBondContact ND2-OG 3.03Å; N49-S51 PolarHBondContact O-N 3.22Å; N49-S51 VanDerWaalsContact OD1-C 3.32Å; N49-S51 WeakPolarHBondContact OD1-CA 3.44Å; N49-S51 WeakPolarHBondContact OD1-CB 3.43Å; N49-S51 PolarHBondContact OD1-N 3.35Å; N49-N52 PolarHBondContact O-N 3.35Å; N49-N52 PolarHBondContact OD1-N 3.36Å; N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 VanDerWaalsContact N-O 3.1Å; N49-K53 WeakPolarHBondContact OD1-CB 3.08Å; N49-K53 PolarHBondContact OD1-N 3.28Å; N49-F55 HydrophobicContact CB-CE2 4.15Å
50S93.7Very high96.7Very high89 Ų8970.7 Ų70.762%0.62239%0.385SS*.THydrogen-bonded Turntrans-66.71.8176.2530000115.3
51S94.4Very high96.7Very high92 Ų9265.8 Ų65.864%0.64336%0.359SS*.THydrogen-bonded Turntrans-111.214.9173.1-40.50000111.3N49 K53N49-S51 PolarHBondContact ND2-OG 3.03Å; N49-S51 PolarHBondContact O-N 3.22Å; N49-S51 VanDerWaalsContact OD1-C 3.32Å; N49-S51 WeakPolarHBondContact OD1-CA 3.44Å; N49-S51 WeakPolarHBondContact OD1-CB 3.43Å; N49-S51 PolarHBondContact OD1-N 3.35Å; S51-K53 PolarHBondContact O-N 3.42Å
52N95.4Very high96.7Very high137 Ų13764 Ų6473%0.73335%0.346SS*.  trans5616.6-173.8-58.7-18.9000115N49 L54N49-N52 PolarHBondContact O-N 3.35Å; N49-N52 PolarHBondContact OD1-N 3.36Å; N52-L54 PolarHBondContact O-N 2.98Å
53K97.3Very high96.7Very high129 Ų12965.5 Ų65.556%0.56136%0.356SS*.  trans-74.3120.3173.5-177169.3-179.6167.40109.6N49 S51 F55N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 VanDerWaalsContact N-O 3.1Å; N49-K53 WeakPolarHBondContact OD1-CB 3.08Å; N49-K53 PolarHBondContact OD1-N 3.28Å; S51-K53 PolarHBondContact O-N 3.42Å; K53-F55 HydrophobicContact CB-CE2 4.08Å; K53-F55 HydrophobicContact CD-CE2 4.12Å; K53-F55 HydrophobicContact CD-CZ 3.8Å; K53-F55 HydrophobicContact CG-CD2 4.46Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 4.02Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å
54L97.5Very high96.6Very high73 Ų7370.6 Ų70.638%0.38238%0.377SS..EExtended strand (participates in β ladder)trans-69.9135.2173.2178.257.3000111.3I46 F48 N52 Q56I46-L54 HydrophobicContact CG2-CD1 3.8Å; F48-L54 HydrophobicContact CD1-CB 4.19Å; F48-L54 HydrophobicContact CD1-CD1 4.42Å; F48-L54 HydrophobicContact CE1-CB 3.88Å; F48-L54 HydrophobicContact CE1-CD1 3.97Å; F48-L54 HydrophobicContact CE1-CG 4.38Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å; N52-L54 PolarHBondContact O-N 2.98Å; L54-Q56 HydrophobicContact CD1-CB 4.33Å
55F97.8Very high96.5Very high51 Ų5169.6 Ų69.622%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-130.6128.6163-58.7-96.6000107.6F21 K25 M29 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.98Å; F21-F55 HydrophobicContact CE1-CZ 3.98Å; F21-F55 AromaticContact CZ-CD2 3.79Å; F21-F55 HydrophobicContact CZ-CD2 3.79Å; F21-F55 AromaticContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CG 4.47Å; K25-F55 HydrophobicContact CD-CB 3.91Å; K25-F55 HydrophobicContact CD-CD1 3.8Å; K25-F55 HydrophobicContact CD-CE1 4.48Å; K25-F55 HydrophobicContact CD-CG 3.88Å; M29-F55 HydrophobicContact CE-CB 4.47Å; I47-F55 HydrophobicContact CB-CB 4.46Å; I47-F55 PolarHBondContact N-O 3.17Å; I47-F55 PolarHBondContact O-N 3.43Å; N49-F55 HydrophobicContact CB-CE2 4.15Å; K53-F55 HydrophobicContact CB-CE2 4.08Å; K53-F55 HydrophobicContact CD-CE2 4.12Å; K53-F55 HydrophobicContact CD-CZ 3.8Å; K53-F55 HydrophobicContact CG-CD2 4.46Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 4.02Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å
56Q97.3Very high96.4Very high102 Ų10271.2 Ų71.248%0.47738%0.376SS..EExtended strand (participates in β ladder)trans-132.5158.2-173.280.3-164.66000112.4L45 L54 M62L45-Q56 CarbonylContact O-C 3.53Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.36Å; L54-Q56 HydrophobicContact CD1-CB 4.33Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.89Å
57Y97.8Very high96.3Very high14 Ų1472.1 Ų72.16%0.05538%0.381CS..EExtended strand (participates in β ladder)trans-145.6140.2173.2164.8-80.5000108.7M29 A32 Y33 L45 S59 M62 M170M29-Y57 HydrophobicContact CB-CD2 4.37Å; M29-Y57 HydrophobicContact CG-CD2 4.48Å; M29-Y57 HydrophobicContact CG-CG 4.4Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.59Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.47Å; Y33-Y57 PolarHBondContact N-OH 3.48Å; L45-Y57 HydrophobicContact CB-CD1 4.24Å; L45-Y57 PolarHBondContact N-O 3.28Å; L45-Y57 PolarHBondContact O-N 2.9Å; Y57-S59 WeakPolarHBondContact OH-CA 3.48Å; Y57-M62 WeakPolarHBondContact O-CE 3.21Å; Y57-M170 HydrophobicContact CD2-CE 4.4Å; Y57-M170 HydrophobicContact CE2-CE 3.62Å; Y57-M170 HydrophobicContact CE2-SD 4.1Å
58A97.8Very high96.1Very high19 Ų1974.9 Ų74.916%0.15739%0.391CS..EExtended strand (participates in β ladder)trans-134145.4164.600000108.8I43 M62I43-A58 CarbonylContact O-C 3.57Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.27Å; A58-M62 HydrophobicContact CB-CB 4.33Å; A58-M62 HydrophobicContact CB-CE 4.07Å
59S96.2Very high95.9Very high32 Ų3276.3 Ų76.322%0.22439%0.394CS..SBendtrans-69.7-35.2174.755.10000112.3S36 C41 I43 Y57S36-S59 WeakPolarHBondContact OG-CB 3.29Å; C41-S59 PolarHBondContact O-OG 3.32Å; I43-S59 PolarHBondContact N-OG 3.09Å; I43-S59 PolarHBondContact O-N 3.06Å; Y57-S59 WeakPolarHBondContact OH-CA 3.48Å
60T94.2Very high95.8Very high63 Ų6380 Ų8039%0.38742%0.418SS..SBendtrans-110.3-79.6177.252.10000111.4K174T60-K174 PolarHBondContact O-NZ 3.24Å
61D95.4Very high95.7Very high60 Ų6081.7 Ų81.732%0.32142%0.416SS..  trans-149.6138.9-177.1-173.2-92.9000109.9D63 K64 V65D61-D63 PolarHBondContact OD1-N 2.94Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D61-K64 HydrophobicContact CB-CB 4.22Å; D61-K64 HydrophobicContact CB-CD 4.02Å; D61-K64 HydrophobicContact CB-CG 4.06Å; D61-K64 PolarHBondContact OD1-N 3.02Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 3.12Å
62M97.3Very high95.4Very high16 Ų1684.8 Ų84.88%0.07942%0.415CS..Hα-helixtrans-69.7-46-172.9-176.662.46600111.7A44 I46 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-CE 4.46Å; A44-M62 HydrophobicContact CB-SD 3.9Å; I46-M62 HydrophobicContact CD1-SD 4.44Å; I46-M62 HydrophobicContact CG1-CE 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.42Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.89Å; Y57-M62 WeakPolarHBondContact O-CE 3.21Å; A58-M62 HydrophobicContact CB-CB 4.33Å; A58-M62 HydrophobicContact CB-CE 4.07Å; M62-K64 VanDerWaalsContact C-N 3.3Å; M62-K64 PolarHBondContact O-N 2.85Å; M62-V65 PolarHBondContact O-N 3.15Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.24Å; M62-L66 WeakPolarHBondContact O-CB 3.48Å; M62-L66 WeakPolarHBondContact O-CG 3.47Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.97Å; M62-L66 HydrophobicContact SD-CG 4.04Å
63D96.4Very high94.3Very high120 Ų12086.4 Ų86.464%0.64242%0.423SS*.Hα-helixtrans-71.5-33.1-170.5-56.7-26.1000110.1D61 L67D61-D63 PolarHBondContact OD1-N 2.94Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 2.89Å
64K95.7Very high93.7Very high142 Ų14288 Ų8862%0.61743%0.433SS*.Hα-helixtrans-63.8-46.1171.2-64.4-173.5-176.9-176.60113.2D61 M62 L66 L67 K68D61-K64 HydrophobicContact CB-CB 4.22Å; D61-K64 HydrophobicContact CB-CD 4.02Å; D61-K64 HydrophobicContact CB-CG 4.06Å; D61-K64 PolarHBondContact OD1-N 3.02Å; M62-K64 VanDerWaalsContact C-N 3.3Å; M62-K64 PolarHBondContact O-N 2.85Å; K64-L66 VanDerWaalsContact C-N 3.35Å; K64-L67 PolarHBondContact O-N 3.41Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 2.85Å
65V95.9Very high93.4Very high19 Ų1987.7 Ų87.712%0.11544%0.435CS..Hα-helixtrans-70.9-34-179.1178.70000110.9E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.18Å; A44-V65 HydrophobicContact CB-CB 4.18Å; A44-V65 HydrophobicContact CB-CG1 3.61Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 3.12Å; M62-V65 PolarHBondContact O-N 3.15Å; V65-Y69 WeakPolarHBondContact O-CB 3.36Å; V65-Y69 PolarHBondContact O-N 2.99Å
66L95.9Very high93Very high67 Ų6794.7 Ų94.735%0.35147%0.468SS..Hα-helixtrans-70.6-41.9173.4-69.6177.7000112.8I46 M62 K64 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.23Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.24Å; M62-L66 WeakPolarHBondContact O-CB 3.48Å; M62-L66 WeakPolarHBondContact O-CG 3.47Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.97Å; M62-L66 HydrophobicContact SD-CG 4.04Å; K64-L66 VanDerWaalsContact C-N 3.35Å; L66-Y69 WeakPolarHBondContact O-CB 3.5Å; L66-Y69 PolarHBondContact O-N 2.99Å; L66-T70 PolarHBondContact O-N 3.34Å; L66-T70 PolarHBondContact O-OG1 2.89Å
67L95.2Very high92.8Very high101 Ų10195.5 Ų95.553%0.52947%0.472SS..Hα-helixtrans-59.5-49.9174.4177.361.9000110.6D63 K64 Y69 T70 E71D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 2.89Å; K64-L67 PolarHBondContact O-N 3.41Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 2.99Å; L67-T70 WeakPolarHBondContact O-CA 3.36Å; L67-T70 PolarHBondContact O-N 3.2Å; L67-T70 PolarHBondContact O-OG1 2.82Å; L67-E71 WeakPolarHBondContact O-CG 3.43Å; L67-E71 PolarHBondContact O-N 2.94Å
68K93.6Very high92.6Very high88 Ų8898.7 Ų98.738%0.38350%0.496SS..Hα-helixtrans-56.9-41.2173.7-177.5172.5175.9174.80112E42 K64 T70 E71 Y72E42-K68 WeakPolarHBondContact OE2-CD 3.44Å; E42-K68 IonicContact OE2-NZ 3.15Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.72Å; K68-E71 PolarHBondContact O-N 3.04Å; K68-Y72 HydrophobicContact CG-CD2 4.35Å; K68-Y72 HydrophobicContact CG-CE2 4.1Å; K68-Y72 VanDerWaalsContact O-CD2 3.29Å; K68-Y72 WeakPolarHBondContact O-CD2 3.24Å; K68-Y72 PolarHBondContact O-N 2.93Å
69Y93.9Very high92.5Very high160 Ų160103.8 Ų103.863%0.62751%0.511SS*.Hα-helixtrans-60.8-38174.1177.4-92.3000112.4V65 L66 L67 Y72V65-Y69 WeakPolarHBondContact O-CB 3.36Å; V65-Y69 PolarHBondContact O-N 2.99Å; L66-Y69 WeakPolarHBondContact O-CB 3.5Å; L66-Y69 PolarHBondContact O-N 2.99Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 2.99Å; Y69-Y72 PolarHBondContact O-N 3.41Å
70T93.3Very high92.5Very high106 Ų106105.7 Ų105.765%0.6552%0.522SS*.Hα-helixtrans-75.4-17.9176.153.40000114.9L66 L67 K68L66-T70 PolarHBondContact O-N 3.34Å; L66-T70 PolarHBondContact O-OG1 2.89Å; L67-T70 WeakPolarHBondContact O-CA 3.36Å; L67-T70 PolarHBondContact O-N 3.2Å; L67-T70 PolarHBondContact O-OG1 2.82Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.72Å
71E91.9Very high92.6Very high124 Ų124109.2 Ų109.258%0.57954%0.538SS*.Hα-helixtrans-79.3-21.8173.9-70.2169179.500112.6L67 K68L67-E71 WeakPolarHBondContact O-CG 3.43Å; L67-E71 PolarHBondContact O-N 2.94Å; K68-E71 PolarHBondContact O-N 3.04Å
72Y86.9Confident92.6Very high157 Ų157110.7 Ų110.762%0.61655%0.553SS**  trans-93.1112.3178-81.7-109.4000111.1K68 Y69 E74K68-Y72 HydrophobicContact CG-CD2 4.35Å; K68-Y72 HydrophobicContact CG-CE2 4.1Å; K68-Y72 VanDerWaalsContact O-CD2 3.29Å; K68-Y72 WeakPolarHBondContact O-CD2 3.24Å; K68-Y72 PolarHBondContact O-N 2.93Å; Y69-Y72 PolarHBondContact O-N 3.41Å; Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.39Å
73N73.6Confident92.5Very high171 Ų171112.1 Ų112.191%0.91456%0.561SS**SBendtrans-65.3-25.1-175.5-68-84.6000114.7
74E85.1Confident92.4Very high163 Ų163110.5 Ų110.576%0.76255%0.552SS**SBendtrans-146.7136.1177.5-168176.2-166.300111.3Y72Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.39Å
75P89.6Confident92.4Very high66 Ų66108.3 Ų108.343%0.42955%0.55SS..  trans-76.4128.7174.630.4-34.7000111.9E77P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.21Å
76H89.2Confident92.2Very high199 Ų199111.9 Ų111.992%0.92157%0.565SS**SBendtrans-57.1-34.8179.8178.664.2000114.4
77E93.8Very high92.1Very high119 Ų119114.6 Ų114.656%0.55657%0.574SS**SBendtrans-135124.7165.2-176.1176.1-162.400108.7P75 R79P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.21Å; E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 IonicContact OE1-CZ 2.72Å; E77-R79 IonicContact OE1-NE 3.59Å; E77-R79 PolarHBondContact OE1-NE 3.4Å; E77-R79 IonicContact OE1-NH2 3.29Å; E77-R79 PolarHBondContact OE1-NH2 2.81Å
78S93.8Very high91.9Very high80 Ų80115.7 Ų115.756%0.55958%0.58SS**  trans-109.9142.4169.5-1730000109.9
79R95.4Very high91.8Very high127 Ų127118.3 Ų118.348%0.47959%0.587SS.*  trans-142.6130.5179.8-68.4-62.9176.5-151.8-11.4111.9E77 D83E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 IonicContact OE1-CZ 2.72Å; E77-R79 IonicContact OE1-NE 3.59Å; E77-R79 PolarHBondContact OE1-NE 3.4Å; E77-R79 IonicContact OE1-NH2 3.29Å; E77-R79 PolarHBondContact OE1-NH2 2.81Å; R79-D83 WeakPolarHBondContact CD-OD1 3.44Å; R79-D83 IonicContact CZ-OD1 2.87Å; R79-D83 IonicContact NH1-OD1 2.84Å; R79-D83 PolarHBondContact NH1-OD1 3.06Å
80T97.2Very high91.4Very high72 Ų72113.5 Ų113.544%0.44257%0.573SS.*  trans-105175.3174.973.90000111.2S82 D83 I84T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 WeakPolarHBondContact OG1-CB 3.46Å; T80-S82 PolarHBondContact OG1-N 3.47Å; T80-D83 WeakPolarHBondContact CB-OD2 3.49Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.25Å; T80-D83 PolarHBondContact OG1-OD2 3.29Å; T80-I84 WeakPolarHBondContact O-CG1 3.29Å; T80-I84 PolarHBondContact O-N 3.36Å
81N95.8Very high90.8Very high136 Ų136116.1 Ų116.173%0.72758%0.575SS**Hα-helixtrans-58.2-31.9170.9-69.9-11000112.2I84 V85N81-I84 PolarHBondContact O-N 3.45Å; N81-V85 WeakPolarHBondContact O-CB 3.37Å; N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.36Å; N81-V85 PolarHBondContact O-N 2.97Å
82S95.9Very high89.3Confident91 Ų91113 Ų11364%0.63658%0.576SS**Hα-helixtrans-66-48.8179.9-55.20000111.5T80 I84 V85 E86T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 WeakPolarHBondContact OG1-CB 3.46Å; T80-S82 PolarHBondContact OG1-N 3.47Å; S82-I84 PolarHBondContact O-N 3.1Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-E86 PolarHBondContact O-N 2.89Å
83D95Very high87.7Confident46 Ų46111.9 Ų111.925%0.24658%0.576CS.*Hα-helixtrans-54.4-42.2175.2-59.7-109.9000112.2R79 T80 K87R79-D83 WeakPolarHBondContact CD-OD1 3.44Å; R79-D83 IonicContact CZ-OD1 2.87Å; R79-D83 IonicContact NH1-OD1 2.84Å; R79-D83 PolarHBondContact NH1-OD1 3.06Å; T80-D83 WeakPolarHBondContact CB-OD2 3.49Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.25Å; T80-D83 PolarHBondContact OG1-OD2 3.29Å; D83-K87 WeakPolarHBondContact O-CB 3.2Å; D83-K87 PolarHBondContact O-N 3.38Å
84I94.4Very high86.7Confident87 Ų87109.7 Ų109.745%0.44657%0.565SS.*Hα-helixtrans-71.7-43-176.5-63.9166.5000110T80 N81 S82 L88T80-I84 WeakPolarHBondContact O-CG1 3.29Å; T80-I84 PolarHBondContact O-N 3.36Å; N81-I84 PolarHBondContact O-N 3.45Å; S82-I84 PolarHBondContact O-N 3.1Å; I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-L88 WeakPolarHBondContact O-CB 3.02Å; I84-L88 WeakPolarHBondContact O-CD1 3.37Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.13Å
85V94.1Very high85Confident95 Ų95108.8 Ų108.858%0.57657%0.565SS**Hα-helixtrans-64.8-42.4176.7168.40000111.2N81 S82 L88 R89N81-V85 WeakPolarHBondContact O-CB 3.37Å; N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.36Å; N81-V85 PolarHBondContact O-N 2.97Å; S82-V85 PolarHBondContact O-N 3.46Å; V85-L88 PolarHBondContact O-N 2.94Å; V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 PolarHBondContact O-N 2.79Å
86E93.4Very high82.9Confident95 Ų95111.2 Ų111.244%0.44458%0.583SS.*Hα-helixtrans-64.3-49175172.7152.4-132.500112.1S82 L88 R89 N90S82-E86 PolarHBondContact O-N 2.89Å; E86-L88 PolarHBondContact O-N 2.71Å; E86-R89 PolarHBondContact O-N 3.37Å; E86-R89 IonicContact OE1-NH2 2.61Å; E86-R89 PolarHBondContact OE1-NH2 3.09Å; E86-N90 WeakPolarHBondContact CG-ND2 3.35Å; E86-N90 PolarHBondContact O-N 2.85Å; E86-N90 PolarHBondContact O-OD1 3.36Å; E86-N90 PolarHBondContact OE1-ND2 3.11Å
87K92.8Very high80.8Confident124 Ų124105.5 Ų105.554%0.53957%0.57SS.*Hα-helixtrans-59.5-30178.1-170.2173.5-67.1-176.40112.1D83 K91D83-K87 WeakPolarHBondContact O-CB 3.2Å; D83-K87 PolarHBondContact O-N 3.38Å; K87-K91 VanDerWaalsContact O-CB 3.27Å; K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 PolarHBondContact O-N 3.26Å
88L91.5Very high78.5Confident123 Ų123103.6 Ų103.664%0.64457%0.569SS**Hα-helixtrans-76.4-38.7172.5-72.9169.8000113.4I84 V85 E86I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-L88 WeakPolarHBondContact O-CB 3.02Å; I84-L88 WeakPolarHBondContact O-CD1 3.37Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.13Å; V85-L88 PolarHBondContact O-N 2.94Å; E86-L88 PolarHBondContact O-N 2.71Å
89R91.3Very high76.4Confident144 Ų144105.7 Ų105.754%0.54358%0.581SS.*Hα-helixtrans-65.5-54.6176.3177.4-174.263.8-158.4-2.4111.2V85 E86 K91 G92V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 PolarHBondContact O-N 2.79Å; E86-R89 PolarHBondContact O-N 3.37Å; E86-R89 IonicContact OE1-NH2 2.61Å; E86-R89 PolarHBondContact OE1-NH2 3.09Å; R89-K91 PolarHBondContact O-N 2.87Å; R89-G92 WeakPolarHBondContact O-CA 3.47Å; R89-G92 PolarHBondContact O-N 2.8Å
90N86.4Confident73.8Confident59 Ų59106.3 Ų106.332%0.31659%0.594SS.*Hα-helixtrans-66.4-30.9-172.4-58.211.2000110.6E86 G92 Q93 N94E86-N90 WeakPolarHBondContact CG-ND2 3.35Å; E86-N90 PolarHBondContact O-N 2.85Å; E86-N90 PolarHBondContact O-OD1 3.36Å; E86-N90 PolarHBondContact OE1-ND2 3.11Å; N90-G92 PolarHBondContact O-N 3.36Å; N90-Q93 PolarHBondContact O-N 3.1Å; N90-Q93 VanDerWaalsContact O-N 3.07Å; N90-N94 PolarHBondContact O-N 3.47Å
91K79.8Confident71.6Confident160 Ų160106.7 Ų106.770%0.69661%0.605SS**THydrogen-bonded Turntrans-63.6-22.8170.6-177.1161.9-177.3164.40114.1K87 R89K87-K91 VanDerWaalsContact O-CB 3.27Å; K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 PolarHBondContact O-N 3.26Å; R89-K91 PolarHBondContact O-N 2.87Å
92G60.2Low69.2Low59 Ų59107.4 Ų107.461%0.60861%0.608SS**THydrogen-bonded Turntrans-88.20.8172.800000114.7R89 N90R89-G92 WeakPolarHBondContact O-CA 3.47Å; R89-G92 PolarHBondContact O-N 2.8Å; N90-G92 PolarHBondContact O-N 3.36Å
93Q53.8Low66.5Low133 Ų133111.2 Ų111.262%0.62162%0.621SS**THydrogen-bonded Turntrans-114.5-25.4-176-162.3157.86.500112.6N90 D95 C96N90-Q93 PolarHBondContact O-N 3.1Å; N90-Q93 VanDerWaalsContact O-N 3.07Å; Q93-D95 PolarHBondContact O-N 3.06Å; Q93-C96 PolarHBondContact O-N 3.43Å
94N51.7Low64Low125 Ų125113.2 Ų113.267%0.66864%0.638SS**G310 helixtrans-69.6-14.1175.9-68.1-4.5000114.3N90 C96N90-N94 PolarHBondContact O-N 3.47Å; N94-C96 PolarHBondContact O-N 3.28Å
95D50.3Low61.2Low144 Ų144118.6 Ų118.677%0.7766%0.659SS**G310 helixtrans-76.6-5.3178-70-33.3000113.4Q93Q93-D95 PolarHBondContact O-N 3.06Å
96C46.1Very low58.6Low118 Ų118117.1 Ų117.180%0.79766%0.663SS**G310 helixtrans-127.67.1-177.1-69.20000114.7Q93 N94 S98Q93-C96 PolarHBondContact O-N 3.43Å; N94-C96 PolarHBondContact O-N 3.28Å; C96-S98 PolarHBondContact O-N 3.46Å; C96-S98 VanDerWaalsContact O-N 3.15Å
97A44.7Very low55.7Low79 Ų79121.8 Ų121.865%0.65368%0.684SS**  trans-88.568.6-179.600000111.8
98S44.3Very low53.3Low78 Ų78121.2 Ų121.255%0.54570%0.695SS.*  trans-69.7125.8164.5-174.30000109C96 D100C96-S98 PolarHBondContact O-N 3.46Å; C96-S98 VanDerWaalsContact O-N 3.15Å; S98-D100 WeakPolarHBondContact CB-OD2 3.35Å; S98-D100 PolarHBondContact O-N 2.84Å; S98-D100 VanDerWaalsContact OG-CG 3.31Å; S98-D100 PolarHBondContact OG-OD2 3.04Å
99P50.3Low51.8Low124 Ų124121.2 Ų121.281%0.80570%0.703SS**  trans-81.865.1172.435.1-34000109.7A101P99-A101 PolarHBondContact O-N 3.21Å
100D40.9Very low49.1Very low141 Ų141121.4 Ų121.475%0.75471%0.714SS**  trans-70.2112.1169.4-68-64.3000108.3S98S98-D100 WeakPolarHBondContact CB-OD2 3.35Å; S98-D100 PolarHBondContact O-N 2.84Å; S98-D100 VanDerWaalsContact OG-CG 3.31Å; S98-D100 PolarHBondContact OG-OD2 3.04Å
101A51.5Low47Very low80 Ų80125.8 Ų125.866%0.66174%0.735SS**  trans-96.6152.8-170.600000112.7P99P99-A101 PolarHBondContact O-N 3.21Å
102D44.7Very low44.8Very low150 Ų150125 Ų12580%0.80274%0.738SS**  trans6176.8154.2-54.8-35.8000119.3
103D39.8Very low44Very low171 Ų171129.6 Ų129.691%0.91475%0.748SS**  trans-145.895.2144.1-105.6-33.7000106.8
104C41.1Very low43.4Very low88 Ų88132.4 Ų132.460%0.59576%0.761SS**  cis91.912442.7-1570000112.9
105F36Very low42.6Very low200 Ų200136.4 Ų136.488%0.87777%0.773SS**  trans61137.8-171.3-45.9-80000115.9
106G39.6Very low42.2Very low64 Ų64132.7 Ų132.766%0.6677%0.769SS**  cis134.582.7-8.400000113.7
107H33.8Very low41.9Very low194 Ų194134.5 Ų134.590%0.89876%0.763SS**  trans-167.6141.2154.9-104.2-68.6000112.1
108S40.9Very low41.6Very low111 Ų111138.7 Ų138.778%0.77677%0.773SS**  trans-140.2165.8165.7-53.80000107.6
109P60.3Low41.4Very low123 Ų123139.9 Ų139.980%0.79978%0.782SS**  cis-126.4-149.6-8.541.8-24.8000111.6
110L35.7Very low41Very low149 Ų149140.1 Ų140.178%0.7877%0.772SS**  trans116.9142.6149.2-142.3166.2000116.5
111M40.9Very low40.9Very low151 Ų151139.8 Ų139.874%0.74477%0.771SS**  trans74.4101.8167.853.5-169.9-173.200122.1
112D34.9Very low40.5Very low143 Ų143140.6 Ų140.677%0.76577%0.771SS**  97.9123.3117.6-61.3-4.6000121.8
113D43.4Very low40.3Very low155 Ų155139.9 Ų139.983%0.82977%0.768SS**  trans-58.7134.2170.6-59.9-103.5000112.8
114H40.8Very low40.6Very low192 Ų192139 Ų13989%0.88976%0.762SS**  trans-129.5104.6151.9-97.462.5000111.3
115F35.5Very low40.7Very low210 Ų210142.9 Ų142.992%0.92177%0.774SS**  trans-29129.1170.1-161.8-95.3000115.2
116G40.5Very low40.8Very low66 Ų66144.2 Ų144.268%0.6877%0.774SS**  trans-85.2146.7-170.100000115.9
117K40.6Very low40.9Very low156 Ų156150.8 Ų150.868%0.67879%0.785SS**  trans-156.1109.7157-138.3-173.8-178.7-149.80110.7E120K117-E120 WeakPolarHBondContact CD-OE2 3.36Å; K117-E120 WeakPolarHBondContact CE-OE2 3.47Å; K117-E120 IonicContact NZ-OE1 2.69Å; K117-E120 PolarHBondContact NZ-OE1 3.45Å; K117-E120 IonicContact NZ-OE2 2.66Å; K117-E120 PolarHBondContact NZ-OE2 3.24Å
118L38.1Very low41.1Very low166 Ų166152.5 Ų152.587%0.86978%0.783SS**  trans-146.276.2174.1-105.6173.1000109.6
119S40.5Very low40.7Very low104 Ų104153.7 Ų153.773%0.72779%0.79SS**SBendtrans-150.613.4-177.9-170.60000113.9
120E41Very low39.6Very low129 Ų129151.2 Ų151.260%0.60379%0.787SS**SBendtrans-128.6-6.3-167-70.4169.5141.300114.8K117K117-E120 WeakPolarHBondContact CD-OE2 3.36Å; K117-E120 WeakPolarHBondContact CE-OE2 3.47Å; K117-E120 IonicContact NZ-OE1 2.69Å; K117-E120 PolarHBondContact NZ-OE1 3.45Å; K117-E120 IonicContact NZ-OE2 2.66Å; K117-E120 PolarHBondContact NZ-OE2 3.24Å
121D40.3Very low39.7Very low134 Ų134148.9 Ų148.972%0.71779%0.789SS**SBendtrans-87.2-8.2-178.2-88.1-37.2000115.1D123D121-D123 VanDerWaalsContact C-N 3.33Å; D121-D123 PolarHBondContact O-N 3.28Å
122S42.9Very low39.5Very low97 Ų97149.1 Ų149.168%0.67879%0.793SS**THydrogen-bonded Turntrans-71.4-22.3-174.949.80000114.8
123D40.7Very low39.5Very low135 Ų135149 Ų14972%0.72279%0.792SS**THydrogen-bonded Turntrans-91.1-15.6-169.9-78.45.8000114.2D121 M125D121-D123 VanDerWaalsContact C-N 3.33Å; D121-D123 PolarHBondContact O-N 3.28Å; D123-M125 PolarHBondContact O-N 3.03Å
124L44.7Very low39.5Very low151 Ų151149.6 Ų149.679%0.79179%0.787SS**G310 helixtrans-76.6-23.5-171.9-143.874.2000113.7
125M42.8Very low39.4Very low171 Ų171150.5 Ų150.584%0.84279%0.789SS**G310 helixtrans-72.6-28-178.5-98.1-69.1-167.900114D123 K127D123-M125 PolarHBondContact O-N 3.03Å; M125-K127 PolarHBondContact O-N 3.38Å
126Y38.4Very low39.5Very low227 Ų227146.1 Ų146.189%0.8977%0.771SS**G310 helixtrans-79.50.5-168.1-139.8-91.6000114.8
127K42.7Very low39.4Very low202 Ų202150.7 Ų150.788%0.87877%0.774SS**G310 helixtrans-112.112.4-174.6-92.6-179.2176173.20116M125M125-K127 PolarHBondContact O-N 3.38Å
128R37.7Very low39.4Very low230 Ų230154.9 Ų154.987%0.86879%0.786SS**SBendtrans-122.232.7-178.3-164.6145.5-126.4177.42116.3
129C32Very low39.6Very low137 Ų137150.8 Ų150.893%0.92678%0.783SS**  trans-136.679.3165.3-86.80000111.5
130G37.1Very low39.3Very low71 Ų71152 Ų15273%0.73279%0.79SS**  trans-153.7135.3174.400000111.4
131A37.5Very low39Very low99 Ų99153.5 Ų153.582%0.81880%0.803SS**  trans63.1135-162.200000113.1
132L36.5Very low39Very low157 Ų157152.3 Ų152.382%0.82281%0.805SS**  cis-140.3159.643.5-80.8161.5000115.6
133N35.7Very low39.2Very low140 Ų140153 Ų15375%0.74981%0.807SS**  trans54.778.7152.3-68.111.4000121
134K43.6Very low39Very low168 Ų168151.8 Ų151.873%0.7380%0.8SS**  25.3108.2105.9-169.8178.7-176.5-177.50117.2E136K134-E136 WeakPolarHBondContact CE-OE2 3.29Å; K134-E136 HydrophobicContact CG-CG 4.44Å; K134-E136 IonicContact NZ-OE2 2.8Å; K134-E136 PolarHBondContact NZ-OE2 2.76Å
135K39.5Very low39.2Very low211 Ų211150.7 Ų150.792%0.91780%0.802SS**  trans-135.6142.1143.1-166.4169.3-176.1175.70108.7
136E37.2Very low39Very low117 Ų117149.4 Ų149.455%0.54780%0.799SS.*  trans-104.3162.4-159.6-79.6-171.946.200115.7K134K134-E136 WeakPolarHBondContact CE-OE2 3.29Å; K134-E136 HydrophobicContact CG-CG 4.44Å; K134-E136 IonicContact NZ-OE2 2.8Å; K134-E136 PolarHBondContact NZ-OE2 2.76Å
137H38.9Very low39.2Very low163 Ų163141.7 Ų141.776%0.75578%0.782SS**  trans61.7102.8151.8-83.194.1000119.1
138R40.5Very low39.4Very low244 Ų244137.4 Ų137.492%0.92178%0.778SS**  -145.6158.588.8-77.7-153.8-177-92.30.4109.9
139G40.8Very low39.7Very low79 Ų79134.5 Ų134.581%0.81477%0.768SS**  trans-74140.9-16400000115.2
140C35.2Very low40.7Very low129 Ų129133.1 Ų133.187%0.87276%0.755SS**  trans-106.7116.2150.2-70.90000106.8S142C140-S142 PolarHBondContact O-N 3.46Å
141D34.8Very low41.4Very low162 Ų162133 Ų13387%0.86674%0.737SS**  trans-67.2128.8168.7-158.9-97.2000108.3P143D141-P143 WeakPolarHBondContact O-CD 3.37Å
142S39.3Very low42.4Very low109 Ų109132.5 Ų132.576%0.76272%0.724SS**  trans-100.9108.3-171.6-174.90000109.8C140C140-S142 PolarHBondContact O-N 3.46Å
143P46.8Very low43.3Very low111 Ų111128.9 Ų128.972%0.72171%0.71SS**  trans-64.9141.4178.527.1-34000111.3D141D141-P143 WeakPolarHBondContact O-CD 3.37Å
144D38.3Very low43.9Very low109 Ų109128.8 Ų128.858%0.58371%0.705SS**  trans-54.2134.4-178.8-171.4-25.3000112.9D146 A147D144-D146 PolarHBondContact O-N 2.94Å; D144-D146 PolarHBondContact OD1-N 3.27Å; D144-A147 PolarHBondContact O-N 2.8Å
145P48.9Very low44.8Very low128 Ų128123.4 Ų123.483%0.83169%0.686SS**THydrogen-bonded Turntrans-58.5-23.4174.724.2-35.6000115.5A147P145-A147 VanDerWaalsContact C-N 3.28Å; P145-A147 PolarHBondContact O-N 3.22Å
146D38.3Very low46.1Very low145 Ų145119.1 Ų119.178%0.77567%0.669SS**THydrogen-bonded Turntrans-84.18.2-176.5-86.5-38.5000114.9D144 S148D144-D146 PolarHBondContact O-N 2.94Å; D144-D146 PolarHBondContact OD1-N 3.27Å; D146-S148 PolarHBondContact O-N 2.9Å
147A41.5Very low47.6Very low65 Ų65119.1 Ų119.154%0.53767%0.669SS.*  trans-66.694.3173.200000112.1D144 P145 Y149D144-A147 PolarHBondContact O-N 2.8Å; P145-A147 VanDerWaalsContact C-N 3.28Å; P145-A147 PolarHBondContact O-N 3.22Å; A147-Y149 PolarHBondContact O-N 3.32Å
148S46.9Very low49Very low112 Ų112117.9 Ų117.978%0.78366%0.661SS**  trans-6095.1176.264.60000111.7D146 V150D146-S148 PolarHBondContact O-N 2.9Å; S148-V150 PolarHBondContact O-N 3.39Å
149Y44.9Very low50.4Low169 Ų169109.9 Ų109.966%0.66363%0.632SS**  trans-86.878.7-161.6-158-61.9000111.8R15 A147R15-Y149 VanDerWaalsContact NH2-CB 3.28Å; R15-Y149 VanDerWaalsContact NH2-CG 3.32Å; R15-Y149 PolarHBondContact NH2-O 3.24Å; A147-Y149 PolarHBondContact O-N 3.32Å
150V52.6Low52.1Low108 Ų108112 Ų11266%0.65562%0.619SS**PPolyproline II helixtrans-47.4141.4171.8-172.60000110.7S148 T152S148-V150 PolarHBondContact O-N 3.39Å; V150-T152 PolarHBondContact O-N 3.28Å
151L51.7Low54.1Low67 Ų67112.9 Ų112.935%0.35161%0.608SS.*PPolyproline II helixtrans-65128.9170.1-83.983.9000109
152T57.7Low56Low89 Ų89108.1 Ų108.155%0.54658%0.582SS.*PPolyproline II helixtrans-54.1127.7175.9-39.50000109.2V150 H154 T155V150-T152 PolarHBondContact O-N 3.28Å; T152-H154 VanDerWaalsContact C-N 3.29Å; T152-H154 PolarHBondContact O-N 3.47Å; T152-H154 VanDerWaalsContact O-N 3.09Å; T152-T155 WeakPolarHBondContact O-CA 3.34Å; T152-T155 WeakPolarHBondContact O-CB 3.32Å; T152-T155 PolarHBondContact O-N 2.88Å; T152-T155 PolarHBondContact O-OG1 2.92Å
153P57.4Low57.6Low82 Ų82105.3 Ų105.353%0.53256%0.558SS.*Hα-helixtrans-51.2-43-167-33.136000114.8T155 E156 E157P153-T155 PolarHBondContact O-N 2.98Å; P153-E156 PolarHBondContact O-N 3Å; P153-E157 WeakPolarHBondContact O-CG 3.38Å; P153-E157 PolarHBondContact O-N 3.27Å
154H47.3Very low59.3Low138 Ų138104.3 Ų104.364%0.63954%0.544SS*.Hα-helixtrans-55.2-22.7175.1179.2-110.4000114.8T152 K158T152-H154 VanDerWaalsContact C-N 3.29Å; T152-H154 PolarHBondContact O-N 3.47Å; T152-H154 VanDerWaalsContact O-N 3.09Å; H154-K158 WeakPolarHBondContact O-CB 3.32Å
155T63Low60.9Low54 Ų54105.3 Ų105.333%0.33155%0.545SS..Hα-helixtrans-84.7-38.7172.7680000112.5T152 P153 K158 Y159T152-T155 WeakPolarHBondContact O-CA 3.34Å; T152-T155 WeakPolarHBondContact O-CB 3.32Å; T152-T155 PolarHBondContact O-N 2.88Å; T152-T155 PolarHBondContact O-OG1 2.92Å; P153-T155 PolarHBondContact O-N 2.98Å; T155-K158 PolarHBondContact O-N 2.88Å; T155-Y159 WeakPolarHBondContact O-CD2 3.1Å; T155-Y159 PolarHBondContact O-N 2.72Å
156E65.6Low62Low121 Ų12199.9 Ų99.957%0.56551%0.508SS*.Hα-helixtrans-66-49.3175.9-177175.5175.100110.9P153 K158 Y159 K160P153-E156 PolarHBondContact O-N 3Å; E156-K158 PolarHBondContact O-N 3.47Å; E156-Y159 PolarHBondContact O-N 2.72Å; E156-K160 WeakPolarHBondContact O-CB 3.16Å; E156-K160 PolarHBondContact O-N 2.91Å
157E70.1Confident64Low118 Ų11896.8 Ų96.855%0.55149%0.492SS*.Hα-helixtrans-51.3-41.7173.6-71169.1173.800111.9P153 K160 K161P153-E157 WeakPolarHBondContact O-CG 3.38Å; P153-E157 PolarHBondContact O-N 3.27Å; E157-K160 PolarHBondContact O-N 3.27Å; E157-K161 VanDerWaalsContact O-CB 3.24Å; E157-K161 WeakPolarHBondContact O-CB 3.18Å; E157-K161 PolarHBondContact O-N 2.69Å
158K68.1Low65.7Low136 Ų13697.3 Ų97.359%0.59149%0.485SS*.Hα-helixtrans-67.1-35.8179.4-171.4166.5-174.21660112.9H154 T155 E156 I162H154-K158 WeakPolarHBondContact O-CB 3.32Å; T155-K158 PolarHBondContact O-N 2.88Å; E156-K158 PolarHBondContact O-N 3.47Å; K158-I162 WeakPolarHBondContact O-CD1 3.39Å; K158-I162 VanDerWaalsContact O-CG1 3.26Å; K158-I162 WeakPolarHBondContact O-CG1 3.2Å; K158-I162 PolarHBondContact O-N 3.31Å
159Y69.2Low67.1Low76 Ų7695.1 Ų95.130%0.29846%0.464SS..Hα-helixtrans-77.6-37.2174.3-66.1-59.8000112.4V19 K23 T155 E156 I162 N163V19-Y159 HydrophobicContact CG2-CE2 4.38Å; K23-Y159 HydrophobicContact CD-CE1 4.41Å; T155-Y159 WeakPolarHBondContact O-CD2 3.1Å; T155-Y159 PolarHBondContact O-N 2.72Å; E156-Y159 PolarHBondContact O-N 2.72Å; Y159-I162 PolarHBondContact O-N 3.29Å; Y159-N163 PolarHBondContact O-N 2.82Å; Y159-N163 VanDerWaalsContact O-N 3.15Å
160K77.3Confident68.5Low124 Ų12488.6 Ų88.654%0.53944%0.44SS..Hα-helixtrans-58.6-49.5173178.5175.7171.4-179.70111E156 E157 I162 N163 E164E156-K160 WeakPolarHBondContact O-CB 3.16Å; E156-K160 PolarHBondContact O-N 2.91Å; E157-K160 PolarHBondContact O-N 3.27Å; K160-I162 VanDerWaalsContact C-N 3.32Å; K160-I162 PolarHBondContact O-N 2.9Å; K160-N163 WeakPolarHBondContact O-CB 3.42Å; K160-N163 PolarHBondContact O-N 3.46Å; K160-N163 VanDerWaalsContact O-N 3.12Å; K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 HydrophobicContact CG-CG 4.47Å; K160-E164 WeakPolarHBondContact CG-OE1 3.3Å; K160-E164 IonicContact NZ-OE1 2.81Å; K160-E164 WeakPolarHBondContact O-CG 3.4Å; K160-E164 PolarHBondContact O-N 3.35Å
161K77.3Confident69.5Low148 Ų14890.4 Ų90.464%0.64344%0.435SS*.Hα-helixtrans-61-36.2178.3-173.4167.3-178.2171.20113.3E157 E164 E165E157-K161 VanDerWaalsContact O-CB 3.24Å; E157-K161 WeakPolarHBondContact O-CB 3.18Å; E157-K161 PolarHBondContact O-N 2.69Å; K161-E164 PolarHBondContact O-N 2.93Å; K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 2.73Å
162I73.6Confident70.1Confident62 Ų6293.2 Ų93.232%0.31845%0.45SS..Hα-helixtrans-66.6-40.3174.9-72165.6000111.4F26 K158 Y159 K160 F166F26-I162 HydrophobicContact CD2-CG2 3.93Å; F26-I162 HydrophobicContact CE2-CG2 3.52Å; F26-I162 WeakPolarHBondContact CE2-O 3.49Å; F26-I162 HydrophobicContact CZ-CG2 4.03Å; K158-I162 WeakPolarHBondContact O-CD1 3.39Å; K158-I162 VanDerWaalsContact O-CG1 3.26Å; K158-I162 WeakPolarHBondContact O-CG1 3.2Å; K158-I162 PolarHBondContact O-N 3.31Å; Y159-I162 PolarHBondContact O-N 3.29Å; K160-I162 VanDerWaalsContact C-N 3.32Å; K160-I162 PolarHBondContact O-N 2.9Å; I162-F166 PolarHBondContact O-N 3.05Å
163N73.1Confident70.1Confident50 Ų5094.3 Ų94.327%0.26745%0.449SS..Hα-helixtrans-63.6-50.6172.5-73.3-10.3000110.6Y159 K160 E165 F166 D167Y159-N163 PolarHBondContact O-N 2.82Å; Y159-N163 VanDerWaalsContact O-N 3.15Å; K160-N163 WeakPolarHBondContact O-CB 3.42Å; K160-N163 PolarHBondContact O-N 3.46Å; K160-N163 VanDerWaalsContact O-N 3.12Å; N163-E165 VanDerWaalsContact C-N 3.31Å; N163-E165 PolarHBondContact O-N 2.93Å; N163-F166 CarbonylContact O-C 3.6Å; N163-F166 PolarHBondContact O-N 2.9Å; N163-F166 VanDerWaalsContact O-N 3.11Å; N163-D167 WeakPolarHBondContact O-CB 3.19Å; N163-D167 VanDerWaalsContact O-CG 3.25Å; N163-D167 PolarHBondContact O-N 2.81Å
164E81.9Confident69.7Low90 Ų9096.3 Ų96.342%0.42145%0.449SS..Hα-helixtrans-60.4-36.9-179.2-71.1172173.400113.1K160 K161 D167 N168K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 HydrophobicContact CG-CG 4.47Å; K160-E164 WeakPolarHBondContact CG-OE1 3.3Å; K160-E164 IonicContact NZ-OE1 2.81Å; K160-E164 WeakPolarHBondContact O-CG 3.4Å; K160-E164 PolarHBondContact O-N 3.35Å; K161-E164 PolarHBondContact O-N 2.93Å; E164-D167 PolarHBondContact O-N 3.46Å; E164-N168 VanDerWaalsContact O-CB 3.28Å; E164-N168 WeakPolarHBondContact O-CB 3.48Å; E164-N168 VanDerWaalsContact O-CG 3.28Å; E164-N168 PolarHBondContact O-N 2.62Å
165E73.8Confident69.6Low129 Ų12996.6 Ų96.660%0.60345%0.454SS*.Hα-helixtrans-64.1-41.3174.5-178.6172.7-155.200111.9K161 N163 N168 M169K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 2.73Å; N163-E165 VanDerWaalsContact C-N 3.31Å; N163-E165 PolarHBondContact O-N 2.93Å; E165-N168 WeakPolarHBondContact O-CB 3.27Å; E165-M169 WeakPolarHBondContact O-CB 3.49Å; E165-M169 PolarHBondContact O-N 3.33Å
166F71.8Confident68.5Low14 Ų1499.6 Ų99.66%0.06147%0.474CS..Hα-helixtrans-74.8-37175.3-177.3-88.9000112.6F26 M29 K30 I162 N163 N168 M169 M170F26-F166 HydrophobicContact CD2-CB 4.3Å; F26-F166 HydrophobicContact CD2-CG 4.39Å; F26-F166 HydrophobicContact CE1-CD2 4.19Å; F26-F166 HydrophobicContact CE2-CB 3.35Å; F26-F166 AromaticContact CE2-CD2 3.91Å; F26-F166 HydrophobicContact CE2-CD2 3.91Å; F26-F166 AromaticContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CZ-CB 3.75Å; F26-F166 AromaticContact CZ-CD2 3.63Å; F26-F166 HydrophobicContact CZ-CD2 3.63Å; F26-F166 AromaticContact CZ-CG 3.93Å; F26-F166 HydrophobicContact CZ-CG 3.93Å; M29-F166 HydrophobicContact CB-CE1 4.31Å; M29-F166 HydrophobicContact CB-CZ 4.2Å; K30-F166 HydrophobicContact CB-CE2 4.19Å; K30-F166 HydrophobicContact CG-CE2 4.44Å; I162-F166 PolarHBondContact O-N 3.05Å; N163-F166 CarbonylContact O-C 3.6Å; N163-F166 PolarHBondContact O-N 2.9Å; N163-F166 VanDerWaalsContact O-N 3.11Å; F166-N168 VanDerWaalsContact C-N 3.28Å; F166-N168 PolarHBondContact O-N 3.01Å; F166-M169 HydrophobicContact CD2-CE 3.5Å; F166-M169 HydrophobicContact CE2-CE 3.49Å; F166-M169 VanDerWaalsContact CE2-CE 3.49Å; F166-M169 HydrophobicContact CG-CE 4.41Å; F166-M169 HydrophobicContact CZ-CE 4.39Å; F166-M169 WeakPolarHBondContact O-CB 3.46Å; F166-M169 PolarHBondContact O-N 3.39Å; F166-M169 VanDerWaalsContact O-N 3.15Å; F166-M170 HydrophobicContact CD1-CG 3.75Å; F166-M170 HydrophobicContact CE1-CG 3.38Å; F166-M170 HydrophobicContact CE1-SD 3.99Å; F166-M170 HydrophobicContact CG-CG 4.45Å; F166-M170 HydrophobicContact CZ-CG 3.81Å; F166-M170 HydrophobicContact CZ-SD 3.83Å; F166-M170 WeakPolarHBondContact O-CB 3.49Å; F166-M170 WeakPolarHBondContact O-CG 3.4Å; F166-M170 PolarHBondContact O-N 3.33Å
167D78.8Confident67.1Low80 Ų8099.6 Ų99.643%0.42848%0.483SS..Hα-helixtrans-66.9-33174.7-65.8-28.8000110.9N163 E164 R171N163-D167 WeakPolarHBondContact O-CB 3.19Å; N163-D167 VanDerWaalsContact O-CG 3.25Å; N163-D167 PolarHBondContact O-N 2.81Å; E164-D167 PolarHBondContact O-N 3.46Å; D167-R171 WeakPolarHBondContact O-CB 3.47Å; D167-R171 WeakPolarHBondContact O-CG 3.13Å; D167-R171 PolarHBondContact O-N 2.9Å; D167-R171 PolarHBondContact O-NE 3.21Å
168N77.1Confident65.5Low76 Ų7698.4 Ų98.441%0.40649%0.493SS..Hα-helixtrans-64.7-49.4165.9-81.4-2.6000111.6E164 E165 F166 M170 R171 N172E164-N168 VanDerWaalsContact O-CB 3.28Å; E164-N168 WeakPolarHBondContact O-CB 3.48Å; E164-N168 VanDerWaalsContact O-CG 3.28Å; E164-N168 PolarHBondContact O-N 2.62Å; E165-N168 WeakPolarHBondContact O-CB 3.27Å; F166-N168 VanDerWaalsContact C-N 3.28Å; F166-N168 PolarHBondContact O-N 3.01Å; N168-M170 VanDerWaalsContact C-N 3.33Å; N168-M170 PolarHBondContact O-N 2.69Å; N168-R171 PolarHBondContact O-N 3.21Å; N168-R171 VanDerWaalsContact OD1-CZ 3.22Å; N168-R171 PolarHBondContact OD1-NH1 3.43Å; N168-R171 PolarHBondContact OD1-NH2 3.27Å; N168-N172 WeakPolarHBondContact O-CB 2.74Å; N168-N172 PolarHBondContact O-N 2.98Å; N168-N172 PolarHBondContact O-OD1 2.84Å
169M76.6Confident63.9Low67 Ų6798.8 Ų98.833%0.3350%0.501SS..Hα-helixtrans-58.3-44.6179-171-16975.300111.7E165 F166 N172 H173E165-M169 WeakPolarHBondContact O-CB 3.49Å; E165-M169 PolarHBondContact O-N 3.33Å; F166-M169 HydrophobicContact CD2-CE 3.5Å; F166-M169 HydrophobicContact CE2-CE 3.49Å; F166-M169 VanDerWaalsContact CE2-CE 3.49Å; F166-M169 HydrophobicContact CG-CE 4.41Å; F166-M169 HydrophobicContact CZ-CE 4.39Å; F166-M169 WeakPolarHBondContact O-CB 3.46Å; F166-M169 PolarHBondContact O-N 3.39Å; F166-M169 VanDerWaalsContact O-N 3.15Å; M169-N172 PolarHBondContact O-N 2.65Å; M169-H173 PolarHBondContact O-N 3.18Å; M169-H173 PolarHBondContact O-ND1 2.96Å
170M74.7Confident62.4Low32 Ų32100.1 Ų100.116%0.15852%0.519CS..Hα-helixtrans-65.1-42.2176.7-74.9-59.3-49.500112.4Y33 Y57 F166 N168 K174Y33-M170 HydrophobicContact CD2-CE 4.06Å; Y33-M170 HydrophobicContact CD2-SD 3.82Å; Y33-M170 HydrophobicContact CE2-SD 4.29Å; Y33-M170 HydrophobicContact CG-SD 4.25Å; Y57-M170 HydrophobicContact CD2-CE 4.4Å; Y57-M170 HydrophobicContact CE2-CE 3.62Å; Y57-M170 HydrophobicContact CE2-SD 4.1Å; F166-M170 HydrophobicContact CD1-CG 3.75Å; F166-M170 HydrophobicContact CE1-CG 3.38Å; F166-M170 HydrophobicContact CE1-SD 3.99Å; F166-M170 HydrophobicContact CG-CG 4.45Å; F166-M170 HydrophobicContact CZ-CG 3.81Å; F166-M170 HydrophobicContact CZ-SD 3.83Å; F166-M170 WeakPolarHBondContact O-CB 3.49Å; F166-M170 WeakPolarHBondContact O-CG 3.4Å; F166-M170 PolarHBondContact O-N 3.33Å; N168-M170 VanDerWaalsContact C-N 3.33Å; N168-M170 PolarHBondContact O-N 2.69Å; M170-K174 PolarHBondContact O-N 2.87Å
171R73Confident60.3Low145 Ų145103 Ų10355%0.54753%0.534SS..Hα-helixtrans-64.3-42.8174.5-86.1-175.4-85.298.7-0.4112.2D167 N168 H173 K174D167-R171 WeakPolarHBondContact O-CB 3.47Å; D167-R171 WeakPolarHBondContact O-CG 3.13Å; D167-R171 PolarHBondContact O-N 2.9Å; D167-R171 PolarHBondContact O-NE 3.21Å; N168-R171 PolarHBondContact O-N 3.21Å; N168-R171 VanDerWaalsContact OD1-CZ 3.22Å; N168-R171 PolarHBondContact OD1-NH1 3.43Å; N168-R171 PolarHBondContact OD1-NH2 3.27Å; R171-H173 VanDerWaalsContact C-N 3.27Å; R171-H173 PolarHBondContact O-N 3.27Å; R171-K174 PolarHBondContact O-N 2.78Å
172N64.1Low58.3Low126 Ų126102.5 Ų102.567%0.67453%0.534SS*.Hα-helixtrans-71.5-20.9-176.2-671000113.2N168 M169N168-N172 WeakPolarHBondContact O-CB 2.74Å; N168-N172 PolarHBondContact O-N 2.98Å; N168-N172 PolarHBondContact O-OD1 2.84Å; M169-N172 PolarHBondContact O-N 2.65Å
173H59.4Low56.4Low113 Ų113106.6 Ų106.652%0.52356%0.556SS.*THydrogen-bonded Turntrans-99.14.7174.7-65.687000113.8M169 R171 I175M169-H173 PolarHBondContact O-N 3.18Å; M169-H173 PolarHBondContact O-ND1 2.96Å; R171-H173 VanDerWaalsContact C-N 3.27Å; R171-H173 PolarHBondContact O-N 3.27Å; H173-I175 PolarHBondContact O-N 3.32Å
174K48.5Very low54.5Low124 Ų124111.9 Ų111.954%0.53958%0.577SS.*SBendtrans-69.3101.6162.8-78.5-146.2172.7-151.80108.6T60 M170 R171 P176T60-K174 PolarHBondContact O-NZ 3.24Å; M170-K174 PolarHBondContact O-N 2.87Å; R171-K174 PolarHBondContact O-N 2.78Å; K174-P176 WeakPolarHBondContact O-CD 3.16Å
175I45.5Very low52.3Low143 Ų143111.9 Ų111.973%0.73359%0.588SS**  trans-52.7124.3175-61.4169.8000109.1H173 T177H173-I175 PolarHBondContact O-N 3.32Å; I175-T177 PolarHBondContact O-N 3.41Å
176P38.4Very low50.6Low117 Ų117113.4 Ų113.476%0.7660%0.596SS**  trans-71.794.5171.4-16.231.3000109.6K174 A178K174-P176 WeakPolarHBondContact O-CD 3.16Å; P176-A178 PolarHBondContact O-N 3.36Å
177T36.7Very low48.9Very low122 Ų122121.2 Ų121.275%0.74863%0.633SS**  trans-72.170.4172.7-48.60000110.2I175 L179I175-T177 PolarHBondContact O-N 3.41Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.28Å
178A35.8Very low46.9Very low92 Ų92123.2 Ų123.276%0.7665%0.647SS**  trans-78.774.6-176.100000111.5P176P176-A178 PolarHBondContact O-N 3.36Å
179L35.5Very low45.2Very low144 Ų144124.2 Ų124.275%0.75467%0.667SS**  trans-90.3127.1158.2-77.6172000109.1T177 Q181T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.48Å
180P37.1Very low43.2Very low104 Ų104126.4 Ų126.468%0.67568%0.684SS**  trans-69.3118.5175.928.2-32.7000109.8Q182P180-Q182 PolarHBondContact O-N 3.03Å
181Q33Very low41.5Very low184 Ų184130.2 Ų130.286%0.8671%0.711SS**  trans-60.9102.9172.7-79.6-80.6-39.700110.1L179 N183L179-Q181 PolarHBondContact O-N 3.48Å; Q181-N183 PolarHBondContact O-N 2.93Å
182Q36.5Very low39.8Very low139 Ų139129.6 Ų129.665%0.6572%0.723SS**  trans-73.9103.2168.5-74-66-46.300108.6P180 F184P180-Q182 PolarHBondContact O-N 3.03Å; Q182-F184 HydrophobicContact CB-CD2 3.99Å; Q182-F184 HydrophobicContact CB-CE2 3.87Å; Q182-F184 PolarHBondContact O-N 3.38Å
183N33.9Very low38.5Very low147 Ų147129 Ų12979%0.78673%0.728SS**  trans-76.582.1-175.7-174.612.2000111.7Q181Q181-N183 PolarHBondContact O-N 2.93Å
184F32.7Very low37.5Very low161 Ų161130.4 Ų130.471%0.70674%0.739SS**  trans-95.299.1169-72.3-72.6000110.3Q182 M186Q182-F184 HydrophobicContact CB-CD2 3.99Å; Q182-F184 HydrophobicContact CB-CE2 3.87Å; Q182-F184 PolarHBondContact O-N 3.38Å; F184-M186 PolarHBondContact O-N 3.17Å
185S35.6Very low37Very low91 Ų91129.7 Ų129.764%0.63675%0.747SS**  trans-72.3107.3174-173.10000110.6
186M37.2Very low36.5Very low160 Ų160130.4 Ų130.479%0.78875%0.753SS**  trans-97.3103.1174.5-70.3-69.4-71.600109.7F184 V188F184-M186 PolarHBondContact O-N 3.17Å; M186-V188 PolarHBondContact O-N 2.92Å; M186-V188 VanDerWaalsContact O-N 3.08Å
187H37.1Very low36.4Very low179 Ų179129.9 Ų129.983%0.82976%0.759SS**  trans-71.699.9174.1-82.7-92.6000110.9
188V37.2Very low36.1Very low121 Ų121132.6 Ų132.673%0.73377%0.765SS**  trans-90.8105.8170-178.70000109.1M186 V190M186-V188 PolarHBondContact O-N 2.92Å; M186-V188 VanDerWaalsContact O-N 3.08Å; V188-V190 HydrophobicContact CG1-CG2 4.14Å
189A39.9Very low36.1Very low98 Ų98138.9 Ų138.981%0.8177%0.77SS**  trans-88.2110.4172.700000110.2
190V36Very low35.9Very low113 Ų113140.8 Ų140.869%0.68578%0.776SS**  trans-95.1117173.3-177.80000109.1V188 V192V188-V190 HydrophobicContact CG1-CG2 4.14Å; V190-V192 PolarHBondContact O-N 3.22Å
191P39.3Very low35.7Very low112 Ų112140.4 Ų140.473%0.72778%0.781SS**  trans-74.4118.3173.729.4-32.3000110.4
192V37.2Very low35.5Very low132 Ų132135.9 Ų135.980%0.878%0.784SS**  trans-89.8105.2172.5177.60000109.3V190 N194V190-V192 PolarHBondContact O-N 3.22Å; V192-N194 PolarHBondContact O-N 2.87Å
193S36.2Very low35.4Very low112 Ų112133 Ų13378%0.78379%0.791SS**  trans-78.7110.1174.1-61.90000110.7
194N37.6Very low35.3Very low143 Ų143133.6 Ų133.677%0.76579%0.794SS**  trans-92.5118.6177.8-173.752.3000111.7V192 N196V192-N194 PolarHBondContact O-N 2.87Å; N194-N196 PolarHBondContact O-N 3.5Å
195P39.6Very low35.5Very low109 Ų109134.2 Ų134.271%0.70880%0.804SS**  trans-91.686.5-173.335-33.9000112.8
196N33.8Very low35.3Very low159 Ų159133.1 Ų133.185%0.8581%0.807SS**  trans-174.1104.8154.4-104.5-35.2000113.1N194N194-N196 PolarHBondContact O-N 3.5Å
197A37.2Very low35.2Very low106 Ų106130.9 Ų130.988%0.87681%0.807SS**  trans-176.664.2158.500000111.9
198M29.6Very low35.2Very low178 Ų178131.5 Ų131.588%0.87781%0.811SS**  trans-104.188.1174.7-170.5-171.3172.100111.9
199Y36.1Very low35Very low224 Ų224129.2 Ų129.288%0.87881%0.805SS**  trans-146.8143.2163-85.4-69.1000113
200Q31.4Very low34.8Very low185 Ų185132.5 Ų132.586%0.86481%0.808SS**  trans66.997.3165.1-72179.5-54.800120.8
201A32Very low34.6Very low96 Ų96131.5 Ų131.579%0.79381%0.811SS**  69.496.6110.100000121
202G30.5Very low34.2Very low89 Ų89131.1 Ų131.192%0.91882%0.818SS**  84.8127109.300000119.5
203G32.6Very low34.1Very low78 Ų78129.6 Ų129.680%0.80482%0.818SS**  trans148.2117.216600000113.5
204N31.7Very low34Very low159 Ų159131.3 Ų131.385%0.8582%0.824SS**  trans-78.6143.8171-62.1-3.9000110.3
205L38.3Very low34Very low174 Ų174128.8 Ų128.891%0.91182%0.824SS**  -176.8166.4117-126.367.6000112.8
206G31.7Very low33.7Very low68 Ų68129.3 Ų129.370%0.70183%0.83SS**  trans99.380.6134.300000118.2
207S34.3Very low33.8Very low113 Ų113130 Ų13079%0.7983%0.833SS**  trans-46.6169.5160.1-42.50000116.2
208Q37.6Very low33.7Very low193 Ų193132.3 Ų132.390%0.90283%0.83SS**  trans86.5160168.2-54.1-172.234.400116.7
209A32.6Very low33.8Very low73 Ų73132.9 Ų132.960%0.60383%0.831SS**  cis178.1161-38.600000107.6
210L34.7Very low33.7Very low167 Ų167127.8 Ų127.887%0.87483%0.828SS**  trans63.7137.3-179-76.761.8000113.3
211A32.6Very low33.8Very low91 Ų91122.8 Ų122.875%0.75283%0.826SS**  cis100.5130.825.800000114.2
212A30.3Very low33.9Very low105 Ų105127 Ų12787%0.86883%0.831SS**  trans48.9114.5160.400000120
213A36.7Very low33.9Very low99 Ų99131 Ų13182%0.81883%0.831SS**  -154.5128120.600000111.4
214T33.2Very low34Very low148 Ų148132.9 Ų132.991%0.90883%0.831SS**  trans-86.2119162.146.80000109.1
215A37.3Very low35.4Very low91 Ų91131 Ų13175%0.75283%0.828SS**  trans-14992.4171.400000111
216S33Very low36Very low120 Ų120128 Ų12884%0.83982%0.819SS**  trans-82.9116.6166.550.70000109.6
217L35.7Very low35.9Very low174 Ų174133.2 Ų133.291%0.91183%0.825SS**  trans-121.4138.3163.4-76.4177000109.7
218N36.7Very low35.8Very low153 Ų153132.1 Ų132.182%0.81882%0.823SS**  trans-130.6109.9-176.1166.5101.8000107.5
219E30.6Very low35.6Very low190 Ų190127.7 Ų127.789%0.88881%0.813SS**  trans-150.9153.5155.4-138.5-179.4135.600112.6
220S34Very low35.7Very low118 Ų118131.7 Ų131.783%0.82582%0.824SS**  trans-85150.9-179.2-50.40000111.5
221G33.2Very low35.6Very low79 Ų79131.3 Ų131.381%0.81482%0.817SS**  trans-167.3104.8172.500000113
222M34.8Very low35.4Very low185 Ų185136.9 Ų136.991%0.91182%0.819SS**  trans-87.4125.9177.1-64.6-140.5-62.100111.7
223L31.6Very low35.6Very low174 Ų174139 Ų13991%0.91182%0.816SS**  trans-144.1151.4163.3-74.8-179.1000112
224S33.7Very low35.5Very low116 Ų116140.3 Ų140.381%0.81181%0.813SS**  trans-162.3170.4179.1-580000108.9
225P60.9Low35.5Very low120 Ų120139 Ų13978%0.77981%0.805SS**  cis-101.5-93-1423.7-2.5000111.6
226P50.3Low35.4Very low112 Ų112140.4 Ų140.473%0.72781%0.808SS**  cis-124.3140.4-9.936.3-17.5000117.5
227Q30Very low35.3Very low177 Ų177138.4 Ų138.483%0.82781%0.807SS**  trans31.5144.2139.3-70.3-66.7-33.800125.4
228A31.7Very low35.2Very low89 Ų89134.2 Ų134.274%0.73681%0.806SS**  trans78.9144.714800000120.7
229S34.7Very low35Very low101 Ų101130.4 Ų130.471%0.70680%0.803SS**  cis-168.9-177.2-16.458.60000112.6
230L34.4Very low35.1Very low156 Ų156127.1 Ų127.182%0.81780%0.801SS**  trans75.8132.3178.9-46.1178.5000113.8
231H31.5Very low34.9Very low159 Ų159130.3 Ų130.374%0.73680%0.803SS**  cis-157.1176.69.1-140169.9000107.4
232R29.3Very low34.7Very low209 Ų209137.4 Ų137.479%0.78981%0.805SS**  cis-159.5173.75-164.2164.5-171.4-157.80.8110
233N34.8Very low35.7Very low150 Ų150132.9 Ų132.980%0.80279%0.789SS**  trans-71.7170.1176.4-8512.2000114.1
234V34.3Very low35.7Very low126 Ų126130.5 Ų130.576%0.76478%0.782SS**  -163.714960.9167.90000113.8
235V33.1Very low35.8Very low121 Ų121130.1 Ų130.173%0.73378%0.78SS**  trans68.2113.8167.3157.50000116.1
236S35.2Very low34.6Very low119 Ų119129.8 Ų129.883%0.83279%0.787SS**  80.6125.856-630000113.6
237G31.5Very low33.7Very low79 Ų79128 Ų12881%0.81479%0.789SS**  cis-154.3174-7.800000108.7
238G32.1Very low33.9Very low86 Ų86125.7 Ų125.789%0.88779%0.792SS**  cis99.5121.925.800000110.2
239G32.6Very low34Very low72 Ų72126.5 Ų126.574%0.74280%0.799SS**  cis-158.2150.9-7.200000108.8
240S32.9Very low33.8Very low122 Ų122125.7 Ų125.785%0.85381%0.807SS**  57.1115.178.7-167.60000115.5
241Q30.1Very low33.7Very low185 Ų185121.5 Ų121.586%0.86480%0.801SS**  trans-167.7165.6143.5-98.4-55.1-14.700111.2
242R29.6Very low33.7Very low227 Ų227122.2 Ų122.286%0.85781%0.807SS**  trans-117.4-165.6-174.2-127-177.1156.2-165.1-3.4109.1
243P54.7Low34.1Very low90 Ų90119.3 Ų119.358%0.58481%0.806SS**  cis-136.1179.2-29.232.9-11.7000115.5
244T32Very low33.9Very low125 Ų125118.2 Ų118.277%0.76780%0.801SS**  trans68.4128.1143.340.10000125.4
245S35Very low33.9Very low108 Ų108117.8 Ų117.876%0.75580%0.798SS**  trans76122.3133.2640000124
246A36.4Very low34.4Very low112 Ų112118.1 Ų118.193%0.92680%0.801SS**  trans63.7129.8141.500000121.1
247G30.8Very low34.1Very low76 Ų76119 Ų11978%0.78480%0.796SS**  trans165.4140.8167.400000112.7
248S35.6Very low34.5Very low127 Ų127123.4 Ų123.489%0.88880%0.8SS**  trans-139.9127.4172.2-58.30000109.6
249A33.3Very low34.5Very low107 Ų107123.2 Ų123.288%0.88479%0.785SS**  trans164.1142.2148.600000112.4
250G30.3Very low35.1Very low84 Ų84126 Ų12687%0.86679%0.788SS**  trans77.7147.3160.200000117.4
251G32.8Very low36.3Very low68 Ų68125.1 Ų125.170%0.70178%0.779SS**  cis163.9158.3-8.200000113.3
252M31.8Very low36.5Very low174 Ų174122.1 Ų122.186%0.85778%0.778SS**  trans70.6148.5-179.2-51.2-178.868.300114.3
253L37.8Very low36.6Very low147 Ų147114.6 Ų114.677%0.7777%0.771SS**  cis-118.3133.613.3-68.2158.6000110.7
254D30.6Very low35.6Very low128 Ų128115.9 Ų115.968%0.68479%0.789SS**  77.3106.894.7-143.8-57.7000113.1
255T34.6Very low35.5Very low116 Ų116113.5 Ų113.571%0.71279%0.79SS**  -164.6153.287.525.20000114.9
256T41.7Very low35.3Very low129 Ų129114.1 Ų114.179%0.79179%0.794SS**  trans58.480.5157.953.70000120.9
257D29.5Very low35.2Very low137 Ų137114.1 Ų114.173%0.73379%0.787SS**  18.8123.7117.9-164.48.3000120.9
258L41.2Very low36.7Very low172 Ų172116.5 Ų116.590%0.90179%0.789SS**  -158.7153124.6-109.9170.1000110.5
259S31.8Very low36.6Very low81 Ų81115.8 Ų115.857%0.56679%0.791SS**  trans-131.2138.5-153.959.80000113.8
260V44.3Very low36.5Very low132 Ų132113.9 Ų113.980%0.878%0.781SS**  86.2141.3104.7157.50000115
261P58.4Low36.6Very low102 Ų102118.4 Ų118.466%0.66279%0.786SS**  cis-149-169.9-24.743.6-23.8000116.9
262S35Very low36.5Very low123 Ų123118.6 Ų118.686%0.8679%0.787SS**  trans73.5147.4145.2-65.10000121.8
263G31.8Very low36.6Very low68 Ų68119.7 Ų119.770%0.70179%0.788SS**  cis172.2173.7-5.900000115.6
264A32.7Very low36.7Very low117 Ų117118.2 Ų118.297%0.96779%0.785SS**  trans65.3150.6-17600000116.1
265G30.3Very low37Very low75 Ų75119.5 Ų119.577%0.77379%0.792SS**  cis171.4168.5-3.800000108.8
266S31.6Very low37.8Very low122 Ų122120 Ų12085%0.85380%0.797SS**  cis-162.8-177-6.655.90000110.2
267S33.5Very low37.5Very low112 Ų112125.7 Ų125.778%0.78380%0.804SS**  trans-117.5-175.9179.4-29.90000111.6
268P61.5Low37.5Very low125 Ų125122.9 Ų122.981%0.81281%0.807SS**  cis-137.6165.5-14.639.9-23.4000116.2
269A33.5Very low37Very low112 Ų112120.3 Ų120.393%0.92680%0.804SS**  trans160.1152.1148.200000110.4
270G31.1Very low38.2Very low67 Ų67121.9 Ų121.969%0.69181%0.812SS**  cis174142.1-9.800000111.5
271N33.5Very low37.4Very low180 Ų180120.3 Ų120.396%0.96381%0.807SS**  trans64.7151.2178.7-55.7-2000117
272G30.7Very low36.2Very low71 Ų71122.5 Ų122.573%0.73281%0.812SS**  cis-179.7129.7-9.700000114.6
273F34.3Very low36.1Very low197 Ų197124 Ų12486%0.86481%0.81SS**  trans4.5114.7162.2-82.4-114.8000120.7
274V38.1Very low35.9Very low117 Ų117126.2 Ų126.271%0.70982%0.815SS**  76.1133.882.8-42.90000119.2
275N36.9Very low35.8Very low154 Ų154127.1 Ų127.182%0.82481%0.808SS**  trans37.1150.9138-80.116.5000122.6
276P53Low36.8Very low128 Ų128128.7 Ų128.783%0.83181%0.805SS**  -153.1-165.752.943.7-21.5000118.2
277R34.2Very low36.8Very low248 Ų248128.8 Ų128.894%0.93681%0.806SS**  trans-93.1152.4178.884.7-172-163-137.73.2112.8
278G29.7Very low36.9Very low78 Ų78127 Ų12780%0.80481%0.805SS**  trans-178.1154.9169.900000114.6
279S30.2Very low35.8Very low118 Ų118128.9 Ų128.983%0.82581%0.808SS**  trans-151172.2176.663.20000108.7
280P57.7Low35.8Very low113 Ų113126.7 Ų126.773%0.73480%0.796SS**  cis-130.5-154.4-5.533.2-9.9000112.5
281S28.1Very low36.4Very low99 Ų99132 Ų13269%0.69281%0.808SS**  trans95.9129.7144-71.70000123.5
282L33.4Very low36.4Very low148 Ų148126.6 Ų126.678%0.77580%0.795SS**  trans75.5109.8142.8-63.2166.2000122.8
283L31.9Very low36.9Very low154 Ų154132.9 Ų132.981%0.80680%0.802SS**  59.4143.5127.6-67.3174.9000123.8
284S27.8Very low36.9Very low116 Ų116129.6 Ų129.681%0.81180%0.798SS**  trans100.9126.5150.3-59.10000120.2
285T30.6Very low37Very low135 Ų135131.8 Ų131.883%0.82880%0.802SS**  trans-90.4-170.4166.252.10000109.2
286P51.1Low37.5Very low108 Ų108130.4 Ų130.470%0.70180%0.801SS**  cis-140.8-173.44.944.5-25.7000117.2
287S32.8Very low36.5Very low125 Ų125129.1 Ų129.187%0.87479%0.792SS**  trans67.9148.9161.8-58.50000117.6
288G35.7Very low36.4Very low74 Ų74127 Ų12776%0.76379%0.789SS**  cis169.6173.4-2.800000109.2
289N36.6Very low36.8Very low165 Ų165128.2 Ų128.288%0.88279%0.785SS**  cis-165.1146.4-7.8-164.532.7000111.3
290G34.4Very low37.4Very low65 Ų65128.4 Ų128.467%0.6778%0.784SS**  trans95.7158.9155.800000120.3
291L43.5Very low37.2Very low179 Ų179128.7 Ų128.794%0.93779%0.785SS**  cis-166.4139.7-16.6-126.4176.6000113
292G33.8Very low37.9Very low67 Ų67129.5 Ų129.569%0.69179%0.788SS**  trans115.2135.1166.200000115
293K40.4Very low38.7Very low203 Ų203128.6 Ų128.688%0.88379%0.792SS**  cis-139.5142-2.7-86.1-176175.4178.40111.5
294V35.1Very low38.8Very low128 Ų128125.3 Ų125.378%0.77680%0.795SS**  trans-2.1131.2162.8-68.40000120.1
295M39.9Very low39.1Very low163 Ų163123.8 Ų123.880%0.80380%0.797SS**  86.8152.454.1-84.4-162.9174.900114.7
296P46.9Very low39.3Very low124 Ų124125.1 Ų125.181%0.80580%0.799SS**  cis-133.2177.925.343.6-27000119.1
297T33.4Very low38.5Very low102 Ų102129.2 Ų129.263%0.62681%0.811SS**  trans-78.4160.8-177.6530000115.3
298K31.6Very low38.6Very low203 Ų203126.5 Ų126.588%0.88380%0.803SS**  -178163.2108.9-102.3176.5179.2178.70115.6
299S38.6Very low38.8Very low104 Ų104132.2 Ų132.273%0.72781%0.813SS**  trans-90.8156.3-178.851.80000114.3
300P41.7Very low38.8Very low122 Ų122128 Ų12879%0.79281%0.808SS**  trans-85.3160.9164.634.7-33.1000113.3
301P53.4Low38.8Very low118 Ų118129.1 Ų129.177%0.76681%0.806SS**  trans-117178.6-169.643.3-33.9000115.3
302P44.3Very low38.6Very low116 Ų116130.8 Ų130.875%0.75380%0.8SS**  trans-92.9-164164.543.3-37.7000110.8
303P49Very low38.9Very low130 Ų130137 Ų13784%0.84481%0.808SS**  -127.8158-92.537.3-20000116.2
304G34.9Very low38.8Very low85 Ų85133.7 Ų133.788%0.87681%0.807SS**  trans136.1154.5157.200000116.7
305G34.2Very low39Very low83 Ų83134.5 Ų134.586%0.85681%0.807SS**  trans118.7100.7166.100000116.4
306N34.2Very low39Very low163 Ų163134.8 Ų134.887%0.87281%0.811SS**  trans-60.9142.5175.6-86.5-6.7000114.3
307M34.7Very low39.2Very low194 Ų194139.2 Ų139.296%0.95681%0.811SS**  -176.5154.5103.8-95-167.7-169.900112.2
308G34.9Very low39.7Very low69 Ų69141.4 Ų141.471%0.71182%0.824SS**  trans107.5111.7162.200000117.8
309M39.1Very low40.4Very low194 Ų194137.4 Ų137.496%0.95682%0.817SS**  trans36.2145.9149.2-86.454.9147.800123.5
310G36.3Very low40.7Very low77 Ų77139.6 Ų139.679%0.79482%0.819SS**  trans92.6108156.200000115.1
311S35.7Very low41Very low88 Ų88139 Ų13962%0.61582%0.815SS**  trans-117.4131.2-172.8-76.10000114.8
312R38.8Very low40.8Very low214 Ų214139.2 Ų139.281%0.80882%0.816SS**  52.6114124.6-54.9159.1-132.3-107-3.8116.3
313K39Very low40.4Very low198 Ų198139.7 Ų139.786%0.86182%0.822SS**  53.4118.179.4-68.6-169.7175.8-173.60113.5
314P39.4Very low39.9Very low133 Ų133138.3 Ų138.386%0.86482%0.815SS**  trans-76.7145166.733.7-33.3000110.6
315D38.1Very low40Very low145 Ų145144.6 Ų144.678%0.77582%0.819SS**  trans-149131.2169.7-169.29.3000107.5R317D315-R317 PolarHBondContact O-N 3.24Å
316L40.7Very low39.8Very low169 Ų169144.2 Ų144.289%0.88582%0.815SS**  trans-79.3123.9-170.9-87.183.1000110.5
317R50.6Low39.9Very low217 Ų217145.7 Ų145.782%0.81982%0.819SS**  trans-126.3135.3166.7-70.3-168.8-76.8178.4-3.2110.3D315D315-R317 PolarHBondContact O-N 3.24Å
318V45.3Very low40.2Very low147 Ų147144.2 Ų144.289%0.89181%0.812SS**  trans-65.5130.9175.8179.20000108.8
319V44.6Very low40.8Very low120 Ų120146.7 Ų146.773%0.72782%0.815SS**  trans-115.8119.7-179176.60000109.9
320I46.2Very low41.6Very low150 Ų150142.5 Ų142.577%0.76980%0.803SS**PPolyproline II helixtrans-90.1127.9161.3-58.2174.1000106.7
321P47.7Very low41.4Very low109 Ų109146.3 Ų146.371%0.70880%0.804SS**PPolyproline II helixtrans-73.7134.2-17828.9-34000111.8
322P48.7Very low41.2Very low122 Ų122148.8 Ų148.879%0.79281%0.81SS**PPolyproline II helixtrans-83.8150.5177.533.3-34.6000113
323S36.7Very low41Very low127 Ų127144.6 Ų144.689%0.88881%0.808SS**PPolyproline II helixtrans-70.1153.4171.7179.40000112.6
324S38.4Very low40.8Very low100 Ų100143.9 Ų143.970%0.69981%0.808SS**  trans-125.5122.9179.262.40000112.9
325K36Very low40.4Very low217 Ų217148.3 Ų148.394%0.94381%0.808SS**  trans34.1120.6148.8-55.7176.7-178.6178.30118.1
326G31.6Very low40.3Very low76 Ų76148.4 Ų148.478%0.78481%0.807SS**  cis128.3146.20.500000112.6
327M35.4Very low39.8Very low194 Ų194145.7 Ų145.796%0.95680%0.802SS**  trans-159.9146.9170.6-103.3157.169.400109.2
328M40.8Very low39Very low163 Ų163140.5 Ų140.580%0.80380%0.799SS**  trans-129.7148.3177.5-74.9-71.6-66.800109.7
329P47.3Very low38.4Very low121 Ų121138.6 Ų138.679%0.78679%0.792SS**  -116.4168.4123.1-8.928.6000113.4
330P56.6Low38Very low106 Ų106142 Ų14269%0.68880%0.8SS**  trans-113.6-166.2-162.843.4-35000115.4
331L31.6Very low37.4Very low156 Ų156140.7 Ų140.782%0.81780%0.804SS**  trans75.9148.7-176.6-97.671000115.2
332N30.9Very low37Very low141 Ų141141.6 Ų141.675%0.75481%0.808SS**  cis-139.2164.82.2-162.77.9000111.8
333T36.3Very low36.4Very low125 Ų125144 Ų14477%0.76781%0.809SS**  trans-100.3121.8176.9-590000111.6
334Q34.2Very low36.6Very low183 Ų183143.3 Ų143.386%0.85580%0.801SS**  trans-152.7146.8149.8-126.4171.18.900114.6
335R31.9Very low36.6Very low226 Ų226146.7 Ų146.785%0.85381%0.811SS**  trans-107.8123.5-178168-145.9-60.2-138.1-0.4108.6
336I35Very low36.8Very low147 Ų147141 Ų14175%0.75480%0.804SS**  trans-143.4149159-83.4109.1000108.6
337S31.2Very low37.4Very low112 Ų112143.2 Ų143.278%0.78380%0.803SS**  trans-105.8137.4179.1-48.90000111.2
338S32.6Very low38Very low108 Ų108139.8 Ų139.876%0.75580%0.795SS**  trans-164.5118.8157.254.70000114.4
339S33.1Very low38Very low108 Ų108138.1 Ų138.176%0.75579%0.793SS**  trans30.7121.9137.9-51.90000122.8
340Q34.9Very low37.6Very low190 Ų190138.2 Ų138.289%0.88879%0.792SS**  trans40.8117.3130.6-58.2-173.45200120.7
341S35.4Very low36.8Very low123 Ų123138 Ų13886%0.8679%0.792SS**  -161.3156.9118.550.50000110.7
342T37.5Very low37.2Very low129 Ų129136.7 Ų136.779%0.79179%0.791SS**  trans-107.5125.6-17548.70000111.9
343Q37.4Very low37.6Very low171 Ų171136 Ų13680%0.79979%0.791SS**  trans-143.4129.5162.8-74.4-61.4-15.500110.3
344P41.6Very low37.9Very low114 Ų114135.6 Ų135.674%0.7479%0.789SS**PPolyproline II helixtrans-81.3147171.933.4-32.8000111.2A346P344-A346 PolarHBondContact O-N 2.91Å
345L36.9Very low38.1Very low170 Ų170132.9 Ų132.989%0.8979%0.787SS**PPolyproline II helixtrans-75.1116.2173.8-80.672.9000109.9
346A40.2Very low38.3Very low97 Ų97127.7 Ų127.780%0.80279%0.786SS**PPolyproline II helixtrans-78.9123.8172.100000110.8P344P344-A346 PolarHBondContact O-N 2.91Å
347T44.5Very low38.8Very low124 Ų124128.5 Ų128.576%0.76179%0.791SS**PPolyproline II helixtrans-81.6130.6167.345.60000109.8V349T347-V349 PolarHBondContact O-N 2.86Å
348P47.5Very low39.4Very low122 Ų122128.2 Ų128.279%0.79279%0.787SS**PPolyproline II helixtrans-71.1120.1178.227.8-33.1000110.8
349V40.8Very low39.9Very low127 Ų127129.2 Ų129.277%0.7779%0.79SS**PPolyproline II helixtrans-78.5126.4168.5173.90000108.8T347T347-V349 PolarHBondContact O-N 2.86Å
350V38.5Very low40.2Very low124 Ų124133.1 Ų133.175%0.75280%0.796SS**  trans-93.7103.1173.6-179.40000109
351S40.1Very low40.2Very low100 Ų100127.2 Ų127.270%0.69979%0.787SS**  trans-75.5120.6173-61.20000110.7T353S351-T353 PolarHBondContact O-N 3.3Å
352V41.5Very low40.2Very low130 Ų130129.3 Ų129.379%0.78879%0.787SS**  trans-94.793.2176.9-170.30000109.3T354V352-T354 PolarHBondContact O-N 3.37Å
353T39.6Very low40Very low125 Ų125128.8 Ų128.877%0.76778%0.784SS**  trans-80.9110.1-178.1-47.80000111.1S351S351-T353 PolarHBondContact O-N 3.3Å
354T41Very low39.6Very low117 Ų117130.8 Ų130.872%0.71879%0.786SS**  trans-69.9126.9173.5470000111.7V352 S356V352-T354 PolarHBondContact O-N 3.37Å; T354-S356 PolarHBondContact O-N 3.27Å
355P39Very low39Very low126 Ų126129.8 Ų129.882%0.81878%0.781SS**  trans-76.5112.317530-32.9000111.1
356S35.6Very low38.8Very low117 Ų117124.9 Ų124.982%0.81877%0.771SS**PPolyproline II helixtrans-81.5117.3174.855.10000111.5T354T354-S356 PolarHBondContact O-N 3.27Å
357L46.3Very low38.6Very low164 Ų164127.8 Ų127.886%0.85977%0.77SS**PPolyproline II helixtrans-84.2142.4171.1-73.8168.6000111.3
358P43.1Very low38.7Very low107 Ų107127.3 Ų127.370%0.69577%0.77SS**PPolyproline II helixtrans-79.4144.7178.832.5-34.8000112
359P42.9Very low37.8Very low128 Ų128128.4 Ų128.483%0.83177%0.774SS**PPolyproline II helixtrans-79.1136.1174.731.7-33.5000111.9
360Q39.3Very low37.4Very low190 Ų190126.2 Ų126.289%0.88877%0.769SS**  trans-123.6140.8158.4-64.8-1677.100108.8
361G35.8Very low37Very low66 Ų66131.6 Ų131.668%0.6878%0.778SS**  trans-85.7-175.5165.500000111.2
362L35.5Very low36.9Very low168 Ų168132.8 Ų132.888%0.8878%0.776SS**  cis-155.2-171.113.4-85.1174.1000109.4
363V32Very low36.9Very low118 Ų118132.6 Ų132.672%0.71578%0.778SS**  trans93.297.7147-159.20000119.2
364Y29Very low36.8Very low213 Ų213130.2 Ų130.284%0.83577%0.77SS**  trans62.9164.2147.9-81-112.5000118.8
365S30.9Very low36.6Very low93 Ų93132.7 Ų132.765%0.6577%0.774SS**  cis-138.7152.27.6-164.40000112.3
366G32.1Very low36.9Very low66 Ų66136.7 Ų136.768%0.6877%0.774SS**  trans-137.8132.717000000110.6
367M35.8Very low36.7Very low158 Ų158137 Ų13778%0.77878%0.777SS**  trans-138153.7-176.6-71.6-65155.900110.5
368P46.9Very low36.4Very low115 Ų115137.2 Ų137.275%0.74778%0.778SS**  trans-122.8163.1-130.741.2-32.9000116.3
369T29Very low36.2Very low144 Ų144136.8 Ų136.888%0.88378%0.777SS**  trans-174.1146149.4-82.80000109.6
370A30.9Very low36.3Very low81 Ų81136.5 Ų136.567%0.66978%0.778SS**  cis-169.4129.7-4100000107.8
371Y31.6Very low36.5Very low238 Ų238130.5 Ų130.593%0.93376%0.761SS**  trans-167.7159.1138-128-95.2000111.4
372N37.7Very low36.7Very low124 Ų124133.8 Ų133.866%0.66376%0.763SS**  trans-76.5150177.4-123.5-48.5000110.6A374N372-A374 PolarHBondContact OD1-N 3.07Å
373P41.9Very low37Very low127 Ų127133.6 Ų133.683%0.82576%0.761SS**  -138135.878.636.6-22.5000115.1
374A37.4Very low37.5Very low74 Ų74133.6 Ų133.661%0.61277%0.766SS**  trans-81.2138162.200000109.9N372N372-A374 PolarHBondContact OD1-N 3.07Å
375E36.3Very low38.1Very low169 Ų169127.7 Ų127.779%0.7976%0.756SS**  trans178.5161.2132.2-95.8161.8-135.400108.6
376Y44.4Very low38.5Very low210 Ų210131.3 Ų131.382%0.82477%0.767SS**  trans63.565.7-178.2-57.5-77.9000117.6
377S32.8Very low38.9Very low125 Ų125137.8 Ų137.887%0.87478%0.78SS**  trans-66.5131.8149.3-57.70000110.2
378L38.8Very low38.7Very low168 Ų168132.8 Ų132.888%0.8877%0.769SS**  trans-112.4143.4165.2-73.1177.9000110.6
379S40Very low38Very low97 Ų97137.4 Ų137.468%0.67878%0.778SS**  trans-82.8142.1-171.4-169.30000112.2A381S379-A381 VanDerWaalsContact C-N 3.3Å; S379-A381 PolarHBondContact O-N 3.3Å
380S43.7Very low38.1Very low123 Ų123136 Ų13686%0.8677%0.774SS**THydrogen-bonded Turntrans-77.375.5175.958.70000111.6
381A43.9Very low38.1Very low63 Ų63137.8 Ų137.852%0.52178%0.782SS.*THydrogen-bonded Turntrans-130.9-35.9175.900000113.6S379 I383S379-A381 VanDerWaalsContact C-N 3.3Å; S379-A381 PolarHBondContact O-N 3.3Å; A381-I383 VanDerWaalsContact C-N 3.34Å; A381-I383 PolarHBondContact O-N 2.88Å
382D40.2Very low38.7Very low136 Ų136132.6 Ų132.673%0.72778%0.777SS**THydrogen-bonded Turntrans-84.24.6-164.9-57.8-56.8000116.1S384D382-S384 VanDerWaalsContact C-N 3.29Å
383I42.7Very low38.2Very low163 Ų163130.1 Ų130.184%0.83678%0.78SS**THydrogen-bonded Turntrans-84.7-5.7179.6-52.7178.8000111.5A381 S385A381-I383 VanDerWaalsContact C-N 3.34Å; A381-I383 PolarHBondContact O-N 2.88Å; I383-S385 PolarHBondContact O-N 3.31Å
384S41.9Very low37.7Very low118 Ų118132.9 Ų132.983%0.82579%0.787SS**SBendtrans-95.631.4-175.5-63.90000114.7D382D382-S384 VanDerWaalsContact C-N 3.29Å
385S41.5Very low37.5Very low90 Ų90135.2 Ų135.263%0.62980%0.799SS**  trans-148.473.4-179.651.20000114.3I383I383-S385 PolarHBondContact O-N 3.31Å
386L39.2Very low37.3Very low168 Ų168135.5 Ų135.588%0.8881%0.805SS**  trans-177.381.2143.2-100.7160.9000111.6
387Q40.1Very low36.6Very low202 Ų202128.8 Ų128.894%0.94480%0.8SS**  trans-92.9133151.3-81.1-161.9-1500109
388G31.1Very low36.5Very low54 Ų54128.2 Ų128.256%0.55780%0.796SS**  trans120.797.4171.100000113.9
389F33.6Very low36.1Very low212 Ų212128.4 Ų128.493%0.9379%0.794SS**  -169.2110.2117.9-102.2-66.3000109.4
390S31Very low35.9Very low114 Ų114129.3 Ų129.380%0.79780%0.8SS**  trans-98.6142.2169.549.70000109.8
391S31.5Very low35.2Very low119 Ų119127.7 Ų127.783%0.83279%0.794SS**  trans-156.8156.1166.9-85.50000110.8
392P43.2Very low34.6Very low129 Ų129136.5 Ų136.584%0.83882%0.815SS**  trans-113.5162.7-14939.9-32.1000114.4
393G28.2Very low34.2Very low71 Ų71136.9 Ų136.973%0.73281%0.812SS**  trans165.19416200000116.1
394L31.5Very low33.8Very low185 Ų185138.4 Ų138.497%0.96982%0.815SS**  trans145.7117.6130.6-77.1175.7000111.4
395S31.3Very low33.4Very low123 Ų123138.9 Ų138.986%0.8680%0.804SS**  trans-97.5142.2178.543.70000111.3
396L32.4Very low32.9Very low176 Ų176141.7 Ų141.792%0.92181%0.808SS**  trans-140.2134174.8-173.867.3000110.8
397G30.2Very low32.6Very low68 Ų68141.9 Ų141.970%0.70181%0.808SS**  trans62.582.5155.400000117.6
398S30.1Very low32.2Very low114 Ų114135.7 Ų135.780%0.79780%0.799SS**  trans-71133.2157.6-1770000110.2
399M31.9Very low32.2Very low172 Ų172142.7 Ų142.785%0.84782%0.818SS**  trans-133.6150.7164.4-86.9-71.1107.100109.1
400S35Very low32.2Very low115 Ų115137 Ų13780%0.80481%0.81SS**  trans-70.5149-156.6-53.90000115.4
401A29.9Very low32.3Very low89 Ų89136 Ų13674%0.73681%0.808SS**  trans-66.6158.116700000112.3
402W30.3Very low32.3Very low249 Ų249138.9 Ų138.994%0.94381%0.813SS**  trans-155.2147.3140.5-104.994.9000111.4
403Q32.9Very low31.6Very low143 Ų143139.9 Ų139.967%0.66881%0.812SS**  trans-41.7146.6-177.8-141.578.8-14.900117.6
404Q33.5Very low31.6Very low195 Ų195141.5 Ų141.591%0.91181%0.812SS**  -163.7152.6110.4-159.1140.8-81.700114.8
405H33Very low31.7Very low128 Ų128140.8 Ų140.859%0.59381%0.808SS**  trans-52.8140.7-168.9-95-139.1000122.6
406Q31.8Very low31.6Very low150 Ų150141.8 Ų141.870%0.70181%0.808SS**  55.1142.3117.4-61.7-178-13.200124.8
407L33.1Very low31.4Very low171 Ų171136.8 Ų136.890%0.89580%0.8SS**  trans93.1135155.4-109.174.1000117
408G31.2Very low31.3Very low73 Ų73137 Ų13775%0.75380%0.801SS**  cis-167.5171.2-2.100000110.8
409Q31.4Very low31.3Very low201 Ų201136.9 Ų136.994%0.93980%0.801SS**  trans-98.8138.6-169.6-64.9175.7-21.900115
410A34.1Very low31.2Very low93 Ų93137.6 Ų137.677%0.76980%0.802SS**  trans171.7127.3140.400000107.7
411A31.6Very low31.2Very low93 Ų93139.4 Ų139.477%0.76980%0.802SS**  cis71.8103.830.200000115
412L32.5Very low32Very low179 Ų179140 Ų14094%0.93780%0.798SS**  -168.5165.4123.4-99.1178.1000111.1
413N28.5Very low32.1Very low149 Ų149137 Ų13780%0.79780%0.795SS**  trans-104.9157.3-165.5-81-23.4000114.7
414S28.5Very low31.9Very low105 Ų105133.7 Ų133.773%0.73480%0.798SS**  trans44130142.2-55.50000121.8
415L31.8Very low31.9Very low171 Ų171130.5 Ų130.590%0.89580%0.797SS**  -159.2176.5104.4-134.766.2000113.7
416V29.7Very low31.7Very low143 Ų143131 Ų13187%0.86781%0.805SS**  trans-110.9148.7-172.6168.30000110.5
417G29.2Very low31.7Very low72 Ų72131.9 Ų131.974%0.74281%0.813SS**  trans158.2111.3154.500000119.8
418G28.5Very low31.8Very low71 Ų71128.7 Ų128.773%0.73281%0.805SS**  73.290.7124.100000122.7
419S28.8Very low31.8Very low112 Ų112132.5 Ų132.578%0.78381%0.807SS**  36.1122.6127.759.90000122.7
420H30.9Very low31.8Very low187 Ų187128.4 Ų128.487%0.86680%0.8SS**  -175.8167111.855.8-78.4000113.9
421L35.3Very low31.6Very low154 Ų154130.3 Ų130.381%0.80680%0.802SS**  trans-90.7173.1172.6-118.674.8000110.3
422P44.8Very low31.6Very low100 Ų100130.6 Ų130.665%0.64980%0.799SS**  cis-151.2174.437.843.5-22.3000120
423Q34Very low31.6Very low188 Ų188130.8 Ų130.888%0.87980%0.795SS**  trans58.4139.6142.4-75.8169.5-7.700124.2
424G27.7Very low31.6Very low72 Ų72128.4 Ų128.474%0.74279%0.79SS**  trans91.8137.7160.800000114.9
425S33.2Very low31.9Very low128 Ų128131.1 Ų131.190%0.89580%0.795SS**  cis-148.9164.314.4-690000112.1
426N29.5Very low32Very low140 Ų140129.4 Ų129.475%0.74979%0.786SS**  trans-100.2134.3177.8-172.3-59.7000110.9
427L31.3Very low32.4Very low167 Ų167130.8 Ų130.887%0.87479%0.787SS**  trans-140.4124.9165.2-82.1176.6000110.1
428S35.3Very low32.6Very low104 Ų104136.5 Ų136.573%0.72779%0.792SS**  trans-118.4129173.651.90000109.8
429I30.7Very low33.3Very low154 Ų154138.3 Ų138.379%0.7979%0.793SS**  trans-135127.8170-62.5-177.1000108T431I429-T431 HydrophobicContact CG2-CG2 4.33Å
430S32Very low34.3Very low115 Ų115141.7 Ų141.780%0.80480%0.796SS**  trans-99.2130.1171.1177.80000109.3
431T30.5Very low35Very low132 Ų132138.9 Ų138.981%0.8179%0.794SS**  trans-138.4155.3162.754.40000109.3I429I429-T431 HydrophobicContact CG2-CG2 4.33Å
432S30.5Very low35.5Very low100 Ų100139.3 Ų139.370%0.69980%0.796SS**  trans-133.3158.6-168.858.10000112.3
433Q33.3Very low35.2Very low183 Ų183139.7 Ų139.786%0.85580%0.801SS**  trans67.6126.8175.5-47.2-176.511.700114.5
434S28.6Very low35.9Very low99 Ų99136.1 Ų136.169%0.69279%0.794SS**  177.1154.274.845.50000111.9
435I35Very low36.6Very low162 Ų162138.4 Ų138.483%0.83180%0.796SS**  trans48.6150.3155.165172.3000121
436N32.6Very low37Very low134 Ų134144.3 Ų144.372%0.71780%0.799SS**  cis-168.1124.7-20.6165.92.9000106
437I38.5Very low37.4Very low173 Ų173145.6 Ų145.689%0.88780%0.8SS**  trans-121.3121.5167.9-61.8-178.3000109.1
438K33.2Very low37.7Very low192 Ų192148.9 Ų148.984%0.83580%0.801SS**PPolyproline II helixtrans-76.8120.1-171.2170.7-177.4169.9-173.30111.5
439S43.7Very low37.6Very low109 Ų109150 Ų15076%0.76280%0.803SS**PPolyproline II helixtrans-75.9160.9172.345.50000112.9
440E50Low38Very low183 Ų183148.1 Ų148.186%0.85580%0.799SS**PPolyproline II helixtrans-75.2153.3176.4-66.6-172.3115.400112.5
441P45Very low38.1Very low127 Ų127148.6 Ų148.683%0.82580%0.799SS**PPolyproline II helixtrans-72.8129.3-178.529.3-34.6000112.4
442I45.9Very low38.6Very low164 Ų164148.1 Ų148.184%0.84180%0.801SS**PPolyproline II helixtrans-68.5144.5174.2-131.9164.6000110.5
443S38.1Very low38.6Very low108 Ų108146.3 Ų146.376%0.75580%0.799SS**PPolyproline II helixtrans-73.5136.2176.4-70.40000111.2
444P50Low38.6Very low113 Ų113147.3 Ų147.373%0.73480%0.801SS**PPolyproline II helixtrans-70.3146-177.828.3-34.8000112.3
445P40.7Very low39.4Very low120 Ų120147.8 Ų147.878%0.77980%0.801SS**PPolyproline II helixtrans-67.1141178.228.8-34.9000111.4E447P445-E447 PolarHBondContact O-N 2.84Å
446R43.3Very low40.3Very low251 Ų251145.6 Ų145.695%0.94780%0.797SS**  trans-95.485.8-175.3-163.4174.9-166.3155.43.9111.1
447E37.9Very low40.2Very low168 Ų168148.7 Ų148.779%0.78581%0.808SS**  trans-61.6151.3179-66.3-163.4144.900113.6P445 V449P445-E447 PolarHBondContact O-N 2.84Å; E447-V449 PolarHBondContact O-N 3.15Å
448R36.7Very low40.1Very low235 Ų235149.7 Ų149.789%0.88781%0.809SS**  trans-92.491.8-178-178.7-173.4-71.5148.9-2.4110.3T450R448-T450 PolarHBondContact O-N 3.44Å
449V33.8Very low41Very low129 Ų129145.6 Ų145.678%0.78280%0.802SS**  trans-77.8109.6177.2-174.60000111.2E447E447-V449 PolarHBondContact O-N 3.15Å
450T37.6Very low40.4Very low114 Ų114147.9 Ų147.970%0.69980%0.801SS**  trans-89.2126.5160.6450000109.8R448R448-T450 PolarHBondContact O-N 3.44Å
451P35.8Very low39.5Very low125 Ų125147.6 Ų147.681%0.81280%0.799SS**  trans-84130.6-179.532.2-33.2000112.3
452S39.3Very low38.7Very low121 Ų121145.2 Ų145.285%0.84680%0.798SS**  trans-153.9155.3166.565.10000112.5
453G31.7Very low38Very low63 Ų63143 Ų14365%0.64980%0.797SS**  trans150.2150.2-176.500000109
454F32.7Very low37.6Very low204 Ų204143 Ų14390%0.89580%0.797SS**  cis-173.3172.63.8-107.9-58.7000106.3
455P45Very low36.6Very low109 Ų109148.3 Ų148.371%0.70880%0.802SS**  cis-132-134.8-11.843.8-21.5000112.3
456P54Low36.1Very low115 Ų115149.7 Ų149.775%0.74780%0.798SS**  trans-135.3177.5-134.637.3-12.5000118.2
457Q30.5Very low35.5Very low199 Ų199145.4 Ų145.493%0.9379%0.789SS**  trans-163.1158.6139.8-113.9173.317.300115.7
458Q36.3Very low35.1Very low194 Ų194142.8 Ų142.891%0.90778%0.784SS**  trans-82.7-176.3-156.1-97.9-167.9-32.200117.6
459P52.7Low35Very low107 Ų107139.4 Ų139.470%0.69578%0.783SS**  trans-125.7-176.8-147.346.7-36.5000116.6
460Q30.7Very low34.8Very low157 Ų157136.9 Ų136.973%0.73478%0.782SS**  trans-163.5146145.4-118.8178.3-44.200114.9
461Q31.1Very low34.6Very low177 Ų177143.5 Ų143.583%0.82780%0.795SS**  trans40154.7143.9-69.1165.88.200121.8
462G29.2Very low34.6Very low77 Ų77143.1 Ų143.179%0.79480%0.795SS**  cis-176.6172.71.500000111.2
463S30.5Very low35Very low117 Ų117143 Ų14382%0.81879%0.791SS**  trans-110.6142.9-171.4176.20000113.7
464S31.1Very low35.2Very low108 Ų108144.6 Ų144.676%0.75580%0.798SS**  174.3149.4128.745.70000116.6
465R28.9Very low35.3Very low225 Ų225142 Ų14285%0.84979%0.794SS**  trans60.595.5146-76.2-179.9157.9-178.6-7.6123.3
466Q29.8Very low34.7Very low149 Ų149142.7 Ų142.770%0.69680%0.801SS**  54.8122.297.6-166.3171.85.600122
467E31.1Very low33.6Very low160 Ų160145.8 Ų145.875%0.74881%0.81SS**  trans69.6144.6155.4-73.8166.5-141.700119
468V29.8Very low33.7Very low113 Ų113142 Ų14269%0.68581%0.806SS**  cis-155.8153.614.799.50000113
469L33.1Very low33.6Very low165 Ų165138.3 Ų138.386%0.86480%0.801SS**  trans44.5119.1166.8-87.368.8000121.4
470G30.1Very low32.8Very low75 Ų75139.4 Ų139.477%0.77381%0.812SS**  trans-156.47.3178.200000120.9
471R34.1Very low32.8Very low253 Ų253138 Ų13896%0.95582%0.818SS**  trans64.7122.9177.7-59.8177.6177.9-104.7-0.3118
472S34.9Very low32.9Very low118 Ų118134.1 Ų134.183%0.82581%0.81SS**  trans-105.4171.4167.3-79.70000109.7
473P48.4Very low33.2Very low118 Ų118135.5 Ų135.577%0.76681%0.808SS**  cis-144152.72641.5-21.5000120.7
474A34.2Very low33.2Very low96 Ų96141.2 Ų141.279%0.79381%0.813SS**  trans36.5127.2135.200000122.9
475D34.9Very low33.4Very low151 Ų151142 Ų14281%0.80781%0.809SS**  trans-66.5148.3156.7-58.5-91.7000113.8
476S32.9Very low33.6Very low122 Ų122134.8 Ų134.885%0.85380%0.804SS**  trans-168.8110.4137.9-83.10000109.9
477L31.8Very low34Very low180 Ų180132.2 Ų132.294%0.94280%0.803SS**  trans-82.2126.3-178.1-68.4173.8000111.8
478S32.1Very low34.1Very low119 Ų119131.2 Ų131.283%0.83280%0.802SS**  trans-154.8112.5167.5-163.90000111.5
479S33.2Very low34.5Very low117 Ų117134.6 Ų134.682%0.81880%0.803SS**  trans177.9135.2151.5350000110.8
480S37.2Very low34.7Very low130 Ų130133.3 Ų133.391%0.90979%0.793SS**  trans-91.8128.9158.4-60.80000107.8
481C29.8Very low34.8Very low129 Ų129136.1 Ų136.187%0.87279%0.79SS**  trans-120.2165.4175.4-157.20000110.9
482S33.7Very low35.1Very low95 Ų95132.6 Ų132.666%0.66478%0.784SS**  trans-104.6169.4-161.660.70000114.9
483S36.2Very low34.9Very low106 Ų106137 Ų13774%0.74178%0.782SS**  trans58.5124.6141.559.20000120.2
484Y29.6Very low34Very low236 Ų236136.3 Ų136.393%0.92579%0.786SS**  trans-138.1160.2134.7-164.9-113.6000110.5
485D36.7Very low33.9Very low126 Ų126136.7 Ų136.767%0.67478%0.775SS**  trans-109.2172.8-173.3-176.863000111.1
486G32.2Very low33.7Very low72 Ų72138 Ų13874%0.74277%0.774SS**  trans177.595.5174.900000114.2
487S38Very low33.6Very low95 Ų95141.5 Ų141.566%0.66478%0.776SS**  trans-97149.4177.1-61.90000113.1
488D34Very low33.6Very low139 Ų139137.5 Ų137.574%0.74376%0.763SS**  -161.7135117.7-110.9-149.5000108.9
489R37.7Very low35Very low185 Ų185137 Ų13770%0.69876%0.757SS**  66.814267.4-56.4-179.190.7145.412.5113.2
490E36.3Very low34.9Very low138 Ų138139.8 Ų139.865%0.64576%0.762SS**  cis-148.9176.1-9.2-140.183.3109.400104.7
491D32.9Very low34.6Very low133 Ų133137 Ų13771%0.71175%0.754SS**  cis-156178.44177.237.4000108.3
492H39.5Very low34.8Very low179 Ų179139.9 Ų139.983%0.82976%0.76SS**  trans-141.5108.7173.5-88.611.9000113.6
493R32.1Very low34.5Very low212 Ų212139.3 Ų139.380%0.877%0.769SS**  trans-165.2137.2151.6-136.3175.4170.41452.3118.1D495R493-D495 IonicContact CZ-OD2 3.05Å; R493-D495 IonicContact NE-OD2 3.86Å; R493-D495 PolarHBondContact NE-OD2 2.68Å; R493-D495 IonicContact NH2-OD2 2.9Å; R493-D495 PolarHBondContact NH2-OD2 3.01Å
494A30Very low34.2Very low102 Ų102145.8 Ų145.884%0.84378%0.777SS**  trans-160.6142.6140.700000108.9
495D30.6Very low34.9Very low105 Ų105139.7 Ų139.756%0.56177%0.766SS**  trans-110.3147.9-172.9-84.5-73.2000112.2R493R493-D495 IonicContact CZ-OD2 3.05Å; R493-D495 IonicContact NE-OD2 3.86Å; R493-D495 PolarHBondContact NE-OD2 2.68Å; R493-D495 IonicContact NH2-OD2 2.9Å; R493-D495 PolarHBondContact NH2-OD2 3.01Å
496F31.9Very low35.7Very low178 Ų178139.5 Ų139.578%0.78177%0.772SS**  trans38.5128.5158.4-83.8-95.1000122.9
497H31Very low35.7Very low195 Ų195141.2 Ų141.290%0.90378%0.779SS**  -166.4167.8119.3-102.1-71000111.5
498S32Very low35.3Very low96 Ų96140.5 Ų140.567%0.67179%0.787SS**  trans-116.7-164.7-164.2-39.90000112.4
499P60.9Low35.3Very low109 Ų109139.6 Ų139.671%0.70879%0.792SS**  -127-161-59.429.9-8.2000112.9
500L31.5Very low35Very low176 Ų176140 Ų14092%0.92180%0.801SS**  trans93.2152.1162.5-52.7170.6000119
501G29.8Very low34.8Very low72 Ų72140.8 Ų140.874%0.74281%0.81SS**  trans111.585.5176.800000114.4
502L33.8Very low34.8Very low188 Ų188143.6 Ų143.698%0.98481%0.811SS**  48.8104.578.9-94.8163.3000115.3
503G29Very low34.4Very low84 Ų84141.6 Ų141.687%0.86680%0.802SS**  trans169.4102.4170.800000117.6
504R29Very low34.5Very low242 Ų242136.6 Ų136.691%0.91380%0.799SS**  trans-125.7162.8159.9-143.9-159.1161.6-167-3.8104.8
505P43.7Very low34.9Very low107 Ų107137.5 Ų137.570%0.69580%0.797SS**  cis-136.9-134.48.350.9-29.9000111.7
506P54.6Low35.1Very low123 Ų123138.4 Ų138.480%0.79981%0.811SS**  trans-128.6169-147.241-19.6000118.5
507A30.9Very low35.4Very low107 Ų107136.5 Ų136.588%0.88481%0.813SS**  trans-161.5157.5152.700000109
508G29.6Very low36Very low80 Ų80137 Ų13783%0.82581%0.813SS**  cis144.268-6.200000114.1
509S33.7Very low36.4Very low121 Ų121143.9 Ų143.985%0.84682%0.824SS**  trans-159.8143.4170.456.70000111.9
510E31.5Very low35.3Very low192 Ų192146.2 Ų146.290%0.89783%0.83SS**  trans-87.6149178.9-60.9156.588.200111.8
511D33.8Very low35.5Very low155 Ų155147.2 Ų147.283%0.82982%0.822SS**  trans-162.9174.5131-133-43.6000113
512R32.5Very low35.9Very low192 Ų192151.8 Ų151.873%0.72583%0.825SS**  trans-99.6159.4-148.6-60.2157.254.6166.4-4.4117.8
513E30.1Very low36.3Very low138 Ų138147.3 Ų147.365%0.64580%0.803SS**  111.9116.8126-142.2124.2133.500121.5
514S33.8Very low36.7Very low106 Ų106148.2 Ų148.274%0.74180%0.796SS**  trans64.3117.5144-69.60000123.1
515P40.1Very low37.6Very low122 Ų122148 Ų14879%0.79280%0.795SS**  trans-89.1143.2164.635.5-32.7000113.4V517P515-V517 PolarHBondContact O-N 3.24Å
516S34.4Very low37.6Very low123 Ų123148.9 Ų148.986%0.8680%0.798SS**  trans-86.5106.4-17854.50000113.8K518S516-K518 PolarHBondContact O-N 3.18Å
517V37.2Very low37.2Very low138 Ų138153 Ų15384%0.83682%0.822SS**PPolyproline II helixtrans-73123.3177.7178.60000111.3P515 R519P515-V517 PolarHBondContact O-N 3.24Å; V517-R519 PolarHBondContact O-N 2.8Å
518K45.3Very low37.5Very low205 Ų205155.4 Ų155.489%0.89182%0.818SS**PPolyproline II helixtrans-69.6121.2172.7-77.5-178.9176.51750110.6S516 L520S516-K518 PolarHBondContact O-N 3.18Å; K518-L520 PolarHBondContact O-N 3.46Å
519R40.1Very low37.9Very low241 Ų241159.3 Ų159.391%0.90982%0.818SS**PPolyproline II helixtrans-73.7119.3-174.8-166.3177.6-63.71741.1111.2V517V517-R519 PolarHBondContact O-N 2.8Å
520L36.2Very low38.2Very low158 Ų158161.4 Ų161.483%0.82782%0.817SS**PPolyproline II helixtrans-66.6138.2171.3-16481.2000109.9K518K518-L520 PolarHBondContact O-N 3.46Å
521R36.8Very low38.5Very low198 Ų198159.6 Ų159.675%0.74781%0.812SS**  trans-107122.6171-176.1176.9175.5112.48.8109.3D523R521-D523 WeakPolarHBondContact CD-OD2 3.41Å; R521-D523 IonicContact CZ-OD1 2.65Å; R521-D523 IonicContact CZ-OD2 3.97Å; R521-D523 VanDerWaalsContact NE-CG 3.25Å; R521-D523 IonicContact NE-OD1 2.69Å; R521-D523 PolarHBondContact NE-OD1 3.38Å; R521-D523 IonicContact NE-OD2 3.21Å; R521-D523 PolarHBondContact NE-OD2 2.66Å; R521-D523 IonicContact NH2-OD1 3.89Å; R521-D523 PolarHBondContact NH2-OD1 2.69Å
522M37.5Very low38.8Very low167 Ų167159.9 Ų159.982%0.82381%0.811SS**  trans-97.9128.8158.6-76.9-160.472.500108.5
523D43.4Very low39.3Very low95 Ų95157.8 Ų157.851%0.50882%0.817SS.*  trans-101.9110.6165.6-72.6-72.2000108.1R521R521-D523 WeakPolarHBondContact CD-OD2 3.41Å; R521-D523 IonicContact CZ-OD1 2.65Å; R521-D523 IonicContact CZ-OD2 3.97Å; R521-D523 VanDerWaalsContact NE-CG 3.25Å; R521-D523 IonicContact NE-OD1 2.69Å; R521-D523 PolarHBondContact NE-OD1 3.38Å; R521-D523 IonicContact NE-OD2 3.21Å; R521-D523 PolarHBondContact NE-OD2 2.66Å; R521-D523 IonicContact NH2-OD1 3.89Å; R521-D523 PolarHBondContact NH2-OD1 2.69Å
524S37.4Very low39.9Very low103 Ų103159.2 Ų159.272%0.7283%0.829SS**  trans-93.5124.9177.3-172.20000109.4
525W47.2Very low40.4Very low238 Ų238163.3 Ų163.390%0.90284%0.836SS**  trans-113.8113.8173.3-77.990.6000109.6
526V42.6Very low40.4Very low124 Ų124166.8 Ų166.875%0.75284%0.839SS**  trans-125.6111.9169.5171.70000107.2
527T46.9Very low41Very low211 Ų211170.7 Ų170.7100%1.29484%0.837SS**  trans-164.80142.1-65.60000106

Retrieved 527 of 527 residues in 204.8 ms (Link to these results)