A0A060D156_MAIZE Loading...

MYB transcription factor

AlphaFold DB , UniProt , Accession A0A060D156, Species MAIZE (Zea mays, Maize), Gene MYB127, Length 264 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
1M67.4Low58.6Low231 Ų231146 Ų146100%1.13884%0.839SS**  0100.50-8385.317100110.1
2M59.8Low58.1Low191 Ų191142.3 Ų142.394%0.94183%0.829SS**  trans-75.3123.6167.5-76.196.616600109.1N4M2-N4 PolarHBondContact O-N 2.99Å
3K63.8Low57.8Low170 Ų170139.9 Ų139.974%0.73983%0.825SS**  trans-86.6104.1177.7-65.2170.4-179.2176.80108.5Y5K3-Y5 HydrophobicContact CB-CD2 4.28Å; K3-Y5 HydrophobicContact CB-CE2 4.03Å; K3-Y5 HydrophobicContact CD-CE2 4.48Å; K3-Y5 PolarHBondContact O-N 3.45Å
4N55.3Low58Low166 Ų166138.9 Ų138.989%0.88882%0.82SS**  trans-76.8112168-114.118.4000108.4M2M2-N4 PolarHBondContact O-N 2.99Å
5Y47.6Very low58.1Low199 Ų199135.5 Ų135.578%0.7881%0.814SS**PPolyproline II helixtrans-96.6123.4168.2-82.8-85.3000109.2K3 G7K3-Y5 HydrophobicContact CB-CD2 4.28Å; K3-Y5 HydrophobicContact CB-CE2 4.03Å; K3-Y5 HydrophobicContact CD-CE2 4.48Å; K3-Y5 PolarHBondContact O-N 3.45Å; Y5-G7 PolarHBondContact O-N 3.43Å
6P63.9Low58.3Low122 Ų122133.4 Ų133.479%0.79280%0.802SS**PPolyproline II helixtrans-70.9127.5174.929-31000109.5
7G59.7Low59Low63 Ų63135.6 Ų135.665%0.64980%0.801SS**PPolyproline II helixtrans-65.2158174.800000112.4Y5 A9Y5-G7 PolarHBondContact O-N 3.43Å; G7-A9 PolarHBondContact O-N 3.44Å
8P62Low59.7Low132 Ų132134.2 Ų134.286%0.85779%0.794SS**PPolyproline II helixtrans-66.8134.7-175.827.7-33.3000111.2S10P8-S10 PolarHBondContact O-N 3.48Å
9A55.4Low60.2Low99 Ų99133.1 Ų133.182%0.81878%0.778SS**PPolyproline II helixtrans-52.6127.2176.300000111G7 S11G7-A9 PolarHBondContact O-N 3.44Å; A9-S11 PolarHBondContact O-N 3.05Å
10S55Low60.6Low120 Ų120137.5 Ų137.584%0.83979%0.787SS**  trans-54.4109.3174.9-162.20000109.8P8 S12P8-S10 PolarHBondContact O-N 3.48Å; S10-S12 PolarHBondContact O-N 3.04Å
11S54.5Low61.4Low113 Ų113133 Ų13379%0.7977%0.772SS**  trans-64.6102.4173.1-179.20000108.4A9 S13A9-S11 PolarHBondContact O-N 3.05Å; S11-S13 PolarHBondContact O-N 3.46Å
12S52.3Low62.5Low102 Ų102127.4 Ų127.471%0.71376%0.755SS**  trans-58.1100.5173.937.20000110S10 V14S10-S12 PolarHBondContact O-N 3.04Å; S12-V14 PolarHBondContact O-N 3.49Å
13S54.8Low64.2Low111 Ų111119.9 Ų119.978%0.77672%0.716SS**  trans-66.799.5167.668.70000107.6S11 A15S11-S13 PolarHBondContact O-N 3.46Å; S13-A15 PolarHBondContact O-N 3.01Å
14V60.1Low65.6Low126 Ų126113.4 Ų113.476%0.76469%0.693SS**  trans-61.7108.1168.9-155.70000105.9S12 V16S12-V14 PolarHBondContact O-N 3.49Å; V14-V16 PolarHBondContact O-N 3.45Å
15A59.4Low67.6Low88 Ų88109.9 Ų109.973%0.72768%0.679SS**  trans-63.499.8175.600000107.5S13 E17S13-A15 PolarHBondContact O-N 3.01Å; A15-E17 PolarHBondContact O-N 3.41Å
16V62.5Low69.9Low101 Ų101106.8 Ų106.861%0.61267%0.671SS**  trans-68.199.3175.8-179.10000106.8V14 V18V14-V16 PolarHBondContact O-N 3.45Å; V16-V18 PolarHBondContact O-N 2.91Å
17E70.1Confident71.4Confident171 Ų171102 Ų10280%0.79964%0.638SS**  trans-55.3127.1174.4-73.6-168.7153.700109.9A15 K19A15-E17 PolarHBondContact O-N 3.41Å; E17-K19 PolarHBondContact O-N 3Å; E17-K19 VanDerWaalsContact O-N 3.13Å
18V70.5Confident73.2Confident111 Ų111100.1 Ų100.167%0.67361%0.613SS**  trans-68.5112.7176.1178.80000108V16 K20V16-V18 PolarHBondContact O-N 2.91Å; V18-K20 PolarHBondContact O-N 3.3Å; V18-K20 VanDerWaalsContact O-N 3.12Å
19K69.1Low74.9Confident112 Ų11296.8 Ų96.849%0.48760%0.597SS.*  trans-65.2112.8177.5-74.3179.5179.6172.90109.8E17 G21 G52E17-K19 PolarHBondContact O-N 3Å; E17-K19 VanDerWaalsContact O-N 3.13Å; K19-G21 PolarHBondContact O-N 3.14Å; K19-G52 PolarHBondContact N-O 3.45Å
20K68.4Low76.9Confident221 Ų22194.1 Ų94.196%0.96157%0.569SS**  trans-93.774.2168.8-165173.7-177.8-177.70109V18V18-K20 PolarHBondContact O-N 3.3Å; V18-K20 VanDerWaalsContact O-N 3.12Å
21G78.1Confident78.9Confident45 Ų4588.4 Ų88.446%0.46453%0.529SS..SBendtrans-149169.5-176.600000113.8K19 R53K19-G21 PolarHBondContact O-N 3.14Å; G21-R53 PolarHBondContact O-NH1 2.77Å; G21-R53 PolarHBondContact O-NH2 3.15Å
22S90.2Very high81Confident112 Ų11284.8 Ų84.878%0.78350%0.502SS*.PPolyproline II helixtrans-55.8147.4171.7-170.80000110.6R53S22-R53 PolarHBondContact O-NH2 3.37Å
23W94.6Very high83.2Confident33 Ų3387 Ų8713%0.12550%0.495CS..PPolyproline II helixtrans-71.3131.9171.9-76.477.7000109.5E27 L31 R53 S57 C58 R61W23-E27 WeakPolarHBondContact CA-OE2 3.4Å; W23-E27 HydrophobicContact CE3-CB 3.73Å; W23-E27 HydrophobicContact CZ3-CB 4.09Å; W23-L31 HydrophobicContact CH2-CD2 3.77Å; W23-L31 HydrophobicContact CZ3-CB 4.32Å; W23-L31 HydrophobicContact CZ3-CD2 3.72Å; W23-R53 HydrophobicContact CH2-CB 4.05Å; W23-R53 HydrophobicContact CH2-CG 3.78Å; W23-R53 HydrophobicContact CZ2-CB 4.4Å; W23-R53 HydrophobicContact CZ2-CG 4.11Å; W23-R53 HydrophobicContact CZ3-CG 4.17Å; W23-S57 WeakPolarHBondContact CZ2-OG 3.38Å; W23-C58 HydrophobicContact CH2-CB 4.45Å; W23-R61 HydrophobicContact CD2-CB 4.08Å; W23-R61 HydrophobicContact CD2-CG 3.57Å; W23-R61 HydrophobicContact CE3-CG 3.9Å; W23-R61 HydrophobicContact CG-CG 3.95Å; W23-R61 HydrophobicContact CH2-CB 4.15Å; W23-R61 HydrophobicContact CH2-CG 4.36Å; W23-R61 HydrophobicContact CZ2-CB 3.61Å; W23-R61 HydrophobicContact CZ2-CG 4.04Å; W23-R61 HydrophobicContact CZ3-CG 4.28Å
24S95Very high85.2Confident35 Ų3582.2 Ų82.225%0.24546%0.46CS..PPolyproline II helixtrans-83.2154.9171.594.90000110.5E26 E27 D28S24-E26 WeakPolarHBondContact CB-OE2 3.48Å; S24-E26 PolarHBondContact O-N 2.97Å; S24-E26 PolarHBondContact OG-N 3.16Å; S24-E26 PolarHBondContact OG-OE2 2.67Å; S24-E27 PolarHBondContact N-OE2 3.05Å; S24-E27 WeakPolarHBondContact O-CB 3.38Å; S24-E27 PolarHBondContact O-N 2.63Å; S24-E27 VanDerWaalsContact O-N 3.16Å; S24-E27 WeakPolarHBondContact OG-CG 3.36Å; S24-E27 PolarHBondContact OG-N 3.3Å; S24-E27 VanDerWaalsContact OG-N 3.15Å; S24-D28 PolarHBondContact O-N 3.37Å
25P95.7Very high87Confident92 Ų9276.5 Ų76.560%0.59743%0.425SS*.Hα-helixtrans-61.7-29.8176.424.6-32.4000112.4D28 A29P25-D28 PolarHBondContact O-N 3.15Å; P25-A29 WeakPolarHBondContact O-CB 3.43Å; P25-A29 PolarHBondContact O-N 3.43Å
26E96.3Very high88.8Confident133 Ų13379.3 Ų79.362%0.62142%0.424SS*.Hα-helixtrans-68.4-41.4174.4-54.574.8-161.600111.6S24 D28 A29 L30S24-E26 WeakPolarHBondContact CB-OE2 3.48Å; S24-E26 PolarHBondContact O-N 2.97Å; S24-E26 PolarHBondContact OG-N 3.16Å; S24-E26 PolarHBondContact OG-OE2 2.67Å; E26-D28 VanDerWaalsContact C-N 3.34Å; E26-A29 PolarHBondContact O-N 2.91Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 3.07Å
27E96.2Very high90.4Very high22 Ų2280.8 Ų80.810%0.10342%0.424CS..Hα-helixtrans-63.6-41.6173.9-69.1177.512000111.3W23 S24 L30 L31 R53W23-E27 WeakPolarHBondContact CA-OE2 3.4Å; W23-E27 HydrophobicContact CE3-CB 3.73Å; W23-E27 HydrophobicContact CZ3-CB 4.09Å; S24-E27 PolarHBondContact N-OE2 3.05Å; S24-E27 WeakPolarHBondContact O-CB 3.38Å; S24-E27 PolarHBondContact O-N 2.63Å; S24-E27 VanDerWaalsContact O-N 3.16Å; S24-E27 WeakPolarHBondContact OG-CG 3.36Å; S24-E27 PolarHBondContact OG-N 3.3Å; S24-E27 VanDerWaalsContact OG-N 3.15Å; E27-L30 PolarHBondContact O-N 2.87Å; E27-L31 WeakPolarHBondContact O-CB 3.22Å; E27-L31 PolarHBondContact O-N 3.45Å; E27-R53 IonicContact OE1-CZ 3.63Å; E27-R53 IonicContact OE1-NE 2.65Å; E27-R53 PolarHBondContact OE1-NE 2.9Å; E27-R53 IonicContact OE1-NH2 2.67Å; E27-R53 PolarHBondContact OE1-NH2 3.44Å; E27-R53 IonicContact OE2-CZ 2.94Å; E27-R53 IonicContact OE2-NE 3.76Å; E27-R53 IonicContact OE2-NH2 3.53Å; E27-R53 PolarHBondContact OE2-NH2 2.97Å
28D97.3Very high91.7Very high23 Ų2375 Ų7512%0.12340%0.397CS..Hα-helixtrans-64-46176.8-74.1-25.7000111.5S24 P25 E26 L30 L31 T32 R61 L66S24-D28 PolarHBondContact O-N 3.37Å; P25-D28 PolarHBondContact O-N 3.15Å; E26-D28 VanDerWaalsContact C-N 3.34Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.25Å; D28-L31 PolarHBondContact O-N 3.49Å; D28-T32 PolarHBondContact O-N 3.33Å; D28-T32 PolarHBondContact O-OG1 3.32Å; D28-T32 VanDerWaalsContact O-OG1 3.07Å; D28-R61 IonicContact OD1-CZ 3.59Å; D28-R61 IonicContact OD1-NE 3.2Å; D28-R61 PolarHBondContact OD1-NE 2.98Å; D28-R61 IonicContact OD1-NH2 2.73Å; D28-R61 PolarHBondContact OD1-NH2 3.15Å; D28-R61 IonicContact OD2-CZ 3.65Å; D28-R61 IonicContact OD2-NE 3.64Å; D28-R61 IonicContact OD2-NH2 3.57Å; D28-R61 PolarHBondContact OD2-NH2 3.46Å; D28-L66 HydrophobicContact CB-CD1 3.98Å; D28-L66 HydrophobicContact CB-CD2 3.84Å
29A97.4Very high92.9Very high62 Ų6270.5 Ų70.551%0.51237%0.373SS..Hα-helixtrans-61.1-41.8176.900000111.9P25 E26 T32 R33P25-A29 WeakPolarHBondContact O-CB 3.43Å; P25-A29 PolarHBondContact O-N 3.43Å; E26-A29 PolarHBondContact O-N 2.91Å; A29-T32 PolarHBondContact O-N 3.45Å; A29-R33 PolarHBondContact O-N 3.28Å
30L97.1Very high94.2Very high43 Ų4368.7 Ų68.723%0.22537%0.372CS..Hα-helixtrans-63.4-45.8175.4179.959.8000111.4E26 E27 D28 R33 L34 I50E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 3.07Å; E27-L30 PolarHBondContact O-N 2.87Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.25Å; L30-R33 VanDerWaalsContact CD1-NH2 3.27Å; L30-R33 PolarHBondContact O-N 3.27Å; L30-L34 HydrophobicContact CD1-CD1 3.88Å; L30-L34 HydrophobicContact CD1-CG 4.23Å; L30-L34 HydrophobicContact CG-CD1 3.81Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 WeakPolarHBondContact O-CG 3.37Å; L30-L34 PolarHBondContact O-N 2.95Å; L30-I50 HydrophobicContact CD2-CG1 3.93Å; L30-I50 HydrophobicContact CG-CG1 4.16Å
31L97.9Very high95.5Very high0 Ų063.7 Ų63.70%035%0.352CS..Hα-helixtrans-59.8-46.4177.1176.855.2000111.2W23 E27 D28 L34 V35 I46 I50 C58 R61 L66W23-L31 HydrophobicContact CH2-CD2 3.77Å; W23-L31 HydrophobicContact CZ3-CB 4.32Å; W23-L31 HydrophobicContact CZ3-CD2 3.72Å; E27-L31 WeakPolarHBondContact O-CB 3.22Å; E27-L31 PolarHBondContact O-N 3.45Å; D28-L31 PolarHBondContact O-N 3.49Å; L31-L34 PolarHBondContact O-N 3.3Å; L31-V35 HydrophobicContact CD1-CG2 3.96Å; L31-V35 HydrophobicContact CG-CG2 4.5Å; L31-V35 VanDerWaalsContact O-CG2 3.28Å; L31-V35 WeakPolarHBondContact O-CG2 3.19Å; L31-V35 PolarHBondContact O-N 3.5Å; L31-I46 HydrophobicContact CD1-CG2 3.49Å; L31-I46 VanDerWaalsContact CD1-CG2 3.49Å; L31-I50 HydrophobicContact CB-CD1 3.9Å; L31-I50 HydrophobicContact CD1-CD1 3.96Å; L31-I50 HydrophobicContact CG-CD1 4.48Å; L31-C58 HydrophobicContact CD1-CB 3.8Å; L31-C58 HydrophobicContact CD2-CB 4.34Å; L31-R61 HydrophobicContact CD2-CB 3.92Å; L31-R61 HydrophobicContact CD2-CG 3.92Å; L31-L66 HydrophobicContact CB-CD1 4.2Å; L31-L66 HydrophobicContact CD2-CD1 3.66Å; L31-L66 HydrophobicContact CG-CD1 4.01Å
32T97.9Very high96.3Very high37 Ų3768.6 Ų68.623%0.22736%0.357CS..Hα-helixtrans-58.8-50.5178.1-61.70000111.6D28 A29 L34 V35 E36 W62D28-T32 PolarHBondContact O-N 3.33Å; D28-T32 PolarHBondContact O-OG1 3.32Å; D28-T32 VanDerWaalsContact O-OG1 3.07Å; A29-T32 PolarHBondContact O-N 3.45Å; T32-L34 VanDerWaalsContact C-N 3.3Å; T32-L34 PolarHBondContact O-N 3.09Å; T32-V35 PolarHBondContact O-N 2.97Å; T32-V35 VanDerWaalsContact O-N 3.14Å; T32-E36 WeakPolarHBondContact O-CG 3.33Å; T32-E36 PolarHBondContact O-N 3.36Å; T32-W62 HydrophobicContact CG2-CH2 4.48Å; T32-W62 HydrophobicContact CG2-CZ3 4.11Å
33R97.7Very high96.6Very high149 Ų14964.7 Ų64.756%0.56233%0.325SS*.Hα-helixtrans-57.7-42.3177.8-172.9-17571.2-179.41.9112.6A29 L30 E36 Q37A29-R33 PolarHBondContact O-N 3.28Å; L30-R33 VanDerWaalsContact CD1-NH2 3.27Å; L30-R33 PolarHBondContact O-N 3.27Å; R33-E36 PolarHBondContact O-N 2.82Å; R33-Q37 WeakPolarHBondContact O-CB 3.5Å; R33-Q37 PolarHBondContact O-N 2.92Å
34L97.7Very high96.7Very high11 Ų1168 Ų686%0.05835%0.353CS..Hα-helixtrans-69.4-34.8179.9-70.3164.1000112.3L30 L31 T32 Q37 H38 I46 P49 I50L30-L34 HydrophobicContact CD1-CD1 3.88Å; L30-L34 HydrophobicContact CD1-CG 4.23Å; L30-L34 HydrophobicContact CG-CD1 3.81Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 WeakPolarHBondContact O-CG 3.37Å; L30-L34 PolarHBondContact O-N 2.95Å; L31-L34 PolarHBondContact O-N 3.3Å; T32-L34 VanDerWaalsContact C-N 3.3Å; T32-L34 PolarHBondContact O-N 3.09Å; L34-Q37 PolarHBondContact O-N 3.44Å; L34-H38 WeakPolarHBondContact O-CB 3.49Å; L34-H38 PolarHBondContact O-CD2 3.42Å; L34-H38 PolarHBondContact O-N 2.91Å; L34-I46 HydrophobicContact CB-CG2 3.98Å; L34-I46 WeakPolarHBondContact CD1-O 3.4Å; L34-P49 HydrophobicContact CD1-CB 4.42Å; L34-P49 HydrophobicContact CD1-CG 3.39Å; L34-P49 HydrophobicContact CD2-CG 3.83Å; L34-P49 HydrophobicContact CG-CG 4.27Å; L34-I50 HydrophobicContact CD1-CD1 3.99Å; L34-I50 HydrophobicContact CD1-CG1 3.85Å
35V97.9Very high96.7Very high5 Ų570 Ų703%0.0336%0.361CS..Hα-helixtrans-69.3-40.3173.8174.10000110.9L31 T32 Q37 G39 P40 W43 I46 W62L31-V35 HydrophobicContact CD1-CG2 3.96Å; L31-V35 HydrophobicContact CG-CG2 4.5Å; L31-V35 VanDerWaalsContact O-CG2 3.28Å; L31-V35 WeakPolarHBondContact O-CG2 3.19Å; L31-V35 PolarHBondContact O-N 3.5Å; T32-V35 PolarHBondContact O-N 2.97Å; T32-V35 VanDerWaalsContact O-N 3.14Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 2.73Å; V35-G39 WeakPolarHBondContact O-CA 3.34Å; V35-G39 PolarHBondContact O-N 2.97Å; V35-P40 HydrophobicContact CG1-CB 3.86Å; V35-P40 HydrophobicContact CG1-CG 4.49Å; V35-W43 HydrophobicContact CG2-CH2 4.18Å; V35-W43 HydrophobicContact CG2-CZ3 3.85Å; V35-I46 HydrophobicContact CG2-CD1 4.09Å; V35-I46 HydrophobicContact CG2-CG2 4.22Å; V35-W62 HydrophobicContact CB-CD2 4.31Å; V35-W62 HydrophobicContact CB-CE3 4.05Å; V35-W62 HydrophobicContact CB-CH2 4.05Å; V35-W62 HydrophobicContact CB-CZ2 4.3Å; V35-W62 HydrophobicContact CB-CZ3 3.95Å; V35-W62 HydrophobicContact CG1-CD2 3.94Å; V35-W62 HydrophobicContact CG1-CE3 4.12Å; V35-W62 HydrophobicContact CG1-CH2 3.69Å; V35-W62 HydrophobicContact CG1-CZ2 3.46Å; V35-W62 VanDerWaalsContact CG1-CZ2 3.46Å; V35-W62 HydrophobicContact CG1-CZ3 4.03Å; V35-W62 HydrophobicContact CG2-CD2 3.99Å; V35-W62 HydrophobicContact CG2-CE3 3.82Å; V35-W62 HydrophobicContact CG2-CG 4.48Å; V35-W62 HydrophobicContact CG2-CZ3 4.22Å
36E97Very high96.8Very high148 Ų14865.7 Ų65.769%0.69233%0.333SS*.Hα-helixtrans-60.9-40.5173.6-71.8170.4173.900111.7T32 R33T32-E36 WeakPolarHBondContact O-CG 3.33Å; T32-E36 PolarHBondContact O-N 3.36Å; R33-E36 PolarHBondContact O-N 2.82Å
37Q97Very high96.8Very high131 Ų13160.1 Ų60.161%0.61231%0.309SS*.Hα-helixtrans-72.8-39.2-179.8-175.1179-5.800113.6R33 L34 V35R33-Q37 WeakPolarHBondContact O-CB 3.5Å; R33-Q37 PolarHBondContact O-N 2.92Å; L34-Q37 PolarHBondContact O-N 3.44Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 2.73Å
38H96.6Very high96.7Very high50 Ų5063.1 Ų63.123%0.23134%0.337CS..Hα-helixtrans-113.8-8.4-169.8-65.5-63.3000115.2L34 H41 L45 I46L34-H38 WeakPolarHBondContact O-CB 3.49Å; L34-H38 PolarHBondContact O-CD2 3.42Å; L34-H38 PolarHBondContact O-N 2.91Å; H38-H41 PolarHBondContact O-CE1 2.77Å; H38-H41 PolarHBondContact O-NE2 3.38Å; H38-L45 HydrophobicContact CB-CD2 4.44Å; H38-L45 WeakPolarHBondContact CD2-CD2 3.28Å; H38-L45 WeakPolarHBondContact NE2-CD2 3.45Å; H38-I46 HydrophobicContact CB-CG1 4.25Å
39G96.5Very high96.6Very high17 Ų1765.1 Ų65.118%0.17535%0.351CS..  trans76.8153.9-17300000113.9V35 H41 I46V35-G39 WeakPolarHBondContact O-CA 3.34Å; V35-G39 PolarHBondContact O-N 2.97Å; G39-H41 PolarHBondContact O-N 3.2Å; G39-I46 WeakPolarHBondContact O-CD1 3.47Å
40P95.4Very high96.4Very high73 Ų7362.3 Ų62.347%0.47433%0.327SS..THydrogen-bonded Turntrans-77.442.1-174.733.3-37.8000114.2V35 W43V35-P40 HydrophobicContact CG1-CB 3.86Å; V35-P40 HydrophobicContact CG1-CG 4.49Å; P40-W43 VanDerWaalsContact C-CZ2 3.49Å; P40-W43 HydrophobicContact CB-CH2 3.91Å; P40-W43 HydrophobicContact CB-CZ2 3.81Å; P40-W43 WeakPolarHBondContact O-CZ2 3.38Å; P40-W43 PolarHBondContact O-NE1 2.99Å
41H96Very high96.1Very high117 Ų11764 Ų6454%0.54234%0.341SS..THydrogen-bonded Turntrans-128.8-27.8-178.153.452.5000113.8H38 G39 W43H38-H41 PolarHBondContact O-CE1 2.77Å; H38-H41 PolarHBondContact O-NE2 3.38Å; G39-H41 PolarHBondContact O-N 3.2Å; H41-W43 PolarHBondContact O-N 2.86Å
42R95.5Very high95.7Very high147 Ų14764.4 Ų64.456%0.55535%0.345SS*.  trans-97.757.8-174.8-81.4164.7-158.4-170.29.8111.5S44 L45 I46R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 2.95Å; R42-L45 HydrophobicContact CB-CB 4.19Å; R42-L45 WeakPolarHBondContact O-CB 3.26Å; R42-L45 PolarHBondContact O-N 3.03Å; R42-I46 WeakPolarHBondContact O-CG1 3.38Å; R42-I46 PolarHBondContact O-N 2.77Å
43W97Very high95.6Very high31 Ų3163.6 Ų63.612%0.11734%0.338CS..Hα-helixtrans-59.5-33.9-171.4-60.4107000114.8V35 P40 H41 L45 I46 S47 C58 R59 W62V35-W43 HydrophobicContact CG2-CH2 4.18Å; V35-W43 HydrophobicContact CG2-CZ3 3.85Å; P40-W43 VanDerWaalsContact C-CZ2 3.49Å; P40-W43 HydrophobicContact CB-CH2 3.91Å; P40-W43 HydrophobicContact CB-CZ2 3.81Å; P40-W43 WeakPolarHBondContact O-CZ2 3.38Å; P40-W43 PolarHBondContact O-NE1 2.99Å; H41-W43 PolarHBondContact O-N 2.86Å; W43-L45 VanDerWaalsContact C-N 3.34Å; W43-I46 HydrophobicContact CE3-CD1 3.97Å; W43-I46 HydrophobicContact CE3-CG2 4.4Å; W43-I46 HydrophobicContact CZ3-CD1 4.15Å; W43-I46 PolarHBondContact O-N 3.48Å; W43-S47 WeakPolarHBondContact O-CB 3.47Å; W43-S47 PolarHBondContact O-N 3.24Å; W43-S47 PolarHBondContact O-OG 2.81Å; W43-C58 HydrophobicContact CE3-CB 4.23Å; W43-R59 HydrophobicContact CD2-CB 3.58Å; W43-R59 HydrophobicContact CD2-CG 4.04Å; W43-R59 HydrophobicContact CE3-CB 4Å; W43-R59 HydrophobicContact CG-CB 3.88Å; W43-R59 HydrophobicContact CG-CG 4.36Å; W43-R59 HydrophobicContact CZ2-CB 4.17Å; W43-R59 HydrophobicContact CZ2-CG 3.89Å; W43-R59 HydrophobicContact CZ3-CB 4.47Å; W43-W62 HydrophobicContact CH2-CB 3.62Å; W43-W62 AromaticContact CH2-CD1 3.65Å; W43-W62 AromaticContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CZ3-CB 3.96Å; W43-W62 HydrophobicContact CZ3-CG 4.29Å
44S95.4Very high95.4Very high103 Ų10359.2 Ų59.272%0.7233%0.33SS*.Hα-helixtrans-63.3-41.3175.9-52.70000112R42 S47 A48R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 2.95Å; S44-S47 PolarHBondContact O-OG 3.29Å; S44-S47 VanDerWaalsContact O-OG 3.11Å; S44-A48 PolarHBondContact O-N 2.88Å
45L95.8Very high95.3Very high77 Ų7759.4 Ų59.440%0.40334%0.335SS..Hα-helixtrans-69.4-45.3176.6-171.5162.6000110.3H38 R42 W43 S47 A48 P49H38-L45 HydrophobicContact CB-CD2 4.44Å; H38-L45 WeakPolarHBondContact CD2-CD2 3.28Å; H38-L45 WeakPolarHBondContact NE2-CD2 3.45Å; R42-L45 HydrophobicContact CB-CB 4.19Å; R42-L45 WeakPolarHBondContact O-CB 3.26Å; R42-L45 PolarHBondContact O-N 3.03Å; W43-L45 VanDerWaalsContact C-N 3.34Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 2.95Å; L45-P49 VanDerWaalsContact O-CD 3.26Å; L45-P49 WeakPolarHBondContact O-CD 3.46Å
46I96.9Very high95.2Very high0 Ų067.7 Ų67.70%037%0.37CS..Hα-helixtrans-61.8-36.5179.3-67.3163.9000111.7L31 L34 V35 H38 G39 R42 W43 P49L31-I46 HydrophobicContact CD1-CG2 3.49Å; L31-I46 VanDerWaalsContact CD1-CG2 3.49Å; L34-I46 HydrophobicContact CB-CG2 3.98Å; L34-I46 WeakPolarHBondContact CD1-O 3.4Å; V35-I46 HydrophobicContact CG2-CD1 4.09Å; V35-I46 HydrophobicContact CG2-CG2 4.22Å; H38-I46 HydrophobicContact CB-CG1 4.25Å; G39-I46 WeakPolarHBondContact O-CD1 3.47Å; R42-I46 WeakPolarHBondContact O-CG1 3.38Å; R42-I46 PolarHBondContact O-N 2.77Å; W43-I46 HydrophobicContact CE3-CD1 3.97Å; W43-I46 HydrophobicContact CE3-CG2 4.4Å; W43-I46 HydrophobicContact CZ3-CD1 4.15Å; W43-I46 PolarHBondContact O-N 3.48Å; I46-P49 WeakPolarHBondContact O-CD 3.33Å
47S95.9Very high95.1Very high17 Ų1762.1 Ų62.112%0.11935%0.348CS..Hα-helixtrans-79-23.4179.957.70000114.7W43 S44 L45 I50 G55W43-S47 WeakPolarHBondContact O-CB 3.47Å; W43-S47 PolarHBondContact O-N 3.24Å; W43-S47 PolarHBondContact O-OG 2.81Å; S44-S47 PolarHBondContact O-OG 3.29Å; S44-S47 VanDerWaalsContact O-OG 3.11Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.41Å; S47-I50 PolarHBondContact O-N 3.1Å; S47-G55 VanDerWaalsContact CB-N 3.32Å; S47-G55 WeakPolarHBondContact OG-CA 3.46Å; S47-G55 PolarHBondContact OG-N 2.91Å
48A95.2Very high95.1Very high84 Ų8455.9 Ų55.969%0.69432%0.319SS*.THydrogen-bonded Turntrans-53.9-42.9-176.400000114.2S44 L45 I50S44-A48 PolarHBondContact O-N 2.88Å; L45-A48 PolarHBondContact O-N 2.95Å; A48-I50 VanDerWaalsContact C-N 3.33Å; A48-I50 PolarHBondContact O-N 3.44Å
49P94.3Very high95.2Very high65 Ų6560.3 Ų60.342%0.42233%0.333SS..THydrogen-bonded Turntrans-81.7-2176.133.7-39.8000114.8L34 L45 I46 P51L34-P49 HydrophobicContact CD1-CB 4.42Å; L34-P49 HydrophobicContact CD1-CG 3.39Å; L34-P49 HydrophobicContact CD2-CG 3.83Å; L34-P49 HydrophobicContact CG-CG 4.27Å; L45-P49 VanDerWaalsContact O-CD 3.26Å; L45-P49 WeakPolarHBondContact O-CD 3.46Å; I46-P49 WeakPolarHBondContact O-CD 3.33Å; P49-P51 WeakPolarHBondContact O-CD 3.48Å
50I93.8Very high95.2Very high3 Ų364.8 Ų64.82%0.01535%0.353CS..SBendtrans-101.8100.3-178-50.7-178.6000109.5L30 L31 L34 S47 A48 G52 R53L30-I50 HydrophobicContact CD2-CG1 3.93Å; L30-I50 HydrophobicContact CG-CG1 4.16Å; L31-I50 HydrophobicContact CB-CD1 3.9Å; L31-I50 HydrophobicContact CD1-CD1 3.96Å; L31-I50 HydrophobicContact CG-CD1 4.48Å; L34-I50 HydrophobicContact CD1-CD1 3.99Å; L34-I50 HydrophobicContact CD1-CG1 3.85Å; S47-I50 PolarHBondContact O-N 3.1Å; A48-I50 VanDerWaalsContact C-N 3.33Å; A48-I50 PolarHBondContact O-N 3.44Å; I50-G52 PolarHBondContact O-N 2.92Å; I50-R53 HydrophobicContact CB-CB 4.25Å; I50-R53 HydrophobicContact CG2-CB 3.74Å; I50-R53 HydrophobicContact CG2-CG 3.55Å; I50-R53 PolarHBondContact O-N 3.38Å
51P90.6Very high95.3Very high80 Ų8064.1 Ų64.152%0.51934%0.341SS..THydrogen-bonded Turntrans-65.3126.3-170.626-34.6000112.1P49 R53P49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-R53 VanDerWaalsContact C-N 3.31Å; P51-R53 PolarHBondContact O-N 3.12Å
52G90.7Very high95.4Very high8 Ų859.6 Ų59.68%0.08232%0.319CS..THydrogen-bonded Turntrans80.13.5177.500000115K19 I50K19-G52 PolarHBondContact N-O 3.45Å; I50-G52 PolarHBondContact O-N 2.92Å
53R94Very high95.5Very high20 Ų2055.1 Ų55.18%0.07531%0.309CS..  trans-108.8131174.9-58.1-61.4-179.1173.23110.6G21 S22 W23 E27 I50 P51G21-R53 PolarHBondContact O-NH1 2.77Å; G21-R53 PolarHBondContact O-NH2 3.15Å; S22-R53 PolarHBondContact O-NH2 3.37Å; W23-R53 HydrophobicContact CH2-CB 4.05Å; W23-R53 HydrophobicContact CH2-CG 3.78Å; W23-R53 HydrophobicContact CZ2-CB 4.4Å; W23-R53 HydrophobicContact CZ2-CG 4.11Å; W23-R53 HydrophobicContact CZ3-CG 4.17Å; E27-R53 IonicContact OE1-CZ 3.63Å; E27-R53 IonicContact OE1-NE 2.65Å; E27-R53 PolarHBondContact OE1-NE 2.9Å; E27-R53 IonicContact OE1-NH2 2.67Å; E27-R53 PolarHBondContact OE1-NH2 3.44Å; E27-R53 IonicContact OE2-CZ 2.94Å; E27-R53 IonicContact OE2-NE 3.76Å; E27-R53 IonicContact OE2-NH2 3.53Å; E27-R53 PolarHBondContact OE2-NH2 2.97Å; I50-R53 HydrophobicContact CB-CB 4.25Å; I50-R53 HydrophobicContact CG2-CB 3.74Å; I50-R53 HydrophobicContact CG2-CG 3.55Å; I50-R53 PolarHBondContact O-N 3.38Å; P51-R53 VanDerWaalsContact C-N 3.31Å; P51-R53 PolarHBondContact O-N 3.12Å
54S94.7Very high95.5Very high56 Ų5654.6 Ų54.639%0.39231%0.309SS..  trans-83.2158.817467.20000111.7K56 S57 C58S54-K56 PolarHBondContact O-N 3.42Å; S54-S57 WeakPolarHBondContact O-CA 3.48Å; S54-S57 VanDerWaalsContact O-CB 3.26Å; S54-S57 WeakPolarHBondContact O-CB 3.41Å; S54-S57 PolarHBondContact O-N 3.23Å; S54-S57 PolarHBondContact OG-N 2.93Å; S54-C58 PolarHBondContact O-N 3.28Å; S54-C58 PolarHBondContact O-SG 3.49Å
55G96Very high95.5Very high15 Ų1553.3 Ų53.316%0.15529%0.292CS..Hα-helixtrans-54.2-36.2173.400000113.2S47 C58 R59S47-G55 VanDerWaalsContact CB-N 3.32Å; S47-G55 WeakPolarHBondContact OG-CA 3.46Å; S47-G55 PolarHBondContact OG-N 2.91Å; G55-C58 PolarHBondContact O-N 2.8Å; G55-R59 WeakPolarHBondContact O-CB 3.35Å; G55-R59 PolarHBondContact O-N 2.87Å
56K95.2Very high95.6Very high180 Ų18051.5 Ų51.578%0.78328%0.282SS*.Hα-helixtrans-63.6-42.4173-176.5176.4-178.9176.50112.1S54 L60S54-K56 PolarHBondContact O-N 3.42Å; K56-L60 WeakPolarHBondContact O-CB 3.11Å; K56-L60 PolarHBondContact O-N 3.38Å
57S95.5Very high95.6Very high31 Ų3152.2 Ų52.222%0.21729%0.287CS..Hα-helixtrans-62.7-46.5176.6-164.10000110.8W23 S54 L60 R61W23-S57 WeakPolarHBondContact CZ2-OG 3.38Å; S54-S57 WeakPolarHBondContact O-CA 3.48Å; S54-S57 VanDerWaalsContact O-CB 3.26Å; S54-S57 WeakPolarHBondContact O-CB 3.41Å; S54-S57 PolarHBondContact O-N 3.23Å; S54-S57 PolarHBondContact OG-N 2.93Å; S57-L60 PolarHBondContact O-N 3.42Å; S57-R61 WeakPolarHBondContact O-CB 3.43Å; S57-R61 PolarHBondContact O-N 3.36Å
58C97.1Very high95.6Very high0 Ų056.5 Ų56.50%032%0.315CS..Hα-helixtrans-60.1-49.5178.2-60.60000111.7W23 L31 W43 S54 G55 L60 R61 W62W23-C58 HydrophobicContact CH2-CB 4.45Å; L31-C58 HydrophobicContact CD1-CB 3.8Å; L31-C58 HydrophobicContact CD2-CB 4.34Å; W43-C58 HydrophobicContact CE3-CB 4.23Å; S54-C58 PolarHBondContact O-N 3.28Å; S54-C58 PolarHBondContact O-SG 3.49Å; G55-C58 PolarHBondContact O-N 2.8Å; C58-L60 VanDerWaalsContact C-N 3.33Å; C58-L60 PolarHBondContact O-N 2.88Å; C58-R61 PolarHBondContact O-N 3.31Å; C58-W62 WeakPolarHBondContact O-CB 2.98Å; C58-W62 PolarHBondContact O-N 2.94Å
59R97.7Very high95.6Very high143 Ų14357.9 Ų57.954%0.5431%0.31SS..Hα-helixtrans-56.9-46.7175.9-177.2175.7-176.1-96.5-0.3111.9W43 G55 R61 W62 C63W43-R59 HydrophobicContact CD2-CB 3.58Å; W43-R59 HydrophobicContact CD2-CG 4.04Å; W43-R59 HydrophobicContact CE3-CB 4Å; W43-R59 HydrophobicContact CG-CB 3.88Å; W43-R59 HydrophobicContact CG-CG 4.36Å; W43-R59 HydrophobicContact CZ2-CB 4.17Å; W43-R59 HydrophobicContact CZ2-CG 3.89Å; W43-R59 HydrophobicContact CZ3-CB 4.47Å; G55-R59 WeakPolarHBondContact O-CB 3.35Å; G55-R59 PolarHBondContact O-N 2.87Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 PolarHBondContact O-N 2.95Å; R59-W62 PolarHBondContact O-N 2.9Å; R59-C63 WeakPolarHBondContact O-CB 3.33Å; R59-C63 PolarHBondContact O-N 3.11Å; R59-C63 PolarHBondContact O-SG 3.04Å; R59-C63 VanDerWaalsContact O-SG 3.34Å
60L96.6Very high95.7Very high111 Ų11155.6 Ų55.658%0.58130%0.295SS*.Hα-helixtrans-63.7-40.5-178.9-173.472.6000111.5K56 S57 C58 N64K56-L60 WeakPolarHBondContact O-CB 3.11Å; K56-L60 PolarHBondContact O-N 3.38Å; S57-L60 PolarHBondContact O-N 3.42Å; C58-L60 VanDerWaalsContact C-N 3.33Å; C58-L60 PolarHBondContact O-N 2.88Å; L60-N64 WeakPolarHBondContact CD1-ND2 3.39Å; L60-N64 WeakPolarHBondContact O-CB 3.49Å; L60-N64 PolarHBondContact O-N 3.21Å; L60-N64 PolarHBondContact O-ND2 3.2Å
61R97.6Very high95.8Very high58 Ų5859.4 Ų59.422%0.21931%0.313CS..Hα-helixtrans-64.5-48.7176.8-176.961.8173176.53.4111W23 D28 L31 S57 C58 R59 Q65 L66W23-R61 HydrophobicContact CD2-CB 4.08Å; W23-R61 HydrophobicContact CD2-CG 3.57Å; W23-R61 HydrophobicContact CE3-CG 3.9Å; W23-R61 HydrophobicContact CG-CG 3.95Å; W23-R61 HydrophobicContact CH2-CB 4.15Å; W23-R61 HydrophobicContact CH2-CG 4.36Å; W23-R61 HydrophobicContact CZ2-CB 3.61Å; W23-R61 HydrophobicContact CZ2-CG 4.04Å; W23-R61 HydrophobicContact CZ3-CG 4.28Å; D28-R61 IonicContact OD1-CZ 3.59Å; D28-R61 IonicContact OD1-NE 3.2Å; D28-R61 PolarHBondContact OD1-NE 2.98Å; D28-R61 IonicContact OD1-NH2 2.73Å; D28-R61 PolarHBondContact OD1-NH2 3.15Å; D28-R61 IonicContact OD2-CZ 3.65Å; D28-R61 IonicContact OD2-NE 3.64Å; D28-R61 IonicContact OD2-NH2 3.57Å; D28-R61 PolarHBondContact OD2-NH2 3.46Å; L31-R61 HydrophobicContact CD2-CB 3.92Å; L31-R61 HydrophobicContact CD2-CG 3.92Å; S57-R61 WeakPolarHBondContact O-CB 3.43Å; S57-R61 PolarHBondContact O-N 3.36Å; C58-R61 PolarHBondContact O-N 3.31Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 PolarHBondContact O-N 2.95Å; R61-Q65 WeakPolarHBondContact O-CB 3.33Å; R61-Q65 PolarHBondContact O-N 3.3Å; R61-L66 HydrophobicContact CG-CD1 3.85Å; R61-L66 HydrophobicContact CG-CG 4.08Å; R61-L66 PolarHBondContact O-N 3.3Å
62W98.1Very high96Very high22 Ų2261.5 Ų61.58%0.08332%0.315CS..Iπ-helixtrans-57.3-59.2178.2-177.9-96.5000112.1T32 V35 W43 C58 R59 N64 Q65 L66 S67T32-W62 HydrophobicContact CG2-CH2 4.48Å; T32-W62 HydrophobicContact CG2-CZ3 4.11Å; V35-W62 HydrophobicContact CB-CD2 4.31Å; V35-W62 HydrophobicContact CB-CE3 4.05Å; V35-W62 HydrophobicContact CB-CH2 4.05Å; V35-W62 HydrophobicContact CB-CZ2 4.3Å; V35-W62 HydrophobicContact CB-CZ3 3.95Å; V35-W62 HydrophobicContact CG1-CD2 3.94Å; V35-W62 HydrophobicContact CG1-CE3 4.12Å; V35-W62 HydrophobicContact CG1-CH2 3.69Å; V35-W62 HydrophobicContact CG1-CZ2 3.46Å; V35-W62 VanDerWaalsContact CG1-CZ2 3.46Å; V35-W62 HydrophobicContact CG1-CZ3 4.03Å; V35-W62 HydrophobicContact CG2-CD2 3.99Å; V35-W62 HydrophobicContact CG2-CE3 3.82Å; V35-W62 HydrophobicContact CG2-CG 4.48Å; V35-W62 HydrophobicContact CG2-CZ3 4.22Å; W43-W62 HydrophobicContact CH2-CB 3.62Å; W43-W62 AromaticContact CH2-CD1 3.65Å; W43-W62 AromaticContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CZ3-CB 3.96Å; W43-W62 HydrophobicContact CZ3-CG 4.29Å; C58-W62 WeakPolarHBondContact O-CB 2.98Å; C58-W62 PolarHBondContact O-N 2.94Å; R59-W62 PolarHBondContact O-N 2.9Å; W62-N64 PolarHBondContact O-N 2.99Å; W62-N64 VanDerWaalsContact O-N 3.15Å; W62-Q65 PolarHBondContact O-N 3.32Å; W62-L66 HydrophobicContact CD2-CB 4.47Å; W62-L66 HydrophobicContact CE3-CB 3.69Å; W62-L66 HydrophobicContact CE3-CD1 4.47Å; W62-L66 HydrophobicContact CZ3-CB 4.03Å; W62-L66 PolarHBondContact O-N 2.93Å; W62-L66 VanDerWaalsContact O-N 3.15Å; W62-S67 PolarHBondContact NE1-OG 3.27Å; W62-S67 PolarHBondContact O-N 3.19Å
63C96.8Very high96.2Very high53 Ų5366.3 Ų66.336%0.35833%0.331SS..Iπ-helixtrans-66.2-20.4-173.3-63.90000114.3R59 T105R59-C63 WeakPolarHBondContact O-CB 3.33Å; R59-C63 PolarHBondContact O-N 3.11Å; R59-C63 PolarHBondContact O-SG 3.04Å; R59-C63 VanDerWaalsContact O-SG 3.34Å; C63-T105 WeakPolarHBondContact O-CG2 3.41Å
64N97.1Very high96.3Very high21 Ų2170.8 Ų70.811%0.11236%0.362CS..Iπ-helixtrans-105.4-19.3-178.2-70.9-60.3000114.7L60 W62 N107L60-N64 WeakPolarHBondContact CD1-ND2 3.39Å; L60-N64 WeakPolarHBondContact O-CB 3.49Å; L60-N64 PolarHBondContact O-N 3.21Å; L60-N64 PolarHBondContact O-ND2 3.2Å; W62-N64 PolarHBondContact O-N 2.99Å; W62-N64 VanDerWaalsContact O-N 3.15Å; N64-N107 WeakPolarHBondContact OD1-CB 3.29Å
65Q96.6Very high96.4Very high76 Ų7670.1 Ų70.136%0.35535%0.353SS..Iπ-helixtrans-142.3-33.3-168.6-60.1-67.2-3.500115.7R61 W62 H72R61-Q65 WeakPolarHBondContact O-CB 3.33Å; R61-Q65 PolarHBondContact O-N 3.3Å; W62-Q65 PolarHBondContact O-N 3.32Å; Q65-H72 PolarHBondContact O-CE1 3.28Å; Q65-H72 PolarHBondContact O-NE2 2.84Å; Q65-H72 VanDerWaalsContact O-NE2 3.1Å; Q65-H72 PolarHBondContact OE1-CE1 2.94Å
66L97.3Very high96.4Very high38 Ų3871.9 Ų71.920%0.19936%0.361CS..Iπ-helixtrans-105.7-23.9-171.9-56.9179.9000114.2D28 L31 R61 W62D28-L66 HydrophobicContact CB-CD1 3.98Å; D28-L66 HydrophobicContact CB-CD2 3.84Å; L31-L66 HydrophobicContact CB-CD1 4.2Å; L31-L66 HydrophobicContact CD2-CD1 3.66Å; L31-L66 HydrophobicContact CG-CD1 4.01Å; R61-L66 HydrophobicContact CG-CD1 3.85Å; R61-L66 HydrophobicContact CG-CG 4.08Å; R61-L66 PolarHBondContact O-N 3.3Å; W62-L66 HydrophobicContact CD2-CB 4.47Å; W62-L66 HydrophobicContact CE3-CB 3.69Å; W62-L66 HydrophobicContact CE3-CD1 4.47Å; W62-L66 HydrophobicContact CZ3-CB 4.03Å; W62-L66 PolarHBondContact O-N 2.93Å; W62-L66 VanDerWaalsContact O-N 3.15Å
67S96.3Very high96.4Very high16 Ų1668.7 Ų68.711%0.11236%0.358CS..SBendtrans-58.7134.2178.7-156.80000109.3W62 D69 V70W62-S67 PolarHBondContact NE1-OG 3.27Å; W62-S67 PolarHBondContact O-N 3.19Å; S67-D69 PolarHBondContact O-N 3.38Å; S67-D69 VanDerWaalsContact O-N 3.09Å; S67-D69 PolarHBondContact OG-OD2 3.15Å; S67-V70 WeakPolarHBondContact O-CB 3.14Å; S67-V70 PolarHBondContact O-N 3.4Å
68P96.2Very high96.4Very high107 Ų10773.5 Ų73.570%0.69538%0.377SS*.THydrogen-bonded Turntrans-60.4-23.6-18024.2-34.5000112.7V70P68-V70 PolarHBondContact O-N 2.81Å
69D95.4Very high96.4Very high112 Ų11274 Ų7460%0.59938%0.379SS*.THydrogen-bonded Turntrans-69-12.9175.3-47.1-57.2000113.2S67 G103S67-D69 PolarHBondContact O-N 3.38Å; S67-D69 VanDerWaalsContact O-N 3.09Å; S67-D69 PolarHBondContact OG-OD2 3.15Å; D69-G103 WeakPolarHBondContact O-CA 3.35Å
70V96.9Very high96.3Very high18 Ų1869 Ų6911%0.10936%0.363CS..  trans-88.8117.2-177.2178.90000110.4S67 P68 H72 T105S67-V70 WeakPolarHBondContact O-CB 3.14Å; S67-V70 PolarHBondContact O-N 3.4Å; P68-V70 PolarHBondContact O-N 2.81Å; V70-H72 PolarHBondContact O-CD2 3.13Å; V70-T105 HydrophobicContact CB-CG2 4.5Å; V70-T105 HydrophobicContact CG1-CG2 4.02Å; V70-T105 HydrophobicContact CG2-CG2 3.72Å
71H96.3Very high96.1Very high82 Ų8266.2 Ų66.238%0.3836%0.356SS..  trans-87.4121.6177.6-64160.4000112.2R73 P102 G103 R104H71-R73 HydrophobicContact CB-CG 4.4Å; H71-P102 PolarHBondContact ND1-O 2.91Å; H71-G103 PolarHBondContact N-O 3.05Å; H71-R104 PolarHBondContact O-NH1 3.12Å
72H94.4Very high96.1Very high125 Ų12566.5 Ų66.558%0.57936%0.362SS*.  trans-93.8-5.5178.1-56.9-76.5000114.8Q65 V70Q65-H72 PolarHBondContact O-CE1 3.28Å; Q65-H72 PolarHBondContact O-NE2 2.84Å; Q65-H72 VanDerWaalsContact O-NE2 3.1Å; Q65-H72 PolarHBondContact OE1-CE1 2.94Å; V70-H72 PolarHBondContact O-CD2 3.13Å
73R95Very high96Very high109 Ų10965.5 Ų65.541%0.41136%0.358SS..SBendtrans-61.3155.9178.362.3173.3178.671.25.3111.9H71 E79 R104H71-R73 HydrophobicContact CB-CG 4.4Å; R73-E79 IonicContact CZ-OE1 3.62Å; R73-E79 IonicContact CZ-OE2 3.59Å; R73-E79 IonicContact NH1-OE1 3.41Å; R73-E79 PolarHBondContact NH1-OE1 2.86Å; R73-E79 IonicContact NH1-OE2 3.5Å; R73-E79 PolarHBondContact NH1-OE2 3.03Å; R73-E79 IonicContact NH2-OE1 3.44Å; R73-E79 PolarHBondContact NH2-OE1 3.45Å; R73-E79 IonicContact NH2-OE2 2.81Å; R73-R104 PolarHBondContact O-NH1 2.97Å; R73-R104 PolarHBondContact O-NH2 3.22Å
74P96Very high95.9Very high113 Ų11366.2 Ų66.273%0.73436%0.358SS*.PPolyproline II helixtrans-53.1151.7171.4-2635.2000112.7R104P74-R104 PolarHBondContact O-NH2 2.84Å
75F96.4Very high95.8Very high42 Ų4268.3 Ų68.318%0.18438%0.379CS..PPolyproline II helixtrans-66.8133.9173.3-77.9-94.6000110E79 I83 R104 I109 H112F75-E79 WeakPolarHBondContact CA-OE2 3.41Å; F75-E79 HydrophobicContact CD1-CB 4.06Å; F75-I83 HydrophobicContact CD1-CD1 3.77Å; F75-I83 HydrophobicContact CE1-CD1 3.7Å; F75-R104 HydrophobicContact CE1-CG 4.04Å; F75-I109 HydrophobicContact CE1-CG1 4.3Å; F75-I109 HydrophobicContact CZ-CG1 4.44Å; F75-H112 AromaticContact CD1-CD2 3.79Å; F75-H112 HydrophobicContact CD2-CB 3.82Å; F75-H112 AromaticContact CD2-CD2 3.83Å; F75-H112 AromaticContact CD2-CE1 3.88Å; F75-H112 AromaticContact CD2-CG 3.45Å; F75-H112 VanDerWaalsContact CD2-CG 3.45Å; F75-H112 AromaticContact CD2-ND1 3.54Å; F75-H112 HydrophobicContact CE1-CB 4.38Å; F75-H112 HydrophobicContact CE2-CB 3.52Å; F75-H112 AromaticContact CE2-CG 3.72Å; F75-H112 HydrophobicContact CG-CB 4.38Å; F75-H112 AromaticContact CG-CD2 3.57Å; F75-H112 AromaticContact CG-CE1 3.84Å; F75-H112 AromaticContact CG-CG 3.72Å; F75-H112 AromaticContact CG-ND1 3.93Å; F75-H112 AromaticContact CG-NE2 3.65Å; F75-H112 HydrophobicContact CZ-CB 3.83Å
76T96.2Very high95.8Very high53 Ų5365 Ų6533%0.32536%0.364SS..PPolyproline II helixtrans-81.8156.7175.164.70000110.4H78 E79 D80T76-H78 PolarHBondContact O-N 3.28Å; T76-H78 VanDerWaalsContact O-N 3.16Å; T76-E79 PolarHBondContact N-OE2 2.75Å; T76-E79 WeakPolarHBondContact O-CB 3.26Å; T76-E79 PolarHBondContact O-N 3.28Å; T76-E79 VanDerWaalsContact OG1-CG 3.28Å; T76-E79 WeakPolarHBondContact OG1-CG 3.48Å; T76-E79 PolarHBondContact OG1-N 2.89Å; T76-E79 PolarHBondContact OG1-OE2 2.91Å; T76-D80 PolarHBondContact O-N 3.18Å
77P94.1Very high95.7Very high112 Ų11264.4 Ų64.473%0.72736%0.36SS*.Hα-helixtrans-56.8-30.4173.8-2635.1000113.5D80 A81P77-D80 PolarHBondContact O-N 3.48Å; P77-A81 PolarHBondContact O-N 2.92Å
78H95.7Very high95.6Very high132 Ų13267.9 Ų67.961%0.61139%0.39SS*.Hα-helixtrans-67.5-46174.2-178.476000111.9T76 D80 A81 L82T76-H78 PolarHBondContact O-N 3.28Å; T76-H78 VanDerWaalsContact O-N 3.16Å; H78-D80 VanDerWaalsContact C-N 3.28Å; H78-D80 PolarHBondContact O-N 3.19Å; H78-A81 PolarHBondContact O-N 2.94Å; H78-L82 PolarHBondContact O-N 2.65Å
79E96.9Very high95.6Very high11 Ų1171.6 Ų71.65%0.05139%0.39CS..Hα-helixtrans-59.9-40.5173.8-68171.9138.600110.8R73 F75 T76 A81 L82 I83 L101 R104R73-E79 IonicContact CZ-OE1 3.62Å; R73-E79 IonicContact CZ-OE2 3.59Å; R73-E79 IonicContact NH1-OE1 3.41Å; R73-E79 PolarHBondContact NH1-OE1 2.86Å; R73-E79 IonicContact NH1-OE2 3.5Å; R73-E79 PolarHBondContact NH1-OE2 3.03Å; R73-E79 IonicContact NH2-OE1 3.44Å; R73-E79 PolarHBondContact NH2-OE1 3.45Å; R73-E79 IonicContact NH2-OE2 2.81Å; F75-E79 WeakPolarHBondContact CA-OE2 3.41Å; F75-E79 HydrophobicContact CD1-CB 4.06Å; T76-E79 PolarHBondContact N-OE2 2.75Å; T76-E79 WeakPolarHBondContact O-CB 3.26Å; T76-E79 PolarHBondContact O-N 3.28Å; T76-E79 VanDerWaalsContact OG1-CG 3.28Å; T76-E79 WeakPolarHBondContact OG1-CG 3.48Å; T76-E79 PolarHBondContact OG1-N 2.89Å; T76-E79 PolarHBondContact OG1-OE2 2.91Å; E79-A81 PolarHBondContact O-N 3.03Å; E79-L82 PolarHBondContact O-N 3.04Å; E79-I83 VanDerWaalsContact O-CG1 3.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.28Å; E79-I83 PolarHBondContact O-N 3.25Å; E79-L101 HydrophobicContact CB-CD2 4.11Å; E79-L101 HydrophobicContact CG-CD2 4.01Å; E79-R104 IonicContact OE1-CZ 3.46Å; E79-R104 IonicContact OE1-NE 3.8Å; E79-R104 PolarHBondContact OE1-NE 3.06Å; E79-R104 IonicContact OE1-NH2 2.77Å; E79-R104 PolarHBondContact OE1-NH2 3.33Å; E79-R104 IonicContact OE2-CZ 3.51Å; E79-R104 IonicContact OE2-NE 3.57Å; E79-R104 IonicContact OE2-NH2 3.79Å; E79-R104 PolarHBondContact OE2-NH2 2.83Å
80D95.5Very high95.7Very high38 Ų3870 Ų7020%0.20338%0.376CS..Hα-helixtrans-59.7-45.4176.1-73.62.1000112.4T76 P77 H78 L82 I83 L84 H112 L117T76-D80 PolarHBondContact O-N 3.18Å; P77-D80 PolarHBondContact O-N 3.48Å; H78-D80 VanDerWaalsContact C-N 3.28Å; H78-D80 PolarHBondContact O-N 3.19Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 3.44Å; D80-I83 PolarHBondContact O-N 3.21Å; D80-L84 WeakPolarHBondContact O-CB 3.45Å; D80-L84 VanDerWaalsContact O-CG 3.3Å; D80-L84 WeakPolarHBondContact O-CG 3.48Å; D80-L84 PolarHBondContact O-N 3Å; D80-H112 IonicContact OD1-CD2 2.82Å; D80-H112 IonicContact OD1-CE1 3.31Å; D80-H112 IonicContact OD1-NE2 2.88Å; D80-H112 PolarHBondContact OD1-NE2 2.92Å; D80-H112 IonicContact OD2-NE2 2.8Å; D80-L117 HydrophobicContact CB-CD2 4.13Å
81A94.2Very high95.6Very high53 Ų5370.4 Ų70.444%0.43838%0.384SS..Hα-helixtrans-61.2-43.3176.900000111.6P77 H78 E79 L84 A85P77-A81 PolarHBondContact O-N 2.92Å; H78-A81 PolarHBondContact O-N 2.94Å; E79-A81 PolarHBondContact O-N 3.03Å; A81-L84 PolarHBondContact O-N 3.36Å; A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.94Å
82L96.3Very high95.6Very high64 Ų6471.7 Ų71.734%0.33539%0.394SS..Hα-helixtrans-62.9-44.1175.3-72.7175.4000112H78 E79 D80 L84 A85 A86 L101H78-L82 PolarHBondContact O-N 2.65Å; E79-L82 PolarHBondContact O-N 3.04Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 3.44Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.34Å; L82-A85 PolarHBondContact O-N 3.4Å; L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.95Å; L82-L101 HydrophobicContact CB-CD2 4Å; L82-L101 HydrophobicContact CD1-CD2 3.68Å
83I96.2Very high95.8Very high0 Ų071.8 Ų71.80%039%0.393CS..Hα-helixtrans-62-43.8177.5-66.4165.6000110.4F75 E79 D80 H87 I97 L101 I109 W113 L117F75-I83 HydrophobicContact CD1-CD1 3.77Å; F75-I83 HydrophobicContact CE1-CD1 3.7Å; E79-I83 VanDerWaalsContact O-CG1 3.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.28Å; E79-I83 PolarHBondContact O-N 3.25Å; D80-I83 PolarHBondContact O-N 3.21Å; I83-H87 WeakPolarHBondContact O-CB 3.35Å; I83-H87 PolarHBondContact O-N 3.45Å; I83-I97 HydrophobicContact CG1-CG2 4.5Å; I83-L101 HydrophobicContact CD1-CD1 3.99Å; I83-L101 HydrophobicContact CG1-CD1 3.43Å; I83-L101 VanDerWaalsContact CG1-CD1 3.43Å; I83-I109 HydrophobicContact CD1-CG1 4.45Å; I83-I109 HydrophobicContact CD1-CG2 4.15Å; I83-I109 HydrophobicContact CG1-CG2 4.09Å; I83-I109 HydrophobicContact CG2-CG2 4.07Å; I83-W113 HydrophobicContact CG2-CE3 4.15Å; I83-L117 HydrophobicContact CB-CD1 3.95Å; I83-L117 HydrophobicContact CG2-CD1 3.49Å; I83-L117 VanDerWaalsContact CG2-CD1 3.49Å
84L94.5Very high95.9Very high68 Ų6868.3 Ų68.336%0.35638%0.379SS..Hα-helixtrans-62.9-48.4178.4-73.7167.2000111.8D80 A81 L82 H87 A88 W113 L117 R121D80-L84 WeakPolarHBondContact O-CB 3.45Å; D80-L84 VanDerWaalsContact O-CG 3.3Å; D80-L84 WeakPolarHBondContact O-CG 3.48Å; D80-L84 PolarHBondContact O-N 3Å; A81-L84 PolarHBondContact O-N 3.36Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.34Å; L84-H87 PolarHBondContact O-N 3.14Å; L84-A88 PolarHBondContact O-N 3.24Å; L84-W113 HydrophobicContact CD2-CZ3 4.04Å; L84-L117 HydrophobicContact CD1-CD2 4.49Å; L84-L117 HydrophobicContact CD2-CB 4.5Å; L84-L117 HydrophobicContact CG-CD1 4.46Å; L84-L117 HydrophobicContact CG-CD2 4.44Å; L84-R121 HydrophobicContact CD2-CG 4.04Å
85A95.3Very high96Very high66 Ų6665.7 Ų65.755%0.54537%0.367SS..Hα-helixtrans-64-45.1178.700000111.8A81 L82 A88 R89A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.94Å; L82-A85 PolarHBondContact O-N 3.4Å; A85-A88 PolarHBondContact O-N 2.99Å; A85-R89 PolarHBondContact O-N 2.96Å
86A96.9Very high96.1Very high6 Ų665.7 Ų65.75%0.0537%0.37CS..Hα-helixtrans-68-37.3178.900000112.1L82 R89 Y90 I97 L100L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.95Å; A86-R89 PolarHBondContact O-N 3.25Å; A86-Y90 HydrophobicContact CB-CD2 4.26Å; A86-Y90 WeakPolarHBondContact O-CB 3.49Å; A86-Y90 VanDerWaalsContact O-CD2 3.28Å; A86-Y90 WeakPolarHBondContact O-CD2 3.36Å; A86-Y90 PolarHBondContact O-N 3.48Å; A86-I97 HydrophobicContact CB-CB 4.48Å; A86-I97 HydrophobicContact CB-CD1 4.37Å; A86-I97 HydrophobicContact CB-CG1 3.95Å; A86-I97 HydrophobicContact CB-CG2 4Å; A86-L100 HydrophobicContact CB-CD1 3.85Å
87H95.5Very high96.1Very high26 Ų2663.1 Ų63.112%0.1236%0.355CS..Hα-helixtrans-65.9-39.4174.7-173.7-86.2000112I83 L84 R89 G91 N92 W94 I97 W113I83-H87 WeakPolarHBondContact O-CB 3.35Å; I83-H87 PolarHBondContact O-N 3.45Å; L84-H87 PolarHBondContact O-N 3.14Å; H87-R89 PolarHBondContact O-N 3.35Å; H87-G91 PolarHBondContact CD2-O 2.65Å; H87-G91 VanDerWaalsContact CD2-O 3.27Å; H87-G91 WeakPolarHBondContact O-CA 3.34Å; H87-G91 PolarHBondContact O-N 3.01Å; H87-N92 PolarHBondContact NE2-OD1 2.88Å; H87-W94 AromaticContact CD2-CH2 3.65Å; H87-W94 AromaticContact CD2-CZ3 3.95Å; H87-I97 HydrophobicContact CB-CD1 4.37Å; H87-W113 HydrophobicContact CB-CE3 4.35Å; H87-W113 HydrophobicContact CB-CH2 4.02Å; H87-W113 HydrophobicContact CB-CZ3 3.73Å; H87-W113 AromaticContact CD2-CH2 3.89Å; H87-W113 AromaticContact CD2-CZ2 3.9Å; H87-W113 AromaticContact CE1-CE2 3.99Å; H87-W113 AromaticContact CE1-CH2 3.48Å; H87-W113 VanDerWaalsContact CE1-CH2 3.48Å; H87-W113 WeakPolarHBondContact CE1-CH2 3.31Å; H87-W113 AromaticContact CE1-CZ2 3.27Å; H87-W113 WeakPolarHBondContact CE1-CZ2 3.15Å; H87-W113 AromaticContact CG-CH2 3.38Å; H87-W113 AromaticContact CG-CZ2 3.84Å; H87-W113 AromaticContact CG-CZ3 3.52Å; H87-W113 AromaticContact ND1-CH2 3.09Å; H87-W113 WeakPolarHBondContact ND1-CH2 3.36Å; H87-W113 AromaticContact ND1-CZ2 3.45Å; H87-W113 WeakPolarHBondContact ND1-CZ2 3.41Å; H87-W113 AromaticContact ND1-CZ3 3.75Å; H87-W113 AromaticContact NE2-CE2 3.78Å; H87-W113 AromaticContact NE2-CH2 3.92Å; H87-W113 AromaticContact NE2-CZ2 3.54Å
88A94.1Very high96.3Very high89 Ų8958.7 Ų58.774%0.73633%0.328SS*.Hα-helixtrans-60-35.6173.900000112.2L84 A85L84-A88 PolarHBondContact O-N 3.24Å; A85-A88 PolarHBondContact O-N 2.99Å
89R96.6Very high96.4Very high184 Ų18461.9 Ų61.969%0.69433%0.334SS*.Hα-helixtrans-83.1-40.9-180-173174.3-178.5175.12.6114.4A85 A86 H87A85-R89 PolarHBondContact O-N 2.96Å; A86-R89 PolarHBondContact O-N 3.25Å; H87-R89 PolarHBondContact O-N 3.35Å
90Y96.6Very high96.3Very high79 Ų7965.7 Ų65.731%0.3135%0.354SS..Hα-helixtrans-113.9-10.9-168.7-59.1-62.4000114.1A86 K93 T96 L100A86-Y90 HydrophobicContact CB-CD2 4.26Å; A86-Y90 WeakPolarHBondContact O-CB 3.49Å; A86-Y90 VanDerWaalsContact O-CD2 3.28Å; A86-Y90 WeakPolarHBondContact O-CD2 3.36Å; A86-Y90 PolarHBondContact O-N 3.48Å; Y90-K93 VanDerWaalsContact O-CD 3.31Å; Y90-K93 WeakPolarHBondContact O-CD 3.45Å; Y90-K93 WeakPolarHBondContact O-CE 3.44Å; Y90-K93 VanDerWaalsContact O-CG 3.24Å; Y90-K93 WeakPolarHBondContact O-CG 3.39Å; Y90-T96 HydrophobicContact CD1-CG2 4.39Å; Y90-T96 HydrophobicContact CD2-CG2 4.25Å; Y90-T96 HydrophobicContact CE2-CG2 4.38Å; Y90-T96 HydrophobicContact CG-CG2 4.27Å; Y90-L100 HydrophobicContact CE2-CD1 4.49Å
91G95.3Very high96.4Very high27 Ų2764 Ų6428%0.27835%0.346SS..SBendtrans65-143.1-171.400000112.6H87 K93H87-G91 PolarHBondContact CD2-O 2.65Å; H87-G91 VanDerWaalsContact CD2-O 3.27Å; H87-G91 WeakPolarHBondContact O-CA 3.34Å; H87-G91 PolarHBondContact O-N 3.01Å; G91-K93 PolarHBondContact O-N 3.11Å
92N96.5Very high96.5Very high108 Ų10866.7 Ų66.758%0.57836%0.359SS*.SBendtrans-77.631.3-176.9-63-26000113.9H87 W94H87-N92 PolarHBondContact NE2-OD1 2.88Å; N92-W94 HydrophobicContact CB-CZ2 3.87Å; N92-W94 PolarHBondContact O-N 3.49Å; N92-W94 PolarHBondContact O-NE1 3.43Å; N92-W94 VanDerWaalsContact OD1-CZ2 3.31Å; N92-W94 WeakPolarHBondContact OD1-CZ2 3.37Å
93K97.6Very high96.5Very high128 Ų12864.8 Ų64.856%0.55736%0.355SS*.  trans-83.666.2176.7-66.4177.3-165-80.60110.3Y90 G91 A95 T96 I97Y90-K93 VanDerWaalsContact O-CD 3.31Å; Y90-K93 WeakPolarHBondContact O-CD 3.45Å; Y90-K93 WeakPolarHBondContact O-CE 3.44Å; Y90-K93 VanDerWaalsContact O-CG 3.24Å; Y90-K93 WeakPolarHBondContact O-CG 3.39Å; G91-K93 PolarHBondContact O-N 3.11Å; K93-A95 VanDerWaalsContact C-N 3.31Å; K93-A95 PolarHBondContact O-N 2.97Å; K93-T96 WeakPolarHBondContact O-CA 3.24Å; K93-T96 VanDerWaalsContact O-CB 3.3Å; K93-T96 WeakPolarHBondContact O-CB 3.48Å; K93-T96 PolarHBondContact O-N 2.86Å; K93-I97 PolarHBondContact O-N 3.04Å; K93-I97 VanDerWaalsContact O-N 3.1Å
94W98Very high96.5Very high36 Ų3665.4 Ų65.414%0.13636%0.357CS..Hα-helixtrans-55.7-40.5-171.1-52.8118.3000114.2H87 N92 T96 I97 A98 D106 I109 K110 W113H87-W94 AromaticContact CD2-CH2 3.65Å; H87-W94 AromaticContact CD2-CZ3 3.95Å; N92-W94 HydrophobicContact CB-CZ2 3.87Å; N92-W94 PolarHBondContact O-N 3.49Å; N92-W94 PolarHBondContact O-NE1 3.43Å; N92-W94 VanDerWaalsContact OD1-CZ2 3.31Å; N92-W94 WeakPolarHBondContact OD1-CZ2 3.37Å; W94-T96 VanDerWaalsContact C-N 3.27Å; W94-T96 PolarHBondContact O-N 3.16Å; W94-I97 HydrophobicContact CE3-CD1 3.99Å; W94-I97 HydrophobicContact CZ3-CD1 4.09Å; W94-I97 PolarHBondContact O-N 3.47Å; W94-A98 WeakPolarHBondContact O-CB 3.45Å; W94-A98 PolarHBondContact O-N 2.95Å; W94-D106 HydrophobicContact CB-CB 3.88Å; W94-I109 HydrophobicContact CE3-CG2 3.8Å; W94-I109 HydrophobicContact CZ3-CG2 4.12Å; W94-K110 HydrophobicContact CD2-CB 3.85Å; W94-K110 HydrophobicContact CD2-CG 4.37Å; W94-K110 HydrophobicContact CE3-CB 4.44Å; W94-K110 HydrophobicContact CG-CB 3.92Å; W94-K110 HydrophobicContact CG-CG 4.45Å; W94-K110 HydrophobicContact CZ2-CG 4.42Å; W94-W113 HydrophobicContact CH2-CB 3.73Å; W94-W113 AromaticContact CH2-CD1 3.58Å; W94-W113 AromaticContact CH2-CD2 3.91Å; W94-W113 HydrophobicContact CH2-CD2 3.91Å; W94-W113 AromaticContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CH2-CG 3.45Å; W94-W113 VanDerWaalsContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CZ2-CG 4.32Å; W94-W113 HydrophobicContact CZ3-CB 4.01Å; W94-W113 HydrophobicContact CZ3-CD2 4.46Å; W94-W113 HydrophobicContact CZ3-CG 4.11Å
95A97.5Very high96.7Very high57 Ų5763.1 Ų63.147%0.47135%0.345SS..Hα-helixtrans-62.6-34.1176.100000112.6K93 R99K93-A95 VanDerWaalsContact C-N 3.31Å; K93-A95 PolarHBondContact O-N 2.97Å; A95-R99 WeakPolarHBondContact O-CG 3.4Å
96T97.6Very high96.8Very high42 Ų4263.3 Ų63.326%0.25834%0.337SS..Hα-helixtrans-69.3-43.4173.9-56.20000110.8Y90 K93 W94 A98 R99Y90-T96 HydrophobicContact CD1-CG2 4.39Å; Y90-T96 HydrophobicContact CD2-CG2 4.25Å; Y90-T96 HydrophobicContact CE2-CG2 4.38Å; Y90-T96 HydrophobicContact CG-CG2 4.27Å; K93-T96 WeakPolarHBondContact O-CA 3.24Å; K93-T96 VanDerWaalsContact O-CB 3.3Å; K93-T96 WeakPolarHBondContact O-CB 3.48Å; K93-T96 PolarHBondContact O-N 2.86Å; W94-T96 VanDerWaalsContact C-N 3.27Å; W94-T96 PolarHBondContact O-N 3.16Å; T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.41Å; T96-R99 PolarHBondContact O-N 3.26Å
97I97.9Very high96.8Very high0 Ų065 Ų650%035%0.346CS..Hα-helixtrans-65.6-39179-58.1176.4000110.8I83 A86 H87 K93 W94 R99 L100 L101 I109I83-I97 HydrophobicContact CG1-CG2 4.5Å; A86-I97 HydrophobicContact CB-CB 4.48Å; A86-I97 HydrophobicContact CB-CD1 4.37Å; A86-I97 HydrophobicContact CB-CG1 3.95Å; A86-I97 HydrophobicContact CB-CG2 4Å; H87-I97 HydrophobicContact CB-CD1 4.37Å; K93-I97 PolarHBondContact O-N 3.04Å; K93-I97 VanDerWaalsContact O-N 3.1Å; W94-I97 HydrophobicContact CE3-CD1 3.99Å; W94-I97 HydrophobicContact CZ3-CD1 4.09Å; W94-I97 PolarHBondContact O-N 3.47Å; I97-R99 PolarHBondContact O-N 3.47Å; I97-L100 WeakPolarHBondContact O-CB 3.5Å; I97-L100 PolarHBondContact O-N 3.26Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; I97-I109 HydrophobicContact CG2-CD1 4.33Å; I97-I109 HydrophobicContact CG2-CG2 4.02Å
98A97.7Very high96.9Very high19 Ų1965 Ų6516%0.15735%0.349CS..Hα-helixtrans-58.9-31178.200000113.4W94 T96 L100 L101 D106 I109W94-A98 WeakPolarHBondContact O-CB 3.45Å; W94-A98 PolarHBondContact O-N 2.95Å; T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.41Å; A98-L100 PolarHBondContact O-N 2.88Å; A98-L101 PolarHBondContact O-N 3.04Å; A98-L101 VanDerWaalsContact O-N 3.14Å; A98-D106 HydrophobicContact CB-CB 4.18Å; A98-I109 VanDerWaalsContact CA-CD1 3.4Å; A98-I109 HydrophobicContact CB-CD1 3.75Å
99R97.2Very high97.1Very high199 Ų19960.8 Ų60.875%0.75131%0.313SS*.THydrogen-bonded Turntrans-65.4-20.9175.6-65.2172.3-170.7158.70.6113.3A95 T96 I97A95-R99 WeakPolarHBondContact O-CG 3.4Å; T96-R99 PolarHBondContact O-N 3.26Å; I97-R99 PolarHBondContact O-N 3.47Å
100L96.3Very high97.1Very high90 Ų9055.1 Ų55.147%0.47129%0.294SS..THydrogen-bonded Turntrans-88-9.9177.9-55.4175.9000112.7A86 Y90 I97 A98A86-L100 HydrophobicContact CB-CD1 3.85Å; Y90-L100 HydrophobicContact CE2-CD1 4.49Å; I97-L100 WeakPolarHBondContact O-CB 3.5Å; I97-L100 PolarHBondContact O-N 3.26Å; A98-L100 PolarHBondContact O-N 2.88Å
101L96.8Very high97.1Very high3 Ų354.9 Ų54.92%0.01630%0.298CS..SBendtrans-126.688.8-170.8-67.8167.5000109.4E79 L82 I83 I97 A98 G103 R104 I109E79-L101 HydrophobicContact CB-CD2 4.11Å; E79-L101 HydrophobicContact CG-CD2 4.01Å; L82-L101 HydrophobicContact CB-CD2 4Å; L82-L101 HydrophobicContact CD1-CD2 3.68Å; I83-L101 HydrophobicContact CD1-CD1 3.99Å; I83-L101 HydrophobicContact CG1-CD1 3.43Å; I83-L101 VanDerWaalsContact CG1-CD1 3.43Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; A98-L101 PolarHBondContact O-N 3.04Å; A98-L101 VanDerWaalsContact O-N 3.14Å; L101-G103 PolarHBondContact O-N 3.49Å; L101-R104 HydrophobicContact CB-CB 3.82Å; L101-R104 HydrophobicContact CB-CG 3.96Å; L101-R104 PolarHBondContact O-N 2.98Å; L101-I109 HydrophobicContact CB-CD1 4.43Å; L101-I109 HydrophobicContact CD1-CD1 3.74Å; L101-I109 HydrophobicContact CD1-CG1 4.02Å
102P95.6Very high97.1Very high110 Ų11054.5 Ų54.571%0.71429%0.289SS*.THydrogen-bonded Turntrans-58.5130.8-176.423.4-32.8000111.3H71 R104H71-P102 PolarHBondContact ND1-O 2.91Å; P102-R104 VanDerWaalsContact C-N 3.26Å; P102-R104 PolarHBondContact O-N 3.23Å
103G96.1Very high97.1Very high24 Ų2450.1 Ų50.125%0.24726%0.264CS..THydrogen-bonded Turntrans72.56-176.700000116.4D69 H71 L101D69-G103 WeakPolarHBondContact O-CA 3.35Å; H71-G103 PolarHBondContact N-O 3.05Å; L101-G103 PolarHBondContact O-N 3.49Å
104R97.8Very high96.9Very high13 Ų1347.8 Ų47.85%0.04926%0.258CS..  trans-98.7128.6168.7-59.4-55.6-170.8169.711.9110.4H71 R73 P74 F75 E79 L101 P102 I109H71-R104 PolarHBondContact O-NH1 3.12Å; R73-R104 PolarHBondContact O-NH1 2.97Å; R73-R104 PolarHBondContact O-NH2 3.22Å; P74-R104 PolarHBondContact O-NH2 2.84Å; F75-R104 HydrophobicContact CE1-CG 4.04Å; E79-R104 IonicContact OE1-CZ 3.46Å; E79-R104 IonicContact OE1-NE 3.8Å; E79-R104 PolarHBondContact OE1-NE 3.06Å; E79-R104 IonicContact OE1-NH2 2.77Å; E79-R104 PolarHBondContact OE1-NH2 3.33Å; E79-R104 IonicContact OE2-CZ 3.51Å; E79-R104 IonicContact OE2-NE 3.57Å; E79-R104 IonicContact OE2-NH2 3.79Å; E79-R104 PolarHBondContact OE2-NH2 2.83Å; L101-R104 HydrophobicContact CB-CB 3.82Å; L101-R104 HydrophobicContact CB-CG 3.96Å; L101-R104 PolarHBondContact O-N 2.98Å; P102-R104 VanDerWaalsContact C-N 3.26Å; P102-R104 PolarHBondContact O-N 3.23Å; R104-I109 HydrophobicContact CB-CD1 4.04Å; R104-I109 HydrophobicContact CB-CG1 4.09Å
105T97.9Very high96.5Very high19 Ų1948.7 Ų48.712%0.11727%0.27CS..  trans-82.6153.7175.664.10000110.7C63 V70 N107 S108 I109C63-T105 WeakPolarHBondContact O-CG2 3.41Å; V70-T105 HydrophobicContact CB-CG2 4.5Å; V70-T105 HydrophobicContact CG1-CG2 4.02Å; V70-T105 HydrophobicContact CG2-CG2 3.72Å; T105-N107 PolarHBondContact O-N 3.5Å; T105-S108 PolarHBondContact N-OG 2.76Å; T105-S108 WeakPolarHBondContact O-CB 3.28Å; T105-S108 PolarHBondContact O-N 2.89Å; T105-S108 PolarHBondContact O-OG 3.05Å; T105-S108 WeakPolarHBondContact OG1-CB 3.48Å; T105-S108 PolarHBondContact OG1-N 3.3Å; T105-S108 VanDerWaalsContact OG1-N 3.11Å; T105-S108 PolarHBondContact OG1-OG 3.45Å; T105-I109 WeakPolarHBondContact O-CG1 3.37Å; T105-I109 PolarHBondContact O-N 3.07Å
106D97.6Very high96.1Very high70 Ų7049.5 Ų49.537%0.37427%0.266SS..Hα-helixtrans-55.4-36.9173.867.7-56.6000111.5W94 A98 I109 K110W94-D106 HydrophobicContact CB-CB 3.88Å; A98-D106 HydrophobicContact CB-CB 4.18Å; D106-I109 PolarHBondContact O-N 3.04Å; D106-K110 VanDerWaalsContact O-CB 3.29Å; D106-K110 WeakPolarHBondContact O-CB 3.39Å; D106-K110 PolarHBondContact O-N 3.15Å
107N97.5Very high95.2Very high43 Ų4347.7 Ų47.723%0.2326%0.255CS..Hα-helixtrans-65.1-43.2174.6-170.463.8000112.3N64 T105 I109 K110 N111N64-N107 WeakPolarHBondContact OD1-CB 3.29Å; T105-N107 PolarHBondContact O-N 3.5Å; N107-I109 PolarHBondContact O-N 3.44Å; N107-K110 WeakPolarHBondContact OD1-CE 3.4Å; N107-K110 PolarHBondContact OD1-NZ 3.49Å; N107-N111 WeakPolarHBondContact O-CB 3.29Å; N107-N111 PolarHBondContact O-N 2.95Å; N107-N111 PolarHBondContact O-OD1 3.43Å
108S97.3Very high94.1Very high25 Ų2554.5 Ų54.518%0.17528%0.281CS..Hα-helixtrans-61-43.9176.873.40000111.9T105 N111 H112T105-S108 PolarHBondContact N-OG 2.76Å; T105-S108 WeakPolarHBondContact O-CB 3.28Å; T105-S108 PolarHBondContact O-N 2.89Å; T105-S108 PolarHBondContact O-OG 3.05Å; T105-S108 WeakPolarHBondContact OG1-CB 3.48Å; T105-S108 PolarHBondContact OG1-N 3.3Å; T105-S108 VanDerWaalsContact OG1-N 3.11Å; T105-S108 PolarHBondContact OG1-OG 3.45Å; S108-N111 PolarHBondContact O-N 2.9Å; S108-H112 WeakPolarHBondContact O-CB 3.3Å; S108-H112 PolarHBondContact O-N 3.42Å
109I97.5Very high92.8Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-67.4-46.8-179.2-65.8159000110.8F75 I83 W94 I97 A98 L101 R104 T105 D106 N107 N111 H112 W113F75-I109 HydrophobicContact CE1-CG1 4.3Å; F75-I109 HydrophobicContact CZ-CG1 4.44Å; I83-I109 HydrophobicContact CD1-CG1 4.45Å; I83-I109 HydrophobicContact CD1-CG2 4.15Å; I83-I109 HydrophobicContact CG1-CG2 4.09Å; I83-I109 HydrophobicContact CG2-CG2 4.07Å; W94-I109 HydrophobicContact CE3-CG2 3.8Å; W94-I109 HydrophobicContact CZ3-CG2 4.12Å; I97-I109 HydrophobicContact CG2-CD1 4.33Å; I97-I109 HydrophobicContact CG2-CG2 4.02Å; A98-I109 VanDerWaalsContact CA-CD1 3.4Å; A98-I109 HydrophobicContact CB-CD1 3.75Å; L101-I109 HydrophobicContact CB-CD1 4.43Å; L101-I109 HydrophobicContact CD1-CD1 3.74Å; L101-I109 HydrophobicContact CD1-CG1 4.02Å; R104-I109 HydrophobicContact CB-CD1 4.04Å; R104-I109 HydrophobicContact CB-CG1 4.09Å; T105-I109 WeakPolarHBondContact O-CG1 3.37Å; T105-I109 PolarHBondContact O-N 3.07Å; D106-I109 PolarHBondContact O-N 3.04Å; N107-I109 PolarHBondContact O-N 3.44Å; I109-N111 VanDerWaalsContact C-N 3.3Å; I109-N111 PolarHBondContact O-N 3.33Å; I109-H112 PolarHBondContact O-N 3.44Å; I109-W113 WeakPolarHBondContact O-CB 3.48Å; I109-W113 PolarHBondContact O-N 2.82Å
110K96.9Very high91.3Very high65 Ų6554.4 Ų54.428%0.28329%0.286SS..Hα-helixtrans-57.1-44.3175176.3-167.371-163.30111.4W94 D106 N107 W113 N114W94-K110 HydrophobicContact CD2-CB 3.85Å; W94-K110 HydrophobicContact CD2-CG 4.37Å; W94-K110 HydrophobicContact CE3-CB 4.44Å; W94-K110 HydrophobicContact CG-CB 3.92Å; W94-K110 HydrophobicContact CG-CG 4.45Å; W94-K110 HydrophobicContact CZ2-CG 4.42Å; D106-K110 VanDerWaalsContact O-CB 3.29Å; D106-K110 WeakPolarHBondContact O-CB 3.39Å; D106-K110 PolarHBondContact O-N 3.15Å; N107-K110 WeakPolarHBondContact OD1-CE 3.4Å; N107-K110 PolarHBondContact OD1-NZ 3.49Å; K110-W113 PolarHBondContact O-N 3.34Å; K110-N114 WeakPolarHBondContact O-CB 3.3Å; K110-N114 PolarHBondContact O-N 3.34Å; K110-N114 PolarHBondContact O-ND2 3.03Å
111N96.5Very high89.9Confident75 Ų7557 Ų5740%0.40129%0.29SS..Hα-helixtrans-65.5-43.5178.8-73-5.2000111.4N107 S108 I109 W113 N114 S115N107-N111 WeakPolarHBondContact O-CB 3.29Å; N107-N111 PolarHBondContact O-N 2.95Å; N107-N111 PolarHBondContact O-OD1 3.43Å; S108-N111 PolarHBondContact O-N 2.9Å; I109-N111 VanDerWaalsContact C-N 3.3Å; I109-N111 PolarHBondContact O-N 3.33Å; N111-W113 VanDerWaalsContact C-N 3.35Å; N111-N114 PolarHBondContact O-N 2.85Å; N111-S115 VanDerWaalsContact O-CB 3.28Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.04Å; N111-S115 PolarHBondContact O-OG 3.25Å
112H95.6Very high88.6Confident18 Ų1865 Ų658%0.08332%0.32CS..Hα-helixtrans-62.3-42.7176.7-173.254.7000112.2F75 D80 S108 I109 S115 N116 L117F75-H112 AromaticContact CD1-CD2 3.79Å; F75-H112 HydrophobicContact CD2-CB 3.82Å; F75-H112 AromaticContact CD2-CD2 3.83Å; F75-H112 AromaticContact CD2-CE1 3.88Å; F75-H112 AromaticContact CD2-CG 3.45Å; F75-H112 VanDerWaalsContact CD2-CG 3.45Å; F75-H112 AromaticContact CD2-ND1 3.54Å; F75-H112 HydrophobicContact CE1-CB 4.38Å; F75-H112 HydrophobicContact CE2-CB 3.52Å; F75-H112 AromaticContact CE2-CG 3.72Å; F75-H112 HydrophobicContact CG-CB 4.38Å; F75-H112 AromaticContact CG-CD2 3.57Å; F75-H112 AromaticContact CG-CE1 3.84Å; F75-H112 AromaticContact CG-CG 3.72Å; F75-H112 AromaticContact CG-ND1 3.93Å; F75-H112 AromaticContact CG-NE2 3.65Å; F75-H112 HydrophobicContact CZ-CB 3.83Å; D80-H112 IonicContact OD1-CD2 2.82Å; D80-H112 IonicContact OD1-CE1 3.31Å; D80-H112 IonicContact OD1-NE2 2.88Å; D80-H112 PolarHBondContact OD1-NE2 2.92Å; D80-H112 IonicContact OD2-NE2 2.8Å; S108-H112 WeakPolarHBondContact O-CB 3.3Å; S108-H112 PolarHBondContact O-N 3.42Å; I109-H112 PolarHBondContact O-N 3.44Å; H112-S115 PolarHBondContact O-N 3.46Å; H112-N116 PolarHBondContact CE1-ND2 3.49Å; H112-N116 PolarHBondContact ND1-ND2 3.31Å; H112-N116 WeakPolarHBondContact O-CB 3.46Å; H112-N116 PolarHBondContact O-N 3.39Å; H112-L117 PolarHBondContact O-N 3.48Å
113W95.8Very high87.5Confident16 Ų1669.1 Ų69.16%0.06132%0.321CS..Iπ-helixtrans-56.9-53173.6176.3-95.7000111.9I83 L84 H87 W94 I109 K110 N111 S115 L117 R118I83-W113 HydrophobicContact CG2-CE3 4.15Å; L84-W113 HydrophobicContact CD2-CZ3 4.04Å; H87-W113 HydrophobicContact CB-CE3 4.35Å; H87-W113 HydrophobicContact CB-CH2 4.02Å; H87-W113 HydrophobicContact CB-CZ3 3.73Å; H87-W113 AromaticContact CD2-CH2 3.89Å; H87-W113 AromaticContact CD2-CZ2 3.9Å; H87-W113 AromaticContact CE1-CE2 3.99Å; H87-W113 AromaticContact CE1-CH2 3.48Å; H87-W113 VanDerWaalsContact CE1-CH2 3.48Å; H87-W113 WeakPolarHBondContact CE1-CH2 3.31Å; H87-W113 AromaticContact CE1-CZ2 3.27Å; H87-W113 WeakPolarHBondContact CE1-CZ2 3.15Å; H87-W113 AromaticContact CG-CH2 3.38Å; H87-W113 AromaticContact CG-CZ2 3.84Å; H87-W113 AromaticContact CG-CZ3 3.52Å; H87-W113 AromaticContact ND1-CH2 3.09Å; H87-W113 WeakPolarHBondContact ND1-CH2 3.36Å; H87-W113 AromaticContact ND1-CZ2 3.45Å; H87-W113 WeakPolarHBondContact ND1-CZ2 3.41Å; H87-W113 AromaticContact ND1-CZ3 3.75Å; H87-W113 AromaticContact NE2-CE2 3.78Å; H87-W113 AromaticContact NE2-CH2 3.92Å; H87-W113 AromaticContact NE2-CZ2 3.54Å; W94-W113 HydrophobicContact CH2-CB 3.73Å; W94-W113 AromaticContact CH2-CD1 3.58Å; W94-W113 AromaticContact CH2-CD2 3.91Å; W94-W113 HydrophobicContact CH2-CD2 3.91Å; W94-W113 AromaticContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CH2-CG 3.45Å; W94-W113 VanDerWaalsContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CZ2-CG 4.32Å; W94-W113 HydrophobicContact CZ3-CB 4.01Å; W94-W113 HydrophobicContact CZ3-CD2 4.46Å; W94-W113 HydrophobicContact CZ3-CG 4.11Å; I109-W113 WeakPolarHBondContact O-CB 3.48Å; I109-W113 PolarHBondContact O-N 2.82Å; K110-W113 PolarHBondContact O-N 3.34Å; N111-W113 VanDerWaalsContact C-N 3.35Å; W113-S115 VanDerWaalsContact C-N 3.33Å; W113-S115 PolarHBondContact O-N 2.83Å; W113-L117 HydrophobicContact CD2-CB 4.45Å; W113-L117 HydrophobicContact CE3-CB 3.9Å; W113-L117 HydrophobicContact CE3-CD1 3.93Å; W113-L117 HydrophobicContact CZ3-CB 4.34Å; W113-L117 HydrophobicContact CZ3-CD1 4.5Å; W113-L117 PolarHBondContact O-N 2.85Å; W113-R118 WeakPolarHBondContact O-CG 3.22Å; W113-R118 PolarHBondContact O-N 3.35Å
114N94Very high86.4Confident79 Ų7970.9 Ų70.942%0.42233%0.333SS..Iπ-helixtrans-66.1-34.4-176.7-75.3-31.6000113K110 N111K110-N114 WeakPolarHBondContact O-CB 3.3Å; K110-N114 PolarHBondContact O-N 3.34Å; K110-N114 PolarHBondContact O-ND2 3.03Å; N111-N114 PolarHBondContact O-N 2.85Å
115S90.2Very high85.3Confident56 Ų5673 Ų7339%0.39235%0.354SS..Iπ-helixtrans-87.6-42.9-174.9-52.50000112.5N111 H112 W113 R119N111-S115 VanDerWaalsContact O-CB 3.28Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.04Å; N111-S115 PolarHBondContact O-OG 3.25Å; H112-S115 PolarHBondContact O-N 3.46Å; W113-S115 VanDerWaalsContact C-N 3.33Å; W113-S115 PolarHBondContact O-N 2.83Å; S115-R119 VanDerWaalsContact O-CZ 3.25Å; S115-R119 PolarHBondContact O-NE 3.1Å; S115-R119 PolarHBondContact O-NH2 3.38Å
116N87.7Confident84.2Confident74 Ų7475 Ų7540%0.39637%0.372SS..Iπ-helixtrans-112-59.5-168.8-64.3-62.1000112.3H112 R118 R119 C120H112-N116 PolarHBondContact CE1-ND2 3.49Å; H112-N116 PolarHBondContact ND1-ND2 3.31Å; H112-N116 WeakPolarHBondContact O-CB 3.46Å; H112-N116 PolarHBondContact O-N 3.39Å; N116-R118 PolarHBondContact O-N 2.93Å; N116-R119 PolarHBondContact O-N 3.47Å; N116-C120 PolarHBondContact O-N 3.38Å; N116-C120 VanDerWaalsContact O-N 3.07Å; N116-C120 PolarHBondContact O-SG 3.04Å
117L79.3Confident83.2Confident3 Ų374.1 Ų74.12%0.01637%0.374CS..Iπ-helixtrans-70-31.1-167-61.7175.6000113.6D80 I83 L84 H112 W113 R119 C120 R121D80-L117 HydrophobicContact CB-CD2 4.13Å; I83-L117 HydrophobicContact CB-CD1 3.95Å; I83-L117 HydrophobicContact CG2-CD1 3.49Å; I83-L117 VanDerWaalsContact CG2-CD1 3.49Å; L84-L117 HydrophobicContact CD1-CD2 4.49Å; L84-L117 HydrophobicContact CD2-CB 4.5Å; L84-L117 HydrophobicContact CG-CD1 4.46Å; L84-L117 HydrophobicContact CG-CD2 4.44Å; H112-L117 PolarHBondContact O-N 3.48Å; W113-L117 HydrophobicContact CD2-CB 4.45Å; W113-L117 HydrophobicContact CE3-CB 3.9Å; W113-L117 HydrophobicContact CE3-CD1 3.93Å; W113-L117 HydrophobicContact CZ3-CB 4.34Å; W113-L117 HydrophobicContact CZ3-CD1 4.5Å; W113-L117 PolarHBondContact O-N 2.85Å; L117-R119 PolarHBondContact O-N 2.96Å; L117-C120 PolarHBondContact O-N 2.92Å; L117-R121 PolarHBondContact O-N 3.23Å
118R74.7Confident82.2Confident143 Ų14375.1 Ų75.154%0.5439%0.389SS..Hα-helixtrans-61.2-29.2172.6-73-177.379.6-165.13.8113W113 N116 R122W113-R118 WeakPolarHBondContact O-CG 3.22Å; W113-R118 PolarHBondContact O-N 3.35Å; N116-R118 PolarHBondContact O-N 2.93Å; R118-R122 PolarHBondContact O-NE 3.44Å
119R71.1Confident81.4Confident147 Ų14779.2 Ų79.256%0.55541%0.413SS*.Hα-helixtrans-82.1-40.9174.4-80.4-176.5-88.2174.8-8.6110.9S115 N116 L117 R121 R122 R123S115-R119 VanDerWaalsContact O-CZ 3.25Å; S115-R119 PolarHBondContact O-NE 3.1Å; S115-R119 PolarHBondContact O-NH2 3.38Å; N116-R119 PolarHBondContact O-N 3.47Å; L117-R119 PolarHBondContact O-N 2.96Å; R119-R121 PolarHBondContact O-N 2.84Å; R119-R122 PolarHBondContact O-N 3.19Å; R119-R123 WeakPolarHBondContact O-CG 3.36Å; R119-R123 PolarHBondContact O-N 3.43Å
120C65.3Low80.5Confident69 Ų6983.3 Ų83.347%0.46645%0.446SS..Hα-helixtrans-62.3-41.2177.5-62.60000112.4N116 L117 R122 R123 A124N116-C120 PolarHBondContact O-N 3.38Å; N116-C120 VanDerWaalsContact O-N 3.07Å; N116-C120 PolarHBondContact O-SG 3.04Å; L117-C120 PolarHBondContact O-N 2.92Å; C120-R122 VanDerWaalsContact C-N 3.34Å; C120-R122 PolarHBondContact O-N 3.01Å; C120-R123 PolarHBondContact O-N 3.31Å; C120-A124 VanDerWaalsContact O-CB 3.23Å; C120-A124 WeakPolarHBondContact O-CB 3.44Å; C120-A124 PolarHBondContact O-N 3.16Å
121R66.9Low79.4Confident146 Ų14684.8 Ų84.855%0.55146%0.464SS*.Hα-helixtrans-60.2-42.2174-84.1-174.268.5-165.32.1112.6L84 L117 R119 A125L84-R121 HydrophobicContact CD2-CG 4.04Å; L117-R121 PolarHBondContact O-N 3.23Å; R119-R121 PolarHBondContact O-N 2.84Å; R121-A125 VanDerWaalsContact O-CB 3.22Å; R121-A125 WeakPolarHBondContact O-CB 3.3Å; R121-A125 PolarHBondContact O-N 3.07Å
122R69.3Low78.2Confident171 Ų17190.7 Ų90.765%0.64548%0.481SS*.Hα-helixtrans-66.8-41.6177.8-74.6-172.8-73.4168.9-1.7111.9R118 R119 C120 A126R118-R122 PolarHBondContact O-NE 3.44Å; R119-R122 PolarHBondContact O-N 3.19Å; C120-R122 VanDerWaalsContact C-N 3.34Å; C120-R122 PolarHBondContact O-N 3.01Å; R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 3.4Å
123R72.3Confident76.8Confident195 Ų19595 Ų9574%0.73651%0.51SS*.Hα-helixtrans-68.6-43.1177.7-67.9178.188162.67111.9R119 C120 A126 A127R119-R123 WeakPolarHBondContact O-CG 3.36Å; R119-R123 PolarHBondContact O-N 3.43Å; C120-R123 PolarHBondContact O-N 3.31Å; R123-A126 PolarHBondContact O-N 2.92Å; R123-A127 VanDerWaalsContact O-CB 3.3Å; R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.43Å
124A72.4Confident75.1Confident62 Ų62103 Ų10351%0.51255%0.549SS..Hα-helixtrans-64.3-42.3176.400000111.5C120 A127 A128C120-A124 VanDerWaalsContact O-CB 3.23Å; C120-A124 WeakPolarHBondContact O-CB 3.44Å; C120-A124 PolarHBondContact O-N 3.16Å; A124-A127 PolarHBondContact O-N 2.84Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 2.79Å
125A74.5Confident73.5Confident57 Ų57105.7 Ų105.747%0.47157%0.568SS.*Hα-helixtrans-62.8-45174.300000111.8R121 A128 V129R121-A125 VanDerWaalsContact O-CB 3.22Å; R121-A125 WeakPolarHBondContact O-CB 3.3Å; R121-A125 PolarHBondContact O-N 3.07Å; A125-A128 PolarHBondContact O-N 3.3Å; A125-V129 WeakPolarHBondContact O-CG2 3.38Å; A125-V129 PolarHBondContact O-N 3.22Å
126A75.2Confident72Confident61 Ų61111.4 Ų111.450%0.50459%0.588SS.*Hα-helixtrans-63.1-41.9176.400000112.3R122 R123 V129 A130R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 3.4Å; R123-A126 PolarHBondContact O-N 2.92Å; A126-V129 PolarHBondContact O-N 2.92Å; A126-A130 WeakPolarHBondContact O-CB 3.13Å; A126-A130 PolarHBondContact O-N 2.82Å
127A77Confident70.3Confident51 Ų51115 Ų11542%0.42161%0.607SS.*Hα-helixtrans-65.5-39.3176.600000112.1R123 A124 V129 A130 S131R123-A127 VanDerWaalsContact O-CB 3.3Å; R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.43Å; A124-A127 PolarHBondContact O-N 2.84Å; A127-V129 VanDerWaalsContact C-N 3.34Å; A127-A130 PolarHBondContact O-N 3.36Å; A127-S131 WeakPolarHBondContact O-CB 3.45Å; A127-S131 PolarHBondContact O-N 3.27Å; A127-S131 PolarHBondContact O-OG 3.27Å
128A77.3Confident69.2Low64 Ų64119.6 Ų119.653%0.52964%0.64SS.*Hα-helixtrans-64.9-37.8175.600000112.1A124 A125 R132A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 2.79Å; A125-A128 PolarHBondContact O-N 3.3Å; A128-R132 PolarHBondContact O-N 2.92Å
129V79.7Confident68.3Low112 Ų112120.5 Ų120.568%0.67966%0.655SS**Hα-helixtrans-67-41.9174173.90000111.1A125 A126 A127 R132A125-V129 WeakPolarHBondContact O-CG2 3.38Å; A125-V129 PolarHBondContact O-N 3.22Å; A126-V129 PolarHBondContact O-N 2.92Å; A127-V129 VanDerWaalsContact C-N 3.34Å; V129-R132 WeakPolarHBondContact O-CB 3.09Å; V129-R132 PolarHBondContact O-N 3.21Å
130A78.3Confident67.4Low85 Ų85120.7 Ų120.770%0.70267%0.668SS**Hα-helixtrans-70.5-30.917900000113.6A126 A127 R132A126-A130 WeakPolarHBondContact O-CB 3.13Å; A126-A130 PolarHBondContact O-N 2.82Å; A127-A130 PolarHBondContact O-N 3.36Å; A130-R132 VanDerWaalsContact C-N 3.27Å; A130-R132 PolarHBondContact O-N 3.46Å
131S73.7Confident67Low96 Ų96121.4 Ų121.467%0.67168%0.678SS**THydrogen-bonded Turntrans-83.7-2.9-180-49.70000113A127 P133A127-S131 WeakPolarHBondContact O-CB 3.45Å; A127-S131 PolarHBondContact O-N 3.27Å; A127-S131 PolarHBondContact O-OG 3.27Å; S131-P133 VanDerWaalsContact O-CD 3.31Å; S131-P133 WeakPolarHBondContact O-CD 3.31Å
132R71.4Confident66.2Low200 Ų200120.4 Ų120.476%0.75569%0.691SS**SBendtrans-71.6116.2176.5-172.9168.5165.5-160.7-5.4107.8A128 V129 A130 Q134A128-R132 PolarHBondContact O-N 2.92Å; V129-R132 WeakPolarHBondContact O-CB 3.09Å; V129-R132 PolarHBondContact O-N 3.21Å; A130-R132 VanDerWaalsContact C-N 3.27Å; A130-R132 PolarHBondContact O-N 3.46Å; R132-Q134 PolarHBondContact O-N 2.79Å; R132-Q134 VanDerWaalsContact O-N 3.12Å
133P66.4Low64.8Low107 Ų107117.5 Ų117.570%0.69570%0.703SS**  trans-58.3122.7179.221.1-29.4000108.7S131 V135S131-P133 VanDerWaalsContact O-CD 3.31Å; S131-P133 WeakPolarHBondContact O-CD 3.31Å; P133-V135 PolarHBondContact O-N 2.89Å
134Q60.5Low63.7Low185 Ų185112.7 Ų112.786%0.86471%0.705SS**  trans-62.4103.2166-71.2-112.6-7700105.9R132 Q136R132-Q134 PolarHBondContact O-N 2.79Å; R132-Q134 VanDerWaalsContact O-N 3.12Å; Q134-Q136 VanDerWaalsContact C-N 3.3Å; Q134-Q136 PolarHBondContact O-N 3.2Å
135V60.6Low62.5Low135 Ų135114 Ų11482%0.81872%0.716SS**  trans-61102.2164.8-125.10000104.9P133 D137P133-V135 PolarHBondContact O-N 2.89Å; V135-D137 PolarHBondContact O-N 3.27Å
136Q57.5Low61.3Low177 Ų177116.4 Ų116.483%0.82774%0.736SS**  trans-69.7105163.8-75.7176.2-62.500105Q134 S138Q134-Q136 VanDerWaalsContact C-N 3.3Å; Q134-Q136 PolarHBondContact O-N 3.2Å; Q136-S138 PolarHBondContact O-N 3.01Å
137D53.7Low60.2Low148 Ų148117 Ų11779%0.79174%0.74SS**  trans-62.194.3159.9-84-40.8000106.4V135 D139V135-D137 PolarHBondContact O-N 3.27Å; D137-D139 PolarHBondContact O-N 3.36Å
138S56.2Low59.2Low101 Ų101123 Ų12371%0.70676%0.759SS**  trans-78.496.2163.443.50000107.1Q136 D140Q136-S138 PolarHBondContact O-N 3.01Å; S138-D140 PolarHBondContact O-N 3.46Å
139D55.3Low58Low161 Ų161126.9 Ų126.986%0.86177%0.771SS**  trans-61.884.6161.8-77-59.1000109.1D137D137-D139 PolarHBondContact O-N 3.36Å
140D52.3Low56.4Low152 Ų152128.6 Ų128.681%0.81378%0.777SS**  trans-98.882.2163.9-123.3-58.8000107.6S138S138-D140 PolarHBondContact O-N 3.46Å
141A55.8Low55.2Low83 Ų83132.7 Ų132.769%0.68678%0.781SS**  trans-76.8126.4168.600000108.9A143A141-A143 PolarHBondContact O-N 2.8Å
142P51.2Low54.2Low126 Ų126133 Ų13382%0.81878%0.781SS**  trans-76.5113.2179.929.2-31.1000110.3A144P142-A144 PolarHBondContact O-N 3.33Å
143A40.1Very low53Low110 Ų110127.9 Ų127.991%0.90978%0.782SS**  trans-76.6100.516700000110.3A141A141-A143 PolarHBondContact O-N 2.8Å
144A48.3Very low52.1Low93 Ų93126.9 Ų126.977%0.76978%0.783SS**  trans-150.7143.9159.100000107P142P142-A144 PolarHBondContact O-N 3.33Å
145A48Very low51.7Low91 Ų91124.1 Ų124.175%0.75278%0.778SS**  cis-178.8141.8-1500000102.8
146A48.3Very low51.1Low107 Ų107124.3 Ų124.388%0.88478%0.779SS**  trans69.8144.3168.700000117.1
147A51.6Low50.7Low72 Ų72120.1 Ų120.160%0.59578%0.775SS**  cis-174.7159.2-12.400000107.4
148H57.5Low50.6Low177 Ų177118.3 Ų118.382%0.81978%0.78SS**  trans80.7108.3163.7-57.3-67000118.3
149D51.2Low49.9Very low146 Ų146117.2 Ų117.278%0.78179%0.785SS**  85105.583.7-140.3-109.9000109
150D47.2Very low49.2Very low148 Ų148112.8 Ų112.879%0.79178%0.777SS**  -173.1148.387.8-157.3-80.4000109.1
151Q52Low49Very low172 Ų172114.4 Ų114.480%0.80479%0.785SS**  trans-128.6-174.9-166.8-136.3-145.339.200110.8
152P53.6Low48.2Very low101 Ų101114.3 Ų114.366%0.65679%0.792SS**  -130.4-175.8-102.543.1-24.7000114.8
153A45.8Very low47.6Very low94 Ų94112.4 Ų112.478%0.77780%0.795SS**  trans-155.5108153.900000109.1
154A48.2Very low47.6Very low86 Ų86110.9 Ų110.971%0.71179%0.791SS**  64.4114.793.100000113.7
155V50.5Low47.3Very low127 Ų127113.5 Ų113.577%0.7779%0.792SS**  168.4136.897.7-78.10000112.7
156V49.6Very low47.1Very low139 Ų139113.7 Ų113.784%0.84279%0.788SS**  trans57.1151.8144.7-57.10000121.2
157A48.2Very low47.4Very low89 Ų89113.8 Ų113.874%0.73678%0.781SS**  cis-179.7155.9-25.300000106.6
158A52.6Low47Very low110 Ų110116.4 Ų116.491%0.90980%0.795SS**  trans69.9136.7159.900000118
159G40.5Very low46.2Very low77 Ų77111.9 Ų111.979%0.79480%0.797SS**  cis166.5167.53.700000110.4
160G41.3Very low46Very low69 Ų69113 Ų11371%0.71180%0.802SS**  trans80.6105.5161.400000117.1
161L47.6Very low46.7Very low185 Ų185111.1 Ų111.197%0.96980%0.798SS**  76.2126.366.3-66.3171.3000115.6
162G40Very low46.6Very low82 Ų82108.9 Ų108.985%0.84580%0.798SS**  trans105.2120.7161.300000113.4
163G38.3Very low45.7Very low85 Ų85108.9 Ų108.988%0.87681%0.807SS**  cis113.4112.921.200000109.9
164G39.3Very low45.7Very low79 Ų79109 Ų10981%0.81481%0.808SS**  trans101.9106.2146.500000120.2
165N42.2Very low45.3Very low148 Ų148110.1 Ų110.179%0.79182%0.817SS**  84.6115.1123.2-150.455.8000122.1
166S44Very low44.7Very low95 Ų95107.7 Ų107.766%0.66482%0.818SS**  trans29.7119.4130.8-43.60000120.5
167S53.9Low44.3Very low108 Ų108105.9 Ų105.976%0.75582%0.817SS**  178.9126.1123.853.30000112.6
168S42.8Very low43.7Very low127 Ų127106.4 Ų106.489%0.88882%0.822SS**  54.4113.4129.9-41.30000120.1
169G40.9Very low43.1Very low83 Ų83108 Ų10886%0.85682%0.82SS**  trans-174.886.716300000113.9
170L48.6Very low43.3Very low168 Ų168109.1 Ų109.188%0.8882%0.822SS**  trans-83173.5157.9-81.3159.7000109.1
171P61.4Low43.1Very low109 Ų109114 Ų11471%0.70883%0.827SS**  -118.7-157.8-73.940.2-19.6000108.3
172P49.2Very low42.9Very low125 Ų125109.9 Ų109.981%0.81282%0.819SS**  -152.8-175.563.437.1-11.9000116
173A35.3Very low43.5Very low102 Ų102113.6 Ų113.684%0.84381%0.814SS**  trans-54.8147-176.700000117.7
174A44.5Very low44.1Very low96 Ų96113.5 Ų113.579%0.79380%0.798SS**  trans-167122.4139.800000111.9
175A41.5Very low44.6Very low110 Ų110115.3 Ų115.391%0.90980%0.799SS**  trans39.1127.6138.900000121.7
176G37.5Very low44.6Very low76 Ų76113 Ų11378%0.78479%0.786SS**  trans146115.7136.600000117.3
177A41Very low44.9Very low100 Ų100112.9 Ų112.983%0.82679%0.785SS**  trans81.298.4145.800000120
178A34.2Very low44.4Very low100 Ų100114.4 Ų114.483%0.82678%0.784SS**  trans-21.5131.2148.200000116.6
179T41.4Very low44.4Very low143 Ų143113.6 Ų113.688%0.87778%0.778SS**  trans-145.3137.8145.1220000109.3
180A44.6Very low44.6Very low102 Ų102115.7 Ų115.784%0.84377%0.769SS**  trans-72.5142.3-161.800000114.2
181E36.3Very low44.2Very low172 Ų172111.2 Ų111.280%0.80476%0.764SS**  trans-56.3133.4170.7-55-89.211400111.9
182A43.2Very low43.8Very low97 Ų97113.4 Ų113.480%0.80277%0.768SS**  trans-135.882165.800000109
183E52.8Low43.9Very low161 Ų161113.3 Ų113.375%0.75277%0.768SS**  trans-75.1123.8172-72.9-84106.400109.9S185E183-S185 PolarHBondContact O-N 3.26Å; E183-S185 VanDerWaalsContact O-N 3.14Å
184P51.8Low44.6Very low83 Ų83116.2 Ų116.254%0.53977%0.768SS.*  trans-78.5102.3173.330.5-30000109.6L186P184-L186 PolarHBondContact O-N 2.83Å
185S49.4Very low45.4Very low117 Ų117117.2 Ų117.282%0.81877%0.767SS**  trans-64.8110.6170.2-66.20000110.4E183E183-S185 PolarHBondContact O-N 3.26Å; E183-S185 VanDerWaalsContact O-N 3.14Å
186L41.8Very low45.8Very low99 Ų99116.7 Ų116.752%0.51876%0.762SS.*  trans-10296.3167.9-58.1174000109.2P184P184-L186 PolarHBondContact O-N 2.83Å
187S50.7Low46.4Very low92 Ų92117.5 Ų117.564%0.64376%0.762SS**  trans-102.7106.2168.1-176.20000108.3
188L43.1Very low47.1Very low140 Ų140122 Ų12273%0.73377%0.766SS**  trans-99.9103.3166.4-79.3169.9000108.6
189S42.8Very low47.8Very low110 Ų110123.3 Ų123.377%0.76977%0.766SS**  trans-96.7110.1165.5-67.10000107.8
190L45.7Very low48.4Very low127 Ų127121 Ų12167%0.66576%0.761SS**  trans-102.999.6166.1-86.2161.1000107.7M235L190-M235 HydrophobicContact CD1-CE 3.68Å
191G40.5Very low48.7Very low75 Ų75125.1 Ų125.177%0.77376%0.763SS**  trans-85.3120.516200000108.4
192L53.5Low49.3Very low154 Ų154121.2 Ų121.281%0.80676%0.76SS**  trans-104.9136.4166.1-113.375.3000109
193P50.1Low49.6Very low123 Ų123121.5 Ų121.580%0.79976%0.763SS**PPolyproline II helixtrans-80.8134.1-172.9-1.420.5000111.3
194L50.1Low49.6Very low163 Ų163117.6 Ų117.685%0.85376%0.758SS**PPolyproline II helixtrans-82.9128.5168.6-174.571.5000109
195P61.8Low49.7Very low117 Ų117121 Ų12176%0.7677%0.771SS**PPolyproline II helixtrans-72.7136.8175.727.8-32.2000111.6
196A50.4Low49.7Very low99 Ų99121.9 Ų121.982%0.81877%0.767SS**PPolyproline II helixtrans-83.5133.9-179.200000112.2
197A48.5Very low49.9Very low93 Ų93124.5 Ų124.577%0.76978%0.776SS**  trans20.2126.8146.600000120.4
198E56.5Low49.7Very low196 Ų196124.6 Ų124.692%0.91678%0.777SS**  trans-115.1134139.8-69.8-142.9114.300109.3
199P49.5Very low49.9Very low126 Ų126129.5 Ų129.582%0.81879%0.786SS**  trans-104.3133.3163.534.3-22.9000110.2
200A54.2Low50Low95 Ų95131.2 Ų131.279%0.78579%0.786SS**  trans-138.9114.7168.900000110.7
201E49.8Very low50Low188 Ų188129.9 Ų129.988%0.87979%0.788SS**  trans34.6116.4141.8-55.8-150.710700119.2
202A49.9Very low50.3Low90 Ų90135.1 Ų135.174%0.74479%0.792SS**  76.7124.570.800000115
203A49.3Very low49.8Very low104 Ų104131.1 Ų131.186%0.8679%0.788SS**  trans69.8151.3166.400000116.9
204A52.2Low49.4Very low78 Ų78134.7 Ų134.765%0.64579%0.794SS**  cis-174.1151-23.800000104
205D53Low49.1Very low155 Ų155131.5 Ų131.583%0.82979%0.792SS**  trans63.3116.6154.1-59.6-48.4000121.5
206D50Low48.3Very low135 Ų135131.3 Ų131.372%0.72279%0.793SS**  89.4135.9119.5-153.741.3000122.5
207E46.9Very low48.3Very low154 Ų154132.7 Ų132.772%0.7279%0.794SS**  trans64.6111.2153-122.2146.575.600124.2
208S45.5Very low48.1Very low94 Ų94135.2 Ų135.266%0.65779%0.794SS**  57.8122.9127-63.90000122.4
209R47.7Very low47.4Very low244 Ų244132.8 Ų132.892%0.92179%0.786SS**  trans62.3113.8141.6-65.1174.2172.9172.5-1.2116.9
210N45.4Very low47.5Very low145 Ų145135 Ų13578%0.77579%0.785SS**  -174.3143.1109.7-165.124.8000111.2
211S45.7Very low47.6Very low99 Ų99138 Ų13869%0.69278%0.783SS**  trans-88.1122.5179.7-17.30000109.8
212Q46.6Very low47.8Very low185 Ų185131.7 Ų131.786%0.86477%0.768SS**  trans-170.3127.7146.1-114.8136.3-39.200110.3
213G43.6Very low48.7Very low71 Ų71133.4 Ų133.473%0.73276%0.761SS**  trans-76.4166.3-169.600000114.8
214Q41.7Very low49.9Very low197 Ų197130.8 Ų130.892%0.92174%0.744SS**  trans-166.9123.8147.2-109.7169-19.800110.6
215A43.1Very low51Low97 Ų97131.9 Ų131.980%0.80274%0.739SS**  trans51.3111.7146.900000121.1
216S45.7Very low52.3Low113 Ų113127.3 Ų127.379%0.7972%0.723SS**  trans-70141155.2-490000111.8
217P50.4Low53.9Low128 Ų128127.3 Ų127.383%0.83172%0.719SS**  trans-96.6113.2150.623.3-9.5000109.8
218L43.6Very low55.4Low146 Ų146125.1 Ų125.176%0.76471%0.711SS**  trans-73.5127.6168.5-85.1164.2000110.2
219L41.1Very low57.2Low144 Ų144125.2 Ų125.275%0.75470%0.704SS**  trans63.480.7140.8-52175.6000118.5
220E53.1Low59Low172 Ų172116.3 Ų116.380%0.80468%0.683SS**  trans-106.223.1158.8-79-110137.600112.2
221E54.6Low61Low159 Ų159113.3 Ų113.374%0.74367%0.669SS**  trans-88.62.2-179.6-64-157.3138.700114.2N225E221-N225 PolarHBondContact O-ND2 3.48Å; E221-N225 VanDerWaalsContact O-ND2 3.15Å
222G55.3Low62.8Low55 Ų55111.8 Ų111.857%0.56766%0.656SS**Hα-helixtrans-79.2-39.4-176.800000114.7A226G222-A226 PolarHBondContact O-N 2.93Å
223E69.2Low64.8Low126 Ų126111.7 Ų111.759%0.58965%0.647SS**Hα-helixtrans-76.9-35.5-171.6-79.4173.7131.900113.3N225 A226 Q227E223-N225 VanDerWaalsContact C-N 3.31Å; E223-N225 PolarHBondContact O-N 3.45Å; E223-A226 PolarHBondContact O-N 2.9Å; E223-Q227 WeakPolarHBondContact O-CG 3.18Å; E223-Q227 PolarHBondContact O-N 3.36Å
224G73.7Confident66.9Low49 Ų49116.2 Ų116.251%0.50564%0.642SS.*Hα-helixtrans-60.3-41.5175.900000112.3L228G224-L228 WeakPolarHBondContact O-CB 3.24Å; G224-L228 PolarHBondContact O-N 2.69Å
225N76.1Confident69Low102 Ų102110.5 Ų110.555%0.54562%0.617SS.*Hα-helixtrans-67.9-37.9176.4-74.2-37.7000112.3E221 E223 L229E221-N225 PolarHBondContact O-ND2 3.48Å; E221-N225 VanDerWaalsContact O-ND2 3.15Å; E223-N225 VanDerWaalsContact C-N 3.31Å; E223-N225 PolarHBondContact O-N 3.45Å; N225-L229 WeakPolarHBondContact O-CB 3.31Å; N225-L229 WeakPolarHBondContact O-CG 3.46Å; N225-L229 PolarHBondContact O-N 2.94Å
226A79.1Confident71.2Confident59 Ų59110 Ų11049%0.48860%0.603SS.*Hα-helixtrans-66.7-43.4177.300000112.1G222 E223 L229 A230G222-A226 PolarHBondContact O-N 2.93Å; E223-A226 PolarHBondContact O-N 2.9Å; A226-L229 PolarHBondContact O-N 3.19Å; A226-A230 WeakPolarHBondContact O-CB 3.28Å; A226-A230 PolarHBondContact O-N 2.92Å
227Q83.3Confident73.2Confident135 Ų135113.5 Ų113.563%0.63160%0.599SS**Hα-helixtrans-64.5-44.2175.6-69.8-178.332.700111.4E223 L229 A230 V231E223-Q227 WeakPolarHBondContact O-CG 3.18Å; E223-Q227 PolarHBondContact O-N 3.36Å; Q227-L229 VanDerWaalsContact C-N 3.35Å; Q227-L229 PolarHBondContact O-N 3.44Å; Q227-A230 WeakPolarHBondContact O-CB 3.45Å; Q227-A230 PolarHBondContact O-N 3.49Å; Q227-A230 VanDerWaalsContact O-N 3.15Å; Q227-V231 WeakPolarHBondContact O-CG2 3.41Å; Q227-V231 PolarHBondContact O-N 3.43Å
228L79.3Confident74.9Confident107 Ų107112 Ų11256%0.5658%0.581SS**Hα-helixtrans-59.5-45175.6-178.562.3000111.6G224 A230 V231 V232G224-L228 WeakPolarHBondContact O-CB 3.24Å; G224-L228 PolarHBondContact O-N 2.69Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 3.31Å; L228-V231 PolarHBondContact O-N 2.96Å; L228-V232 HydrophobicContact CD1-CG2 4.45Å; L228-V232 VanDerWaalsContact O-CG2 3.29Å; L228-V232 WeakPolarHBondContact O-CG2 3.48Å; L228-V232 PolarHBondContact O-N 2.95Å
229L82.7Confident77Confident97 Ų97107.5 Ų107.551%0.50856%0.556SS.*Hα-helixtrans-62.6-37.4175.3-79.8165.3000112.5N225 A226 Q227 V232 R233N225-L229 WeakPolarHBondContact O-CB 3.31Å; N225-L229 WeakPolarHBondContact O-CG 3.46Å; N225-L229 PolarHBondContact O-N 2.94Å; A226-L229 PolarHBondContact O-N 3.19Å; Q227-L229 VanDerWaalsContact C-N 3.35Å; Q227-L229 PolarHBondContact O-N 3.44Å; L229-V232 PolarHBondContact O-N 3.41Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 VanDerWaalsContact O-CG 3.22Å; L229-R233 WeakPolarHBondContact O-CG 3.32Å; L229-R233 PolarHBondContact O-N 2.86Å
230A86.2Confident79.3Confident57 Ų57104.3 Ų104.347%0.47154%0.543SS..Hα-helixtrans-64.9-43175.800000111.8A226 Q227 L228 R233 R234A226-A230 WeakPolarHBondContact O-CB 3.28Å; A226-A230 PolarHBondContact O-N 2.92Å; Q227-A230 WeakPolarHBondContact O-CB 3.45Å; Q227-A230 PolarHBondContact O-N 3.49Å; Q227-A230 VanDerWaalsContact O-N 3.15Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 3.31Å; A230-R233 PolarHBondContact O-N 3.4Å; A230-R234 PolarHBondContact O-N 3.34Å
231V86.3Confident80.9Confident81 Ų81102.7 Ų102.749%0.49154%0.535SS..Hα-helixtrans-63.1-47.8174.7174.40000110.7Q227 L228 R233 R234 M235Q227-V231 WeakPolarHBondContact O-CG2 3.41Å; Q227-V231 PolarHBondContact O-N 3.43Å; L228-V231 PolarHBondContact O-N 2.96Å; V231-R233 VanDerWaalsContact C-N 3.35Å; V231-R233 PolarHBondContact O-N 3.04Å; V231-R234 WeakPolarHBondContact O-CB 3.34Å; V231-R234 PolarHBondContact O-N 2.89Å; V231-R234 VanDerWaalsContact O-N 3.16Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.01Å; V231-M235 WeakPolarHBondContact O-CG 3.44Å; V231-M235 PolarHBondContact O-N 3.22Å
232V84.1Confident82.4Confident68 Ų6899 Ų9941%0.41251%0.514SS..Hα-helixtrans-60.3-43.2177.6171.80000111.3L228 L229 R234 M235 V236L228-V232 HydrophobicContact CD1-CG2 4.45Å; L228-V232 VanDerWaalsContact O-CG2 3.29Å; L228-V232 WeakPolarHBondContact O-CG2 3.48Å; L228-V232 PolarHBondContact O-N 2.95Å; L229-V232 PolarHBondContact O-N 3.41Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 2.93Å; V232-M235 PolarHBondContact O-N 3.33Å; V232-V236 HydrophobicContact CG1-CG2 4.38Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.22Å; V232-V236 PolarHBondContact O-N 3.4Å
233R87.7Confident83.7Confident182 Ų182100.9 Ų100.969%0.68751%0.509SS*.Hα-helixtrans-61.1-40.2175.9-77.2171.9178.4177.71112.2L229 A230 V231 R237L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 VanDerWaalsContact O-CG 3.22Å; L229-R233 WeakPolarHBondContact O-CG 3.32Å; L229-R233 PolarHBondContact O-N 2.86Å; A230-R233 PolarHBondContact O-N 3.4Å; V231-R233 VanDerWaalsContact C-N 3.35Å; V231-R233 PolarHBondContact O-N 3.04Å; R233-R237 PolarHBondContact O-N 3.35Å; R233-R237 VanDerWaalsContact O-N 3.07Å
234R88.6Confident84.5Confident166 Ų16699 Ų9963%0.62651%0.506SS*.Hα-helixtrans-63.9-47.7175.5-178.7-179.8172.5178.9-0.2111.1A230 V231 V232 V236 R237 E238A230-R234 PolarHBondContact O-N 3.34Å; V231-R234 WeakPolarHBondContact O-CB 3.34Å; V231-R234 PolarHBondContact O-N 2.89Å; V231-R234 VanDerWaalsContact O-N 3.16Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 2.93Å; R234-V236 PolarHBondContact O-N 2.93Å; R234-R237 WeakPolarHBondContact O-CB 3.22Å; R234-R237 PolarHBondContact O-N 2.9Å; R234-E238 WeakPolarHBondContact CG-OE1 3.35Å; R234-E238 IonicContact CZ-OE1 3.45Å; R234-E238 IonicContact NE-OE1 2.84Å; R234-E238 PolarHBondContact NE-OE1 2.89Å; R234-E238 IonicContact NH2-OE1 3.43Å; R234-E238 PolarHBondContact NH2-OE1 3.32Å; R234-E238 WeakPolarHBondContact O-CG 3.31Å; R234-E238 PolarHBondContact O-N 3.43Å
235M86.3Confident85Confident77 Ų7798.7 Ų98.738%0.37950%0.502SS..Hα-helixtrans-60.9-43178.4-68.9174.970.600112.2L190 V231 V232 R237 E238 E239L190-M235 HydrophobicContact CD1-CE 3.68Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.01Å; V231-M235 WeakPolarHBondContact O-CG 3.44Å; V231-M235 PolarHBondContact O-N 3.22Å; V232-M235 PolarHBondContact O-N 3.33Å; M235-R237 VanDerWaalsContact C-N 3.34Å; M235-R237 PolarHBondContact O-N 3.46Å; M235-E238 PolarHBondContact O-N 3.01Å; M235-E239 WeakPolarHBondContact O-CB 3.33Å; M235-E239 PolarHBondContact O-N 3.46Å
236V88.7Confident85.3Confident87 Ų8797.4 Ų97.453%0.52749%0.493SS..Hα-helixtrans-62.6-42176.3171.90000110.9V232 R234 E239 V240V232-V236 HydrophobicContact CG1-CG2 4.38Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.22Å; V232-V236 PolarHBondContact O-N 3.4Å; R234-V236 PolarHBondContact O-N 2.93Å; V236-E239 PolarHBondContact O-N 2.89Å; V236-V240 HydrophobicContact CG1-CG2 4.29Å; V236-V240 WeakPolarHBondContact O-CB 3.42Å; V236-V240 WeakPolarHBondContact O-CG2 3.49Å; V236-V240 PolarHBondContact O-N 3.44Å
237R87Confident85.5Confident187 Ų18799.9 Ų99.971%0.70650%0.497SS*.Hα-helixtrans-61.3-47.6176.3-175.7-171.7-63.2-178.8-1111.4R233 R234 M235 V240 Q241R233-R237 PolarHBondContact O-N 3.35Å; R233-R237 VanDerWaalsContact O-N 3.07Å; R234-R237 WeakPolarHBondContact O-CB 3.22Å; R234-R237 PolarHBondContact O-N 2.9Å; M235-R237 VanDerWaalsContact C-N 3.34Å; M235-R237 PolarHBondContact O-N 3.46Å; R237-V240 PolarHBondContact O-N 2.98Å; R237-Q241 WeakPolarHBondContact O-CB 3.39Å; R237-Q241 PolarHBondContact O-N 3.48Å
238E86.9Confident85.6Confident95 Ų9595.9 Ų95.944%0.44449%0.488SS..Hα-helixtrans-63.1-42.1179.8-72.1173.3-176.200111.2R234 M235 Q241 R242R234-E238 WeakPolarHBondContact CG-OE1 3.35Å; R234-E238 IonicContact CZ-OE1 3.45Å; R234-E238 IonicContact NE-OE1 2.84Å; R234-E238 PolarHBondContact NE-OE1 2.89Å; R234-E238 IonicContact NH2-OE1 3.43Å; R234-E238 PolarHBondContact NH2-OE1 3.32Å; R234-E238 WeakPolarHBondContact O-CG 3.31Å; R234-E238 PolarHBondContact O-N 3.43Å; M235-E238 PolarHBondContact O-N 3.01Å; E238-Q241 PolarHBondContact O-N 3.34Å; E238-R242 WeakPolarHBondContact O-CB 3.39Å; E238-R242 PolarHBondContact O-N 3.28Å
239E87.1Confident85.8Confident52 Ų5299.5 Ų99.524%0.24350%0.495CS..Hα-helixtrans-68.8-41177.7-174.856.5-148.900112.2M235 V236 Q241 R242 Q243M235-E239 WeakPolarHBondContact O-CB 3.33Å; M235-E239 PolarHBondContact O-N 3.46Å; V236-E239 PolarHBondContact O-N 2.89Å; E239-Q241 VanDerWaalsContact C-N 3.3Å; E239-Q241 PolarHBondContact O-N 3.46Å; E239-R242 WeakPolarHBondContact O-CB 3.37Å; E239-R242 PolarHBondContact O-N 2.96Å; E239-R242 IonicContact OE1-CZ 3.96Å; E239-R242 IonicContact OE1-NE 3.46Å; E239-R242 PolarHBondContact OE1-NE 3.12Å; E239-R242 IonicContact OE1-NH2 3.52Å; E239-R242 IonicContact OE2-NE 3.32Å; E239-R242 PolarHBondContact OE2-NE 3.44Å; E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.2Å; E239-Q243 WeakPolarHBondContact OE1-CG 3.46Å; E239-Q243 PolarHBondContact OE1-NE2 3.01Å
240V90.3Very high85.9Confident78 Ų7898 Ų9847%0.47349%0.492SS..Hα-helixtrans-61.2-41.5173.7169.30000110.6V236 R237 Q243 T244V236-V240 HydrophobicContact CG1-CG2 4.29Å; V236-V240 WeakPolarHBondContact O-CB 3.42Å; V236-V240 WeakPolarHBondContact O-CG2 3.49Å; V236-V240 PolarHBondContact O-N 3.44Å; R237-V240 PolarHBondContact O-N 2.98Å; V240-Q243 PolarHBondContact O-N 2.69Å; V240-T244 VanDerWaalsContact O-CB 3.32Å; V240-T244 WeakPolarHBondContact O-CB 3.32Å; V240-T244 PolarHBondContact O-N 2.91Å; V240-T244 PolarHBondContact O-OG1 3.38Å
241Q85.7Confident85.9Confident137 Ų137101 Ų10164%0.6450%0.5SS*.Hα-helixtrans-64.7-40176.3-169.6166.77.800111.6R237 E238 E239 T244 G245R237-Q241 WeakPolarHBondContact O-CB 3.39Å; R237-Q241 PolarHBondContact O-N 3.48Å; E238-Q241 PolarHBondContact O-N 3.34Å; E239-Q241 VanDerWaalsContact C-N 3.3Å; E239-Q241 PolarHBondContact O-N 3.46Å; Q241-T244 PolarHBondContact O-N 2.9Å; Q241-G245 PolarHBondContact O-N 2.86Å
242R87.5Confident85.8Confident81 Ų81103.8 Ų103.831%0.30651%0.509SS..Hα-helixtrans-62.9-47.3175.9-154.7-168.977.562.425.8111.9E238 E239 G245 Q246E238-R242 WeakPolarHBondContact O-CB 3.39Å; E238-R242 PolarHBondContact O-N 3.28Å; E239-R242 WeakPolarHBondContact O-CB 3.37Å; E239-R242 PolarHBondContact O-N 2.96Å; E239-R242 IonicContact OE1-CZ 3.96Å; E239-R242 IonicContact OE1-NE 3.46Å; E239-R242 PolarHBondContact OE1-NE 3.12Å; E239-R242 IonicContact OE1-NH2 3.52Å; E239-R242 IonicContact OE2-NE 3.32Å; E239-R242 PolarHBondContact OE2-NE 3.44Å; R242-G245 PolarHBondContact O-N 2.96Å; R242-Q246 VanDerWaalsContact NH1-CD 3.3Å; R242-Q246 WeakPolarHBondContact O-CG 3.39Å; R242-Q246 PolarHBondContact O-N 3.14Å
243Q82.3Confident85.6Confident96 Ų96103 Ų10345%0.44951%0.51SS..Hα-helixtrans-65.9-40.9178-70.9-179.49.900111.9E239 V240 G245 Q246 L247E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.2Å; E239-Q243 WeakPolarHBondContact OE1-CG 3.46Å; E239-Q243 PolarHBondContact OE1-NE2 3.01Å; V240-Q243 PolarHBondContact O-N 2.69Å; Q243-G245 VanDerWaalsContact C-N 3.32Å; Q243-G245 PolarHBondContact O-N 3.38Å; Q243-Q246 PolarHBondContact O-N 2.93Å; Q243-L247 WeakPolarHBondContact O-CB 3.45Å; Q243-L247 PolarHBondContact O-N 3.21Å
244T85.6Confident85.3Confident87 Ų8796.6 Ų96.653%0.53450%0.496SS..Hα-helixtrans-63.3-40.7175.8-53.20000110.9V240 Q241 L247 A248V240-T244 VanDerWaalsContact O-CB 3.32Å; V240-T244 WeakPolarHBondContact O-CB 3.32Å; V240-T244 PolarHBondContact O-N 2.91Å; V240-T244 PolarHBondContact O-OG1 3.38Å; Q241-T244 PolarHBondContact O-N 2.9Å; T244-L247 PolarHBondContact O-N 3.47Å; T244-A248 WeakPolarHBondContact O-CB 3.42Å; T244-A248 PolarHBondContact O-N 3.3Å
245G84.6Confident85.1Confident41 Ų4191.2 Ų91.242%0.42349%0.487SS..Hα-helixtrans-63.6-41.717400000113.1Q241 R242 Q243 A248 Y249Q241-G245 PolarHBondContact O-N 2.86Å; R242-G245 PolarHBondContact O-N 2.96Å; Q243-G245 VanDerWaalsContact C-N 3.32Å; Q243-G245 PolarHBondContact O-N 3.38Å; G245-A248 PolarHBondContact O-N 2.91Å; G245-Y249 WeakPolarHBondContact O-CB 3.45Å; G245-Y249 PolarHBondContact O-N 3.5Å
246Q81Confident84.8Confident76 Ų7690 Ų9036%0.35549%0.489SS..Hα-helixtrans-64.7-41174.8-74.4-173.9-36.700112.4R242 Q243 Y249 S250R242-Q246 VanDerWaalsContact NH1-CD 3.3Å; R242-Q246 WeakPolarHBondContact O-CG 3.39Å; R242-Q246 PolarHBondContact O-N 3.14Å; Q243-Q246 PolarHBondContact O-N 2.93Å; Q246-Y249 PolarHBondContact O-N 3.41Å; Q246-S250 PolarHBondContact O-N 2.91Å; Q246-S250 PolarHBondContact O-OG 3.43Å
247L84.8Confident84.3Confident110 Ų11088.9 Ų88.958%0.57649%0.489SS*.Hα-helixtrans-63.9-43.8174.1-99.2143.1000111.7Q243 T244 Y249 S250 L251Q243-L247 WeakPolarHBondContact O-CB 3.45Å; Q243-L247 PolarHBondContact O-N 3.21Å; T244-L247 PolarHBondContact O-N 3.47Å; L247-Y249 VanDerWaalsContact C-N 3.34Å; L247-Y249 PolarHBondContact O-N 3.38Å; L247-S250 PolarHBondContact O-N 3.41Å; L247-S250 PolarHBondContact O-OG 2.86Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 2.94Å
248A84.8Confident83.9Confident52 Ų5289 Ų8943%0.4349%0.49SS..Hα-helixtrans-61.9-43.3175.500000111.3T244 G245 L251 M252T244-A248 WeakPolarHBondContact O-CB 3.42Å; T244-A248 PolarHBondContact O-N 3.3Å; G245-A248 PolarHBondContact O-N 2.91Å; A248-L251 PolarHBondContact O-N 2.91Å; A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.42Å; A248-M252 PolarHBondContact O-N 2.91Å
249Y83.1Confident83.4Confident182 Ų18287.8 Ų87.871%0.71450%0.496SS*.Hα-helixtrans-62.3-44.2176.5-176.3-97.2000112.3G245 Q246 L247 M252 A253G245-Y249 WeakPolarHBondContact O-CB 3.45Å; G245-Y249 PolarHBondContact O-N 3.5Å; Q246-Y249 PolarHBondContact O-N 3.41Å; L247-Y249 VanDerWaalsContact C-N 3.34Å; L247-Y249 PolarHBondContact O-N 3.38Å; Y249-M252 PolarHBondContact O-N 3.11Å; Y249-A253 VanDerWaalsContact O-CB 3.29Å; Y249-A253 WeakPolarHBondContact O-CB 3.16Å; Y249-A253 PolarHBondContact O-N 2.93Å
250S85.1Confident82.7Confident65 Ų6593.8 Ų93.846%0.45552%0.521SS..Hα-helixtrans-68-37.5178.871.60000112.5Q246 L247 A253 A254Q246-S250 PolarHBondContact O-N 2.91Å; Q246-S250 PolarHBondContact O-OG 3.43Å; L247-S250 PolarHBondContact O-N 3.41Å; L247-S250 PolarHBondContact O-OG 2.86Å; S250-A253 PolarHBondContact O-N 3.41Å; S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 2.91Å
251L85.4Confident81.7Confident120 Ų12092.6 Ų92.663%0.62853%0.525SS*.Hα-helixtrans-64.2-44.6174.4-123.2158.5000111.5L247 A248 A254 A255L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 2.94Å; A248-L251 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 3.35Å; L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 3.5Å
252M84.4Confident80.5Confident140 Ų14093.7 Ų93.769%0.6953%0.53SS*.Hα-helixtrans-64.9-41.8176.2-70-71.2-85.400111.6A248 Y249 A254 A255 A256A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.42Å; A248-M252 PolarHBondContact O-N 2.91Å; Y249-M252 PolarHBondContact O-N 3.11Å; M252-A254 PolarHBondContact O-N 3.37Å; M252-A255 PolarHBondContact O-N 3.01Å; M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 3.22Å
253A80.4Confident79.2Confident52 Ų5298.5 Ų98.543%0.4356%0.555SS.*Hα-helixtrans-62.5-42.1175.400000111.9Y249 S250 A256 A257Y249-A253 VanDerWaalsContact O-CB 3.29Å; Y249-A253 WeakPolarHBondContact O-CB 3.16Å; Y249-A253 PolarHBondContact O-N 2.93Å; S250-A253 PolarHBondContact O-N 3.41Å; A253-A256 PolarHBondContact O-N 3.09Å; A253-A257 WeakPolarHBondContact O-CB 3.49Å; A253-A257 PolarHBondContact O-N 3.41Å
254A82.6Confident77.4Confident48 Ų48108.7 Ų108.740%0.39759%0.589SS.*Hα-helixtrans-66.6-4017600000112.4S250 L251 M252 A257 R258S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 3.35Å; M252-A254 PolarHBondContact O-N 3.37Å; A254-A257 PolarHBondContact O-N 3.48Å; A254-R258 WeakPolarHBondContact O-CG 3.48Å; A254-R258 PolarHBondContact O-N 2.92Å; A254-R258 VanDerWaalsContact O-N 3.11Å
255A82.6Confident76.9Confident53 Ų53109.8 Ų109.844%0.43859%0.592SS.*Hα-helixtrans-63.9-44.5175.300000111.7L251 M252 A257 R258 A259L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 3.5Å; M252-A255 PolarHBondContact O-N 3.01Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 3.26Å; A255-R258 PolarHBondContact O-N 3.37Å; A255-A259 PolarHBondContact O-N 3.04Å; A255-A259 VanDerWaalsContact O-N 3.09Å
256A80.2Confident76.5Confident51 Ų51113.4 Ų113.442%0.42160%0.601SS.*Hα-helixtrans-63.4-36.8176.400000112.6M252 A253 K260M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 3.22Å; A253-A256 PolarHBondContact O-N 3.09Å; A256-K260 PolarHBondContact O-N 3.22Å
257A79.4Confident76.3Confident63 Ų63115.4 Ų115.452%0.52162%0.615SS.*Hα-helixtrans-65.4-39.1174.700000112.3A253 A254 A255 K260 G261A253-A257 WeakPolarHBondContact O-CB 3.49Å; A253-A257 PolarHBondContact O-N 3.41Å; A254-A257 PolarHBondContact O-N 3.48Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 3.26Å; A257-K260 PolarHBondContact O-N 3.43Å; A257-G261 PolarHBondContact O-N 3.28Å
258R78.9Confident75.8Confident190 Ų190115.8 Ų115.872%0.71762%0.617SS**Hα-helixtrans-66.6-38.5176.4-74.7178.3179.4161.70.4113.1A254 A255 K260 G261 H262A254-R258 WeakPolarHBondContact O-CG 3.48Å; A254-R258 PolarHBondContact O-N 2.92Å; A254-R258 VanDerWaalsContact O-N 3.11Å; A255-R258 PolarHBondContact O-N 3.37Å; R258-K260 VanDerWaalsContact C-N 3.35Å; R258-G261 PolarHBondContact O-N 3.46Å; R258-H262 PolarHBondContact O-ND1 3.28Å
259A76.4Confident75.2Confident69 Ų69119.8 Ų119.857%0.5763%0.629SS**Hα-helixtrans-64.7-38.5177.500000112.1A255 G261 H262A255-A259 PolarHBondContact O-N 3.04Å; A255-A259 VanDerWaalsContact O-N 3.09Å; A259-G261 VanDerWaalsContact C-N 3.27Å; A259-G261 PolarHBondContact O-N 3.5Å; A259-H262 PolarHBondContact O-N 3.37Å
260K72.4Confident74.7Confident178 Ų178115.6 Ų115.677%0.77462%0.623SS**Hα-helixtrans-69.7-21176.7-71177.4-178.4178.70113.8A256 A257 R258A256-K260 PolarHBondContact O-N 3.22Å; A257-K260 PolarHBondContact O-N 3.43Å; R258-K260 VanDerWaalsContact C-N 3.35Å
261G69.6Low74Confident54 Ų54119.2 Ų119.256%0.55764%0.635SS**THydrogen-bonded Turntrans-79.3-14.2179.200000115.5A257 R258 A259A257-G261 PolarHBondContact O-N 3.28Å; R258-G261 PolarHBondContact O-N 3.46Å; A259-G261 VanDerWaalsContact C-N 3.27Å; A259-G261 PolarHBondContact O-N 3.5Å
262H59.4Low73.1Confident160 Ų160119.2 Ų119.274%0.74164%0.636SS**THydrogen-bonded Turntrans-95.110.5-175.4-78.278.7000114.4R258 A259R258-H262 PolarHBondContact O-ND1 3.28Å; A259-H262 PolarHBondContact O-N 3.37Å
263H60.2Low72.1Confident182 Ų182117.4 Ų117.484%0.84363%0.631SS**  trans-115.931.3178.1-85.3-15.3000113.8
264R43.9Very low71.4Confident309 Ų309123.4 Ų123.4100%1.16665%0.649SS**  trans-125.20166.4-94.3-168.9171.6-158.3-1.5109.8

Retrieved 264 of 264 residues in 130.8 ms (Link to these results)