A0A087XBH6_POEFO Loading...

Myocyte enhancer factor 2cb

AlphaFold DB , UniProt , Accession A0A087XBH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1M62.6Low91.1Very high244 Ų244147.1 Ų147.1100%1.20270%0.702SS**  0163.70-151.55682.500109.9
2G80.6Confident91.6Very high59 Ų59147.5 Ų147.561%0.60871%0.706SS**  trans-78.6161.4166.800000112K4G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.02Å
3R90.9Very high92.1Very high263 Ų263142.4 Ų142.499%0.99269%0.685SS**SBendtrans-68.1-24.4178.8-71.2-174.9-179.9170.7-0.9113.9
4K94.8Very high92.5Very high187 Ų187140.1 Ų140.181%0.81367%0.673SS**SBendtrans-145.2152174.2-66.6-169.9175.3-172.60109G2G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.02Å
5K93.7Very high92.9Very high165 Ų165144.5 Ų144.572%0.71768%0.68SS**  trans-65.2146.2164.2-173.2-178.3178.1-173.90108.2G95K5-G95 PolarHBondContact NZ-O 2.98Å
6I94.9Very high93.1Very high90 Ų90141.3 Ų141.346%0.46267%0.668SS.*  trans-129.1150170.268.1173.2000109.2
7Q96.1Very high93.4Very high141 Ų141135.5 Ų135.566%0.65964%0.639SS**  trans-68.2157.6170-70174.3-19.100110.7T9Q7-T9 VanDerWaalsContact C-N 3.32Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 2.96Å
8I96.3Very high93.7Very high144 Ų144133.2 Ų133.274%0.73863%0.628SS**SBendtrans-9369.9177.1-52.3-56.9000108.9
9T97.1Very high93.9Very high99 Ų99130.4 Ų130.461%0.60762%0.62SS**SBendtrans-127.6170178.954.60000110.5Q7 I11Q7-T9 VanDerWaalsContact C-N 3.32Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 2.96Å; T9-I11 PolarHBondContact O-N 3.4Å
10R96.9Very high94.1Very high173 Ų173125.9 Ų125.965%0.65360%0.602SS**  trans-65.8116.5178.2-179175.3178.5148.1-1.1110.1M12R10-M12 HydrophobicContact CG-SD 4.37Å; R10-M12 PolarHBondContact O-N 3.31Å; R10-M12 VanDerWaalsContact O-N 3.14Å
11I97.8Very high94.3Very high53 Ų53122.1 Ų122.127%0.27258%0.583SS.*  trans-65.3113.6171.5-58.6173.3000108.2T9 N16 R17 T20T9-I11 PolarHBondContact O-N 3.4Å; I11-N16 HydrophobicContact CG2-CB 4.1Å; I11-R17 HydrophobicContact CB-CB 4.04Å; I11-R17 HydrophobicContact CB-CG 4.4Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.39Å; I11-R17 PolarHBondContact O-NH1 2.66Å; I11-T20 HydrophobicContact CD1-CG2 3.75Å
12M97.8Very high96Very high152 Ų152114 Ų11475%0.74955%0.547SS*.  trans-72.4-44.6-175.3-63.3-57.9-74.800112.5R10 E14 R17R10-M12 HydrophobicContact CG-SD 4.37Å; R10-M12 PolarHBondContact O-N 3.31Å; R10-M12 VanDerWaalsContact O-N 3.14Å; M12-E14 PolarHBondContact O-N 3.42Å; M12-R17 PolarHBondContact O-NH1 3.06Å
13D97.8Very high96.8Very high81 Ų81118.6 Ų118.643%0.43355%0.55SS.*SBendtrans-61.5123.2176.4178.1-65.1000111.8R15 N16 R17D13-R15 WeakPolarHBondContact OD1-CA 3.35Å; D13-R15 WeakPolarHBondContact OD1-CB 3.25Å; D13-R15 PolarHBondContact OD1-N 2.74Å; D13-N16 HydrophobicContact CB-CB 4.12Å; D13-N16 WeakPolarHBondContact OD1-CB 3.3Å; D13-N16 PolarHBondContact OD1-N 3.14Å; D13-N16 PolarHBondContact OD1-ND2 3.37Å; D13-N16 PolarHBondContact OD2-ND2 3.31Å; D13-R17 WeakPolarHBondContact O-CB 3.29Å; D13-R17 PolarHBondContact O-N 3.48Å
14E97.8Very high97.1Very high111 Ų111112.5 Ų112.552%0.51953%0.527SS..Hα-helixtrans-63.9-43.2-175.7-164.366.6-111.600113.2M12 R17 Q18M12-E14 PolarHBondContact O-N 3.42Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-R17 IonicContact OE1-CZ 2.67Å; E14-R17 VanDerWaalsContact OE1-CZ 3.28Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 PolarHBondContact OE1-NE 3.44Å; E14-R17 IonicContact OE1-NH2 2.6Å; E14-R17 PolarHBondContact OE1-NH2 3.27Å; E14-R17 IonicContact OE2-CZ 2.68Å; E14-R17 IonicContact OE2-NH2 2.98Å; E14-R17 PolarHBondContact OE2-NH2 3.31Å; E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 3.15Å
15R98Very high97.3Very high205 Ų205105.8 Ų105.877%0.77450%0.498SS*.Hα-helixtrans-68-45.7-175.2-175.5-176.7-67.5166.5-0.9110.1D13 Q18 V19D13-R15 WeakPolarHBondContact OD1-CA 3.35Å; D13-R15 WeakPolarHBondContact OD1-CB 3.25Å; D13-R15 PolarHBondContact OD1-N 2.74Å; R15-Q18 PolarHBondContact O-N 2.98Å; R15-V19 WeakPolarHBondContact O-CB 3.33Å; R15-V19 VanDerWaalsContact O-CG2 3.32Å; R15-V19 WeakPolarHBondContact O-CG2 3.5Å; R15-V19 PolarHBondContact O-N 2.97Å
16N97.4Very high97.5Very high93 Ų93104.7 Ų104.750%0.49749%0.494SS..Hα-helixtrans-67.3-37.9175.5-70.3-43.2000111.5I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.1Å; D13-N16 HydrophobicContact CB-CB 4.12Å; D13-N16 WeakPolarHBondContact OD1-CB 3.3Å; D13-N16 PolarHBondContact OD1-N 3.14Å; D13-N16 PolarHBondContact OD1-ND2 3.37Å; D13-N16 PolarHBondContact OD2-ND2 3.31Å; N16-T20 WeakPolarHBondContact O-CB 3.5Å; N16-T20 PolarHBondContact O-N 2.99Å; N16-T20 PolarHBondContact O-OG1 3.21Å
17R98.1Very high97.7Very high44 Ų44102 Ų10217%0.16649%0.488CS..Hα-helixtrans-63.5-47.7173.7-175.3167.665.2-112.97.8111.3I11 M12 D13 E14 T20 F21I11-R17 HydrophobicContact CB-CB 4.04Å; I11-R17 HydrophobicContact CB-CG 4.4Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.39Å; I11-R17 PolarHBondContact O-NH1 2.66Å; M12-R17 PolarHBondContact O-NH1 3.06Å; D13-R17 WeakPolarHBondContact O-CB 3.29Å; D13-R17 PolarHBondContact O-N 3.48Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-R17 IonicContact OE1-CZ 2.67Å; E14-R17 VanDerWaalsContact OE1-CZ 3.28Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 PolarHBondContact OE1-NE 3.44Å; E14-R17 IonicContact OE1-NH2 2.6Å; E14-R17 PolarHBondContact OE1-NH2 3.27Å; E14-R17 IonicContact OE2-CZ 2.68Å; E14-R17 IonicContact OE2-NH2 2.98Å; E14-R17 PolarHBondContact OE2-NH2 3.31Å; R17-T20 PolarHBondContact O-N 3.13Å; R17-F21 VanDerWaalsContact O-CB 3.31Å; R17-F21 WeakPolarHBondContact O-CB 3.4Å; R17-F21 PolarHBondContact O-N 3.34Å
18Q98Very high97.8Very high93 Ų9399.6 Ų99.644%0.43548%0.479SS..Hα-helixtrans-65-44.2180-179.260.86.900112.5E14 R15 T20 F21 T22E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 3.15Å; R15-Q18 PolarHBondContact O-N 2.98Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.21Å; Q18-F21 PolarHBondContact O-N 3.36Å; Q18-T22 PolarHBondContact O-N 3.09Å; Q18-T22 PolarHBondContact O-OG1 3.04Å
19V98.1Very high97.9Very high81 Ų8193.9 Ų93.949%0.49145%0.45SS..Hα-helixtrans-63.3-40.5174.51710000111.2R15 K23R15-V19 WeakPolarHBondContact O-CB 3.33Å; R15-V19 VanDerWaalsContact O-CG2 3.32Å; R15-V19 WeakPolarHBondContact O-CG2 3.5Å; R15-V19 PolarHBondContact O-N 2.97Å; V19-K23 HydrophobicContact CG1-CD 4.17Å; V19-K23 WeakPolarHBondContact O-CG 3.35Å; V19-K23 PolarHBondContact O-N 3.15Å
20T97.3Very high98Very high40 Ų4094.3 Ų94.325%0.24544%0.443CS..Hα-helixtrans-68.5-40.4177.5-590000111.8I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.75Å; N16-T20 WeakPolarHBondContact O-CB 3.5Å; N16-T20 PolarHBondContact O-N 2.99Å; N16-T20 PolarHBondContact O-OG1 3.21Å; R17-T20 PolarHBondContact O-N 3.13Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.21Å; T20-K23 PolarHBondContact O-N 3.46Å; T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 WeakPolarHBondContact O-CG 3.36Å; T20-R24 PolarHBondContact O-N 3.49Å
21F98.3Very high98.1Very high46 Ų4692.3 Ų92.320%0.20244%0.439CS..Hα-helixtrans-58.6-55.4175.8175.8-100.9000110.7R17 Q18 K23 R24 K25 I47 N49 F55R17-F21 VanDerWaalsContact O-CB 3.31Å; R17-F21 WeakPolarHBondContact O-CB 3.4Å; R17-F21 PolarHBondContact O-N 3.34Å; Q18-F21 PolarHBondContact O-N 3.36Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.17Å; F21-R24 PolarHBondContact O-N 3.22Å; F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.41Å; F21-K25 PolarHBondContact O-N 3.17Å; F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; F21-N49 HydrophobicContact CE1-CB 4.33Å; F21-N49 HydrophobicContact CE2-CB 4.21Å; F21-N49 HydrophobicContact CZ-CB 3.88Å; F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CZ 4Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CG 4.44Å
22T98Very high98.1Very high74 Ų7490.4 Ų90.445%0.45443%0.431SS..Hα-helixtrans-54.1-46178.9-61.60000111.9Q18 F26Q18-T22 PolarHBondContact O-N 3.09Å; Q18-T22 PolarHBondContact O-OG1 3.04Å; T22-F26 PolarHBondContact O-N 3.09Å
23K97.4Very high98.2Very high155 Ų15589.7 Ų89.767%0.67442%0.421SS*.Hα-helixtrans-71.8-41.7-178.8-67.3-178.869.8166.60113.3V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 4.17Å; V19-K23 WeakPolarHBondContact O-CG 3.35Å; V19-K23 PolarHBondContact O-N 3.15Å; T20-K23 PolarHBondContact O-N 3.46Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.17Å; K23-G27 PolarHBondContact O-N 3.22Å
24R98.3Very high98.2Very high135 Ų13588.5 Ų88.551%0.50941%0.413SS..Hα-helixtrans-71.3-38.6177.7-74.5-169.3175.4-153.8-1.5112T20 F21 G27 L28T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 WeakPolarHBondContact O-CG 3.36Å; T20-R24 PolarHBondContact O-N 3.49Å; F21-R24 PolarHBondContact O-N 3.22Å; R24-G27 PolarHBondContact O-N 3.05Å; R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 2.9Å
25K98.4Very high98.3Very high46 Ų4687.6 Ų87.620%0.241%0.411CS..Hα-helixtrans-57.1-49.8174.4-170.9-170.978.872.10111.1F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.41Å; F21-K25 PolarHBondContact O-N 3.17Å; K25-L28 PolarHBondContact O-N 2.93Å; K25-M29 HydrophobicContact CD-CE 4.17Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.93Å; K25-M29 HydrophobicContact CG-SD 3.98Å; K25-M29 PolarHBondContact NZ-SD 3.16Å; K25-M29 WeakPolarHBondContact O-CB 3.26Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.5Å; K25-M29 PolarHBondContact O-N 3Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.86Å
26F98.5Very high98.3Very high143 Ų14378.3 Ų78.363%0.62738%0.378SS*.Hα-helixtrans-63.6-42.8176.4-175.7-97.3000112.2T22 L28 M29 K30T22-F26 PolarHBondContact O-N 3.09Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.05Å; F26-M29 PolarHBondContact O-N 3Å; F26-K30 WeakPolarHBondContact O-CB 3.3Å; F26-K30 PolarHBondContact O-N 3.47Å
27G98.5Very high98.3Very high34 Ų3478.2 Ų78.235%0.35138%0.381SS..Hα-helixtrans-60.3-40.2175.400000113.5K23 R24 K30 K31K23-G27 PolarHBondContact O-N 3.22Å; R24-G27 PolarHBondContact O-N 3.05Å; G27-K30 PolarHBondContact O-N 2.92Å; G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 3.22Å; G27-K31 VanDerWaalsContact O-N 3.12Å
28L98.6Very high98.4Very high90 Ų9082.9 Ų82.947%0.47141%0.408SS..Hα-helixtrans-68.1-45.3176.8-17861.1000111.6R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 2.9Å; K25-L28 PolarHBondContact O-N 2.93Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.05Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; L28-K31 PolarHBondContact O-N 2.73Å; L28-K31 VanDerWaalsContact O-N 3.08Å; L28-A32 PolarHBondContact O-N 3.15Å; L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.97Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; L28-I47 HydrophobicContact CD2-CD1 4.28Å
29M98.6Very high98.4Very high24 Ų2482.2 Ų82.212%0.11841%0.412CS..Hα-helixtrans-60-40.5174.6-71.5168166.200111.8K25 F26 K31 A32 Y33 L45 Q56 Y57K25-M29 HydrophobicContact CD-CE 4.17Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.93Å; K25-M29 HydrophobicContact CG-SD 3.98Å; K25-M29 PolarHBondContact NZ-SD 3.16Å; K25-M29 WeakPolarHBondContact O-CB 3.26Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.5Å; K25-M29 PolarHBondContact O-N 3Å; F26-M29 PolarHBondContact O-N 3Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.74Å; M29-A32 PolarHBondContact O-N 2.85Å; M29-Y33 PolarHBondContact O-N 3.11Å; M29-L45 HydrophobicContact CG-CD2 4.17Å; M29-Q56 WeakPolarHBondContact CE-O 3.42Å; M29-Y57 HydrophobicContact CG-CG 4.32Å
30K98.7Very high98.4Very high108 Ų10885.9 Ų85.947%0.4743%0.43SS..Hα-helixtrans-61.8-36.9173.5-169.3177.6-170.3-71.10112.3F26 G27 L28 E34F26-K30 WeakPolarHBondContact O-CB 3.3Å; F26-K30 PolarHBondContact O-N 3.47Å; G27-K30 PolarHBondContact O-N 2.92Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; K30-E34 IonicContact NZ-OE1 3.6Å; K30-E34 PolarHBondContact NZ-OE1 3.34Å; K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.25Å; K30-E34 PolarHBondContact O-N 3.47Å
31K98.7Very high98.4Very high131 Ų13186.4 Ų86.457%0.5743%0.434SS*.Hα-helixtrans-72.5-36.9176.5-71.1-149143.6-61.50113.6G27 L28 M29 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 3.22Å; G27-K31 VanDerWaalsContact O-N 3.12Å; L28-K31 PolarHBondContact O-N 2.73Å; L28-K31 VanDerWaalsContact O-N 3.08Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.74Å; K31-E34 IonicContact NZ-OE2 3.47Å; K31-E34 PolarHBondContact NZ-OE2 3.37Å; K31-E34 PolarHBondContact O-N 3.27Å; K31-L35 WeakPolarHBondContact O-CB 3.19Å; K31-L35 PolarHBondContact O-N 3.17Å
32A98.7Very high98.4Very high13 Ų1387.3 Ų87.311%0.10744%0.439CS..Hα-helixtrans-62.5-44.7171.900000110.8L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 3.15Å; M29-A32 PolarHBondContact O-N 2.85Å; A32-L35 PolarHBondContact O-N 3.29Å; A32-S36 WeakPolarHBondContact O-CB 3.5Å; A32-S36 PolarHBondContact O-N 3.29Å; A32-S36 PolarHBondContact O-OG 3.17Å; A32-I43 HydrophobicContact CB-CG2 4.19Å; A32-Y57 HydrophobicContact CB-CD1 3.89Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å
33Y98.7Very high98.4Very high137 Ų13785.5 Ų85.554%0.53743%0.426SS..Hα-helixtrans-58.5-51.9172.4172.2-101000112.5M29 L35 S36 V37 Y57M29-Y33 PolarHBondContact O-N 3.11Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.99Å; Y33-S36 WeakPolarHBondContact CA-OG 3.5Å; Y33-S36 PolarHBondContact O-N 3.29Å; Y33-S36 PolarHBondContact O-OG 3.37Å; Y33-V37 HydrophobicContact CD2-CG2 4.04Å; Y33-V37 HydrophobicContact CE1-CG2 4.43Å; Y33-V37 HydrophobicContact CE2-CG2 3.63Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.68Å; Y33-V37 VanDerWaalsContact O-N 3.1Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.45Å
34E98.8Very high98.5Very high56 Ų5679.9 Ų79.926%0.26241%0.409SS..Hα-helixtrans-51.3-48175.8-77.2163.6-176.100111.8K30 K31 L38K30-E34 IonicContact NZ-OE1 3.6Å; K30-E34 PolarHBondContact NZ-OE1 3.34Å; K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.25Å; K30-E34 PolarHBondContact O-N 3.47Å; K31-E34 IonicContact NZ-OE2 3.47Å; K31-E34 PolarHBondContact NZ-OE2 3.37Å; K31-E34 PolarHBondContact O-N 3.27Å; E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.12Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.46Å; E34-L38 PolarHBondContact O-N 3.33Å
35L98.8Very high98.5Very high92 Ų9275.2 Ų75.248%0.48239%0.394SS..Hα-helixtrans-67.4-43.9-180-176.660.6000112.3K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.19Å; K31-L35 PolarHBondContact O-N 3.17Å; A32-L35 PolarHBondContact O-N 3.29Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.99Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 2.9Å; L35-C39 HydrophobicContact CD1-CB 4.32Å; L35-C39 WeakPolarHBondContact O-CB 3.19Å; L35-C39 PolarHBondContact O-N 2.74Å; L35-C39 VanDerWaalsContact O-N 3.08Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.95Å; L35-I43 HydrophobicContact CG-CD1 3.98Å
36S98.4Very high98.5Very high10 Ų1077 Ų777%0.0741%0.405CS..Hα-helixtrans-59.6-38.6179.663.10000113.2A32 Y33 D40 C41 S59A32-S36 WeakPolarHBondContact O-CB 3.5Å; A32-S36 PolarHBondContact O-N 3.29Å; A32-S36 PolarHBondContact O-OG 3.17Å; Y33-S36 WeakPolarHBondContact CA-OG 3.5Å; Y33-S36 PolarHBondContact O-N 3.29Å; Y33-S36 PolarHBondContact O-OG 3.37Å; S36-D40 VanDerWaalsContact O-CA 3.3Å; S36-D40 WeakPolarHBondContact O-CA 3.44Å; S36-D40 PolarHBondContact O-N 3.22Å; S36-D40 VanDerWaalsContact O-N 3.15Å; S36-C41 WeakPolarHBondContact CA-O 3.44Å; S36-C41 WeakPolarHBondContact CB-O 3.39Å; S36-C41 PolarHBondContact O-N 3.43Å; S36-S59 WeakPolarHBondContact OG-CB 3.49Å
37V98.5Very high98.5Very high91 Ų9171.7 Ų71.755%0.55238%0.382SS*.Hα-helixtrans-81.8-36.5-178.6174.80000112.1Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.04Å; Y33-V37 HydrophobicContact CE1-CG2 4.43Å; Y33-V37 HydrophobicContact CE2-CG2 3.63Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.68Å; Y33-V37 VanDerWaalsContact O-N 3.1Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.41Å
38L98.8Very high98.5Very high142 Ų14276.4 Ų76.474%0.74339%0.393SS*.Hα-helixtrans-77.4-22.7-178.3-71171.3000113.6E34 L35E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.12Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.46Å; E34-L38 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 2.9Å
39C98.6Very high98.4Very high78 Ų7873.2 Ų73.253%0.52738%0.377SS..THydrogen-bonded Turntrans-128.413.2-173.5-58.60000113.8L35 C41L35-C39 HydrophobicContact CD1-CB 4.32Å; L35-C39 WeakPolarHBondContact O-CB 3.19Å; L35-C39 PolarHBondContact O-N 2.74Å; L35-C39 VanDerWaalsContact O-N 3.08Å; C39-C41 PolarHBondContact O-N 2.91Å; C39-C41 PolarHBondContact O-SG 3.07Å
40D98.1Very high98.3Very high159 Ų15975.8 Ų75.885%0.8540%0.397SS*.THydrogen-bonded Turntrans47.552.5-177.8-160.122.9000113.5S36S36-D40 VanDerWaalsContact O-CA 3.3Å; S36-D40 WeakPolarHBondContact O-CA 3.44Å; S36-D40 PolarHBondContact O-N 3.22Å; S36-D40 VanDerWaalsContact O-N 3.15Å
41C97.7Very high98.2Very high51 Ų5174.9 Ų74.935%0.34540%0.401SS..  trans-109.4128.2-171.8-69.60000112.8S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.44Å; S36-C41 WeakPolarHBondContact CB-O 3.39Å; S36-C41 PolarHBondContact O-N 3.43Å; C39-C41 PolarHBondContact O-N 2.91Å; C39-C41 PolarHBondContact O-SG 3.07Å; C41-I43 HydrophobicContact CB-CD1 4.16Å; C41-I43 HydrophobicContact CB-CG1 4.07Å; C41-I43 PolarHBondContact O-N 3.34Å; C41-S59 PolarHBondContact O-OG 3.08Å; C41-S59 VanDerWaalsContact O-OG 3.07Å
42E97.9Very high98.1Very high64 Ų6475.3 Ų75.330%0.29941%0.409SS..  trans-75.1119.9165-65.6-170.4120.500109.9K64 V65 K68E42-K64 IonicContact OE1-NZ 2.74Å; E42-K64 PolarHBondContact OE1-NZ 2.83Å; E42-V65 HydrophobicContact CB-CG2 4.2Å; E42-K68 WeakPolarHBondContact OE2-CD 3.47Å; E42-K68 IonicContact OE2-NZ 3.16Å; E42-K68 PolarHBondContact OE2-NZ 3.42Å
43I98.3Very high98.1Very high36 Ų3681.1 Ų81.119%0.18543%0.432CS..  trans-132.5128.2-175.3-60.2176.8000109A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.19Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.95Å; L35-I43 HydrophobicContact CG-CD1 3.98Å; C41-I43 HydrophobicContact CB-CD1 4.16Å; C41-I43 HydrophobicContact CB-CG1 4.07Å; C41-I43 PolarHBondContact O-N 3.34Å; I43-A58 CarbonylContact O-C 3.6Å; I43-A58 VanDerWaalsContact O-CA 3.25Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; I43-S59 PolarHBondContact N-OG 3.32Å; I43-S59 PolarHBondContact O-N 2.89Å
44A98.4Very high98.1Very high38 Ų3878.5 Ų78.531%0.31443%0.427SS..EExtended strand (participates in β ladder)trans-111.3146.7165.500000110.5Y57 M62 V65A44-Y57 CarbonylContact C-O 3.53Å; A44-M62 HydrophobicContact CB-CE 4.37Å; A44-M62 HydrophobicContact CB-SD 3.9Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å
45L98.6Very high98.1Very high37 Ų3779 Ų7919%0.19443%0.428CS..EExtended strand (participates in β ladder)trans-141.9119.1179.817562.8000109.7L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.97Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; M29-L45 HydrophobicContact CG-CD2 4.17Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.16Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; L45-Q56 CarbonylContact O-C 3.51Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; L45-Y57 HydrophobicContact CB-CD1 4.39Å; L45-Y57 PolarHBondContact N-O 3.47Å; L45-Y57 PolarHBondContact O-N 3.03Å
46I98.5Very high98.1Very high84 Ų8479.4 Ų79.443%0.43143%0.428SS..EExtended strand (participates in β ladder)trans-114.3130.2179.3-66.2174.8000108.8F48 L54 L66I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.59Å; I46-F48 HydrophobicContact CG2-CZ 4.29Å; I46-L54 HydrophobicContact CG2-CD1 3.81Å; I46-L66 HydrophobicContact CD1-CD2 4.25Å
47I98.6Very high98.1Very high30 Ų3081.1 Ų81.115%0.15443%0.433CS..EExtended strand (participates in β ladder)trans-135.5112.7-179.5-56.8171.7000109.2F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; L28-I47 HydrophobicContact CD2-CD1 4.28Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.16Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; I47-F55 HydrophobicContact CB-CB 4.47Å; I47-F55 PolarHBondContact N-O 3.45Å; I47-F55 PolarHBondContact O-N 3.01Å
48F98.5Very high98.1Very high133 Ų13377.7 Ų77.758%0.58342%0.415SS*.EExtended strand (participates in β ladder)trans-90.4135163.5-64.3-83.4000109.6I46 L54I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.59Å; I46-F48 HydrophobicContact CG2-CZ 4.29Å; F48-L54 HydrophobicContact CD1-CB 4.25Å; F48-L54 HydrophobicContact CD1-CD1 4.47Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.99Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å
49N96.9Very high98.1Very high24 Ų2472.6 Ų72.613%0.12839%0.391CS..  trans-86.7177170.983.3-22.3000111.4F21 T51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.33Å; F21-N49 HydrophobicContact CE2-CB 4.21Å; F21-N49 HydrophobicContact CZ-CB 3.88Å; N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.44Å; N49-T51 VanDerWaalsContact OD1-C 3.26Å; N49-T51 WeakPolarHBondContact OD1-CA 3.3Å; N49-T51 PolarHBondContact OD1-N 3.09Å; N49-T51 PolarHBondContact OD1-OG1 2.85Å; N49-N52 PolarHBondContact O-N 3.32Å; N49-N52 PolarHBondContact OD1-N 3.06Å; N49-K53 PolarHBondContact N-O 2.67Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 3.1Å; N49-F55 HydrophobicContact CB-CE2 4.11Å
50S96.1Very high98Very high78 Ų7872.7 Ų72.755%0.54539%0.389SS..THydrogen-bonded Turntrans-68.56.4177600000115.4
51T96.8Very high97.9Very high89 Ų8969.3 Ų69.355%0.54637%0.371SS..THydrogen-bonded Turntrans-12225170.469.80000110.8N49 K53N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.44Å; N49-T51 VanDerWaalsContact OD1-C 3.26Å; N49-T51 WeakPolarHBondContact OD1-CA 3.3Å; N49-T51 PolarHBondContact OD1-N 3.09Å; N49-T51 PolarHBondContact OD1-OG1 2.85Å; T51-K53 PolarHBondContact O-N 3.34Å
52N97.3Very high98Very high139 Ų13967.6 Ų67.674%0.74336%0.358SS*.  trans52.721.8-179.7-59.4-11.3000115.5N49N49-N52 PolarHBondContact O-N 3.32Å; N49-N52 PolarHBondContact OD1-N 3.06Å
53K98.1Very high98Very high135 Ų13570.2 Ų70.259%0.58737%0.374SS*.  trans-79.3122.9172.7-66.4-174.1177.6-172.30109.2N49 T51 F55N49-K53 PolarHBondContact N-O 2.67Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 3.1Å; T51-K53 PolarHBondContact O-N 3.34Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.42Å; K53-F55 WeakPolarHBondContact O-CD2 3.37Å
54L98.3Very high97.9Very high83 Ų8373.9 Ų73.944%0.43539%0.389SS..EExtended strand (participates in β ladder)trans-71.5133.9174.3176.658.4000110.8I46 F48 Q56I46-L54 HydrophobicContact CG2-CD1 3.81Å; F48-L54 HydrophobicContact CD1-CB 4.25Å; F48-L54 HydrophobicContact CD1-CD1 4.47Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.99Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å
55F98.6Very high97.9Very high65 Ų6573 Ų7329%0.28538%0.379SS..EExtended strand (participates in β ladder)trans-130.8127.3163.1-57.4-95.1000107.7F21 K25 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CZ 4Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CG 4.44Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.86Å; I47-F55 HydrophobicContact CB-CB 4.47Å; I47-F55 PolarHBondContact N-O 3.45Å; I47-F55 PolarHBondContact O-N 3.01Å; N49-F55 HydrophobicContact CB-CE2 4.11Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.42Å; K53-F55 WeakPolarHBondContact O-CD2 3.37Å
56Q98.4Very high97.8Very high101 Ų10174.4 Ų74.447%0.47239%0.387SS..EExtended strand (participates in β ladder)trans-127.8162.7-17680.4-165.550.200112.5M29 L45 L54 M62M29-Q56 WeakPolarHBondContact CE-O 3.42Å; L45-Q56 CarbonylContact O-C 3.51Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CG-CE 3.87Å
57Y98.7Very high97.7Very high46 Ų4675.1 Ų75.118%0.1839%0.391CS..EExtended strand (participates in β ladder)trans-150.7140170.8165.9-96.5000109.2M29 A32 Y33 A44 L45 S59 M62M29-Y57 HydrophobicContact CG-CG 4.32Å; A32-Y57 HydrophobicContact CB-CD1 3.89Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.45Å; A44-Y57 CarbonylContact C-O 3.53Å; L45-Y57 HydrophobicContact CB-CD1 4.39Å; L45-Y57 PolarHBondContact N-O 3.47Å; L45-Y57 PolarHBondContact O-N 3.03Å; Y57-S59 WeakPolarHBondContact OH-CA 3.46Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.4Å
58A98.5Very high97.6Very high20 Ų2077.6 Ų77.617%0.16540%0.401CS..EExtended strand (participates in β ladder)trans-127.8151.1164.700000109I43 T60 M62I43-A58 CarbonylContact O-C 3.6Å; I43-A58 VanDerWaalsContact O-CA 3.25Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-M62 HydrophobicContact CB-CB 4.36Å; A58-M62 HydrophobicContact CB-CE 4.09Å
59S98.2Very high97.5Very high35 Ų3579 Ų7925%0.24540%0.404CS..SBendtrans-75.5-26.3168.958.40000112.7S36 C41 I43 Y57S36-S59 WeakPolarHBondContact OG-CB 3.49Å; C41-S59 PolarHBondContact O-OG 3.08Å; C41-S59 VanDerWaalsContact O-OG 3.07Å; I43-S59 PolarHBondContact N-OG 3.32Å; I43-S59 PolarHBondContact O-N 2.89Å; Y57-S59 WeakPolarHBondContact OH-CA 3.46Å
60T97.2Very high97.4Very high79 Ų7982.8 Ų82.849%0.48543%0.427SS..SBendtrans-120-117.6171.759.10000109.8A58A58-T60 VanDerWaalsContact C-N 3.34Å
61D97.4Very high97.3Very high88 Ų8885 Ų8547%0.47143%0.429SS..  trans-103.1141175.9-178.4-82.7000110.1D63 K64 V65D61-D63 PolarHBondContact OD1-N 3.35Å; D61-K64 HydrophobicContact CB-CB 3.89Å; D61-K64 PolarHBondContact OD1-N 3.29Å; D61-V65 WeakPolarHBondContact O-CG2 3.23Å; D61-V65 PolarHBondContact O-N 2.8Å
62M98.3Very high97Very high16 Ų1688.4 Ų88.48%0.07943%0.433CS..Hα-helixtrans-68.7-47.2-177.3179.862.663.900111.9A44 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-CE 4.37Å; A44-M62 HydrophobicContact CB-SD 3.9Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CG-CE 3.87Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.4Å; A58-M62 HydrophobicContact CB-CB 4.36Å; A58-M62 HydrophobicContact CB-CE 4.09Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.2Å; M62-V65 PolarHBondContact O-N 2.86Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.31Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.09Å; M62-L66 HydrophobicContact SD-CD1 3.94Å; M62-L66 HydrophobicContact SD-CG 4.02Å
63D97.6Very high96.1Very high119 Ų11989.9 Ų89.964%0.63644%0.441SS*.Hα-helixtrans-71.2-34.1-173.2-61-17.9000109.6D61 L66 L67D61-D63 PolarHBondContact OD1-N 3.35Å; D63-L66 PolarHBondContact O-N 3.34Å; D63-L67 VanDerWaalsContact O-CB 3.23Å; D63-L67 WeakPolarHBondContact O-CB 3.45Å; D63-L67 PolarHBondContact O-N 2.99Å
64K97.6Very high95.7Very high112 Ų11291.2 Ų91.249%0.48745%0.449SS..Hα-helixtrans-58.1-47.9169.2-169-156.8176.9-1610112.5E42 D61 M62 K68E42-K64 IonicContact OE1-NZ 2.74Å; E42-K64 PolarHBondContact OE1-NZ 2.83Å; D61-K64 HydrophobicContact CB-CB 3.89Å; D61-K64 PolarHBondContact OD1-N 3.29Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.2Å; K64-K68 WeakPolarHBondContact O-CB 3.42Å; K64-K68 PolarHBondContact O-N 2.63Å
65V97.4Very high95.4Very high19 Ų1990.6 Ų90.612%0.11545%0.45CS..Hα-helixtrans-72.8-33.7-177.9177.60000111.4E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.2Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å; D61-V65 WeakPolarHBondContact O-CG2 3.23Å; D61-V65 PolarHBondContact O-N 2.8Å; M62-V65 PolarHBondContact O-N 2.86Å; V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 3.21Å
66L97Very high95.1Very high67 Ų6797.2 Ų97.235%0.35148%0.482SS..Hα-helixtrans-69.9-39.9173.7-69.2176.6000112.5I46 M62 D63 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.25Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.31Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.09Å; M62-L66 HydrophobicContact SD-CD1 3.94Å; M62-L66 HydrophobicContact SD-CG 4.02Å; D63-L66 PolarHBondContact O-N 3.34Å; L66-Y69 WeakPolarHBondContact O-CB 3.36Å; L66-Y69 PolarHBondContact O-N 2.94Å; L66-T70 PolarHBondContact O-N 3.03Å; L66-T70 PolarHBondContact O-OG1 2.85Å
67L96.5Very high94.9Very high100 Ų10098.3 Ų98.352%0.52449%0.487SS..Hα-helixtrans-60-50.2173178.861.5000110.6D63 Y69 T70 E71D63-L67 VanDerWaalsContact O-CB 3.23Å; D63-L67 WeakPolarHBondContact O-CB 3.45Å; D63-L67 PolarHBondContact O-N 2.99Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.28Å; L67-T70 WeakPolarHBondContact CA-OG1 3.46Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 WeakPolarHBondContact O-CA 3.23Å; L67-T70 PolarHBondContact O-N 2.72Å; L67-T70 PolarHBondContact O-OG1 3.2Å; L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 3.27Å
68K95.9Very high94.7Very high82 Ų82100.1 Ų100.136%0.35751%0.506SS..Hα-helixtrans-57.2-36.7174.1-171.4-174.9-175.8-172.90112.4E42 K64 E71 Y72E42-K68 WeakPolarHBondContact OE2-CD 3.47Å; E42-K68 IonicContact OE2-NZ 3.16Å; E42-K68 PolarHBondContact OE2-NZ 3.42Å; K64-K68 WeakPolarHBondContact O-CB 3.42Å; K64-K68 PolarHBondContact O-N 2.63Å; K68-E71 PolarHBondContact O-N 2.98Å; K68-Y72 HydrophobicContact CG-CE2 4.24Å; K68-Y72 WeakPolarHBondContact O-CD2 3.43Å
69Y95.9Very high94.6Very high163 Ų163106 Ų10664%0.63952%0.524SS*.Hα-helixtrans-64.9-40.5173.5176.7-93.1000111.9V65 L66 L67 E71 Y72V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 3.21Å; L66-Y69 WeakPolarHBondContact O-CB 3.36Å; L66-Y69 PolarHBondContact O-N 2.94Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.28Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.41Å; Y69-Y72 PolarHBondContact O-N 3.04Å
70T95.1Very high94.6Very high102 Ų102107.8 Ų107.863%0.62653%0.534SS*.Hα-helixtrans-72.5-17176.154.10000114.7L66 L67 Y72L66-T70 PolarHBondContact O-N 3.03Å; L66-T70 PolarHBondContact O-OG1 2.85Å; L67-T70 WeakPolarHBondContact CA-OG1 3.46Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 WeakPolarHBondContact O-CA 3.23Å; L67-T70 PolarHBondContact O-N 2.72Å; L67-T70 PolarHBondContact O-OG1 3.2Å; T70-Y72 VanDerWaalsContact C-N 3.34Å
71E94.1Very high94.5Very high126 Ų126110.7 Ų110.759%0.58955%0.546SS*.THydrogen-bonded Turntrans-79.6-14.2172.8-70.2169.4175.700113.1L67 K68 Y69L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 3.27Å; K68-E71 PolarHBondContact O-N 2.98Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.41Å
72Y90.9Very high94.5Very high159 Ų159110.3 Ų110.362%0.62455%0.551SS**  trans-106.7110.1-177.4-81.8-118.6000110.6K68 Y69 T70 E74K68-Y72 HydrophobicContact CG-CE2 4.24Å; K68-Y72 WeakPolarHBondContact O-CD2 3.43Å; Y69-Y72 PolarHBondContact O-N 3.04Å; T70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 2.98Å
73N79.2Confident94.4Very high170 Ų170111.7 Ų111.791%0.90956%0.558SS**SBendtrans-64.2-28.6-174.9-67.1-18.5000114.5
74E88.6Confident94.3Very high163 Ų163110.1 Ų110.176%0.76255%0.549SS*.SBendtrans-147.3131.7-176.3-167.2169.7-165.400111.1Y72Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 2.98Å
75P91.9Very high94.2Very high71 Ų71108.4 Ų108.446%0.46155%0.548SS..  trans-78.7134178.431.5-34.8000111.8E77P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.34Å
76H92.1Very high94Very high203 Ų203112.7 Ų112.794%0.9457%0.566SS**SBendtrans-59.8-34.1179-179.563.3000113.8
77E94.8Very high93.8Very high125 Ų125112.1 Ų112.158%0.58457%0.566SS**SBendtrans-135.5130.8166.4-177.4173.9-158.800108.8P75 R79P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.34Å; E77-R79 HydrophobicContact CG-CG 4.15Å; E77-R79 IonicContact OE1-CZ 2.81Å; E77-R79 IonicContact OE1-NE 3.19Å; E77-R79 PolarHBondContact OE1-NE 2.93Å; E77-R79 IonicContact OE1-NH2 2.73Å; E77-R79 PolarHBondContact OE1-NH2 3.45Å
78S94.5Very high93.6Very high84 Ų84111 Ų11159%0.58756%0.56SS**  trans-119.8139.8171.1-1730000109.4
79R96.3Very high93.4Very high144 Ų144114.1 Ų114.154%0.54357%0.569SS.*  trans-141.6134.8-178.6-66.9-64.1179.6-158.5-6.6111.2E77 D83E77-R79 HydrophobicContact CG-CG 4.15Å; E77-R79 IonicContact OE1-CZ 2.81Å; E77-R79 IonicContact OE1-NE 3.19Å; E77-R79 PolarHBondContact OE1-NE 2.93Å; E77-R79 IonicContact OE1-NH2 2.73Å; E77-R79 PolarHBondContact OE1-NH2 3.45Å; R79-D83 IonicContact NH1-OD1 3.62Å; R79-D83 PolarHBondContact NH1-OD1 2.96Å
80T97.6Very high93.1Very high72 Ų72115 Ų11544%0.44258%0.576SS.*  trans-112.6-179.6174.376.80000110.8S82 D83 I84T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 2.98Å; T80-S82 PolarHBondContact OG1-N 3.4Å; T80-S82 PolarHBondContact OG1-OG 3.26Å; T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.22Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.37Å; T80-D83 PolarHBondContact OG1-OD2 2.6Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.91Å
81N96.7Very high92.7Very high139 Ų139117 Ų11774%0.74358%0.577SS**Hα-helixtrans-62.6-29.5175-69.8-26.1000113V85N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.77Å; N81-V85 VanDerWaalsContact O-N 3.09Å
82S96.6Very high91.4Very high81 Ų81114 Ų11457%0.56658%0.58SS**Hα-helixtrans-71-43.5178.342.50000112T80 I84 V85 E86T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 2.98Å; T80-S82 PolarHBondContact OG1-N 3.4Å; T80-S82 PolarHBondContact OG1-OG 3.26Å; S82-I84 VanDerWaalsContact C-N 3.26Å; S82-I84 PolarHBondContact O-N 3.08Å; S82-V85 PolarHBondContact O-N 3.12Å; S82-E86 WeakPolarHBondContact O-CB 3.5Å; S82-E86 PolarHBondContact O-N 2.71Å
83D96Very high90Very high45 Ų45112.1 Ų112.124%0.24158%0.58CS.*Hα-helixtrans-56.5-42.3175.7-55.1-102.7000111.9R79 T80 T87R79-D83 IonicContact NH1-OD1 3.62Å; R79-D83 PolarHBondContact NH1-OD1 2.96Å; T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.22Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.37Å; T80-D83 PolarHBondContact OG1-OD2 2.6Å; D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.47Å; D83-T87 PolarHBondContact O-N 2.92Å; D83-T87 PolarHBondContact O-OG1 2.87Å
84I95.6Very high88.7Confident86 Ų86108 Ų10844%0.44156%0.558SS.*Hα-helixtrans-68.5-44.2-179.8-64.2166.8000110.2T80 S82 T87 L88T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.91Å; S82-I84 VanDerWaalsContact C-N 3.26Å; S82-I84 PolarHBondContact O-N 3.08Å; I84-T87 PolarHBondContact O-N 3.47Å; I84-L88 HydrophobicContact CG2-CD1 4.12Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.46Å
85V94.6Very high87.3Confident76 Ų76102.7 Ų102.746%0.46155%0.546SS..Hα-helixtrans-64.9-41.6176.9168.20000111.6N81 S82 L88 R89N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.77Å; N81-V85 VanDerWaalsContact O-N 3.09Å; S82-V85 PolarHBondContact O-N 3.12Å; V85-L88 PolarHBondContact O-N 3.36Å; V85-R89 WeakPolarHBondContact O-CG 3.28Å; V85-R89 PolarHBondContact O-N 2.99Å
86E94.5Very high85.3Confident108 Ų108103.9 Ų103.951%0.50556%0.555SS.*Hα-helixtrans-63.7-45.5174.7-165.7-169.6132.800111.9S82 L88 R89 K90S82-E86 WeakPolarHBondContact O-CB 3.5Å; S82-E86 PolarHBondContact O-N 2.71Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; E86-R89 WeakPolarHBondContact O-CB 3.3Å; E86-R89 PolarHBondContact O-N 2.81Å; E86-R89 VanDerWaalsContact O-N 3.17Å; E86-K90 WeakPolarHBondContact O-CB 3.31Å; E86-K90 PolarHBondContact O-N 2.85Å
87T93.4Very high82.9Confident55 Ų55101.2 Ų101.234%0.33755%0.548SS..Hα-helixtrans-59.6-35.6176.4-61.80000112.1D83 I84 K91D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.47Å; D83-T87 PolarHBondContact O-N 2.92Å; D83-T87 PolarHBondContact O-OG1 2.87Å; I84-T87 PolarHBondContact O-N 3.47Å; T87-K91 HydrophobicContact CG2-CD 3.97Å; T87-K91 WeakPolarHBondContact O-CB 3.14Å; T87-K91 VanDerWaalsContact O-CG 3.26Å; T87-K91 WeakPolarHBondContact O-CG 3.49Å; T87-K91 PolarHBondContact O-N 2.97Å
88L91.7Very high80.5Confident76 Ų76100.2 Ų100.240%0.39856%0.555SS.*Hα-helixtrans-71.5-41.1175.8-72168.7000112.5I84 V85 E86 L93I84-L88 HydrophobicContact CG2-CD1 4.12Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.46Å; V85-L88 PolarHBondContact O-N 3.36Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; L88-L93 HydrophobicContact CD2-CB 4.48Å; L88-L93 HydrophobicContact CD2-CD1 4.15Å; L88-L93 PolarHBondContact O-N 3.37Å
89R90.9Very high78.4Confident148 Ų148102 Ų10256%0.55857%0.565SS**Hα-helixtrans-59-55.2171.7-72.5-175.5-63.7-172.15.1111V85 E86 K91 G92V85-R89 WeakPolarHBondContact O-CG 3.28Å; V85-R89 PolarHBondContact O-N 2.99Å; E86-R89 WeakPolarHBondContact O-CB 3.3Å; E86-R89 PolarHBondContact O-N 2.81Å; E86-R89 VanDerWaalsContact O-N 3.17Å; R89-K91 PolarHBondContact O-N 3.42Å; R89-K91 VanDerWaalsContact O-N 3.16Å; R89-G92 PolarHBondContact O-N 3.44Å
90K90.8Very high75.6Confident181 Ų181101.6 Ų101.679%0.78757%0.573SS**Hα-helixtrans-60.5-26.9-176.9-172.6170.3-175.9170.60113.8E86 G92E86-K90 WeakPolarHBondContact O-CB 3.31Å; E86-K90 PolarHBondContact O-N 2.85Å; K90-G92 VanDerWaalsContact C-N 3.33Å
91K85.2Confident73.4Confident145 Ų145103.6 Ų103.663%0.6359%0.587SS**THydrogen-bonded Turntrans-86.65.4177.2-72.3176.8179176.40114.2T87 R89 L93T87-K91 HydrophobicContact CG2-CD 3.97Å; T87-K91 WeakPolarHBondContact O-CB 3.14Å; T87-K91 VanDerWaalsContact O-CG 3.26Å; T87-K91 WeakPolarHBondContact O-CG 3.49Å; T87-K91 PolarHBondContact O-N 2.97Å; R89-K91 PolarHBondContact O-N 3.42Å; R89-K91 VanDerWaalsContact O-N 3.16Å; K91-L93 HydrophobicContact CB-CD1 4.05Å; K91-L93 HydrophobicContact CB-CG 4.04Å; K91-L93 PolarHBondContact O-N 2.84Å; K91-L93 VanDerWaalsContact O-N 3.11Å
92G68.2Low71.2Confident64 Ų64104.1 Ų104.166%0.6659%0.59SS**THydrogen-bonded Turntrans65.612-179.300000114.3R89 K90 N94R89-G92 PolarHBondContact O-N 3.44Å; K90-G92 VanDerWaalsContact C-N 3.33Å; G92-N94 PolarHBondContact O-N 3.49Å
93L60.9Low68.9Low119 Ų119105 Ų10562%0.62360%0.602SS**  trans-78.8-5.6-177.4-64.9174.7000112.6L88 K91 G95L88-L93 HydrophobicContact CD2-CB 4.48Å; L88-L93 HydrophobicContact CD2-CD1 4.15Å; L88-L93 PolarHBondContact O-N 3.37Å; K91-L93 HydrophobicContact CB-CD1 4.05Å; K91-L93 HydrophobicContact CB-CG 4.04Å; K91-L93 PolarHBondContact O-N 2.84Å; K91-L93 VanDerWaalsContact O-N 3.11Å; L93-G95 PolarHBondContact O-N 2.97Å
94N52.8Low66.6Low84 Ų84110.4 Ų110.445%0.44963%0.631SS.*  trans-7265.4170.3-82.330.8000111.6G92 C96G92-N94 PolarHBondContact O-N 3.49Å; N94-C96 PolarHBondContact O-N 3.38Å
95G58.3Low64.3Low50 Ų50112.7 Ų112.752%0.51564%0.644SS.*  trans-71.663.7170.500000112.9K5 L93K5-G95 PolarHBondContact NZ-O 2.98Å; L93-G95 PolarHBondContact O-N 2.97Å
96C50.3Low62.1Low96 Ų96114.1 Ų114.165%0.64966%0.658SS**  trans-178.891.9150.552.60000108.6N94N94-C96 PolarHBondContact O-N 3.38Å
97D41.7Very low60Low147 Ų147115.9 Ų115.979%0.78668%0.676SS**  trans-126.8111.3164.6-146.752.6000106.3
98S44.4Very low57.5Low104 Ų104116.7 Ų116.773%0.72770%0.695SS**  trans-83134.5162.1-67.10000105.9D100S98-D100 PolarHBondContact O-N 3.42Å
99P50.5Low55Low123 Ų123121.6 Ų121.680%0.79972%0.716SS**  trans-63.1112.6173.226.5-32.8000109
100D37.7Very low52.6Low135 Ų135118.2 Ų118.272%0.72271%0.714SS**  trans-87112.1172.7-158.89.6000107.5S98 D102S98-D100 PolarHBondContact O-N 3.42Å; D100-D102 VanDerWaalsContact C-N 3.26Å; D100-D102 PolarHBondContact O-N 2.9Å; D100-D102 VanDerWaalsContact O-N 3.09Å
101P51.3Low50.6Low113 Ų113114.9 Ų114.973%0.73471%0.711SS**SBendtrans-8728.5-15936.3-38.3000114.8
102D50.5Low48.8Very low150 Ų150116.1 Ų116.180%0.80272%0.719SS**  trans-127.628.9-173.2-77.7-61.6000113.3D100D100-D102 VanDerWaalsContact C-N 3.26Å; D100-D102 PolarHBondContact O-N 2.9Å; D100-D102 VanDerWaalsContact O-N 3.09Å
103A48.6Very low48.1Very low100 Ų100115 Ų11583%0.82670%0.701SS**  trans-100.483.3175.300000111.8
104D47.6Very low47.8Very low159 Ų159114.8 Ų114.885%0.8570%0.697SS**  trans-75.4153.4177.5-16620.4000113.5
105D47.8Very low48.1Very low133 Ų133116.1 Ų116.171%0.71170%0.704SS**  trans23.4103.4171.3-155.38.3000120.7
106S47.7Very low47.9Very low107 Ų107121.3 Ų121.375%0.74871%0.713SS**  trans-172.4119.9130.2-87.40000115.3
107V50.6Low48.1Very low145 Ų145124.6 Ų124.688%0.87971%0.712SS**SBendtrans53.794.8144.7-169.40000117.6
108G39.9Very low49.3Very low72 Ų72124 Ų12474%0.74270%0.699SS**  trans-178.911.2169.100000120
109H40.2Very low50.3Low179 Ų179126.6 Ų126.683%0.82970%0.698SS**  trans-88.6136.3-174.3-78-67.5000114.8
110S40.3Very low51.2Low76 Ų76125.1 Ų125.153%0.53168%0.682SS.*  trans-76.2148.9177-170.50000111.2E112 S113S110-E112 VanDerWaalsContact C-N 3.26Å; S110-E112 PolarHBondContact O-N 3.24Å; S110-E112 VanDerWaalsContact O-N 3.09Å; S110-S113 PolarHBondContact O-N 3.19Å; S110-S113 PolarHBondContact O-OG 3.39Å
111P48.7Very low52.8Low111 Ų111123.5 Ų123.572%0.72167%0.673SS**G310 helixtrans-56.3-31-172.5-28.536.5000115.8S113 E114P111-S113 VanDerWaalsContact C-N 3.27Å; P111-S113 PolarHBondContact O-N 2.87Å; P111-E114 PolarHBondContact O-N 2.93Å
112E46.5Very low53.9Low171 Ų171124 Ų12480%0.79967%0.666SS**G310 helixtrans-71.4-10.6-173.4-63.2-176.5107.800115.4S110S110-E112 VanDerWaalsContact C-N 3.26Å; S110-E112 PolarHBondContact O-N 3.24Å; S110-E112 VanDerWaalsContact O-N 3.09Å
113S54.8Low54.9Low40 Ų40121.6 Ų121.628%0.2865%0.653SS.*G310 helixtrans-83-23.7178.444.90000114.4S110 P111 K116 Y117S110-S113 PolarHBondContact O-N 3.19Å; S110-S113 PolarHBondContact O-OG 3.39Å; P111-S113 VanDerWaalsContact C-N 3.27Å; P111-S113 PolarHBondContact O-N 2.87Å; S113-K116 PolarHBondContact O-N 3.22Å; S113-Y117 WeakPolarHBondContact O-CD2 3.17Å
114E53.2Low56.1Low116 Ų116120.9 Ų120.954%0.54263%0.634SS.*Hα-helixtrans-72.2-42.4-167-156.1-174.7119.700113.1P111 K116 Y117 R118P111-E114 PolarHBondContact O-N 2.93Å; E114-K116 PolarHBondContact O-N 3.25Å; E114-Y117 PolarHBondContact O-N 3.06Å; E114-Y117 VanDerWaalsContact O-N 3.15Å; E114-R118 PolarHBondContact O-N 2.8Å; E114-R118 IonicContact OE1-CZ 3.71Å; E114-R118 IonicContact OE1-NH2 2.66Å; E114-R118 PolarHBondContact OE1-NH2 3.14Å
115D59.2Low57.4Low111 Ų111117.9 Ų117.959%0.59462%0.618SS**Hα-helixtrans-59.9-30.5178.7-70.2-48.5000113K119D115-K119 VanDerWaalsContact O-CB 3.3Å; D115-K119 WeakPolarHBondContact O-CB 3.36Å; D115-K119 PolarHBondContact O-N 3.13Å; D115-K119 VanDerWaalsContact O-N 3.15Å
116K55.2Low58.6Low160 Ų160117 Ų11770%0.69661%0.613SS**Hα-helixtrans-67.7-44.2176-92.2-179175.2171.50112.2S113 E114 I120S113-K116 PolarHBondContact O-N 3.22Å; E114-K116 PolarHBondContact O-N 3.25Å; K116-I120 WeakPolarHBondContact O-CD1 3.31Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.36Å; K116-I120 PolarHBondContact O-N 3.43Å
117Y54.9Low59.8Low164 Ų164117.1 Ų117.164%0.64360%0.603SS**Hα-helixtrans-72.4-41.2178.8-74.5-73.5000111.8S113 E114 K119 I120 N121S113-Y117 WeakPolarHBondContact O-CD2 3.17Å; E114-Y117 PolarHBondContact O-N 3.06Å; E114-Y117 VanDerWaalsContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.27Å; Y117-K119 PolarHBondContact O-N 2.71Å; Y117-I120 PolarHBondContact O-N 2.83Å; Y117-N121 PolarHBondContact O-N 3.29Å
118R64.9Low60.9Low135 Ų135113.8 Ų113.851%0.50958%0.58SS.*Hα-helixtrans-53.9-46.1175.5-163.9-179.4-64.8-162.32.6111.5E114 I120 N121 E122E114-R118 PolarHBondContact O-N 2.8Å; E114-R118 IonicContact OE1-CZ 3.71Å; E114-R118 IonicContact OE1-NH2 2.66Å; E114-R118 PolarHBondContact OE1-NH2 3.14Å; R118-I120 PolarHBondContact O-N 3.29Å; R118-N121 PolarHBondContact O-N 3.22Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.77Å; R118-E122 VanDerWaalsContact O-N 3.13Å
119K66.7Low62.3Low159 Ų159113.9 Ų113.969%0.69157%0.569SS**Hα-helixtrans-70.6-23.8178.6-164.8161.6-170.8165.30114.7D115 Y117 D123D115-K119 VanDerWaalsContact O-CB 3.3Å; D115-K119 WeakPolarHBondContact O-CB 3.36Å; D115-K119 PolarHBondContact O-N 3.13Å; D115-K119 VanDerWaalsContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.27Å; Y117-K119 PolarHBondContact O-N 2.71Å; K119-D123 PolarHBondContact O-N 2.93Å
120I69.7Low63.6Low92 Ų92114.8 Ų114.847%0.47257%0.565SS.*Hα-helixtrans-76.9-41.2172.9-70163.7000110.4K116 Y117 R118 D123 I124K116-I120 WeakPolarHBondContact O-CD1 3.31Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.36Å; K116-I120 PolarHBondContact O-N 3.43Å; Y117-I120 PolarHBondContact O-N 2.83Å; R118-I120 PolarHBondContact O-N 3.29Å; I120-D123 PolarHBondContact O-N 3.38Å; I120-I124 HydrophobicContact CG2-CD1 3.85Å; I120-I124 WeakPolarHBondContact O-CG1 3.43Å; I120-I124 PolarHBondContact O-N 3.48Å
121N70.7Confident64.4Low101 Ų101117.5 Ų117.554%0.5457%0.569SS.*Hα-helixtrans-60.8-45.2175.4-9660.1000112.2Y117 R118 D123 I124 D125Y117-N121 PolarHBondContact O-N 3.29Å; R118-N121 PolarHBondContact O-N 3.22Å; N121-D123 VanDerWaalsContact C-N 3.31Å; N121-D123 PolarHBondContact O-N 2.82Å; N121-I124 PolarHBondContact O-N 3.21Å; N121-D125 PolarHBondContact O-N 3.27Å
122E74.1Confident64.9Low124 Ų124122.3 Ų122.358%0.57957%0.573SS**Hα-helixtrans-57.5-41.5176.1-73.5172.1-165.200112.4R118 L126R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.77Å; R118-E122 VanDerWaalsContact O-N 3.13Å; E122-L126 VanDerWaalsContact O-CB 3.25Å; E122-L126 WeakPolarHBondContact O-CB 3.43Å; E122-L126 PolarHBondContact O-N 3.19Å
123D71.4Confident65.2Low99 Ų99121.7 Ų121.753%0.52957%0.574SS.*Hα-helixtrans-71.2-34.1180-149.240.6000112K119 I120 N121 M127K119-D123 PolarHBondContact O-N 2.93Å; I120-D123 PolarHBondContact O-N 3.38Å; N121-D123 VanDerWaalsContact C-N 3.31Å; N121-D123 PolarHBondContact O-N 2.82Å; D123-M127 WeakPolarHBondContact O-CB 3.19Å; D123-M127 PolarHBondContact O-N 2.72Å
124I74.4Confident64.9Low84 Ų84124.6 Ų124.643%0.43159%0.594SS.*Hα-helixtrans-67.3-48.9173.4-70.3169000111.2I120 N121 L126 M127 I128I120-I124 HydrophobicContact CG2-CD1 3.85Å; I120-I124 WeakPolarHBondContact O-CG1 3.43Å; I120-I124 PolarHBondContact O-N 3.48Å; N121-I124 PolarHBondContact O-N 3.21Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 3.04Å; I124-M127 WeakPolarHBondContact O-CB 3.37Å; I124-M127 PolarHBondContact O-N 2.94Å; I124-M127 VanDerWaalsContact O-N 3.14Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.79Å
125D74.3Confident64.4Low96 Ų96127 Ų12751%0.51361%0.605SS.*Hα-helixtrans-65-35.4178.6-84.7-30.6000111.8N121 S129N121-D125 PolarHBondContact O-N 3.27Å; D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 3.5Å; D125-S129 PolarHBondContact O-OG 3.35Å
126L73.8Confident63.8Low116 Ų116126.2 Ų126.261%0.60761%0.614SS**Hα-helixtrans-64.4-40.9172.3-168.368000111.4E122 I124 S129 R130E122-L126 VanDerWaalsContact O-CB 3.25Å; E122-L126 WeakPolarHBondContact O-CB 3.43Å; E122-L126 PolarHBondContact O-N 3.19Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 3.04Å; L126-S129 PolarHBondContact O-N 2.63Å; L126-R130 WeakPolarHBondContact O-CB 3.32Å; L126-R130 PolarHBondContact O-N 2.88Å
127M72.5Confident63.5Low109 Ų109124.1 Ų124.154%0.53761%0.614SS.*Hα-helixtrans-66.9-42.5177.2-161.4-179.6-52.800112.4D123 I124 R130 Q131D123-M127 WeakPolarHBondContact O-CB 3.19Å; D123-M127 PolarHBondContact O-N 2.72Å; I124-M127 WeakPolarHBondContact O-CB 3.37Å; I124-M127 PolarHBondContact O-N 2.94Å; I124-M127 VanDerWaalsContact O-N 3.14Å; M127-R130 PolarHBondContact O-N 2.98Å; M127-Q131 WeakPolarHBondContact O-CG 3.48Å; M127-Q131 PolarHBondContact O-N 2.97Å
128I73.9Confident63Low75 Ų75121.7 Ų121.739%0.38562%0.618SS.*Hα-helixtrans-63.5-44.7175-69166.5000110.5I124 R130 Q131 R132I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.79Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 2.96Å; I128-Q131 PolarHBondContact O-N 2.97Å; I128-R132 PolarHBondContact O-N 2.84Å; I128-R132 VanDerWaalsContact O-N 3.09Å
129S69.3Low62Low74 Ų74121.3 Ų121.352%0.51763%0.634SS.*Hα-helixtrans-60.6-39.2176.4-62.40000111.8D125 L126 R132D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 3.5Å; D125-S129 PolarHBondContact O-OG 3.35Å; L126-S129 PolarHBondContact O-N 2.63Å; S129-R132 PolarHBondContact O-N 3.22Å
130R66.7Low60.6Low198 Ų198118.8 Ų118.875%0.74764%0.636SS**Hα-helixtrans-70.4-30.3177.5-156.2175.4-161.2-78.30.7113.4L126 M127 I128L126-R130 WeakPolarHBondContact O-CB 3.32Å; L126-R130 PolarHBondContact O-N 2.88Å; M127-R130 PolarHBondContact O-N 2.98Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 2.96Å
131Q58.3Low59.2Low133 Ų133121.5 Ų121.562%0.62165%0.651SS**Hα-helixtrans-72.7-40.3173.4-73.3-178.81.200112.3M127 I128 L133 C134M127-Q131 WeakPolarHBondContact O-CG 3.48Å; M127-Q131 PolarHBondContact O-N 2.97Å; I128-Q131 PolarHBondContact O-N 2.97Å; Q131-L133 PolarHBondContact O-N 2.99Å; Q131-L133 VanDerWaalsContact O-N 3.17Å; Q131-C134 PolarHBondContact O-N 3Å
132R58.3Low57.5Low211 Ų211127.5 Ų127.580%0.79667%0.668SS**Hα-helixtrans-63.1-21.2-179.3-76.8-169.6175.8-173.51.3114.4I128 S129 C134I128-R132 PolarHBondContact O-N 2.84Å; I128-R132 VanDerWaalsContact O-N 3.09Å; S129-R132 PolarHBondContact O-N 3.22Å; R132-C134 VanDerWaalsContact C-N 3.34Å
133L53.4Low55.5Low159 Ų159128.6 Ų128.683%0.83268%0.678SS**THydrogen-bonded Turntrans-80.5-9.1179.6-138.875000114.6Q131Q131-L133 PolarHBondContact O-N 2.99Å; Q131-L133 VanDerWaalsContact O-N 3.17Å
134C47.5Very low54Low101 Ų101131.5 Ų131.568%0.68269%0.69SS**THydrogen-bonded Turntrans-107.9-13-174.2-67.30000114.9Q131 R132 A136Q131-C134 PolarHBondContact O-N 3Å; R132-C134 VanDerWaalsContact C-N 3.34Å; C134-A136 PolarHBondContact O-N 3.24Å
135Q43.8Very low52.7Low166 Ų166132.6 Ų132.678%0.77670%0.703SS**  trans-93.661-169.1-160.367.528.600113.1
136A45.7Very low51.3Low95 Ų95134.5 Ų134.579%0.78572%0.717SS**  trans-111.952.4-177.500000113.4C134C134-A136 PolarHBondContact O-N 3.24Å
137V49.6Very low49.6Very low116 Ų116134.3 Ų134.370%0.70373%0.726SS**SBendtrans-138.1132.3176.2-173.50000109.2
138P44.1Very low48.2Very low112 Ų112136.2 Ų136.273%0.72774%0.737SS**PPolyproline II helixtrans-74.8150.3-176.330.4-35.8000112.9
139P44.4Very low46.6Very low128 Ų128138.7 Ų138.783%0.83176%0.757SS**PPolyproline II helixtrans-75.4128.9179.330.4-33.9000111.8
140S35.8Very low45Very low105 Ų105141.7 Ų141.773%0.73477%0.773SS**PPolyproline II helixtrans-86.6137.3167.4-166.20000110.2
141N41Very low43.4Very low150 Ų150137.4 Ų137.480%0.80277%0.774SS**PPolyproline II helixtrans-76.3131.3169.5-74.2-96.7000109.2
142Y35.1Very low42.2Very low227 Ų227138.2 Ų138.289%0.8978%0.782SS**  trans-150.5133.3143.8-90.1-63.6000110.3
143D33.2Very low41.1Very low147 Ų147136 Ų13679%0.78678%0.781SS**  trans-102.8152.6178.5-169.94.8000109.6
144M39.4Very low40.2Very low159 Ų159135.9 Ų135.978%0.78378%0.781SS**  trans-141.198.2-173.4-83.9-64.2-61.400111.7
145P47.8Very low39.4Very low108 Ų108136.9 Ų136.970%0.70178%0.779SS**  trans-80.3139.5179.731.7-34.1000112.4
146V43.2Very low39.2Very low135 Ų135136.3 Ų136.382%0.81878%0.781SS**  trans-121.6113.3166.7177.70000109
147S38.7Very low38.7Very low113 Ų113137.1 Ų137.179%0.7977%0.771SS**  trans-88.3136.2-174.4-52.20000112.4
148I43.3Very low37.8Very low149 Ų149142.1 Ų142.176%0.76478%0.779SS**  trans-123.2128.6165.7-58.5-179.8000108
149P40.5Very low37.1Very low126 Ų126141.3 Ų141.382%0.81878%0.775SS**  trans-75.9156.3-172.329.9-35.6000114
150T34.7Very low36.5Very low137 Ų137143.7 Ų143.784%0.8478%0.775SS**  trans-104.6146.7-168.653.20000114.9
151S34.3Very low37.1Very low109 Ų109144.8 Ų144.876%0.76278%0.78SS**  trans-147.8105.714257.80000109
152N33Very low36.7Very low149 Ų149141.5 Ų141.580%0.79778%0.782SS**  69.1127.196.2-102-14.4000113.5
153Q35.8Very low36.4Very low166 Ų166134.4 Ų134.478%0.77678%0.777SS**  cis-144164.416.4-66.2-173.3-23.100114.7
154N32.8Very low36.4Very low156 Ų156132.5 Ų132.583%0.83478%0.776SS**  trans87.2135151.9-142.66000118.9
155N32.3Very low36.4Very low121 Ų121133.1 Ų133.165%0.64778%0.781SS**  trans-162.8126.5-168.8173.627.8000110.2
156L39.6Very low35.8Very low155 Ų155131.6 Ų131.681%0.81279%0.785SS**  trans-158.8113.7164.4-92.3127.6000106.6
157I33.6Very low35.4Very low112 Ų112133.1 Ų133.157%0.57479%0.789SS**  cis99.411538-67.4168.6000111.8
158Y30.6Very low35.3Very low221 Ų221136.1 Ų136.187%0.86779%0.79SS**  trans68.8151.4166.3-79-148000116.3
159S30.7Very low34.9Very low94 Ų94136.4 Ų136.466%0.65779%0.793SS**  cis-155.7173.2-6-121.30000112.7
160H31Very low34.6Very low178 Ų178138.3 Ų138.382%0.82480%0.796SS**  trans-74.9178.3172.6-49-74.8000113
161P48.9Very low34.9Very low128 Ų128139.3 Ų139.383%0.83180%0.795SS**  cis-134.1164.5-41.331.3-13.7000115
162G31.6Very low35.7Very low82 Ų82139.5 Ų139.585%0.84579%0.794SS**  trans93.8163.6143.800000119.3
163G30.3Very low35.6Very low77 Ų77140.3 Ų140.379%0.79480%0.797SS**  trans107.4102.2157.400000119.1
164S31.9Very low35.5Very low108 Ų108136.5 Ų136.576%0.75579%0.794SS**  trans70.2118.1140.9-151.50000122.4
165L39.2Very low35.7Very low171 Ų171137.5 Ų137.590%0.89579%0.793SS**  trans33.5116.6131.7-52.7174000119.9
166G35.3Very low35.6Very low76 Ų76141 Ų14178%0.78481%0.805SS**  trans-171.579.1168.100000115
167N34.7Very low35.2Very low167 Ų167137.4 Ų137.489%0.89381%0.806SS**  trans-80.7126.5170.5-115-11.7000110.5
168H37.6Very low35.5Very low176 Ų176140.2 Ų140.282%0.81582%0.821SS**  trans-168125.3138.244.1-81.5000112
169N33.7Very low35.8Very low155 Ų155137.9 Ų137.983%0.82982%0.818SS**  trans-66.7142.1151.7-76.5-38.5000108.4
170L34.5Very low36Very low167 Ų167143.1 Ų143.187%0.87482%0.823SS**  -176137.5126.4-97.9162.1000111.4
171L42.2Very low36.1Very low158 Ų158141.7 Ų141.783%0.82782%0.822SS**  trans-120.1172.5169.5-78.3172.8000107.4
172P49.2Very low35.4Very low113 Ų113140.1 Ų140.173%0.73481%0.814SS**  cis-127.9-176.5-20.729.7-10.1000111.9
173L32.6Very low35.5Very low165 Ų165145.4 Ų145.486%0.86482%0.819SS**  trans-141.6149.2151.8-151.770.7000110.5
174A33Very low35.9Very low86 Ų86147.1 Ų147.171%0.71182%0.819SS**  trans-123149.2-170.800000112.2
175H36.5Very low36.7Very low178 Ų178148 Ų14882%0.82482%0.822SS**  trans-142.2146.5168.5-83.4-74.6000112.2
176H30.7Very low36.3Very low194 Ų194143.7 Ų143.790%0.89882%0.819SS**  trans-94.6154.3174-72.6-114.2000111.1
177G31.9Very low36.4Very low80 Ų80146.2 Ų146.283%0.82582%0.818SS**  trans-168.5102.217100000113
178L39.4Very low36.3Very low170 Ų170145 Ų14589%0.8982%0.818SS**  trans-81.5150.9-174.6-65164.4000113.6
179Q37.4Very low36.2Very low173 Ų173144.8 Ų144.881%0.80882%0.817SS**  trans-147.5164.5142.7-103.1-56.2-8.500112.3
180R33.3Very low36.4Very low204 Ų204148.4 Ų148.477%0.7782%0.819SS**  trans-94.3149.7-163.8-63.7162141.2-107.14.9114.3
181N34.4Very low36.7Very low147 Ų147146.1 Ų146.179%0.78681%0.814SS**  -170.3176.896.7-106.2-11.8000113.2
182S33.2Very low36.9Very low96 Ų96144.3 Ų144.367%0.67181%0.811SS**  trans-128.3144.2-154.455.10000114.9
183M35.2Very low36.3Very low193 Ų193145 Ų14595%0.95182%0.819SS**  trans-165.6161.1136.4-105.9167-171.300110.6
184S37.3Very low36.6Very low113 Ų113141.9 Ų141.979%0.7982%0.817SS**  trans-133.6-175.3-166-53.90000110.9
185P50Low36.5Very low127 Ų127141.8 Ų141.883%0.82582%0.824SS**  -121.5163.7-61.436.1-23.5000111.8
186G30.4Very low36.4Very low80 Ų80136.6 Ų136.683%0.82582%0.819SS**  trans-138.9105.8176.600000113.2
187V36.4Very low36.7Very low128 Ų128134.6 Ų134.678%0.77681%0.814SS**  trans-113.4122.2173.9173.50000109.1
188T33.6Very low37Very low143 Ų143139.2 Ų139.288%0.87782%0.816SS**  trans-164.6160.8145.51.80000113.8
189H34.6Very low36.7Very low171 Ų171134.5 Ų134.579%0.79281%0.809SS**  trans-79.4150.8-168.9-74.5-119.8000114.9
190R37.6Very low36.7Very low231 Ų231130.5 Ų130.587%0.87281%0.806SS**  trans-33.7127.4155.4178.9-167.9-168.8-162.56.2114.1
191P42.2Very low36.6Very low119 Ų119127.7 Ų127.777%0.77381%0.806SS**  trans-89.7149.3173.235-34.4000113.4
192P45.3Very low36.7Very low119 Ų119127.6 Ų127.677%0.77380%0.804SS**  trans-129.1138.8154.636.3-23.9000112.6
193S36.7Very low36.7Very low129 Ų129128.7 Ų128.790%0.90281%0.807SS**  trans-163.9151.4173.2-86.20000110.6
194A39.9Very low36.6Very low99 Ų99126.3 Ų126.382%0.81880%0.804SS**  cis-165.7161.6-18.300000110.1
195G30.9Very low36.3Very low83 Ų83124.7 Ų124.786%0.85681%0.805SS**  trans114.6124.3167.500000114.8
196G34.4Very low35.6Very low70 Ų70123.9 Ų123.972%0.72281%0.809SS**  cis167161.4-9.900000113.8
197L35.7Very low35.6Very low151 Ų151123.4 Ų123.479%0.79180%0.804SS**  trans79.8124.8169.1-53.4178.6000118.7
198M39.3Very low35.4Very low177 Ų177123.6 Ų123.687%0.87281%0.806SS**  trans54.2132.7163.2-15.2-55.6-17200119.2
199G33.3Very low35.3Very low72 Ų72122.3 Ų122.374%0.74280%0.802SS**  cis156138.1-800000112.3
200A36.8Very low35.3Very low89 Ų89119.4 Ų119.474%0.73681%0.808SS**  trans62.1146.1175.100000117.7
201D31.4Very low35.1Very low144 Ų144112 Ų11277%0.7780%0.804SS**  cis-156.9165.8-19.7-107.3-35.6000112.2
202L35.6Very low34.5Very low145 Ų145114.6 Ų114.676%0.75981%0.811SS**  trans-10.1151.8154.1-51.7173.1000118.5
203T33.8Very low33.8Very low120 Ų120111.2 Ų111.274%0.73680%0.797SS**  cis-165.6164.31.610.30000113.2
204T33.3Very low33.6Very low143 Ų143116.5 Ų116.588%0.87780%0.799SS**  trans-24145.6152.4-370000118.1
205G31Very low33.2Very low78 Ų78115.2 Ų115.280%0.80480%0.796SS**  trans163.8141.8154.900000115.6
206A35Very low33.4Very low111 Ų111118 Ų11892%0.91779%0.791SS**  trans-136.4141.8169.800000110
207G30.3Very low33.5Very low69 Ų69122 Ų12271%0.71179%0.791SS**  trans146.4121.2169.900000116.6
208T32.3Very low33.4Very low133 Ų133125 Ų12582%0.81679%0.792SS**  trans41101.4138.854.40000120.9
209S31.8Very low33.1Very low115 Ų115123.4 Ų123.480%0.80479%0.786SS**  46.9103.6124.963.40000121.2
210A34.5Very low33.1Very low111 Ų111125.1 Ų125.192%0.91779%0.787SS**  -150.9154.9129.700000108.2
211G32.9Very low34.1Very low76 Ų76127.2 Ų127.278%0.78479%0.793SS**  trans-160.4175.2-178.200000112.7
212N30.5Very low34Very low173 Ų173124 Ų12493%0.92579%0.794SS**  trans-159.6150.4173.4-150.110.1000112.7
213G30.1Very low34Very low47 Ų47125 Ų12549%0.48580%0.799SS.*  trans105.184.9154.300000120.2
214Y32.8Very low33.9Very low240 Ų240127.1 Ų127.194%0.94181%0.805SS**  trans61.9138.5147.4-47.9-79.7000119.9
215G32.2Very low33.9Very low73 Ų73127.4 Ų127.475%0.75381%0.807SS**  cis-161.5174.73.700000115.2
216N34.5Very low33.9Very low141 Ų141128.4 Ų128.475%0.75480%0.801SS**  trans-100.5173.9-164.8-77.8-19.5000112.8
217H37.5Very low33.6Very low153 Ų153129.4 Ų129.471%0.70880%0.802SS**  cis-166.6157-10.8-111.9-6000111.7
218R33.4Very low33.7Very low216 Ų216130.3 Ų130.382%0.81581%0.81SS**  trans32.9142.3141.8-87-173.7164.7-177.2-4.4125.3
219N33Very low33.7Very low142 Ų142127.2 Ų127.276%0.75981%0.805SS**  trans93145136-83.648.2000122.8
220S32.2Very low33.9Very low109 Ų109130.4 Ų130.476%0.76281%0.81SS**  trans-100.8-168.3-176.3-22.60000111.7
221P58.9Low33.8Very low132 Ų132131.5 Ų131.586%0.85780%0.8SS**  cis-130.7-175.9-8.940-22.5000114.3
222G27.8Very low34.1Very low76 Ų76137.6 Ų137.678%0.78481%0.805SS**  trans-166.3154171.600000114.7
223L37.2Very low34.3Very low166 Ų166134.9 Ų134.987%0.86979%0.79SS**  trans-129172.9179.8-75.9169.7000110.7
224L30.3Very low34.7Very low165 Ų165140.8 Ų140.886%0.86481%0.807SS**  trans76.4116162.7-45.3179.2000118.3
225V33.9Very low35.2Very low150 Ų150137.4 Ų137.491%0.90980%0.8SS**  -156.7166.9116.579.80000109.3
226S30.1Very low35.2Very low99 Ų99138.4 Ų138.469%0.69280%0.801SS**  trans-119.9170.7-155.7-52.10000115.5
227S29.3Very low35.2Very low132 Ų132142 Ų14292%0.92381%0.81SS**  trans79.1124.6148.8-590000119.5
228G31.7Very low35.3Very low87 Ų87140 Ų14090%0.89781%0.814SS**  trans-175.449.8174.500000112.4
229G32.4Very low36.3Very low69 Ų69135.2 Ų135.271%0.71181%0.811SS**  trans-109.2169.4-172.600000115.5
230M35.9Very low37.4Very low182 Ų182133.7 Ų133.790%0.89781%0.808SS**  trans7298.4166.473.6158.768.500121.1
231N34.1Very low38.1Very low133 Ų133134.5 Ų134.571%0.71181%0.811SS**  58.8118.8108.9-171.218.5000120.6
232K38.3Very low37.3Very low205 Ų205137.1 Ų137.189%0.89181%0.814SS**  -163.3106.8123-105.1156.6-170.5175.80115.9
233N35.2Very low38Very low115 Ų115140.7 Ų140.762%0.61582%0.816SS**  trans-25.1143.2156.6173.872.2000119.4
234M38.5Very low38.1Very low171 Ų171141.1 Ų141.184%0.84282%0.818SS**  trans-157.9162.5144.4-90.1-101.791.500109.6
235Q42.5Very low38.3Very low169 Ų169136.4 Ų136.479%0.7981%0.809SS**  trans-116.5151.3-159.4-59.2168.8-27.600115.2
236A32.4Very low38.6Very low94 Ų94137.6 Ų137.678%0.77781%0.807SS**  trans-160.4116.1148.900000114.8
237K34.3Very low38.9Very low216 Ų216140.7 Ų140.794%0.93982%0.816SS**  trans52.2130.1147.3-60.4-178.4178.7179.60121.6
238S40.5Very low39.6Very low113 Ų113141.2 Ų141.279%0.7981%0.808SS**  trans-147.4142.7165.5175.50000110.4
239P52.9Low39.9Very low115 Ų115148.7 Ų148.775%0.74781%0.809SS**  trans-100.8162.1163.130.4-17.7000112.8
240P57.8Low40.4Very low109 Ų109154.7 Ų154.771%0.70882%0.816SS**  trans-111.1166.2-147.340.8-36.3000116.3
241P46.1Very low40.7Very low127 Ų127152.1 Ų152.183%0.82581%0.813SS**  trans-80.5137.1149.833.9-30.1000110.5
242M42.1Very low40.8Very low187 Ų187150.5 Ų150.592%0.92180%0.804SS**  trans-85.4141.6170.3-67.8-165.8-62.500111.5
243N42.9Very low41.1Very low151 Ų151149 Ų14981%0.80781%0.805SS**  trans-138.1129.7160.5-179.7-30000107.4
244L39.2Very low41.7Very low174 Ų174152.9 Ų152.991%0.91181%0.811SS**  trans-154.3135.7166.1-148.476.7000112
245G34.2Very low42Very low67 Ų67151.1 Ų151.169%0.69181%0.809SS**  trans98.192.8151.800000117
246M39.5Very low41.9Very low175 Ų175150.8 Ų150.886%0.86281%0.812SS**  trans-59.3146.8157.4-76.577.377.800111.1
247N36.2Very low42.7Very low163 Ų163153.3 Ų153.387%0.87281%0.811SS**  trans-143.2148.6144.6-106.8-59.3000111.1
248N44.4Very low43.4Very low143 Ų143148 Ų14877%0.76580%0.798SS**  trans-77.3134.4-172-72.9-55.5000112.5
249R38.5Very low43.9Very low244 Ų244148.8 Ų148.892%0.92180%0.801SS**  171130123.4-88147.9-161.6-145.43110.8
250K42.3Very low43.1Very low195 Ų195147.1 Ų147.185%0.84881%0.805SS**  trans-93.3138.1165-64.9179.7178.9-178.80109.2D252K250-D252 PolarHBondContact O-N 3.37Å
251P43.4Very low42.1Very low129 Ų129147 Ų14784%0.83881%0.813SS**  trans-78.9107157.131-28000108.7
252D36.4Very low41.9Very low98 Ų98149.9 Ų149.952%0.52481%0.813SS.*  trans-108.2102.1174.4-175-2.2000108.4K250 R254K250-D252 PolarHBondContact O-N 3.37Å; D252-R254 VanDerWaalsContact C-N 3.33Å; D252-R254 PolarHBondContact O-N 3.47Å; D252-R254 WeakPolarHBondContact OD1-CG 3.34Å; D252-R254 IonicContact OD1-NE 3.5Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.63Å; D252-R254 PolarHBondContact OD2-NE 2.77Å; D252-R254 IonicContact OD2-NH2 3.28Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å
253L43.6Very low41.5Very low173 Ų173148.3 Ų148.391%0.90681%0.808SS**  trans-80.976.3-172-109167.5000111
254R47.5Very low41.1Very low198 Ų198148.6 Ų148.675%0.74781%0.809SS**  trans-85.5126.9176.7-59.2-171.1-172.6-174.44111.2D252 L256D252-R254 VanDerWaalsContact C-N 3.33Å; D252-R254 PolarHBondContact O-N 3.47Å; D252-R254 WeakPolarHBondContact OD1-CG 3.34Å; D252-R254 IonicContact OD1-NE 3.5Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.63Å; D252-R254 PolarHBondContact OD2-NE 2.77Å; D252-R254 IonicContact OD2-NH2 3.28Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; R254-L256 PolarHBondContact O-N 2.83Å
255V44.3Very low40.9Very low134 Ų134147 Ų14781%0.81280%0.799SS**  trans-65.3122.4173178.40000109.5
256L41.4Very low41.7Very low161 Ų161149.6 Ų149.684%0.84380%0.804SS**  trans-87.3113.4178.8-169.477000110.2R254R254-L256 PolarHBondContact O-N 2.83Å
257I48.8Very low41.8Very low147 Ų147145.7 Ų145.775%0.75479%0.794SS**PPolyproline II helixtrans-97.8118.9171.4-60174.7000108.5
258P48.6Very low41.8Very low104 Ų104145.9 Ų145.968%0.67579%0.793SS**PPolyproline II helixtrans-70.3143.6172.7-18.432.7000112.1
259P52.5Low41.3Very low131 Ų131145.9 Ų145.985%0.85179%0.793SS**PPolyproline II helixtrans-74147.7176.831.4-35000112.1
260G36.4Very low41Very low80 Ų80142.4 Ų142.483%0.82579%0.787SS**PPolyproline II helixtrans-82.1152.4-17300000115.7
261A36.3Very low40.7Very low107 Ų107143.6 Ų143.688%0.88479%0.786SS**PPolyproline II helixtrans-90.2160.9164.200000111.2
262K42.3Very low40.4Very low186 Ų186143.8 Ų143.881%0.80978%0.779SS**  trans-117.8153-177-66.3-176.7178.1-179.90112.2
263N32.4Very low40.1Very low155 Ų155145.7 Ų145.783%0.82979%0.789SS**  trans70.7152.2167.9-43.1-31000114.3
264N34.3Very low39.6Very low156 Ų156143.5 Ų143.583%0.83478%0.779SS**  cis-141.2160.9-2.4-161.713000110.6
265M35.5Very low39.1Very low140 Ų140138 Ų13869%0.6977%0.771SS**  trans-89161.4168.4-134.1-131.6-62.900110.4S267M265-S267 PolarHBondContact SD-N 3.34Å; M265-S267 VanDerWaalsContact SD-N 3.39Å
266P50.2Low38.8Very low123 Ų123140.3 Ų140.380%0.79977%0.773SS**  -143.4167.292.838.9-24.5000115.4
267S43.2Very low38.5Very low93 Ų93138.1 Ų138.165%0.6577%0.77SS**  trans-92.4147.2172173.40000111M265M265-S267 PolarHBondContact SD-N 3.34Å; M265-S267 VanDerWaalsContact SD-N 3.39Å
268I34.8Very low37.7Very low167 Ų167135.2 Ų135.286%0.85677%0.769SS**  trans-148.9161.7153.5-150.958.1000111.3
269N33.7Very low37.1Very low143 Ų143139.6 Ų139.677%0.76578%0.78SS**  trans-123.8173.4-174.6-139.2-45.5000109.9
270Q33.7Very low36.2Very low170 Ų170139.4 Ų139.479%0.79478%0.782SS**  trans83108.6170.3-52.3-169.17.800120.8
271R35.1Very low36.3Very low220 Ų220144.5 Ų144.583%0.8379%0.789SS**  59.9124103.8-150.1-166.9-158-126.14.5120.3
272I36.8Very low36.5Very low134 Ų134143.9 Ų143.969%0.68778%0.784SS**  157.8127.5124.9-83.2162.4000113
273N31.6Very low36.3Very low137 Ų137141.8 Ų141.873%0.73379%0.787SS**  trans54.7157.2156.2-74.98.5000121.4
274N32.3Very low36.8Very low128 Ų128140 Ų14068%0.68478%0.784SS**  cis-152163.1-8.1-133.1-2.2000114
275S37.1Very low36.9Very low83 Ų83139.1 Ų139.158%0.5878%0.784SS**  trans45.4119.6145.4-57.90000123.9
276Q37.1Very low36.9Very low182 Ų182138.2 Ų138.285%0.8579%0.786SS**  49.8125.7129.2-52.4179.911.100119
277S35.5Very low36.2Very low114 Ų114137.8 Ų137.880%0.79779%0.786SS**  178.7179.462.750.20000112.8
278A32.3Very low36Very low87 Ų87139.6 Ų139.672%0.71979%0.793SS**  trans70.1101.4160.700000120.7
279Q36.8Very low36.1Very low195 Ų195135.8 Ų135.891%0.91179%0.787SS**  trans48.1127.7130.9-60.1-179.8-1.900121.6
280S33.7Very low36.2Very low128 Ų128135.3 Ų135.390%0.89579%0.789SS**  trans-144.6145.3152.3-81.40000110.1
281L38.5Very low36.8Very low186 Ų186133 Ų13397%0.97479%0.788SS**  trans-88.8129.1-176-72.7154.2000111.1
282A39Very low36.9Very low95 Ų95128.6 Ų128.679%0.78579%0.787SS**  trans-150.2132.9163.900000110
283T37.8Very low37Very low141 Ų141130.4 Ų130.487%0.86580%0.796SS**PPolyproline II helixtrans-83.2124.5-176.847.50000111.8
284P44.3Very low37.7Very low119 Ų119130 Ų13077%0.77380%0.801SS**PPolyproline II helixtrans-77.7148.7174.131.8-34.2000112.2
285V35.4Very low37.7Very low137 Ų137127.8 Ų127.883%0.8381%0.809SS**PPolyproline II helixtrans-71.1138.8170.5173.90000110
286V36.8Very low37.7Very low120 Ų120133.4 Ų133.473%0.72783%0.826SS**  trans-93.2110.7178.5179.10000110.6V288V286-V288 HydrophobicContact CG1-CG2 3.73Å
287S34.8Very low37.5Very low114 Ų114127.7 Ų127.780%0.79782%0.816SS**  trans-105.4117.2163-66.20000108.8
288V38.4Very low37.5Very low131 Ų131131 Ų13179%0.79482%0.821SS**  trans-94.5120.8-178.2-170.80000110.1V286V286-V288 HydrophobicContact CG1-CG2 3.73Å
289A38Very low37.6Very low88 Ų88131.1 Ų131.173%0.72783%0.83SS**  trans-148.6116.617300000110.9
290T34.5Very low37.4Very low133 Ų133125.5 Ų125.582%0.81682%0.824SS**  trans175.2162.3167.913.30000109
291P47.7Very low37.5Very low120 Ų120130.7 Ų130.778%0.77983%0.826SS**  cis-125.3-171.5-22.136.9-19.9000112.2
292T35.9Very low38.1Very low129 Ų129126.8 Ų126.879%0.79181%0.812SS**  trans-98.2158.9177.945.50000113.6
293L38.6Very low37.9Very low171 Ų171128 Ų12890%0.89582%0.815SS**  trans-164157.5144.6-126.372.8000109.8
294P47.5Very low37.8Very low129 Ų129125.2 Ų125.284%0.83881%0.806SS**  trans-105162.2-169.738.9-32.1000115.2
295G33Very low37.6Very low81 Ų81127.4 Ų127.484%0.83581%0.809SS**  trans-155.3161.8174.700000112.8
296Q35.3Very low37.3Very low202 Ų202126.6 Ų126.694%0.94481%0.81SS**  trans-100.2159.5-172.8-61-178.8-5.900113.8
297G33.3Very low37.2Very low62 Ų62127.6 Ų127.664%0.63982%0.816SS**  trans123.813113200000118.6
298M36.7Very low37Very low184 Ų184127.4 Ų127.491%0.90682%0.815SS**  trans48.5118.5152.5-90.953.876.900120.9
299G34.4Very low36.8Very low88 Ų88132.4 Ų132.491%0.90782%0.821SS**  trans-79.7175.7-17900000117.8
300G31.8Very low36.6Very low77 Ų77131.6 Ų131.679%0.79482%0.822SS**  trans-170.6131.1174.300000110
301Y35.1Very low36.6Very low237 Ų237131.7 Ų131.793%0.92982%0.823SS**  trans-82175.9176.8-78.2-84000111.7
302P52.4Low35.9Very low105 Ų105133.2 Ų133.268%0.68282%0.819SS**  cis-135.4171.4-2.4240.1000117
303S34.7Very low35.9Very low121 Ų121136.4 Ų136.485%0.84682%0.818SS**  trans69.3155153-63.60000118.6
304A36.2Very low35.7Very low82 Ų82133.6 Ų133.668%0.67881%0.813SS**  cis-149.615722.400000115.8
305I38.8Very low35.2Very low164 Ų164135.6 Ų135.684%0.84182%0.815SS**  trans33.4122.715565.4-175.2000122.1
306S30.2Very low35.1Very low121 Ų121139.5 Ų139.585%0.84682%0.817SS**  trans-80.4154.8167.1-470000113.1
307T33Very low35Very low140 Ų140134.7 Ų134.786%0.85981%0.806SS**  trans-135.6130.9160.1-67.90000108.5
308S32Very low35.2Very low110 Ų110136.3 Ų136.377%0.76981%0.813SS**  trans-120.8116.7-170.157.20000112.8
309Y34.3Very low35.2Very low236 Ų236135.8 Ų135.893%0.92581%0.814SS**  trans-135.1138.1156.9-97-89000107.6
310G32.3Very low35.3Very low72 Ų72139.2 Ų139.274%0.74281%0.811SS**  trans-146.4139.4-179.200000111.3
311T35.7Very low35.4Very low135 Ų135140.9 Ų140.983%0.82881%0.811SS**  trans-15196.4-173.548.30000111.6
312E32.6Very low35.4Very low151 Ų151135 Ų13571%0.70680%0.804SS**  trans-166.3149.3170.345-177.8-137.900106.8
313Y36Very low34.6Very low196 Ų196137.7 Ų137.777%0.76981%0.812SS**  cis-133.418017.5-74-96.2000112.3
314S34.3Very low34.6Very low112 Ų112137.6 Ų137.678%0.78381%0.811SS**  trans-118.7137.3178.3-68.70000114.1
315L37.7Very low34.3Very low171 Ų171137.2 Ų137.290%0.89582%0.815SS**  trans36126.8147.5-55.7176.8000120.9
316N29.6Very low34Very low164 Ų164138.9 Ų138.988%0.87782%0.817SS**  -155.4166.9107.6-158.414.3000111.5
317S33.9Very low34.1Very low101 Ų101139.4 Ų139.471%0.70681%0.81SS**  trans-115.3136.9-176.461.40000113.9
318A37.3Very low34.1Very low96 Ų96138.3 Ų138.379%0.79381%0.808SS**  trans-174.7115.313700000110.7
319D36.7Very low34.1Very low172 Ų172136.8 Ų136.892%0.9281%0.81SS**  trans-160.8150.3146.1-112-33.7000109.8
320L37.1Very low33.9Very low160 Ų160131 Ų13184%0.83880%0.804SS**  trans-130.5143.7-164.8-89.2168.5000114
321S33Very low33.8Very low113 Ų113132.2 Ų132.279%0.7980%0.801SS**  trans61.394.1147.2-59.90000119.6
322S35.4Very low33.7Very low114 Ų114134 Ų13480%0.79781%0.805SS**  trans-141.895.1150.652.40000114.1
323L36.1Very low33.7Very low161 Ų161134.6 Ų134.684%0.84381%0.807SS**  trans60.8103.6144.1-62.5170.9000121.8
324S34.5Very low33.4Very low118 Ų118132.7 Ų132.783%0.82581%0.809SS**  59.1133.612566.50000123
325G30.6Very low33.1Very low74 Ų74130.8 Ų130.876%0.76381%0.807SS**  trans16876.5160.400000118.9
326F31.3Very low32.9Very low200 Ų200127.9 Ų127.988%0.87780%0.802SS**  trans25.9102.5156.5-75.6-90.9000122.8
327N32.7Very low33.2Very low132 Ų132128.4 Ų128.471%0.70680%0.801SS**  58.1113.8105.8-160.620.8000122.9
328S32.5Very low33.1Very low116 Ų116129.5 Ų129.581%0.81181%0.808SS**  trans61.7148.1145.9-66.80000122.7
329G32.3Very low33.1Very low79 Ų79128.4 Ų128.481%0.81481%0.806SS**  trans163.190.2163.300000115.9
330S30.8Very low32.9Very low114 Ų114132.4 Ų132.480%0.79781%0.809SS**  trans-76.6149.6-177.8-530000115.3
331S31Very low32.7Very low98 Ų98132.6 Ų132.669%0.68581%0.805SS**  trans51.1119.7138.564.30000122.5
332L33.5Very low32.7Very low173 Ų173134.5 Ų134.591%0.90680%0.802SS**  trans73.7141.5133-61.8171.9000122.2
333H31Very low32.6Very low162 Ų162137 Ų13775%0.7580%0.801SS**  trans93.785147.4-150.9-74.2000121.8
334L29.5Very low32.3Very low156 Ų156136.7 Ų136.782%0.81780%0.795SS**  28112.4126.9-168.871.8000120
335G29.6Very low32.3Very low72 Ų72136.8 Ų136.874%0.74279%0.786SS**  trans87.7148.4157.900000116.3
336S32.8Very low32.6Very low111 Ų111140.7 Ų140.778%0.77678%0.784SS**  cis-160.9147.3-4.9-168.10000111.9
337M35Very low32.6Very low175 Ų175136.1 Ų136.186%0.86277%0.769SS**  trans42.2136.9154.7-67.4-73101.300122.1
338S32.4Very low32.8Very low123 Ų123136.6 Ų136.686%0.8677%0.768SS**  trans-130.7127.815254.60000110.7
339G37.1Very low32.9Very low73 Ų73137.2 Ų137.275%0.75376%0.759SS**  trans-178.1134.5-17700000109.6
340W32.3Very low33.1Very low256 Ų256141.2 Ų141.297%0.9776%0.756SS**  trans-89.8140-168.7-86.153.2000113.2
341Q32.2Very low33.6Very low164 Ų164140.9 Ų140.977%0.76675%0.753SS**  -176.3118.5110.6-174.4159.71.700112.4
342Q34Very low34Very low153 Ų153140.5 Ų140.572%0.71576%0.756SS**  trans53.3120.5146.9-151.3159.37.800118.3
343Q33.2Very low34.3Very low168 Ų168139.7 Ų139.779%0.78575%0.752SS**  -172.5157.550.3-152.3179.69.600113.4
344H29.7Very low34.5Very low153 Ų153136.4 Ų136.471%0.70875%0.747SS**  trans75.1100.4148.4-138.4-118.5000124.7
345L35.3Very low35Very low121 Ų121137.3 Ų137.363%0.63475%0.747SS**  72.6108.7127-13475.2000124.7
346Q35.3Very low35.3Very low155 Ų155141.6 Ų141.672%0.72475%0.752SS**  trans68153.2134.9-77-16659.200122.1
347N33.3Very low35.3Very low105 Ų105139.7 Ų139.756%0.56175%0.75SS**  cis-170.2130.1-6.7167.3-39.5000113.4
348M36.4Very low35.3Very low142 Ų142139.2 Ų139.270%0.775%0.751SS**  trans52.7175.4160.6-56.8-166.4-6000121
349Q35Very low35.3Very low129 Ų129138.1 Ų138.160%0.60374%0.742SS**  cis-158.7137.88.4-153.9149.714.200117.8
350H35.7Very low35Very low163 Ų163141 Ų14176%0.75575%0.751SS**  trans60.8-179.4151.4-72.1178.3000120.9
351S41.3Very low34.8Very low107 Ų107134.1 Ų134.175%0.74874%0.742SS**  cis177.1170.3-40.8-74.20000108.4
352A38.8Very low34.7Very low90 Ų90131.4 Ų131.474%0.74474%0.741SS**  cis-171.3-177-27.200000106.7
353L39.7Very low34.6Very low155 Ų155132.2 Ų132.281%0.81274%0.744SS**  cis-166.1176.90.9-156.972.2000110.3
354S35.3Very low34.5Very low93 Ų93131 Ų13165%0.6574%0.743SS**  trans75.1144.6159.3-56.70000120.4
355Q39.5Very low34.5Very low176 Ų176128.3 Ų128.382%0.82274%0.74SS**  cis96.9142.722.1-68.8-176.4-1.400115.3
356L37.1Very low34.4Very low162 Ų162132 Ų13285%0.84875%0.753SS**  cis-162.7156.85.6-155.175.5000114.4
357G33.5Very low34.3Very low71 Ų71127.8 Ų127.873%0.73275%0.752SS**  trans80.9171.3154.200000119.7
358N33.8Very low34.5Very low165 Ų165128.2 Ų128.288%0.88276%0.763SS**  cis-159.9-174.1-21-158.644.7000111
359C32.2Very low34.4Very low99 Ų99128.8 Ų128.867%0.66977%0.769SS**  trans-102.7160.3-167.162.20000118
360S31Very low34.2Very low134 Ų134130.7 Ų130.794%0.93778%0.783SS**  trans-174.3-176.6157.9-88.70000113.9
361S28.7Very low34.2Very low111 Ų111128.4 Ų128.478%0.77679%0.785SS**  trans-131.7164.6-157.1-171.70000116.6
362S30Very low34Very low108 Ų108131 Ų13176%0.75579%0.79SS**  trans97.4129.8144.680.90000123
363H31Very low34Very low170 Ų170132.7 Ų132.779%0.78779%0.793SS**  trans86.6152.5135.4-147.5-138.2000122.9
364L31.5Very low33.8Very low143 Ų143130.9 Ų130.975%0.74979%0.793SS**  trans72.8163167.4-85.2158.6000120.5
365C31.1Very low33.9Very low95 Ų95130.3 Ų130.364%0.64279%0.794SS**  trans-134.6149.2-159.157.70000112.2
366Q32.2Very low33.8Very low198 Ų198131.5 Ų131.593%0.92580%0.8SS**  trans-173.2162.8141.8-100.2145.457.400109.1
367G32.6Very low33.8Very low67 Ų67129.2 Ų129.269%0.69180%0.797SS**  trans-110.6-170.6-170.200000114.7
368S37.8Very low34.1Very low115 Ų115133.9 Ų133.980%0.80481%0.805SS**  trans103.5127175.1-48.60000115.8
369N33.7Very low34.4Very low154 Ų154133.7 Ų133.782%0.82480%0.798SS**  trans47.2106.5155.4-68.3-68000119.4
370L32.2Very low34.8Very low169 Ų169136.8 Ų136.889%0.88581%0.806SS**  trans-122.2128.8141.6-80.7175.3000110.2
371S34.8Very low35.1Very low115 Ų115139 Ų13980%0.80480%0.799SS**  trans-72.1148.9177.342.30000112.2
372L36.6Very low36Very low161 Ų161139 Ų13984%0.84380%0.799SS**  trans-117145.2162.2-82.686.1000110.3
373P39Very low37.1Very low125 Ų125142.5 Ų142.581%0.81280%0.803SS**  trans-83.9148.4178.733.4-34.8000113.8
374S35.6Very low37.9Very low117 Ų117140.1 Ų140.182%0.81880%0.803SS**  trans-49.5153.8156.5170.80000112.9
375A38.6Very low38.6Very low81 Ų81140.2 Ų140.267%0.66981%0.809SS**  cis-174.7165-20.600000108.4
376Q36.5Very low39.3Very low202 Ų202140.7 Ų140.794%0.94481%0.814SS**  trans-138148.7151.9-73.2-161.7-900110.3
377S36.5Very low40.3Very low113 Ų113137 Ų13779%0.7981%0.806SS**  trans-114.2137.6-168.5-1790000111.9
378L41.2Very low41.1Very low170 Ų170139.2 Ų139.289%0.8981%0.809SS**  trans-111113.9169.9-73.8174.2000109.7
379H39.9Very low41.3Very low160 Ų160145.4 Ų145.474%0.74182%0.815SS**  trans-9795.6-175.3178.9-67.9000111.3
380I40.2Very low41.6Very low164 Ų164145 Ų14584%0.84181%0.813SS**  trans-79.2122.4171-61.8173000108.9
381K38.4Very low41.6Very low182 Ų182148.5 Ų148.579%0.79181%0.814SS**  trans-106.5119.8178.7-171.1175.3179.6177.80110.1
382S46.7Very low41.7Very low110 Ų110149.7 Ų149.777%0.76982%0.817SS**PPolyproline II helixtrans-81.3163.9178.543.90000113.5
383E53.9Low41.5Very low181 Ų181147.8 Ų147.885%0.84682%0.817SS**PPolyproline II helixtrans-72.7157.7176.8-80.8-172.5103.900113.9
384P46Very low41.3Very low121 Ų121147.3 Ų147.379%0.78682%0.817SS**PPolyproline II helixtrans-79.5143174.933.2-34.9000113.2
385V46.7Very low41.2Very low144 Ų144148.3 Ų148.387%0.87382%0.818SS**PPolyproline II helixtrans-79.4146.6173.8162.40000111.6
386S45.8Very low41.5Very low106 Ų106150.4 Ų150.474%0.74182%0.824SS**PPolyproline II helixtrans-75.6151176.8-65.90000113.1
387P54.4Low41.1Very low119 Ų119144.6 Ų144.677%0.77382%0.819SS**PPolyproline II helixtrans-72153-179.230.2-35.9000113.2
388P47.9Very low40.8Very low115 Ų115142.1 Ų142.175%0.74781%0.812SS**PPolyproline II helixtrans-73.2166.1-179.631.9-36.4000112.9
389R41.7Very low40.3Very low244 Ų244145.8 Ų145.892%0.92182%0.815SS**  trans-13692.7-180-156.7-177.5-167.6-176.84.1109.7
390D40.2Very low39.9Very low147 Ų147141.7 Ų141.779%0.78682%0.816SS**  trans-71.2134.5-176.9-68.5-64.7000112.9
391R33.7Very low39.4Very low242 Ų242138.2 Ų138.291%0.91382%0.821SS**  trans-125.1108.9163.1-92.7-173.1164.7-160.6-3.2107.2
392T35.7Very low39Very low139 Ų139133.3 Ų133.385%0.85382%0.822SS**  trans-91.1139.9168.546.20000110.1
393S32.9Very low38.4Very low121 Ų121134.8 Ų134.885%0.84683%0.826SS**  trans-144.2105.7177.857.70000110.2
394S34.1Very low38.5Very low116 Ų116131.5 Ų131.581%0.81182%0.821SS**  trans-154.6101178.155.40000111.7
395T35.2Very low39.1Very low137 Ų137130.9 Ų130.984%0.8482%0.816SS**  trans-66.8175.7155.112.50000110.3
396P43.5Very low38.4Very low125 Ų125129.2 Ų129.281%0.81281%0.811SS**  cis-139.6174.217.742.1-23.7000118.2
397G29.5Very low37.8Very low81 Ų81132.9 Ų132.984%0.83582%0.817SS**  trans83.3155.8160.800000116.4
398G29.5Very low36.7Very low61 Ų61134.4 Ų134.463%0.62982%0.818SS**  cis163.5132.3-8.700000112
399Y31.6Very low36.8Very low247 Ų247133.6 Ų133.697%0.96981%0.813SS**  trans63.6153.9-172.5-50.7-89.5000114.7
400G30.6Very low36.4Very low74 Ų74130.5 Ų130.576%0.76381%0.809SS**  cis167.5135-13.200000113.7
401G30.1Very low36Very low90 Ų90128.1 Ų128.193%0.92880%0.804SS**  trans82.3156.9166.800000117.8
402G30.4Very low35.9Very low80 Ų80128.5 Ų128.583%0.82581%0.805SS**  trans130.192.5166.400000117.5
403V32.5Very low35.8Very low140 Ų140130.1 Ų130.185%0.84880%0.803SS**  trans-131.9169.4161.8-1200000106.5
404P56.6Low35.8Very low113 Ų113130.2 Ų130.273%0.73479%0.794SS**  cis-130.4-133.2-6.138.7-15.5000109.3
405P58.8Low35.8Very low107 Ų107130.1 Ų130.170%0.69579%0.794SS**  cis-134.9-178.9-26.536.3-17.6000116.3
406S31.7Very low35.7Very low110 Ų110127 Ų12777%0.76979%0.789SS**  trans79.6148.5152-115.60000118
407Q34.2Very low35.3Very low183 Ų183133.2 Ų133.286%0.85580%0.796SS**  cis-131.5166.311.9-64.4178.8-4.400113.8
408N31Very low35.7Very low151 Ų151134.1 Ų134.181%0.80779%0.79SS**  trans-132.2-178.2164.8-142.612.9000105.6
409P50.4Low36.7Very low97 Ų97137.2 Ų137.263%0.6380%0.798SS**  cis-138.9-179.57.943.3-24.5000116.1
410Q31.9Very low36.9Very low179 Ų179131 Ų13184%0.83679%0.786SS**  trans157139.5134.1-87.7173.5-27.500110.2
411S33Very low36.9Very low97 Ų97134.8 Ų134.868%0.67879%0.789SS**  cis160.2111.8-30.348.80000107.4
412R31.3Very low37.1Very low251 Ų251135.2 Ų135.295%0.94778%0.778SS**  trans-164.9155.3148.3-116172.3-179-178.8-0.6112.1
413Q33.8Very low37.2Very low173 Ų173139 Ų13981%0.80878%0.778SS**  trans-97.2179.5-175.4-57.5156.9-86.900109.4
414D31.3Very low37.2Very low123 Ų123137.3 Ų137.366%0.65877%0.773SS**  cis-158.6175.817.4-155.1-79.6000112.1
415S34.7Very low36Very low114 Ų114137.8 Ų137.880%0.79778%0.778SS**  trans72.9128.9154.3-70.20000120.1
416G32.9Very low34.9Very low72 Ų72138.6 Ų138.674%0.74279%0.786SS**  trans-178.5-36.9172.300000119.2
417R36.2Very low34.7Very low254 Ų254139 Ų13996%0.95879%0.788SS**  trans66.5147.5-175.3-59-177.3174.7-130.7-2.1117
418S37.7Very low34.7Very low101 Ų101135.2 Ų135.271%0.70678%0.782SS**  trans-126.7168.3169.1176.10000107.9
419P49.1Very low35Very low125 Ų125133.5 Ų133.581%0.81278%0.782SS**  -138.7180103.238.7-26.2000114.5
420V36.1Very low34.3Very low117 Ų117136.7 Ų136.771%0.70979%0.788SS**  trans-82.5162.7-178.9-63.10000112.6
421D31Very low34.5Very low153 Ų153136 Ų13682%0.81879%0.785SS**  -171.6-178.8102.1-118.1-46000113.8
422S35.1Very low34.5Very low100 Ų100134.2 Ų134.270%0.69978%0.782SS**  trans-126.9164.1-163.5-50.60000116
423L32.2Very low34.7Very low159 Ų159127.7 Ų127.783%0.83278%0.775SS**  trans77.8123.1157.3-61.4177.3000121.5
424S32.5Very low34.9Very low105 Ų105126.1 Ų126.173%0.73477%0.772SS**  trans82.1153.5133.1-63.70000123.1
425S31.8Very low35.4Very low122 Ų122130 Ų13085%0.85378%0.777SS**  trans101141.9153.7-52.90000118.7
426C34.7Very low35.3Very low125 Ų125132.7 Ų132.785%0.84578%0.783SS**  trans-118.6138.2-176.1-49.30000110.9
427S28.7Very low35.4Very low118 Ų118137 Ų13783%0.82578%0.784SS**  trans179.4161.1160.7-84.50000110.1
428S33.8Very low35.4Very low104 Ų104134.2 Ų134.273%0.72778%0.781SS**  cis169.6116-42.7500000109.2
429S36.2Very low35.2Very low115 Ų115141 Ų14180%0.80479%0.791SS**  trans-172.4125.9161.442.40000109.9
430H37.3Very low34.5Very low163 Ų163142.5 Ų142.576%0.75579%0.792SS**  85.4129.355.5-165.974.6000109.6
431E34.9Very low34.1Very low164 Ų164145.6 Ų145.677%0.76680%0.799SS**  cis-162.9168.1-2.3-165138.489.400108
432G34Very low34.1Very low61 Ų61146.7 Ų146.763%0.62980%0.797SS**  cis-151.3162-2.500000110.7
433S35Very low33.9Very low114 Ų114149.8 Ų149.880%0.79780%0.8SS**  66.710084.8-166.10000112.3
434D37.1Very low34.1Very low139 Ų139147.4 Ų147.474%0.74380%0.797SS**  96.2160.860.5-109.9-62.6000114.5
435R42.9Very low34.7Very low204 Ų204147.8 Ų147.877%0.7780%0.797SS**  trans-36.9160.4-178.7-59.1152174.6-141.7-5116.8
436D32.4Very low34.7Very low171 Ų171150.3 Ų150.391%0.91480%0.8SS**  trans-133.4145.9137.2-127.4-40.4000111.7
437E35.8Very low34.5Very low164 Ų164147.9 Ų147.977%0.76680%0.796SS**  trans-136.9120.2-175.3-174.9173.8114.900109.6R439E437-R439 PolarHBondContact O-N 2.99Å
438H36.3Very low34.8Very low194 Ų194151 Ų15190%0.89880%0.802SS**  trans-71.2102.2-172.7-87.1-60.9000113.4
439R32Very low34.7Very low244 Ų244151 Ų15192%0.92181%0.809SS**  trans-153.2127.7142.8-122.8173.1179.3-157.6-5.3114.2E437E437-R439 PolarHBondContact O-N 2.99Å
440N35Very low34.5Very low156 Ų156157 Ų15783%0.83481%0.814SS**  trans-76.2136.1174.2-64.1-38.9000111
441E28.1Very low34.7Very low182 Ų182154.7 Ų154.785%0.8581%0.814SS**  trans-156.1116.2139.5-126.1159.8-166.600114.3
442F29.5Very low34.5Very low176 Ų176150.9 Ų150.977%0.77281%0.81SS**  trans56.6103.6148.3-84.3-108.3000123.5
443H31.2Very low34.4Very low165 Ų165155.3 Ų155.376%0.76482%0.819SS**  69.1115.5127-81.8-98.1000122.4
444S36.6Very low34.3Very low110 Ų110156.7 Ų156.777%0.76982%0.817SS**  trans-85.8159.5153.3-40.70000112.3
445P46.2Very low34.2Very low113 Ų113156.7 Ų156.773%0.73481%0.813SS**  -134.5169.1120.337-24.4000111
446L31.1Very low33.9Very low174 Ų174155.8 Ų155.891%0.91181%0.81SS**  cis-152.3158.541.8-75.2158.3000111.7
447G29.5Very low33.8Very low75 Ų75154.8 Ų154.877%0.77380%0.799SS**  trans-166.450.9-177.700000117.7
448L35.4Very low33.7Very low182 Ų182152 Ų15295%0.95380%0.798SS**  trans38.2101.7159-81.9162.6000120.4
449A31.7Very low34.4Very low105 Ų105148.8 Ų148.887%0.86879%0.794SS**  trans-150.5148.8143.600000111.6
450R33.4Very low34.5Very low240 Ų240142.1 Ų142.191%0.90679%0.785SS**  trans-121.9160.4166.1-110.8-171.5170.5-169.4-2.7106.6
451P40.6Very low34.6Very low116 Ų116143.1 Ų143.175%0.75379%0.789SS**  cis-146.1178.535.643.4-24.6000118.2
452A29.8Very low35.1Very low84 Ų84143.2 Ų143.269%0.69479%0.786SS**  trans80.1146.7142.800000123
453L32.5Very low35.6Very low154 Ų154146.2 Ų146.281%0.80679%0.792SS**  trans64.1109.7161.2-91.379.9000122.7
454D33.7Very low35.8Very low143 Ų143144.4 Ų144.477%0.76579%0.793SS**  80.9160.6118.1-88.9-64.7000126.7
455E34.1Very low35.9Very low139 Ų139150.3 Ų150.365%0.6580%0.798SS**  trans-24.5143.3-169.4-78.7-159.1110.200124.8
456R36.2Very low35.9Very low185 Ų185153 Ų15370%0.69881%0.805SS**  95.1144.2126.3-87.5174.2-176.3-90.5-6125
457E31.4Very low36.4Very low149 Ų149149.4 Ų149.470%0.69680%0.795SS**  trans62.1115.1147-84.8164.785.700123.8
458S33.4Very low36.9Very low107 Ų107155.3 Ų155.375%0.74880%0.802SS**  trans-62.9159.3146.2-40.10000111.1
459P50Low36.9Very low125 Ų125150 Ų15081%0.81279%0.792SS**  -149.8146.19336.6-19.1000118.5
460S35.3Very low37.3Very low105 Ų105157.3 Ų157.373%0.73480%0.797SS**  trans-7.9139.9145.8-171.60000120.5
461I37.8Very low37.7Very low176 Ų176150.6 Ų150.690%0.90379%0.793SS**  trans-152.6167.1145-112158.6000112
462K36.9Very low38.2Very low185 Ų185155 Ų15580%0.80482%0.819SS**  trans-103.6132-150.9-62169.7-177.1168.50116.7
463R39.9Very low38.6Very low238 Ų238158.6 Ų158.690%0.89883%0.825SS**  trans3124.8133.3-178.3-147.6-58.4160.90.2117.8
464V36.2Very low38.9Very low128 Ų128158.8 Ų158.878%0.77683%0.826SS**  trans-133.3140.6139.8177.50000109.3L466V464-L466 HydrophobicContact CG1-CG 4.45Å
465R38.6Very low39.2Very low234 Ų234159.7 Ų159.788%0.88383%0.829SS**  trans-128.7145162.3-107.1-175.5168.996-5.9106.3
466L46.9Very low39.5Very low168 Ų168160.9 Ų160.988%0.8884%0.84SS**  trans-129.5148.5168.6-80.7170.4000109V464V464-L466 HydrophobicContact CG1-CG 4.45Å
467S41.2Very low39.7Very low99 Ų99159.4 Ų159.469%0.69285%0.849SS**  trans-157.8142.1-169.552.10000111.5
468E39.7Very low40.3Very low199 Ų199160.1 Ų160.193%0.9386%0.859SS**  trans66.3160.5165.4-58.5-174.6122.100118.6
469G36Very low40.8Very low72 Ų72163.9 Ų163.974%0.74287%0.867SS**  trans113.481.4166.400000116.2
470W40.3Very low40.1Very low257 Ų257166.9 Ų166.997%0.97387%0.871SS**  trans-128.3123.7157.7-89.868.7000109.2
471A41Very low40.5Very low99 Ų99172.1 Ų172.182%0.81888%0.882SS**  trans-159.5109.8174.100000110.8
472T51.5Low40.7Very low210 Ų210171.7 Ų171.7100%1.28888%0.88SS**  trans-1540161.750.80000107.8

Retrieved 472 of 472 residues in 566 ms (Link to these results)