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Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB (A0A2R9A0L2), UniProt , Accession A0A096MP12, Species PAPAN (Papio anubis, Olive baboon), Gene CNN3, Length 329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low59.7Low231 Ų231125.9 Ų125.9100%1.13867%0.67SS**  0113.50-73.4176.6178.700107.6H3M1-H3 PolarHBondContact O-N 3.34Å
2T39.4Very low61.9Low141 Ų141126.3 Ų126.387%0.86567%0.671SS**  trans-71105.217845.50000108.8F4T2-F4 PolarHBondContact O-N 2.64Å; T2-F4 VanDerWaalsContact O-N 3.14Å
3H43.6Very low63.5Low137 Ų137122.8 Ų122.863%0.63466%0.664SS**  trans-64.1109.8172.9-94.4-89.3000109.2M1 N5M1-H3 PolarHBondContact O-N 3.34Å; H3-N5 VanDerWaalsContact C-N 3.31Å; H3-N5 PolarHBondContact O-N 3.36Å; H3-N5 VanDerWaalsContact O-N 3.12Å
4F44.9Very low65Low189 Ų189115.6 Ų115.683%0.82963%0.629SS**  trans-83.777.1174.8-149.2-85000108.5T2T2-F4 PolarHBondContact O-N 2.64Å; T2-F4 VanDerWaalsContact O-N 3.14Å
5N62Low66.5Low84 Ų84116.7 Ų116.745%0.44963%0.628SS.*  trans-83.4-8.3-168.1-83.3-4.6000115.9H3 E111H3-N5 VanDerWaalsContact C-N 3.31Å; H3-N5 PolarHBondContact O-N 3.36Å; H3-N5 VanDerWaalsContact O-N 3.12Å; N5-E111 PolarHBondContact ND2-OE1 3.25Å
6K61.6Low67.6Low183 Ų183113.9 Ų113.980%0.79662%0.616SS**  trans167.2148.1161.3-100.5155.8-1771710107.7
7G62.9Low68.6Low47 Ų47113.5 Ų113.549%0.48561%0.607SS.*PPolyproline II helixtrans-65.6162.216800000111.3S9G7-S9 PolarHBondContact O-N 2.88Å
8P67.2Low69.5Low90 Ų90113.3 Ų113.358%0.58461%0.606SS**PPolyproline II helixtrans-54.1136.8176.1-20.230.7000110.4Y10P8-Y10 HydrophobicContact CB-CE1 4.21Å; P8-Y10 HydrophobicContact CB-CE2 3.95Å; P8-Y10 HydrophobicContact CG-CE2 4.41Å; P8-Y10 WeakPolarHBondContact CG-OH 3.29Å; P8-Y10 WeakPolarHBondContact O-CD2 3.2Å; P8-Y10 WeakPolarHBondContact O-CE2 3.25Å
9S69.3Low70.5Confident55 Ų55115.1 Ų115.139%0.38561%0.608SS.*PPolyproline II helixtrans-72.3134.3171.863.30000108.8G7 A14G7-S9 PolarHBondContact O-N 2.88Å; S9-A14 VanDerWaalsContact O-CB 3.31Å; S9-A14 WeakPolarHBondContact O-CB 3.3Å; S9-A14 WeakPolarHBondContact OG-CA 3.47Å
10Y80.9Confident71.3Confident179 Ų179112.1 Ų112.170%0.70259%0.592SS**  trans-119.1159.3177.2-60.1-78.3000111.1P8P8-Y10 HydrophobicContact CB-CE1 4.21Å; P8-Y10 HydrophobicContact CB-CE2 3.95Å; P8-Y10 HydrophobicContact CG-CE2 4.41Å; P8-Y10 WeakPolarHBondContact CG-OH 3.29Å; P8-Y10 WeakPolarHBondContact O-CD2 3.2Å; P8-Y10 WeakPolarHBondContact O-CE2 3.25Å
11G87.6Confident71.9Confident49 Ų49109.4 Ų109.451%0.50559%0.586SS.*THydrogen-bonded Turntrans63.9-139.717700000113.5S13 A14 E15G11-S13 PolarHBondContact O-N 2.81Å; G11-S13 VanDerWaalsContact O-N 3.15Å; G11-A14 WeakPolarHBondContact O-CB 3.24Å; G11-A14 PolarHBondContact O-N 2.95Å; G11-E15 PolarHBondContact O-N 3.32Å
12L85.8Confident74.3Confident130 Ų130102.9 Ų102.968%0.68156%0.563SS**Hα-helixtrans-53.7-37.3-176.2-174.265.7000113.2A14 E15 V16L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.45Å; L12-E15 PolarHBondContact O-N 3.22Å; L12-V16 HydrophobicContact CD1-CG2 4.39Å; L12-V16 HydrophobicContact CG-CG2 4.39Å; L12-V16 WeakPolarHBondContact O-CB 3.4Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.05Å; L12-V16 PolarHBondContact O-N 2.84Å
13S83.3Confident76.8Confident82 Ų82103.1 Ų103.157%0.57355%0.551SS**Hα-helixtrans-64.4-35.3178.2-600000112.7G11 K17G11-S13 PolarHBondContact O-N 2.81Å; G11-S13 VanDerWaalsContact O-N 3.15Å; S13-K17 WeakPolarHBondContact O-CB 3.49Å; S13-K17 PolarHBondContact O-N 3.08Å; S13-K17 VanDerWaalsContact O-N 3.08Å
14A84.1Confident79.1Confident22 Ų2298.6 Ų98.618%0.18253%0.529CS..Hα-helixtrans-71.8-43.3176.800000111.4S9 G11 L12 K17 N18S9-A14 VanDerWaalsContact O-CB 3.31Å; S9-A14 WeakPolarHBondContact O-CB 3.3Å; S9-A14 WeakPolarHBondContact OG-CA 3.47Å; G11-A14 WeakPolarHBondContact O-CB 3.24Å; G11-A14 PolarHBondContact O-N 2.95Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.45Å; A14-K17 PolarHBondContact O-N 3.39Å; A14-N18 WeakPolarHBondContact O-CB 3.39Å; A14-N18 VanDerWaalsContact O-CG 3.32Å; A14-N18 PolarHBondContact O-N 3.31Å
15E87Confident81.5Confident132 Ų13293.6 Ų93.662%0.61751%0.511SS*.Hα-helixtrans-62.5-44.7177.4-68.6178-175.300111.8G11 L12 N18 K19G11-E15 PolarHBondContact O-N 3.32Å; L12-E15 PolarHBondContact O-N 3.22Å; E15-N18 PolarHBondContact O-N 3.12Å; E15-K19 WeakPolarHBondContact O-CB 3.49Å; E15-K19 PolarHBondContact O-N 3.24Å
16V85.4Confident83Confident71 Ų7196.2 Ų96.243%0.4352%0.52SS..Hα-helixtrans-61.6-46.3175.5170.70000110.5L12 N18 K19 I20L12-V16 HydrophobicContact CD1-CG2 4.39Å; L12-V16 HydrophobicContact CG-CG2 4.39Å; L12-V16 WeakPolarHBondContact O-CB 3.4Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.05Å; L12-V16 PolarHBondContact O-N 2.84Å; V16-N18 PolarHBondContact O-N 3.41Å; V16-K19 PolarHBondContact O-N 3.21Å; V16-I20 HydrophobicContact CG1-CD1 3.72Å; V16-I20 HydrophobicContact CG1-CG1 4.43Å; V16-I20 VanDerWaalsContact O-CG1 3.28Å; V16-I20 WeakPolarHBondContact O-CG1 3.4Å; V16-I20 PolarHBondContact O-N 3.34Å
17K83.6Confident84.4Confident108 Ų10892.9 Ų92.947%0.4751%0.508SS..Hα-helixtrans-60.2-44.8177.7-170.7177.1-177.4179.60111.7S13 A14 K19 I20 A21S13-K17 WeakPolarHBondContact O-CB 3.49Å; S13-K17 PolarHBondContact O-N 3.08Å; S13-K17 VanDerWaalsContact O-N 3.08Å; A14-K17 PolarHBondContact O-N 3.39Å; K17-K19 PolarHBondContact O-N 2.78Å; K17-I20 PolarHBondContact O-N 2.69Å; K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 3.15Å
18N85.9Confident85.8Confident110 Ų11091.7 Ų91.759%0.58849%0.493SS*.Hα-helixtrans-63.6-40.7177.4-74.9-11.2000112.1A14 E15 V16 I20 A21 S22A14-N18 WeakPolarHBondContact O-CB 3.39Å; A14-N18 VanDerWaalsContact O-CG 3.32Å; A14-N18 PolarHBondContact O-N 3.31Å; E15-N18 PolarHBondContact O-N 3.12Å; V16-N18 PolarHBondContact O-N 3.41Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 2.9Å; N18-A21 PolarHBondContact O-N 3.29Å; N18-S22 WeakPolarHBondContact O-CB 3.24Å; N18-S22 PolarHBondContact O-N 2.88Å
19K88.1Confident87.1Confident147 Ų14789 Ų8964%0.63947%0.472SS*.Hα-helixtrans-69.6-28177.4-170.5172.1-175.1174.30113.4E15 V16 K17 S22E15-K19 WeakPolarHBondContact O-CB 3.49Å; E15-K19 PolarHBondContact O-N 3.24Å; V16-K19 PolarHBondContact O-N 3.21Å; K17-K19 PolarHBondContact O-N 2.78Å; K19-S22 PolarHBondContact O-OG 3.01Å
20I86.3Confident88.3Confident55 Ų5590 Ų9028%0.28247%0.471SS..Hα-helixtrans-75.5-45.5172.1-69167.2000109.6V16 K17 N18 S22 K23 N114 T116V16-I20 HydrophobicContact CG1-CD1 3.72Å; V16-I20 HydrophobicContact CG1-CG1 4.43Å; V16-I20 VanDerWaalsContact O-CG1 3.28Å; V16-I20 WeakPolarHBondContact O-CG1 3.4Å; V16-I20 PolarHBondContact O-N 3.34Å; K17-I20 PolarHBondContact O-N 2.69Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 2.9Å; I20-S22 VanDerWaalsContact C-N 3.25Å; I20-S22 PolarHBondContact O-N 2.96Å; I20-K23 WeakPolarHBondContact O-CB 3.33Å; I20-K23 PolarHBondContact O-N 3.18Å; I20-K23 VanDerWaalsContact O-N 3.08Å; I20-N114 WeakPolarHBondContact CG2-OD1 3.34Å; I20-T116 HydrophobicContact CG2-CG2 4.19Å; I20-T116 WeakPolarHBondContact O-CG2 3.38Å; I20-T116 PolarHBondContact O-OG1 3.33Å
21A83.6Confident89Confident56 Ų5684.3 Ų84.346%0.46345%0.453SS..Hα-helixtrans-60.8-35.1176.900000112K17 N18 K23 Y24K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 3.15Å; N18-A21 PolarHBondContact O-N 3.29Å; A21-K23 PolarHBondContact O-N 3.35Å; A21-Y24 WeakPolarHBondContact O-CB 3.41Å; A21-Y24 PolarHBondContact O-N 2.9Å
22S88.1Confident89.4Confident94 Ų9482 Ų8266%0.65743%0.429SS*.THydrogen-bonded Turntrans-67.4-13.9177.374.10000114.3N18 K19 I20N18-S22 WeakPolarHBondContact O-CB 3.24Å; N18-S22 PolarHBondContact O-N 2.88Å; K19-S22 PolarHBondContact O-OG 3.01Å; I20-S22 VanDerWaalsContact C-N 3.25Å; I20-S22 PolarHBondContact O-N 2.96Å
23K91.4Very high89.9Confident145 Ų14576.8 Ų76.863%0.6340%0.4SS*.THydrogen-bonded Turntrans-89.2-6.8174.5-65.5176.8180-174.70112.9I20 A21 D25 T116I20-K23 WeakPolarHBondContact O-CB 3.33Å; I20-K23 PolarHBondContact O-N 3.18Å; I20-K23 VanDerWaalsContact O-N 3.08Å; A21-K23 PolarHBondContact O-N 3.35Å; K23-D25 PolarHBondContact O-N 3.13Å; K23-T116 HydrophobicContact CB-CG2 3.87Å
24Y93.3Very high90.4Very high42 Ų4275.9 Ų75.917%0.16539%0.389CS..  trans-66.9129.7177.1-165.2-90.3000109.6A21 H26 E29 M115 Q119A21-Y24 WeakPolarHBondContact O-CB 3.41Å; A21-Y24 PolarHBondContact O-N 2.9Å; Y24-H26 AromaticContact CD1-CE1 3.97Å; Y24-H26 AromaticContact CD1-ND1 3.99Å; Y24-H26 AromaticContact CE1-ND1 3.81Å; Y24-E29 HydrophobicContact CE1-CB 4.15Å; Y24-E29 HydrophobicContact CE1-CG 4.5Å; Y24-E29 WeakPolarHBondContact CE1-OE2 3.45Å; Y24-E29 VanDerWaalsContact OH-CD 3.3Å; Y24-E29 VanDerWaalsContact OH-CG 3.26Å; Y24-E29 WeakPolarHBondContact OH-CG 3.48Å; Y24-E29 PolarHBondContact OH-OE2 2.97Å; Y24-M115 HydrophobicContact CD2-CB 4.21Å; Y24-M115 HydrophobicContact CE2-CB 3.81Å; Y24-M115 WeakPolarHBondContact CE2-O 3.38Å; Y24-Q119 HydrophobicContact CD2-CB 4.43Å; Y24-Q119 HydrophobicContact CE2-CB 3.92Å
25D94.1Very high91Very high84 Ų8475 Ų7545%0.44938%0.381SS..  trans-112.7115.6-178.8-178.4-2.3000110.4K23 Q27 A28 E29 Q119K23-D25 PolarHBondContact O-N 3.13Å; D25-Q27 VanDerWaalsContact C-N 3.3Å; D25-Q27 PolarHBondContact O-N 3.37Å; D25-Q27 PolarHBondContact OD1-N 3.03Å; D25-A28 HydrophobicContact CB-CB 3.91Å; D25-A28 PolarHBondContact O-N 3.42Å; D25-E29 PolarHBondContact O-N 2.95Å; D25-Q119 PolarHBondContact O-NE2 2.9Å
26H93.3Very high91.4Very high139 Ų13968.7 Ų68.764%0.64435%0.352SS*.Hα-helixtrans-67.9-28.3-179.9-68.6-61.5000113.4Y24 E29 E30Y24-H26 AromaticContact CD1-CE1 3.97Å; Y24-H26 AromaticContact CD1-ND1 3.99Å; Y24-H26 AromaticContact CE1-ND1 3.81Å; H26-E29 IonicContact ND1-OE2 3.69Å; H26-E29 WeakPolarHBondContact O-CB 3.24Å; H26-E29 PolarHBondContact O-N 3.2Å; H26-E30 PolarHBondContact O-N 2.85Å; H26-E30 VanDerWaalsContact O-N 3.17Å
27Q92.4Very high91.9Very high114 Ų11467.7 Ų67.753%0.53334%0.342SS..Hα-helixtrans-69.7-44.5175.8-175.559.252.800110.2D25 E29 E30 D31D25-Q27 VanDerWaalsContact C-N 3.3Å; D25-Q27 PolarHBondContact O-N 3.37Å; D25-Q27 PolarHBondContact OD1-N 3.03Å; Q27-E29 VanDerWaalsContact C-N 3.25Å; Q27-E29 PolarHBondContact O-N 2.87Å; Q27-E30 PolarHBondContact O-N 3.12Å; Q27-E30 VanDerWaalsContact O-N 3.12Å; Q27-D31 PolarHBondContact NE2-OD1 2.76Å; Q27-D31 VanDerWaalsContact NE2-OD1 3.07Å; Q27-D31 PolarHBondContact O-N 3.27Å
28A91.9Very high92.5Very high21 Ų2166.1 Ų66.117%0.17434%0.337CS..Hα-helixtrans-63.2-31.7175.700000112.5D25 L32D25-A28 HydrophobicContact CB-CB 3.91Å; D25-A28 PolarHBondContact O-N 3.42Å; A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.05Å; A28-L32 VanDerWaalsContact O-CG 3.23Å; A28-L32 WeakPolarHBondContact O-CG 3.47Å; A28-L32 PolarHBondContact O-N 3.07Å
29E94.9Very high92.9Very high33 Ų3361.7 Ų61.715%0.15431%0.313CS..Hα-helixtrans-61.4-47.2171.2-176.3-166.9140.500111.3Y24 D25 H26 Q27 L32 R33 F48 Q119Y24-E29 HydrophobicContact CE1-CB 4.15Å; Y24-E29 HydrophobicContact CE1-CG 4.5Å; Y24-E29 WeakPolarHBondContact CE1-OE2 3.45Å; Y24-E29 VanDerWaalsContact OH-CD 3.3Å; Y24-E29 VanDerWaalsContact OH-CG 3.26Å; Y24-E29 WeakPolarHBondContact OH-CG 3.48Å; Y24-E29 PolarHBondContact OH-OE2 2.97Å; D25-E29 PolarHBondContact O-N 2.95Å; H26-E29 IonicContact ND1-OE2 3.69Å; H26-E29 WeakPolarHBondContact O-CB 3.24Å; H26-E29 PolarHBondContact O-N 3.2Å; Q27-E29 VanDerWaalsContact C-N 3.25Å; Q27-E29 PolarHBondContact O-N 2.87Å; E29-L32 WeakPolarHBondContact O-CB 3.22Å; E29-L32 PolarHBondContact O-N 3.48Å; E29-R33 PolarHBondContact O-N 3.28Å; E29-R33 IonicContact OE1-NH2 3.49Å; E29-R33 PolarHBondContact OE1-NH2 3.33Å; E29-F48 HydrophobicContact CG-CB 3.93Å; E29-F48 HydrophobicContact CG-CD1 3.86Å; E29-F48 HydrophobicContact CG-CD2 4.08Å; E29-F48 HydrophobicContact CG-CE1 4.37Å; E29-F48 HydrophobicContact CG-CG 3.7Å; E29-F48 WeakPolarHBondContact OE1-CB 3.49Å; E29-Q119 VanDerWaalsContact N-NE2 3.19Å
30E94.6Very high93.3Very high77 Ų7755.3 Ų55.336%0.3629%0.287SS..Hα-helixtrans-68.6-40.2-178-171.256.1-156.700111.8H26 Q27 L32 R33 N34H26-E30 PolarHBondContact O-N 2.85Å; H26-E30 VanDerWaalsContact O-N 3.17Å; Q27-E30 PolarHBondContact O-N 3.12Å; Q27-E30 VanDerWaalsContact O-N 3.12Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L32 PolarHBondContact O-N 3.17Å; E30-R33 WeakPolarHBondContact O-CB 3.42Å; E30-R33 PolarHBondContact O-N 3.25Å; E30-R33 WeakPolarHBondContact OE2-CD 3.11Å; E30-R33 IonicContact OE2-NE 2.97Å; E30-R33 PolarHBondContact OE2-NE 3.26Å; E30-N34 PolarHBondContact O-N 3.49Å; E30-N34 PolarHBondContact O-ND2 2.97Å
31D94.3Very high93.7Very high60 Ų6056.1 Ų56.132%0.32131%0.309SS..Hα-helixtrans-60-48.1172.2-62-20.3000109.5Q27 R33 N34 W35 I140Q27-D31 PolarHBondContact NE2-OD1 2.76Å; Q27-D31 VanDerWaalsContact NE2-OD1 3.07Å; Q27-D31 PolarHBondContact O-N 3.27Å; D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 2.62Å; D31-N34 PolarHBondContact O-N 3.41Å; D31-W35 WeakPolarHBondContact O-CB 3.44Å; D31-W35 PolarHBondContact O-N 3.36Å; D31-I140 HydrophobicContact CB-CD1 3.46Å; D31-I140 VanDerWaalsContact CB-CD1 3.46Å; D31-I140 HydrophobicContact CB-CG1 3.77Å; D31-I140 WeakPolarHBondContact O-CD1 3.43Å
32L96Very high94.2Very high0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-58.6-42179.1-84.7177.3000112.1A28 E29 E30 W35 I36 F48 Q119 L122 V123 I140A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.05Å; A28-L32 VanDerWaalsContact O-CG 3.23Å; A28-L32 WeakPolarHBondContact O-CG 3.47Å; A28-L32 PolarHBondContact O-N 3.07Å; E29-L32 WeakPolarHBondContact O-CB 3.22Å; E29-L32 PolarHBondContact O-N 3.48Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L32 PolarHBondContact O-N 3.17Å; L32-W35 HydrophobicContact CD2-CE3 4.38Å; L32-W35 PolarHBondContact O-N 2.96Å; L32-I36 WeakPolarHBondContact O-CB 3.35Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 3.13Å; L32-F48 HydrophobicContact CB-CE2 4.34Å; L32-F48 HydrophobicContact CB-CZ 4.1Å; L32-F48 HydrophobicContact CD1-CZ 4.4Å; L32-Q119 HydrophobicContact CD1-CB 4.41Å; L32-Q119 HydrophobicContact CD1-CG 3.9Å; L32-L122 HydrophobicContact CD1-CB 3.92Å; L32-L122 HydrophobicContact CD1-CD1 4.47Å; L32-L122 HydrophobicContact CD2-CB 3.76Å; L32-V123 HydrophobicContact CD1-CG2 3.95Å; L32-V123 HydrophobicContact CD2-CG2 4.08Å; L32-V123 HydrophobicContact CG-CG2 4.07Å; L32-I140 HydrophobicContact CD2-CD1 4.45Å; L32-I140 HydrophobicContact CD2-CG2 4.12Å
33R96.1Very high94.5Very high21 Ų2156.7 Ų56.78%0.07930%0.302CS..Hα-helixtrans-54.9-59.1174.1173.1-166.9-53.8-72.84.4109.5E29 E30 D31 W35 I36 E37 I44 G45 T46 F48E29-R33 PolarHBondContact O-N 3.28Å; E29-R33 IonicContact OE1-NH2 3.49Å; E29-R33 PolarHBondContact OE1-NH2 3.33Å; E30-R33 WeakPolarHBondContact O-CB 3.42Å; E30-R33 PolarHBondContact O-N 3.25Å; E30-R33 WeakPolarHBondContact OE2-CD 3.11Å; E30-R33 IonicContact OE2-NE 2.97Å; E30-R33 PolarHBondContact OE2-NE 3.26Å; D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 2.62Å; R33-W35 PolarHBondContact O-N 3.35Å; R33-I36 PolarHBondContact O-N 3.41Å; R33-I36 VanDerWaalsContact O-N 3.13Å; R33-E37 HydrophobicContact CG-CG 4.33Å; R33-E37 VanDerWaalsContact O-CG 3.3Å; R33-E37 WeakPolarHBondContact O-CG 3.26Å; R33-E37 PolarHBondContact O-N 3.37Å; R33-I44 HydrophobicContact CB-CD1 4.48Å; R33-I44 HydrophobicContact CG-CD1 4.31Å; R33-G45 PolarHBondContact NH1-O 3.43Å; R33-T46 PolarHBondContact NH2-O 3.1Å; R33-F48 HydrophobicContact CB-CD2 4.17Å; R33-F48 HydrophobicContact CB-CE2 4.18Å
34N95.2Very high94.7Very high63 Ų6350.2 Ų50.234%0.33727%0.274SS..Hα-helixtrans-57.1-39.8-177.2-67.3-44.2000111.2E30 D31 E38 I138E30-N34 PolarHBondContact O-N 3.49Å; E30-N34 PolarHBondContact O-ND2 2.97Å; D31-N34 PolarHBondContact O-N 3.41Å; N34-E38 WeakPolarHBondContact O-CB 3.42Å; N34-E38 PolarHBondContact O-N 2.82Å; N34-I138 HydrophobicContact CB-CD1 3.35Å; N34-I138 HydrophobicContact CB-CG1 4.44Å; N34-I138 VanDerWaalsContact O-CD1 3.24Å; N34-I138 WeakPolarHBondContact O-CD1 3.37Å
35W95.7Very high94.7Very high2 Ų249.9 Ų49.91%0.00828%0.284CS..Hα-helixtrans-66-45.7177.9176.976.9000112.8D31 L32 R33 E37 E38 V39 L61 L65 A126 A129 T136 I138 I140D31-W35 WeakPolarHBondContact O-CB 3.44Å; D31-W35 PolarHBondContact O-N 3.36Å; L32-W35 HydrophobicContact CD2-CE3 4.38Å; L32-W35 PolarHBondContact O-N 2.96Å; R33-W35 PolarHBondContact O-N 3.35Å; W35-E37 VanDerWaalsContact C-N 3.34Å; W35-E38 PolarHBondContact O-N 3.44Å; W35-V39 HydrophobicContact CD2-CG2 4.45Å; W35-V39 HydrophobicContact CZ2-CG2 4.3Å; W35-V39 VanDerWaalsContact O-CG2 3.24Å; W35-V39 WeakPolarHBondContact O-CG2 3.46Å; W35-V39 PolarHBondContact O-N 3.44Å; W35-L61 HydrophobicContact CH2-CD1 3.93Å; W35-L61 HydrophobicContact CH2-CD2 4.28Å; W35-L61 HydrophobicContact CH2-CG 4.49Å; W35-L61 HydrophobicContact CZ3-CD1 3.98Å; W35-L61 HydrophobicContact CZ3-CD2 3.92Å; W35-L61 HydrophobicContact CZ3-CG 4.5Å; W35-L65 HydrophobicContact CH2-CD1 4.19Å; W35-L65 HydrophobicContact CZ2-CD2 4.47Å; W35-A126 HydrophobicContact CD2-CB 4.08Å; W35-A126 HydrophobicContact CE3-CB 4.17Å; W35-A126 HydrophobicContact CH2-CB 3.86Å; W35-A126 HydrophobicContact CZ2-CB 3.74Å; W35-A126 HydrophobicContact CZ3-CB 4.07Å; W35-A129 HydrophobicContact CZ2-CB 4.49Å; W35-T136 PolarHBondContact NE1-OG1 3.37Å; W35-I138 HydrophobicContact CB-CB 4.35Å; W35-I138 HydrophobicContact CB-CD1 4.47Å; W35-I138 HydrophobicContact CB-CG2 4.11Å; W35-I140 HydrophobicContact CB-CD1 3.52Å; W35-I140 HydrophobicContact CG-CD1 4.15Å
36I96.3Very high94.5Very high0 Ų052.7 Ų52.70%030%0.304CS..Hα-helixtrans-64.8-42.2178-66.3170.2000110.3L32 R33 V39 T40 I44 F48 L52 I57 L61 L122L32-I36 WeakPolarHBondContact O-CB 3.35Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 3.13Å; R33-I36 PolarHBondContact O-N 3.41Å; R33-I36 VanDerWaalsContact O-N 3.13Å; I36-V39 PolarHBondContact O-N 3.03Å; I36-T40 HydrophobicContact CG2-CG2 4.21Å; I36-T40 WeakPolarHBondContact O-CB 3.44Å; I36-T40 WeakPolarHBondContact O-CG2 3.37Å; I36-T40 PolarHBondContact O-N 3.06Å; I36-T40 PolarHBondContact O-OG1 3.41Å; I36-I44 HydrophobicContact CB-CD1 4Å; I36-I44 HydrophobicContact CD1-CD1 4.25Å; I36-I44 HydrophobicContact CG2-CD1 3.93Å; I36-F48 HydrophobicContact CD1-CE2 4.36Å; I36-F48 HydrophobicContact CD1-CZ 4.29Å; I36-L52 HydrophobicContact CD1-CD1 4.44Å; I36-I57 HydrophobicContact CG2-CG2 3.44Å; I36-I57 VanDerWaalsContact CG2-CG2 3.44Å; I36-L61 HydrophobicContact CD1-CD2 4.48Å; I36-L61 HydrophobicContact CG1-CD2 4.08Å; I36-L122 HydrophobicContact CD1-CD1 4.19Å
37E96.1Very high94.6Very high51 Ų5149.7 Ų49.724%0.23829%0.293CS..Hα-helixtrans-65.6-38.4177.9-62.3-164162.100111.2R33 W35 G41 M42 S43 I44R33-E37 HydrophobicContact CG-CG 4.33Å; R33-E37 VanDerWaalsContact O-CG 3.3Å; R33-E37 WeakPolarHBondContact O-CG 3.26Å; R33-E37 PolarHBondContact O-N 3.37Å; W35-E37 VanDerWaalsContact C-N 3.34Å; E37-G41 WeakPolarHBondContact O-CA 2.92Å; E37-G41 PolarHBondContact O-N 3.19Å; E37-M42 VanDerWaalsContact CG-O 3.29Å; E37-M42 WeakPolarHBondContact CG-O 3.46Å; E37-S43 VanDerWaalsContact OE1-CA 3.25Å; E37-S43 WeakPolarHBondContact OE1-CA 3.31Å; E37-S43 PolarHBondContact OE1-OG 3.15Å; E37-S43 VanDerWaalsContact OE1-OG 3.08Å; E37-I44 HydrophobicContact CG-CD1 4.36Å; E37-I44 HydrophobicContact CG-CG1 4.22Å; E37-I44 PolarHBondContact OE1-N 2.82Å
38E95.1Very high94.7Very high75 Ų7544.3 Ų44.335%0.3527%0.268SS..Hα-helixtrans-61.8-45.1173.6-172.3-168.3150.900111.6N34 W35 T136 T137 I138N34-E38 WeakPolarHBondContact O-CB 3.42Å; N34-E38 PolarHBondContact O-N 2.82Å; W35-E38 PolarHBondContact O-N 3.44Å; E38-T136 WeakPolarHBondContact OE1-CA 3.36Å; E38-T137 PolarHBondContact OE1-N 3.4Å; E38-T137 PolarHBondContact OE1-OG1 3.06Å; E38-T137 PolarHBondContact OE2-N 2.93Å; E38-T137 PolarHBondContact OE2-OG1 3.32Å; E38-I138 HydrophobicContact CB-CD1 4.28Å; E38-I138 WeakPolarHBondContact OE2-CD1 3.36Å; E38-I138 WeakPolarHBondContact OE2-CG1 3.38Å; E38-I138 PolarHBondContact OE2-N 3.08Å
39V95.1Very high94.9Very high16 Ų1644.4 Ų44.410%0.09727%0.265CS..Hα-helixtrans-73.5-42-176.1177.10000112.1W35 I36 L61 K64 L65 F134 T136W35-V39 HydrophobicContact CD2-CG2 4.45Å; W35-V39 HydrophobicContact CZ2-CG2 4.3Å; W35-V39 VanDerWaalsContact O-CG2 3.24Å; W35-V39 WeakPolarHBondContact O-CG2 3.46Å; W35-V39 PolarHBondContact O-N 3.44Å; I36-V39 PolarHBondContact O-N 3.03Å; V39-L61 HydrophobicContact CB-CD1 3.86Å; V39-L61 HydrophobicContact CG1-CD1 3.65Å; V39-L61 HydrophobicContact CG2-CD1 4.44Å; V39-K64 HydrophobicContact CG1-CB 3.68Å; V39-K64 HydrophobicContact CG1-CG 4.28Å; V39-K64 WeakPolarHBondContact O-CG 3.17Å; V39-L65 HydrophobicContact CG1-CD2 4.3Å; V39-F134 HydrophobicContact CG1-CE1 4.26Å; V39-F134 HydrophobicContact CG1-CZ 4.12Å; V39-F134 HydrophobicContact CG2-CE1 3.94Å; V39-T136 HydrophobicContact CG2-CG2 3.59Å
40T95.6Very high94.9Very high14 Ų1447.7 Ų47.79%0.08628%0.282CS..Hα-helixtrans-91.5-27.9-17461.70000113.3I36 M42 I57 E60 L61I36-T40 HydrophobicContact CG2-CG2 4.21Å; I36-T40 WeakPolarHBondContact O-CB 3.44Å; I36-T40 WeakPolarHBondContact O-CG2 3.37Å; I36-T40 PolarHBondContact O-N 3.06Å; I36-T40 PolarHBondContact O-OG1 3.41Å; T40-M42 PolarHBondContact O-N 2.88Å; T40-M42 PolarHBondContact OG1-N 3.4Å; T40-I57 HydrophobicContact CG2-CG2 4.3Å; T40-E60 HydrophobicContact CG2-CB 4.45Å; T40-E60 HydrophobicContact CG2-CG 4.42Å; T40-L61 HydrophobicContact CG2-CB 3.76Å; T40-L61 HydrophobicContact CG2-CD1 4.14Å
41G94.6Very high95Very high72 Ų7244.7 Ų44.774%0.74227%0.273SS*.  trans71.79.3-168.800000114.1E37E37-G41 WeakPolarHBondContact O-CA 2.92Å; E37-G41 PolarHBondContact O-N 3.19Å
42M94.4Very high95.1Very high72 Ų7241.9 Ų41.936%0.35526%0.257SS..  trans-104.5142.1180-60.8-178.669.400110.1E37 T40 I56 I57 E60E37-M42 VanDerWaalsContact CG-O 3.29Å; E37-M42 WeakPolarHBondContact CG-O 3.46Å; T40-M42 PolarHBondContact O-N 2.88Å; T40-M42 PolarHBondContact OG1-N 3.4Å; M42-I56 HydrophobicContact CE-CG2 4.14Å; M42-I57 HydrophobicContact CB-CD1 4.4Å; M42-I57 HydrophobicContact CB-CG1 4.21Å; M42-I57 HydrophobicContact CE-CG1 3.91Å; M42-I57 HydrophobicContact SD-CG1 4.16Å; M42-E60 HydrophobicContact SD-CB 4.25Å; M42-E60 HydrophobicContact SD-CG 4.28Å
43S95Very high95.1Very high89 Ų8944.7 Ų44.762%0.62227%0.27SS*.  trans-88.2135.1175.1-175.30000112E37 G45E37-S43 VanDerWaalsContact OE1-CA 3.25Å; E37-S43 WeakPolarHBondContact OE1-CA 3.31Å; E37-S43 PolarHBondContact OE1-OG 3.15Å; E37-S43 VanDerWaalsContact OE1-OG 3.08Å; S43-G45 PolarHBondContact OG-N 3.38Å
44I94.5Very high95.1Very high9 Ų945.9 Ų45.95%0.04628%0.278CS..  trans-80.5-23.1176.1-60.7172.9000110.6R33 I36 E37 F48 G51 L52 I57R33-I44 HydrophobicContact CB-CD1 4.48Å; R33-I44 HydrophobicContact CG-CD1 4.31Å; I36-I44 HydrophobicContact CB-CD1 4Å; I36-I44 HydrophobicContact CD1-CD1 4.25Å; I36-I44 HydrophobicContact CG2-CD1 3.93Å; E37-I44 HydrophobicContact CG-CD1 4.36Å; E37-I44 HydrophobicContact CG-CG1 4.22Å; E37-I44 PolarHBondContact OE1-N 2.82Å; I44-F48 HydrophobicContact CD1-CD2 4.14Å; I44-F48 HydrophobicContact CD1-CE2 3.89Å; I44-F48 HydrophobicContact CG2-CD2 4.12Å; I44-G51 VanDerWaalsContact O-CA 3.24Å; I44-G51 WeakPolarHBondContact O-CA 3.29Å; I44-L52 HydrophobicContact CD1-CD2 3.99Å; I44-L52 HydrophobicContact CD1-CG 4.49Å; I44-L52 HydrophobicContact CG1-CD2 4.12Å; I44-L52 HydrophobicContact CG2-CD2 4.46Å; I44-L52 HydrophobicContact CG2-CG 4.24Å; I44-I57 HydrophobicContact CB-CD1 4.47Å; I44-I57 HydrophobicContact CG1-CD1 3.9Å; I44-I57 HydrophobicContact CG1-CG2 4.47Å
45G92.8Very high95.1Very high35 Ų3542.9 Ų42.936%0.36126%0.262SS..  trans77.1-173.1-175.800000113.2R33 S43 N47R33-G45 PolarHBondContact NH1-O 3.43Å; S43-G45 PolarHBondContact OG-N 3.38Å; G45-N47 PolarHBondContact O-N 3.13Å
46T91.4Very high95.2Very high144 Ų14444.4 Ų44.488%0.88327%0.27SS*.SBendtrans-66.8-37.7-167.655.20000114.3R33R33-T46 PolarHBondContact NH2-O 3.1Å
47N94.9Very high95.2Very high75 Ų7544.8 Ų44.840%0.40127%0.272SS..  trans-98.7111.4-179.8-174.5-53.3000110G45 Q49 L50 G51G45-N47 PolarHBondContact O-N 3.13Å; N47-Q49 PolarHBondContact O-N 2.81Å; N47-Q49 PolarHBondContact OD1-N 3.38Å; N47-Q49 VanDerWaalsContact OD1-N 3.13Å; N47-L50 HydrophobicContact CB-CB 4.04Å; N47-L50 HydrophobicContact CB-CD1 3.98Å; N47-L50 HydrophobicContact CB-CG 4.19Å; N47-L50 PolarHBondContact O-N 2.56Å; N47-L50 PolarHBondContact OD1-N 2.9Å; N47-G51 PolarHBondContact O-N 2.89Å
48F95.3Very high95.3Very high2 Ų242.4 Ų42.41%0.00926%0.26CS..Hα-helixtrans-59.5-44-176.1-173.8-105.3000113E29 L32 R33 I36 I44 L52 M115 L122E29-F48 HydrophobicContact CG-CB 3.93Å; E29-F48 HydrophobicContact CG-CD1 3.86Å; E29-F48 HydrophobicContact CG-CD2 4.08Å; E29-F48 HydrophobicContact CG-CE1 4.37Å; E29-F48 HydrophobicContact CG-CG 3.7Å; E29-F48 WeakPolarHBondContact OE1-CB 3.49Å; L32-F48 HydrophobicContact CB-CE2 4.34Å; L32-F48 HydrophobicContact CB-CZ 4.1Å; L32-F48 HydrophobicContact CD1-CZ 4.4Å; R33-F48 HydrophobicContact CB-CD2 4.17Å; R33-F48 HydrophobicContact CB-CE2 4.18Å; I36-F48 HydrophobicContact CD1-CE2 4.36Å; I36-F48 HydrophobicContact CD1-CZ 4.29Å; I44-F48 HydrophobicContact CD1-CD2 4.14Å; I44-F48 HydrophobicContact CD1-CE2 3.89Å; I44-F48 HydrophobicContact CG2-CD2 4.12Å; F48-L52 HydrophobicContact CD1-CD1 4.15Å; F48-L52 HydrophobicContact CD2-CD1 4.38Å; F48-L52 HydrophobicContact CE1-CD1 3.65Å; F48-L52 HydrophobicContact CE2-CD1 3.92Å; F48-L52 HydrophobicContact CG-CD1 4.49Å; F48-L52 HydrophobicContact CZ-CD1 3.52Å; F48-L52 WeakPolarHBondContact O-CG 3.39Å; F48-L52 PolarHBondContact O-N 3.03Å; F48-M115 HydrophobicContact CD1-CE 3.79Å; F48-M115 HydrophobicContact CE1-CE 4.15Å; F48-L122 HydrophobicContact CE1-CD1 4.36Å; F48-L122 HydrophobicContact CZ-CD1 4.09Å
49Q95.4Very high95.4Very high23 Ų2338.8 Ų38.811%0.10724%0.244CC..Hα-helixtrans-64.4-47.8179.4-178.2-81.2-43.800111.4N47 L52 K53 L109 N112 M115N47-Q49 PolarHBondContact O-N 2.81Å; N47-Q49 PolarHBondContact OD1-N 3.38Å; N47-Q49 VanDerWaalsContact OD1-N 3.13Å; Q49-L52 PolarHBondContact O-N 3.27Å; Q49-K53 WeakPolarHBondContact O-CB 3.04Å; Q49-K53 PolarHBondContact O-N 3.38Å; Q49-L109 HydrophobicContact CG-CD1 4.24Å; Q49-L109 PolarHBondContact NE2-O 3.46Å; Q49-N112 HydrophobicContact CG-CB 4.27Å; Q49-M115 HydrophobicContact CB-CE 3.97Å; Q49-M115 HydrophobicContact CB-CG 4.44Å; Q49-M115 HydrophobicContact CB-SD 3.89Å; Q49-M115 HydrophobicContact CG-CE 4.33Å; Q49-M115 HydrophobicContact CG-CG 4.19Å; Q49-M115 HydrophobicContact CG-SD 3.58Å; Q49-M115 VanDerWaalsContact CG-SD 3.58Å
50L95.2Very high95.5Very high101 Ų10140.8 Ų40.853%0.52925%0.252SS..Hα-helixtrans-66.9-37.4-178.6-68.5176.5000112.3N47 L52 K53N47-L50 HydrophobicContact CB-CB 4.04Å; N47-L50 HydrophobicContact CB-CD1 3.98Å; N47-L50 HydrophobicContact CB-CG 4.19Å; N47-L50 PolarHBondContact O-N 2.56Å; N47-L50 PolarHBondContact OD1-N 2.9Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.2Å; L50-K53 HydrophobicContact CD2-CD 4.23Å; L50-K53 WeakPolarHBondContact O-CB 3.43Å; L50-K53 PolarHBondContact O-N 2.76Å
51G95.6Very high95.6Very high15 Ų1540.1 Ų40.116%0.15525%0.248CC..Hα-helixtrans-65.9-28.9177.700000113.9I44 N47I44-G51 VanDerWaalsContact O-CA 3.24Å; I44-G51 WeakPolarHBondContact O-CA 3.29Å; N47-G51 PolarHBondContact O-N 2.89Å
52L96.8Very high95.8Very high0 Ų036.7 Ų36.70%021%0.212CC..Hα-helixtrans-94.1-9.6176.8-62.2179.1000113.4I36 I44 F48 Q49 L50 D54 G55 I57 L58 L109 L122I36-L52 HydrophobicContact CD1-CD1 4.44Å; I44-L52 HydrophobicContact CD1-CD2 3.99Å; I44-L52 HydrophobicContact CD1-CG 4.49Å; I44-L52 HydrophobicContact CG1-CD2 4.12Å; I44-L52 HydrophobicContact CG2-CD2 4.46Å; I44-L52 HydrophobicContact CG2-CG 4.24Å; F48-L52 HydrophobicContact CD1-CD1 4.15Å; F48-L52 HydrophobicContact CD2-CD1 4.38Å; F48-L52 HydrophobicContact CE1-CD1 3.65Å; F48-L52 HydrophobicContact CE2-CD1 3.92Å; F48-L52 HydrophobicContact CG-CD1 4.49Å; F48-L52 HydrophobicContact CZ-CD1 3.52Å; F48-L52 WeakPolarHBondContact O-CG 3.39Å; F48-L52 PolarHBondContact O-N 3.03Å; Q49-L52 PolarHBondContact O-N 3.27Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.2Å; L52-D54 VanDerWaalsContact C-N 3.28Å; L52-D54 PolarHBondContact O-N 3.18Å; L52-G55 PolarHBondContact O-N 3.02Å; L52-I57 HydrophobicContact CD2-CB 4.02Å; L52-I57 HydrophobicContact CD2-CG2 3.9Å; L52-L58 HydrophobicContact CB-CG 4.5Å; L52-L58 HydrophobicContact CD1-CD2 4.37Å; L52-L58 HydrophobicContact CD2-CD2 4.05Å; L52-L58 HydrophobicContact CD2-CG 4.26Å; L52-L109 HydrophobicContact CB-CD1 4.09Å; L52-L109 HydrophobicContact CB-CD2 4.15Å; L52-L122 HydrophobicContact CD1-CD1 4.23Å
53K95.9Very high95.9Very high60 Ų6034.6 Ų34.626%0.26120%0.202SC..THydrogen-bonded Turntrans-62.6-30.1-170.5-179.1174.4177.2165.40113.9Q49 L50 G55 I86 F110Q49-K53 WeakPolarHBondContact O-CB 3.04Å; Q49-K53 PolarHBondContact O-N 3.38Å; L50-K53 HydrophobicContact CD2-CD 4.23Å; L50-K53 WeakPolarHBondContact O-CB 3.43Å; L50-K53 PolarHBondContact O-N 2.76Å; K53-G55 PolarHBondContact O-N 3.26Å; K53-I86 WeakPolarHBondContact O-CD1 3.41Å; K53-F110 HydrophobicContact CD-CD2 4.49Å; K53-F110 WeakPolarHBondContact CE-O 3.35Å; K53-F110 HydrophobicContact CG-CD2 3.89Å; K53-F110 HydrophobicContact CG-CE2 4.22Å; K53-F110 PolarHBondContact NZ-O 3.31Å
54D95.3Very high95.9Very high46 Ų4634.9 Ų34.925%0.24619%0.193CC..THydrogen-bonded Turntrans-76.8-12.2178.264.315.9000113.5L52 I56 Q82 N85L52-D54 VanDerWaalsContact C-N 3.28Å; L52-D54 PolarHBondContact O-N 3.18Å; D54-I56 HydrophobicContact CB-CD1 4.27Å; D54-I56 HydrophobicContact CB-CG1 4.18Å; D54-I56 PolarHBondContact O-N 3.16Å; D54-I56 WeakPolarHBondContact OD1-CB 3.47Å; D54-I56 PolarHBondContact OD1-N 3.37Å; D54-Q82 HydrophobicContact CB-CG 4.09Å; D54-N85 WeakPolarHBondContact O-CB 3.47Å; D54-N85 PolarHBondContact O-ND2 2.84Å
55G96.1Very high96Very high0 Ų035.2 Ų35.20%020%0.195CC..SBendtrans70.13.4-178.300000115L52 K53 C59L52-G55 PolarHBondContact O-N 3.02Å; K53-G55 PolarHBondContact O-N 3.26Å; G55-C59 PolarHBondContact O-N 3.26Å; G55-C59 PolarHBondContact O-SG 3.46Å
56I96.9Very high96Very high34 Ų3436.9 Ų36.917%0.17419%0.193CC..Hα-helixtrans-69.8-52.7-176.3-61.5176.1000109.7M42 D54 L58 C59 E60 V73 E75M42-I56 HydrophobicContact CE-CG2 4.14Å; D54-I56 HydrophobicContact CB-CD1 4.27Å; D54-I56 HydrophobicContact CB-CG1 4.18Å; D54-I56 PolarHBondContact O-N 3.16Å; D54-I56 WeakPolarHBondContact OD1-CB 3.47Å; D54-I56 PolarHBondContact OD1-N 3.37Å; I56-L58 PolarHBondContact O-N 3.49Å; I56-C59 PolarHBondContact O-N 2.76Å; I56-C59 VanDerWaalsContact O-N 3.15Å; I56-E60 PolarHBondContact O-N 2.94Å; I56-V73 HydrophobicContact CB-CG1 4.2Å; I56-V73 HydrophobicContact CG1-CG1 4.06Å; I56-V73 HydrophobicContact CG2-CG1 4.03Å; I56-E75 HydrophobicContact CD1-CB 4.45Å; I56-E75 HydrophobicContact CD1-CG 4.3Å
57I97.8Very high96.2Very high8 Ų835.4 Ų35.44%0.04119%0.186CC..Hα-helixtrans-58.8-39178.4-61.6179.5000110.6I36 T40 M42 I44 L52 E60 L61I36-I57 HydrophobicContact CG2-CG2 3.44Å; I36-I57 VanDerWaalsContact CG2-CG2 3.44Å; T40-I57 HydrophobicContact CG2-CG2 4.3Å; M42-I57 HydrophobicContact CB-CD1 4.4Å; M42-I57 HydrophobicContact CB-CG1 4.21Å; M42-I57 HydrophobicContact CE-CG1 3.91Å; M42-I57 HydrophobicContact SD-CG1 4.16Å; I44-I57 HydrophobicContact CB-CD1 4.47Å; I44-I57 HydrophobicContact CG1-CD1 3.9Å; I44-I57 HydrophobicContact CG1-CG2 4.47Å; L52-I57 HydrophobicContact CD2-CB 4.02Å; L52-I57 HydrophobicContact CD2-CG2 3.9Å; I57-E60 PolarHBondContact O-N 2.91Å; I57-L61 VanDerWaalsContact O-CB 3.31Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 PolarHBondContact O-N 3.41Å
58L97.9Very high96.1Very high0 Ų034.9 Ų34.90%020%0.198CC..Hα-helixtrans-65.6-43.4177.9-66.3179.9000112.3L52 I56 E60 L61 I62 F89 F104 L109 L122L52-L58 HydrophobicContact CB-CG 4.5Å; L52-L58 HydrophobicContact CD1-CD2 4.37Å; L52-L58 HydrophobicContact CD2-CD2 4.05Å; L52-L58 HydrophobicContact CD2-CG 4.26Å; I56-L58 PolarHBondContact O-N 3.49Å; L58-E60 VanDerWaalsContact C-N 3.33Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.1Å; L58-I62 PolarHBondContact O-N 3.29Å; L58-F89 HydrophobicContact CB-CB 4.12Å; L58-F89 HydrophobicContact CB-CD1 4.1Å; L58-F89 HydrophobicContact CB-CD2 3.8Å; L58-F89 HydrophobicContact CB-CE1 4.46Å; L58-F89 HydrophobicContact CB-CE2 4.16Å; L58-F89 HydrophobicContact CB-CG 3.73Å; L58-F89 HydrophobicContact CB-CZ 4.47Å; L58-F89 HydrophobicContact CD1-CD1 4.1Å; L58-F89 HydrophobicContact CD1-CE1 4.34Å; L58-F89 HydrophobicContact CD2-CE1 4.26Å; L58-F89 HydrophobicContact CD2-CE2 4.46Å; L58-F89 HydrophobicContact CD2-CZ 4.14Å; L58-F89 WeakPolarHBondContact O-CD2 3.23Å; L58-F89 WeakPolarHBondContact O-CE2 3.28Å; L58-F104 HydrophobicContact CD1-CZ 4.27Å; L58-L109 HydrophobicContact CD1-CD2 3.49Å; L58-L109 VanDerWaalsContact CD1-CD2 3.49Å; L58-L122 HydrophobicContact CD2-CD2 4.08Å
59C97.8Very high96.1Very high0 Ų036.1 Ų36.10%021%0.207CC..Hα-helixtrans-64.1-40.1175.8-69.50000111.8G55 I56 I62 N63 V70 V73 N85G55-C59 PolarHBondContact O-N 3.26Å; G55-C59 PolarHBondContact O-SG 3.46Å; I56-C59 PolarHBondContact O-N 2.76Å; I56-C59 VanDerWaalsContact O-N 3.15Å; C59-I62 VanDerWaalsContact O-CG2 3.29Å; C59-I62 WeakPolarHBondContact O-CG2 3.45Å; C59-N63 WeakPolarHBondContact O-CB 3.15Å; C59-N63 PolarHBondContact O-N 3.34Å; C59-N63 VanDerWaalsContact O-N 3.13Å; C59-N63 PolarHBondContact O-ND2 3.25Å; C59-V70 HydrophobicContact CB-CB 4.32Å; C59-V70 HydrophobicContact CB-CG1 4.1Å; C59-V70 HydrophobicContact CB-CG2 4.3Å; C59-V73 HydrophobicContact CB-CB 4.44Å; C59-V73 HydrophobicContact CB-CG1 4.06Å; C59-V73 HydrophobicContact CB-CG2 3.53Å; C59-N85 PolarHBondContact SG-O 3.03Å
60E97.3Very high96.2Very high57 Ų5735.5 Ų35.527%0.26621%0.205SC..Hα-helixtrans-66.7-42176.4-172.458-159.800111.3T40 M42 I56 I57 L58 I62 N63 K64T40-E60 HydrophobicContact CG2-CB 4.45Å; T40-E60 HydrophobicContact CG2-CG 4.42Å; M42-E60 HydrophobicContact SD-CB 4.25Å; M42-E60 HydrophobicContact SD-CG 4.28Å; I56-E60 PolarHBondContact O-N 2.94Å; I57-E60 PolarHBondContact O-N 2.91Å; L58-E60 VanDerWaalsContact C-N 3.33Å; E60-I62 PolarHBondContact O-N 3.28Å; E60-N63 CarbonylContact O-C 3.32Å; E60-N63 WeakPolarHBondContact O-CB 3.26Å; E60-N63 PolarHBondContact O-N 3.06Å; E60-N63 VanDerWaalsContact O-N 3.1Å; E60-K64 WeakPolarHBondContact O-CG 3.48Å; E60-K64 PolarHBondContact O-N 3.05Å; E60-K64 WeakPolarHBondContact OE1-CE 3.33Å; E60-K64 IonicContact OE1-NZ 3.12Å; E60-K64 PolarHBondContact OE1-NZ 3.05Å; E60-K64 VanDerWaalsContact OE1-NZ 3.12Å
61L97.4Very high96Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-52.8-53.1176.2176.167.4000111.5W35 I36 V39 T40 I57 L58 N63 K64 L65 F89 L122 L125W35-L61 HydrophobicContact CH2-CD1 3.93Å; W35-L61 HydrophobicContact CH2-CD2 4.28Å; W35-L61 HydrophobicContact CH2-CG 4.49Å; W35-L61 HydrophobicContact CZ3-CD1 3.98Å; W35-L61 HydrophobicContact CZ3-CD2 3.92Å; W35-L61 HydrophobicContact CZ3-CG 4.5Å; I36-L61 HydrophobicContact CD1-CD2 4.48Å; I36-L61 HydrophobicContact CG1-CD2 4.08Å; V39-L61 HydrophobicContact CB-CD1 3.86Å; V39-L61 HydrophobicContact CG1-CD1 3.65Å; V39-L61 HydrophobicContact CG2-CD1 4.44Å; T40-L61 HydrophobicContact CG2-CB 3.76Å; T40-L61 HydrophobicContact CG2-CD1 4.14Å; I57-L61 VanDerWaalsContact O-CB 3.31Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 PolarHBondContact O-N 3.41Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.1Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 2.97Å; L61-K64 WeakPolarHBondContact O-CB 3.42Å; L61-K64 PolarHBondContact O-N 3.38Å; L61-L65 HydrophobicContact CG-CD1 4.43Å; L61-L65 WeakPolarHBondContact O-CG 3.32Å; L61-L65 PolarHBondContact O-N 3.36Å; L61-F89 HydrophobicContact CD2-CE2 4.49Å; L61-L122 HydrophobicContact CD2-CD2 4.5Å; L61-L125 HydrophobicContact CD2-CD2 4.28Å
62I97.5Very high95.9Very high0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-69.4-29.2-179.1-165.753.7000112.4L58 C59 E60 L65 Q66 V70 F89 A92 I93 Y96L58-I62 PolarHBondContact O-N 3.29Å; C59-I62 VanDerWaalsContact O-CG2 3.29Å; C59-I62 WeakPolarHBondContact O-CG2 3.45Å; E60-I62 PolarHBondContact O-N 3.28Å; I62-L65 HydrophobicContact CD1-CB 4.29Å; I62-L65 HydrophobicContact CD1-CD1 4.39Å; I62-L65 PolarHBondContact O-N 2.92Å; I62-Q66 CarbonylContact O-C 3.51Å; I62-Q66 PolarHBondContact O-N 2.96Å; I62-Q66 VanDerWaalsContact O-O 3.09Å; I62-V70 HydrophobicContact CG2-CG2 3.76Å; I62-F89 HydrophobicContact CB-CD2 3.97Å; I62-F89 HydrophobicContact CB-CE2 4.06Å; I62-F89 HydrophobicContact CG2-CD2 3.9Å; I62-F89 HydrophobicContact CG2-CE2 4.48Å; I62-A92 HydrophobicContact CB-CB 4.44Å; I62-A92 HydrophobicContact CG1-CB 3.75Å; I62-A92 HydrophobicContact CG2-CB 3.9Å; I62-I93 HydrophobicContact CD1-CG2 3.93Å; I62-I93 HydrophobicContact CG1-CG2 4.12Å; I62-Y96 HydrophobicContact CD1-CD1 4.44Å; I62-Y96 HydrophobicContact CD1-CD2 4.18Å; I62-Y96 HydrophobicContact CD1-CG 4.02Å
63N97Very high95.9Very high28 Ų2849 Ų4915%0.1526%0.258CS..Hα-helixtrans-68.1-32.6172.6-83.2-21.6000112.8C59 E60 L61 Q66 P67 S69 V70C59-N63 WeakPolarHBondContact O-CB 3.15Å; C59-N63 PolarHBondContact O-N 3.34Å; C59-N63 VanDerWaalsContact O-N 3.13Å; C59-N63 PolarHBondContact O-ND2 3.25Å; E60-N63 CarbonylContact O-C 3.32Å; E60-N63 WeakPolarHBondContact O-CB 3.26Å; E60-N63 PolarHBondContact O-N 3.06Å; E60-N63 VanDerWaalsContact O-N 3.1Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 2.97Å; N63-Q66 CarbonylContact O-C 3.55Å; N63-P67 VanDerWaalsContact O-CA 3.26Å; N63-P67 WeakPolarHBondContact O-CA 3.46Å; N63-S69 PolarHBondContact OD1-N 3.41Å; N63-S69 VanDerWaalsContact OD1-N 3.15Å; N63-V70 PolarHBondContact ND2-O 3.24Å; N63-V70 PolarHBondContact OD1-N 3.38Å; N63-V70 PolarHBondContact OD1-O 3.41Å
64K95.9Very high95.8Very high96 Ų9647.6 Ų47.642%0.41725%0.253SS..Hα-helixtrans-69.7-41.5171.7-66.3-65.9-172-155.50112V39 E60 L61V39-K64 HydrophobicContact CG1-CB 3.68Å; V39-K64 HydrophobicContact CG1-CG 4.28Å; V39-K64 WeakPolarHBondContact O-CG 3.17Å; E60-K64 WeakPolarHBondContact O-CG 3.48Å; E60-K64 PolarHBondContact O-N 3.05Å; E60-K64 WeakPolarHBondContact OE1-CE 3.33Å; E60-K64 IonicContact OE1-NZ 3.12Å; E60-K64 PolarHBondContact OE1-NZ 3.05Å; E60-K64 VanDerWaalsContact OE1-NZ 3.12Å; L61-K64 WeakPolarHBondContact O-CB 3.42Å; L61-K64 PolarHBondContact O-N 3.38Å
65L95Very high95.7Very high16 Ų1653.6 Ų53.68%0.08428%0.28CS..Hα-helixtrans-70.7-39.9178.7-64.1-179.5000112.4W35 V39 L61 I62 Y96 L125 A129 F134W35-L65 HydrophobicContact CH2-CD1 4.19Å; W35-L65 HydrophobicContact CZ2-CD2 4.47Å; V39-L65 HydrophobicContact CG1-CD2 4.3Å; L61-L65 HydrophobicContact CG-CD1 4.43Å; L61-L65 WeakPolarHBondContact O-CG 3.32Å; L61-L65 PolarHBondContact O-N 3.36Å; I62-L65 HydrophobicContact CD1-CB 4.29Å; I62-L65 HydrophobicContact CD1-CD1 4.39Å; I62-L65 PolarHBondContact O-N 2.92Å; L65-Y96 HydrophobicContact CB-CE2 4.35Å; L65-L125 HydrophobicContact CD1-CD1 4.33Å; L65-L125 HydrophobicContact CD1-CD2 4.29Å; L65-L125 HydrophobicContact CD1-CG 4.18Å; L65-A129 HydrophobicContact CD1-CB 4.21Å; L65-A129 HydrophobicContact CD2-CB 3.89Å; L65-F134 HydrophobicContact CD2-CB 4.47Å; L65-F134 HydrophobicContact CD2-CD1 3.74Å; L65-F134 HydrophobicContact CD2-CD2 3.94Å; L65-F134 HydrophobicContact CD2-CE1 3.89Å; L65-F134 HydrophobicContact CD2-CE2 4.07Å; L65-F134 HydrophobicContact CD2-CG 3.77Å; L65-F134 HydrophobicContact CD2-CZ 4.05Å
66Q94.6Very high95.5Very high70 Ų7055.9 Ų55.933%0.32730%0.296SS..SBendtrans-141.4102.6176.8-177.1178.1-70.100109.4I62 N63 G68 S69 Y96I62-Q66 CarbonylContact O-C 3.51Å; I62-Q66 PolarHBondContact O-N 2.96Å; I62-Q66 VanDerWaalsContact O-O 3.09Å; N63-Q66 CarbonylContact O-C 3.55Å; Q66-G68 PolarHBondContact O-N 2.73Å; Q66-S69 WeakPolarHBondContact CB-OG 3.45Å; Q66-S69 WeakPolarHBondContact CG-OG 3.47Å; Q66-S69 PolarHBondContact NE2-OG 2.89Å; Q66-S69 WeakPolarHBondContact O-CB 3.48Å; Q66-S69 PolarHBondContact O-N 3.42Å; Q66-S69 PolarHBondContact O-OG 2.7Å; Q66-Y96 HydrophobicContact CB-CD2 3.77Å; Q66-Y96 HydrophobicContact CB-CE2 3.82Å; Q66-Y96 HydrophobicContact CG-CD2 4.41Å; Q66-Y96 VanDerWaalsContact OE1-CD2 3.25Å
67P94.9Very high95.2Very high113 Ų11359.2 Ų59.273%0.73432%0.322SS*.THydrogen-bonded Turntrans-54.9135.8-179.5-28.735.9000113N63N63-P67 VanDerWaalsContact O-CA 3.26Å; N63-P67 WeakPolarHBondContact O-CA 3.46Å
68G93Very high95Very high63 Ų6364.1 Ų64.165%0.64935%0.348SS*.THydrogen-bonded Turntrans80.411.2178.400000115.3Q66Q66-G68 PolarHBondContact O-N 2.73Å
69S95.4Very high94.8Very high29 Ų2968.1 Ų68.120%0.20337%0.369CS..SBendtrans-65.1-42.5178.3-69.40000113.1N63 Q66N63-S69 PolarHBondContact OD1-N 3.41Å; N63-S69 VanDerWaalsContact OD1-N 3.15Å; Q66-S69 WeakPolarHBondContact CB-OG 3.45Å; Q66-S69 WeakPolarHBondContact CG-OG 3.47Å; Q66-S69 PolarHBondContact NE2-OG 2.89Å; Q66-S69 WeakPolarHBondContact O-CB 3.48Å; Q66-S69 PolarHBondContact O-N 3.42Å; Q66-S69 PolarHBondContact O-OG 2.7Å
70V96.4Very high94.7Very high10 Ų1076.5 Ų76.56%0.06140%0.401CS..SBendtrans-119.6114.6175-179.80000108.7C59 I62 N63 V73 N88 A92C59-V70 HydrophobicContact CB-CB 4.32Å; C59-V70 HydrophobicContact CB-CG1 4.1Å; C59-V70 HydrophobicContact CB-CG2 4.3Å; I62-V70 HydrophobicContact CG2-CG2 3.76Å; N63-V70 PolarHBondContact ND2-O 3.24Å; N63-V70 PolarHBondContact OD1-N 3.38Å; N63-V70 PolarHBondContact OD1-O 3.41Å; V70-V73 HydrophobicContact CG1-CG2 4.04Å; V70-N88 HydrophobicContact CG1-CB 4.18Å; V70-N88 HydrophobicContact CG2-CB 4.4Å; V70-A92 HydrophobicContact CG2-CB 4.02Å
71K92.4Very high94.6Very high211 Ų21174.5 Ų74.592%0.91739%0.393SS*.SBendtrans-72.8-36.3-173.8-63.9-177.2-179.1-179.70113.7
72K93Very high94.5Very high151 Ų15175.9 Ų75.966%0.65740%0.399SS*.  trans-142.9127.1-176.2-175.4-179.2177.1-1730108.9
73V95.4Very high94.4Very high38 Ų3878.3 Ų78.323%0.2341%0.412CS..  trans-106132.4174.1-173.20000107.6I56 C59 V70I56-V73 HydrophobicContact CB-CG1 4.2Å; I56-V73 HydrophobicContact CG1-CG1 4.06Å; I56-V73 HydrophobicContact CG2-CG1 4.03Å; C59-V73 HydrophobicContact CB-CB 4.44Å; C59-V73 HydrophobicContact CB-CG1 4.06Å; C59-V73 HydrophobicContact CB-CG2 3.53Å; V70-V73 HydrophobicContact CG1-CG2 4.04Å
74N94.2Very high94.4Very high30 Ų3080.2 Ų80.216%0.1642%0.42CS..  trans-92.9129.2179.1-61.6-60.7000110.4P81 E84 N85N74-P81 HydrophobicContact CB-CB 3.87Å; N74-E84 PolarHBondContact ND2-OE2 3.37Å; N74-N85 PolarHBondContact N-OD1 3.19Å; N74-N85 PolarHBondContact ND2-OD1 3.06Å; N74-N85 PolarHBondContact O-ND2 3.14Å
75E93.4Very high94.5Very high171 Ų17175.7 Ų75.780%0.79940%0.4SS*.  trans-98.510.5179.3-62.2176.6-172.600113.1I56I56-E75 HydrophobicContact CD1-CB 4.45Å; I56-E75 HydrophobicContact CD1-CG 4.3Å
76S92.3Very high94.6Very high48 Ų4875 Ų7534%0.33640%0.396SS..  trans-70.2140.3-178.3-177.10000111.3L78S76-L78 PolarHBondContact O-N 3.35Å; S76-L78 WeakPolarHBondContact OG-CG 3.5Å; S76-L78 PolarHBondContact OG-N 2.64Å
77S90.6Very high94.7Very high104 Ų10472.6 Ų72.673%0.72739%0.391SS*.  trans-77.43.6175.366.20000114.1
78L93.4Very high94.8Very high111 Ų11169.1 Ų69.158%0.58137%0.366SS*.SBendtrans-79.3149.1179.1-62.4175.2000110.9S76 W80 P81 Q82S76-L78 PolarHBondContact O-N 3.35Å; S76-L78 WeakPolarHBondContact OG-CG 3.5Å; S76-L78 PolarHBondContact OG-N 2.64Å; L78-W80 PolarHBondContact O-N 3.39Å; L78-P81 HydrophobicContact CB-CG 4.03Å; L78-P81 VanDerWaalsContact O-CD 3.29Å; L78-P81 WeakPolarHBondContact O-CD 3.41Å; L78-Q82 WeakPolarHBondContact O-CG 3.49Å; L78-Q82 PolarHBondContact O-N 3.31Å
79N94.2Very high95.1Very high84 Ų8466.1 Ų66.145%0.44934%0.335SS..Hα-helixtrans-62.4-40.1-176.7-63.90.2000113.5Q82 L83 F110N79-Q82 PolarHBondContact O-N 3.21Å; N79-L83 PolarHBondContact O-N 3.29Å; N79-F110 HydrophobicContact CB-CE1 4.42Å; N79-F110 HydrophobicContact CB-CZ 3.71Å
80W94.5Very high95.2Very high176 Ų17666.1 Ų66.167%0.66733%0.333SS*.Hα-helixtrans-66.7-47-176179.296.6000112.9L78 Q82 L83 E84L78-W80 PolarHBondContact O-N 3.39Å; W80-Q82 VanDerWaalsContact C-N 3.31Å; W80-Q82 PolarHBondContact O-N 3.11Å; W80-L83 PolarHBondContact O-N 2.82Å; W80-E84 VanDerWaalsContact CH2-CD 3.45Å; W80-E84 HydrophobicContact CH2-CG 4.4Å; W80-E84 WeakPolarHBondContact CH2-OE2 3.46Å; W80-E84 HydrophobicContact CZ3-CB 4.45Å; W80-E84 WeakPolarHBondContact CZ3-OE2 3.35Å; W80-E84 PolarHBondContact O-N 3.19Å
81P95.3Very high95.2Very high16 Ų1672.1 Ų72.110%0.10436%0.358CS..Hα-helixtrans-59.2-36.7172.7-2835.7000114.5N74 L78 E84 N85N74-P81 HydrophobicContact CB-CB 3.87Å; L78-P81 HydrophobicContact CB-CG 4.03Å; L78-P81 VanDerWaalsContact O-CD 3.29Å; L78-P81 WeakPolarHBondContact O-CD 3.41Å; P81-E84 WeakPolarHBondContact O-CB 3.4Å; P81-E84 PolarHBondContact O-N 3.12Å; P81-N85 PolarHBondContact O-N 3.22Å
82Q95.6Very high95.4Very high29 Ų2962.4 Ų62.414%0.13632%0.317CS..Hα-helixtrans-64.7-46.4176.7-67.6178-13.600111.3D54 L78 N79 W80 E84 N85 I86 F110D54-Q82 HydrophobicContact CB-CG 4.09Å; L78-Q82 WeakPolarHBondContact O-CG 3.49Å; L78-Q82 PolarHBondContact O-N 3.31Å; N79-Q82 PolarHBondContact O-N 3.21Å; W80-Q82 VanDerWaalsContact C-N 3.31Å; W80-Q82 PolarHBondContact O-N 3.11Å; Q82-E84 VanDerWaalsContact C-N 3.29Å; Q82-E84 PolarHBondContact O-N 3.48Å; Q82-N85 PolarHBondContact O-N 3.01Å; Q82-I86 WeakPolarHBondContact O-CG1 3.35Å; Q82-I86 PolarHBondContact O-N 3.45Å; Q82-I86 VanDerWaalsContact O-N 3.1Å; Q82-F110 HydrophobicContact CB-CD2 4.42Å; Q82-F110 HydrophobicContact CB-CE2 3.94Å
83L95.9Very high95.6Very high50 Ų5055.2 Ų55.226%0.26229%0.285SS..Hα-helixtrans-61.4-37.3173.1-76.7168.8000112.3N79 W80 I86 G87 A106 F110N79-L83 PolarHBondContact O-N 3.29Å; W80-L83 PolarHBondContact O-N 2.82Å; L83-I86 PolarHBondContact O-N 3.02Å; L83-G87 PolarHBondContact O-N 3.38Å; L83-A106 HydrophobicContact CD2-CB 3.98Å; L83-F110 HydrophobicContact CD1-CD1 4.46Å; L83-F110 HydrophobicContact CD1-CE1 4.49Å; L83-F110 HydrophobicContact CD2-CB 3.64Å; L83-F110 HydrophobicContact CD2-CD1 3.99Å; L83-F110 HydrophobicContact CD2-CD2 4.01Å; L83-F110 HydrophobicContact CD2-CG 3.6Å; L83-F110 HydrophobicContact CG-CD1 4.26Å; L83-F110 HydrophobicContact CG-CD2 4.06Å; L83-F110 HydrophobicContact CG-CE2 4.31Å; L83-F110 HydrophobicContact CG-CG 4.04Å
84E96.7Very high95.7Very high69 Ų6958 Ų5832%0.32230%0.296SS..Hα-helixtrans-63-44.2175.8-173.4179.4-147.900111.6N74 W80 P81 Q82 G87 N88N74-E84 PolarHBondContact ND2-OE2 3.37Å; W80-E84 VanDerWaalsContact CH2-CD 3.45Å; W80-E84 HydrophobicContact CH2-CG 4.4Å; W80-E84 WeakPolarHBondContact CH2-OE2 3.46Å; W80-E84 HydrophobicContact CZ3-CB 4.45Å; W80-E84 WeakPolarHBondContact CZ3-OE2 3.35Å; W80-E84 PolarHBondContact O-N 3.19Å; P81-E84 WeakPolarHBondContact O-CB 3.4Å; P81-E84 PolarHBondContact O-N 3.12Å; Q82-E84 VanDerWaalsContact C-N 3.29Å; Q82-E84 PolarHBondContact O-N 3.48Å; E84-G87 PolarHBondContact O-N 3.5Å; E84-N88 WeakPolarHBondContact O-CB 3.18Å; E84-N88 PolarHBondContact O-N 3.37Å; E84-N88 PolarHBondContact O-ND2 3.29Å
85N97.4Very high95.8Very high1 Ų160.4 Ų60.41%0.00532%0.32CS..Hα-helixtrans-59.4-48.2175.3-70-20.5000111.6D54 C59 N74 P81 Q82 G87 N88 F89D54-N85 WeakPolarHBondContact O-CB 3.47Å; D54-N85 PolarHBondContact O-ND2 2.84Å; C59-N85 PolarHBondContact SG-O 3.03Å; N74-N85 PolarHBondContact N-OD1 3.19Å; N74-N85 PolarHBondContact ND2-OD1 3.06Å; N74-N85 PolarHBondContact O-ND2 3.14Å; P81-N85 PolarHBondContact O-N 3.22Å; Q82-N85 PolarHBondContact O-N 3.01Å; N85-G87 VanDerWaalsContact C-N 3.29Å; N85-G87 PolarHBondContact O-N 2.93Å; N85-N88 WeakPolarHBondContact O-CB 3.34Å; N85-N88 PolarHBondContact O-N 3.24Å; N85-N88 VanDerWaalsContact O-N 3.14Å; N85-F89 PolarHBondContact O-N 2.93Å
86I97.6Very high95.9Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-59.9-43.3177.2-60.9167.4000110.4K53 Q82 L83 N88 F89 I90 F104 A106 L109 F110K53-I86 WeakPolarHBondContact O-CD1 3.41Å; Q82-I86 WeakPolarHBondContact O-CG1 3.35Å; Q82-I86 PolarHBondContact O-N 3.45Å; Q82-I86 VanDerWaalsContact O-N 3.1Å; L83-I86 PolarHBondContact O-N 3.02Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.9Å; I86-F89 WeakPolarHBondContact O-CB 3.4Å; I86-F89 PolarHBondContact O-N 3.41Å; I86-I90 HydrophobicContact CG2-CD1 3.96Å; I86-I90 WeakPolarHBondContact O-CG1 3.37Å; I86-I90 PolarHBondContact O-N 3.32Å; I86-F104 HydrophobicContact CG2-CE2 3.68Å; I86-F104 HydrophobicContact CG2-CZ 4.13Å; I86-A106 HydrophobicContact CB-CB 4.33Å; I86-A106 HydrophobicContact CG2-CB 3.91Å; I86-L109 HydrophobicContact CD1-CD2 4.06Å; I86-L109 HydrophobicContact CD1-CG 4.34Å; I86-L109 HydrophobicContact CG1-CD2 4.23Å; I86-F110 HydrophobicContact CD1-CB 4.15Å; I86-F110 HydrophobicContact CD1-CD2 4.33Å
87G97.1Very high95.9Very high20 Ų2052.6 Ų52.621%0.20629%0.29CS..Hα-helixtrans-62.4-37.3175.900000113.4L83 E84 N85 I90 K91L83-G87 PolarHBondContact O-N 3.38Å; E84-G87 PolarHBondContact O-N 3.5Å; N85-G87 VanDerWaalsContact C-N 3.29Å; N85-G87 PolarHBondContact O-N 2.93Å; G87-I90 PolarHBondContact O-N 2.83Å; G87-K91 WeakPolarHBondContact O-CG 3.23Å; G87-K91 PolarHBondContact O-N 3.33Å; G87-K91 VanDerWaalsContact O-N 3.11Å
88N97.7Very high96.1Very high40 Ų4048 Ų4821%0.21426%0.258CS..Hα-helixtrans-67.3-41.6175.5-71.8-24.5000111.6V70 E84 N85 I86 K91 A92V70-N88 HydrophobicContact CG1-CB 4.18Å; V70-N88 HydrophobicContact CG2-CB 4.4Å; E84-N88 WeakPolarHBondContact O-CB 3.18Å; E84-N88 PolarHBondContact O-N 3.37Å; E84-N88 PolarHBondContact O-ND2 3.29Å; N85-N88 WeakPolarHBondContact O-CB 3.34Å; N85-N88 PolarHBondContact O-N 3.24Å; N85-N88 VanDerWaalsContact O-N 3.14Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.9Å; N88-K91 PolarHBondContact O-N 3.05Å; N88-A92 WeakPolarHBondContact O-CB 3.46Å; N88-A92 PolarHBondContact O-N 3.36Å
89F98.1Very high96Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-59.5-48.1172.5171-103.8000112.1L58 L61 I62 N85 I86 K91 A92 I93 F104 L122 L125L58-F89 HydrophobicContact CB-CB 4.12Å; L58-F89 HydrophobicContact CB-CD1 4.1Å; L58-F89 HydrophobicContact CB-CD2 3.8Å; L58-F89 HydrophobicContact CB-CE1 4.46Å; L58-F89 HydrophobicContact CB-CE2 4.16Å; L58-F89 HydrophobicContact CB-CG 3.73Å; L58-F89 HydrophobicContact CB-CZ 4.47Å; L58-F89 HydrophobicContact CD1-CD1 4.1Å; L58-F89 HydrophobicContact CD1-CE1 4.34Å; L58-F89 HydrophobicContact CD2-CE1 4.26Å; L58-F89 HydrophobicContact CD2-CE2 4.46Å; L58-F89 HydrophobicContact CD2-CZ 4.14Å; L58-F89 WeakPolarHBondContact O-CD2 3.23Å; L58-F89 WeakPolarHBondContact O-CE2 3.28Å; L61-F89 HydrophobicContact CD2-CE2 4.49Å; I62-F89 HydrophobicContact CB-CD2 3.97Å; I62-F89 HydrophobicContact CB-CE2 4.06Å; I62-F89 HydrophobicContact CG2-CD2 3.9Å; I62-F89 HydrophobicContact CG2-CE2 4.48Å; N85-F89 PolarHBondContact O-N 2.93Å; I86-F89 WeakPolarHBondContact O-CB 3.4Å; I86-F89 PolarHBondContact O-N 3.41Å; F89-K91 VanDerWaalsContact C-N 3.32Å; F89-K91 PolarHBondContact O-N 2.97Å; F89-A92 WeakPolarHBondContact O-CB 3.5Å; F89-A92 PolarHBondContact O-N 3.44Å; F89-I93 HydrophobicContact CD1-CD1 4.41Å; F89-I93 HydrophobicContact CD2-CG2 3.93Å; F89-I93 HydrophobicContact CE1-CD1 3.87Å; F89-I93 HydrophobicContact CE1-CG2 4.05Å; F89-I93 HydrophobicContact CE2-CG2 3.45Å; F89-I93 VanDerWaalsContact CE2-CG2 3.45Å; F89-I93 HydrophobicContact CG-CG2 4.46Å; F89-I93 HydrophobicContact CZ-CD1 4.26Å; F89-I93 HydrophobicContact CZ-CG2 3.52Å; F89-I93 PolarHBondContact O-N 3.14Å; F89-F104 HydrophobicContact CD1-CE1 4.28Å; F89-F104 HydrophobicContact CD1-CZ 4.09Å; F89-F104 AromaticContact CE1-CE1 3.82Å; F89-F104 HydrophobicContact CE1-CE1 3.82Å; F89-F104 HydrophobicContact CE1-CZ 4.06Å; F89-L122 HydrophobicContact CE1-CD2 4.41Å; F89-L122 HydrophobicContact CZ-CD2 4Å; F89-L125 HydrophobicContact CE2-CD2 4.11Å; F89-L125 HydrophobicContact CZ-CD2 3.83Å
90I97.6Very high95.9Very high30 Ų3048.6 Ų48.615%0.15426%0.261CS..Hα-helixtrans-55.3-46.9177.7-75.1165.5000111.3I86 G87 A92 I93 Q94 I103 F104 A106I86-I90 HydrophobicContact CG2-CD1 3.96Å; I86-I90 WeakPolarHBondContact O-CG1 3.37Å; I86-I90 PolarHBondContact O-N 3.32Å; G87-I90 PolarHBondContact O-N 2.83Å; I90-A92 VanDerWaalsContact C-N 3.33Å; I90-A92 PolarHBondContact O-N 3.29Å; I90-I93 WeakPolarHBondContact O-CG1 2.98Å; I90-Q94 PolarHBondContact O-N 3.44Å; I90-Q94 VanDerWaalsContact O-N 3.15Å; I90-I103 HydrophobicContact CB-CG2 4.42Å; I90-I103 HydrophobicContact CG1-CG2 4.17Å; I90-I103 HydrophobicContact CG2-CG2 3.83Å; I90-F104 HydrophobicContact CD1-CD2 4.37Å; I90-F104 HydrophobicContact CD1-CE2 4.11Å; I90-F104 VanDerWaalsContact CD1-O 3.29Å; I90-F104 WeakPolarHBondContact CD1-O 3.5Å; I90-F104 HydrophobicContact CG1-CE2 4.39Å; I90-F104 HydrophobicContact CG1-CZ 4.38Å; I90-A106 HydrophobicContact CD1-CB 4.35Å
91K97Very high95.7Very high136 Ų13646.3 Ų46.359%0.59126%0.258SS*.Hα-helixtrans-62.7-40.3176.3-70.3170.7-174.1169.60111.9G87 N88 F89 Q94 A95G87-K91 WeakPolarHBondContact O-CG 3.23Å; G87-K91 PolarHBondContact O-N 3.33Å; G87-K91 VanDerWaalsContact O-N 3.11Å; N88-K91 PolarHBondContact O-N 3.05Å; F89-K91 VanDerWaalsContact C-N 3.32Å; F89-K91 PolarHBondContact O-N 2.97Å; K91-Q94 PolarHBondContact O-N 3.02Å; K91-A95 PolarHBondContact O-N 3.5Å; K91-A95 VanDerWaalsContact O-N 3.08Å
92A97.4Very high95.5Very high6 Ų647.6 Ų47.65%0.0526%0.264CS..Hα-helixtrans-66.7-44.4-179.500000112.5I62 V70 N88 F89 I90 Q94 A95 Y96I62-A92 HydrophobicContact CB-CB 4.44Å; I62-A92 HydrophobicContact CG1-CB 3.75Å; I62-A92 HydrophobicContact CG2-CB 3.9Å; V70-A92 HydrophobicContact CG2-CB 4.02Å; N88-A92 WeakPolarHBondContact O-CB 3.46Å; N88-A92 PolarHBondContact O-N 3.36Å; F89-A92 WeakPolarHBondContact O-CB 3.5Å; F89-A92 PolarHBondContact O-N 3.44Å; I90-A92 VanDerWaalsContact C-N 3.33Å; I90-A92 PolarHBondContact O-N 3.29Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 2.88Å; A92-A95 CarbonylContact O-C 3.59Å; A92-A95 PolarHBondContact O-N 2.95Å; A92-Y96 WeakPolarHBondContact O-CB 3.47Å; A92-Y96 PolarHBondContact O-N 3.49Å
93I97.1Very high95.5Very high0 Ų047.3 Ų47.30%026%0.263CS..Hα-helixtrans-68.7-31.3178.164173.4000112.1I62 F89 I90 Y96 G97 M98 I103 T121 L125I62-I93 HydrophobicContact CD1-CG2 3.93Å; I62-I93 HydrophobicContact CG1-CG2 4.12Å; F89-I93 HydrophobicContact CD1-CD1 4.41Å; F89-I93 HydrophobicContact CD2-CG2 3.93Å; F89-I93 HydrophobicContact CE1-CD1 3.87Å; F89-I93 HydrophobicContact CE1-CG2 4.05Å; F89-I93 HydrophobicContact CE2-CG2 3.45Å; F89-I93 VanDerWaalsContact CE2-CG2 3.45Å; F89-I93 HydrophobicContact CG-CG2 4.46Å; F89-I93 HydrophobicContact CZ-CD1 4.26Å; F89-I93 HydrophobicContact CZ-CG2 3.52Å; F89-I93 PolarHBondContact O-N 3.14Å; I90-I93 WeakPolarHBondContact O-CG1 2.98Å; I93-Y96 WeakPolarHBondContact O-CB 3.17Å; I93-Y96 PolarHBondContact O-N 3.19Å; I93-G97 PolarHBondContact O-N 3.39Å; I93-M98 HydrophobicContact CB-CB 4.46Å; I93-M98 HydrophobicContact CB-CG 4.02Å; I93-M98 HydrophobicContact CG1-CG 4.44Å; I93-M98 VanDerWaalsContact O-CB 3.27Å; I93-M98 WeakPolarHBondContact O-CB 3.38Å; I93-M98 PolarHBondContact O-N 3.5Å; I93-I103 HydrophobicContact CD1-CD1 4.49Å; I93-I103 HydrophobicContact CD1-CG1 4.08Å; I93-I103 HydrophobicContact CD1-CG2 3.91Å; I93-I103 HydrophobicContact CG1-CD1 4.31Å; I93-I103 HydrophobicContact CG1-CG1 4.43Å; I93-T121 HydrophobicContact CD1-CG2 3.75Å; I93-L125 HydrophobicContact CB-CD1 4.32Å; I93-L125 HydrophobicContact CG2-CD1 3.97Å; I93-L125 HydrophobicContact CG2-CD2 3.83Å
94Q96.3Very high95.5Very high98 Ų9845 Ų4546%0.45825%0.251SS..Hα-helixtrans-63.6-45.4171.7-169.4178.410.200110.9I90 K91 A92 Y96 G97 I103I90-Q94 PolarHBondContact O-N 3.44Å; I90-Q94 VanDerWaalsContact O-N 3.15Å; K91-Q94 PolarHBondContact O-N 3.02Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 2.88Å; Q94-Y96 PolarHBondContact O-N 3.03Å; Q94-G97 PolarHBondContact O-N 3.25Å; Q94-G97 VanDerWaalsContact O-N 3.1Å; Q94-I103 HydrophobicContact CB-CD1 3.9Å; Q94-I103 HydrophobicContact CG-CD1 4.23Å
95A95.9Very high95.5Very high80 Ų8048 Ų4866%0.66127%0.265SS*.Hα-helixtrans-65.4-29173.300000112.6K91 A92 G97K91-A95 PolarHBondContact O-N 3.5Å; K91-A95 VanDerWaalsContact O-N 3.08Å; A92-A95 CarbonylContact O-C 3.59Å; A92-A95 PolarHBondContact O-N 2.95Å; A95-G97 PolarHBondContact O-N 2.9Å
96Y95.5Very high95.4Very high7 Ų749.1 Ų49.13%0.02727%0.274CS..Hα-helixtrans-69-17.6174-166.9-110.9000112.7I62 L65 Q66 A92 I93 Q94 L125 L128 K132I62-Y96 HydrophobicContact CD1-CD1 4.44Å; I62-Y96 HydrophobicContact CD1-CD2 4.18Å; I62-Y96 HydrophobicContact CD1-CG 4.02Å; L65-Y96 HydrophobicContact CB-CE2 4.35Å; Q66-Y96 HydrophobicContact CB-CD2 3.77Å; Q66-Y96 HydrophobicContact CB-CE2 3.82Å; Q66-Y96 HydrophobicContact CG-CD2 4.41Å; Q66-Y96 VanDerWaalsContact OE1-CD2 3.25Å; A92-Y96 WeakPolarHBondContact O-CB 3.47Å; A92-Y96 PolarHBondContact O-N 3.49Å; I93-Y96 WeakPolarHBondContact O-CB 3.17Å; I93-Y96 PolarHBondContact O-N 3.19Å; Q94-Y96 PolarHBondContact O-N 3.03Å; Y96-L125 HydrophobicContact CD1-CD1 3.72Å; Y96-L125 HydrophobicContact CE1-CD1 4.04Å; Y96-L128 HydrophobicContact CD1-CD2 3.69Å; Y96-L128 HydrophobicContact CD1-CG 4.12Å; Y96-L128 HydrophobicContact CE1-CD2 4.12Å; Y96-L128 HydrophobicContact CE1-CG 4.04Å; Y96-K132 HydrophobicContact CE1-CD 4.24Å; Y96-K132 HydrophobicContact CE2-CD 3.78Å; Y96-K132 VanDerWaalsContact CE2-NZ 3.3Å; Y96-K132 VanDerWaalsContact O-CE 3.25Å; Y96-K132 WeakPolarHBondContact O-CE 3.28Å; Y96-K132 PolarHBondContact O-NZ 2.92Å
97G93.7Very high95.2Very high47 Ų4752.9 Ų52.949%0.48529%0.294SS..THydrogen-bonded Turntrans117.17.9175.300000114.7I93 Q94 A95I93-G97 PolarHBondContact O-N 3.39Å; Q94-G97 PolarHBondContact O-N 3.25Å; Q94-G97 VanDerWaalsContact O-N 3.1Å; A95-G97 PolarHBondContact O-N 2.9Å
98M94.4Very high95.2Very high8 Ų853.1 Ų53.14%0.03929%0.291CS..  trans-64.5140.7169.4-72.9-65.5-69.800110.6I93 D102 I103 T121 A124 L125 L128I93-M98 HydrophobicContact CB-CB 4.46Å; I93-M98 HydrophobicContact CB-CG 4.02Å; I93-M98 HydrophobicContact CG1-CG 4.44Å; I93-M98 VanDerWaalsContact O-CB 3.27Å; I93-M98 WeakPolarHBondContact O-CB 3.38Å; I93-M98 PolarHBondContact O-N 3.5Å; M98-D102 HydrophobicContact CE-CB 3.86Å; M98-I103 HydrophobicContact CB-CD1 3.82Å; M98-I103 HydrophobicContact CB-CG1 3.89Å; M98-T121 HydrophobicContact CE-CG2 4.05Å; M98-A124 HydrophobicContact CE-CB 3.64Å; M98-A124 HydrophobicContact SD-CB 4.22Å; M98-L125 HydrophobicContact CG-CD1 4.29Å; M98-L125 HydrophobicContact SD-CB 4.42Å; M98-L128 HydrophobicContact CG-CD2 4Å; M98-L128 HydrophobicContact SD-CD2 3.92Å
99K91.4Very high95.1Very high112 Ų11251.2 Ų51.249%0.48728%0.281SS..  trans-79.7143.6177.2-58.2-178.1-170.7167.70109.8H101 D102 I103K99-H101 VanDerWaalsContact CB-CE1 3.41Å; K99-H101 WeakPolarHBondContact CB-CE1 3.19Å; K99-H101 WeakPolarHBondContact CD-CE1 3.25Å; K99-H101 WeakPolarHBondContact CD-NE2 3.35Å; K99-H101 PolarHBondContact O-N 2.96Å; K99-D102 PolarHBondContact O-N 3.43Å; K99-I103 WeakPolarHBondContact O-CG1 3.45Å
100P91.6Very high95Very high95 Ų9552 Ų5262%0.61728%0.284SS*.G310 helixtrans-56.5-29.1-177.3-27.534.7000115.3D102P100-D102 VanDerWaalsContact C-N 3.33Å
101H90.3Very high94.8Very high129 Ų12954.5 Ų54.560%0.59730%0.295SS*.G310 helixtrans-78.3-16.1178.352.9-95.1000114.1K99K99-H101 VanDerWaalsContact CB-CE1 3.41Å; K99-H101 WeakPolarHBondContact CB-CE1 3.19Å; K99-H101 WeakPolarHBondContact CD-CE1 3.25Å; K99-H101 WeakPolarHBondContact CD-NE2 3.35Å; K99-H101 PolarHBondContact O-N 2.96Å
102D90.8Very high94.6Very high42 Ų4252.2 Ų52.223%0.22529%0.289CS..G310 helixtrans-96.46.5180-65-35000111.7M98 K99 P100 T121M98-D102 HydrophobicContact CE-CB 3.86Å; K99-D102 PolarHBondContact O-N 3.43Å; P100-D102 VanDerWaalsContact C-N 3.33Å; D102-T121 WeakPolarHBondContact O-CA 3.24Å; D102-T121 WeakPolarHBondContact O-CB 3.37Å; D102-T121 WeakPolarHBondContact O-CG2 3.16Å; D102-T121 PolarHBondContact O-OG1 2.92Å
103I95.8Very high94.2Very high23 Ų2353.7 Ų53.712%0.11831%0.305CS..  trans-110.1136.6-174.1-59.8168000110.3I90 I93 Q94 M98 K99I90-I103 HydrophobicContact CB-CG2 4.42Å; I90-I103 HydrophobicContact CG1-CG2 4.17Å; I90-I103 HydrophobicContact CG2-CG2 3.83Å; I93-I103 HydrophobicContact CD1-CD1 4.49Å; I93-I103 HydrophobicContact CD1-CG1 4.08Å; I93-I103 HydrophobicContact CD1-CG2 3.91Å; I93-I103 HydrophobicContact CG1-CD1 4.31Å; I93-I103 HydrophobicContact CG1-CG1 4.43Å; Q94-I103 HydrophobicContact CB-CD1 3.9Å; Q94-I103 HydrophobicContact CG-CD1 4.23Å; M98-I103 HydrophobicContact CB-CD1 3.82Å; M98-I103 HydrophobicContact CB-CG1 3.89Å; K99-I103 WeakPolarHBondContact O-CG1 3.45Å
104F96.8Very high94Very high3 Ų355.3 Ų55.31%0.01331%0.314CS..  trans-78.1160.9174.672.8-92.5000113L58 I86 F89 I90 D108 L109 Q117 V118 T121L58-F104 HydrophobicContact CD1-CZ 4.27Å; I86-F104 HydrophobicContact CG2-CE2 3.68Å; I86-F104 HydrophobicContact CG2-CZ 4.13Å; F89-F104 HydrophobicContact CD1-CE1 4.28Å; F89-F104 HydrophobicContact CD1-CZ 4.09Å; F89-F104 AromaticContact CE1-CE1 3.82Å; F89-F104 HydrophobicContact CE1-CE1 3.82Å; F89-F104 HydrophobicContact CE1-CZ 4.06Å; I90-F104 HydrophobicContact CD1-CD2 4.37Å; I90-F104 HydrophobicContact CD1-CE2 4.11Å; I90-F104 VanDerWaalsContact CD1-O 3.29Å; I90-F104 WeakPolarHBondContact CD1-O 3.5Å; I90-F104 HydrophobicContact CG1-CE2 4.39Å; I90-F104 HydrophobicContact CG1-CZ 4.38Å; F104-D108 HydrophobicContact CB-CB 4.26Å; F104-D108 HydrophobicContact CD2-CB 4.37Å; F104-L109 HydrophobicContact CD2-CB 4.3Å; F104-L109 HydrophobicContact CE2-CB 3.85Å; F104-L109 HydrophobicContact CE2-CD2 4.21Å; F104-L109 HydrophobicContact CZ-CD2 4.26Å; F104-Q117 HydrophobicContact CB-CB 4.28Å; F104-Q117 HydrophobicContact CB-CG 3.72Å; F104-V118 HydrophobicContact CB-CG2 4.06Å; F104-V118 HydrophobicContact CD1-CB 4.41Å; F104-V118 HydrophobicContact CD1-CG1 4.35Å; F104-V118 HydrophobicContact CD1-CG2 4.29Å; F104-V118 HydrophobicContact CD2-CG2 3.85Å; F104-V118 HydrophobicContact CE1-CG1 4.27Å; F104-V118 HydrophobicContact CE2-CG2 4.39Å; F104-V118 HydrophobicContact CG-CB 4.4Å; F104-V118 HydrophobicContact CG-CG2 3.84Å; F104-T121 HydrophobicContact CD1-CG2 3.79Å; F104-T121 HydrophobicContact CE1-CG2 4.3Å; F104-T121 PolarHBondContact N-OG1 3.36Å; F104-T121 VanDerWaalsContact N-OG1 3.15Å
105E95.8Very high93.9Very high131 Ų13151.6 Ų51.661%0.61230%0.297SS*.  trans-91.6151173.8-61.7-174.217300111.9N107 D108E105-N107 PolarHBondContact O-N 3.38Å; E105-D108 PolarHBondContact N-OD2 2.93Å; E105-D108 VanDerWaalsContact O-CB 3.24Å; E105-D108 WeakPolarHBondContact O-CB 3.39Å; E105-D108 PolarHBondContact O-N 3.46Å
106A95.1Very high93.9Very high24 Ų2448.4 Ų48.420%0.19827%0.269CS..Hα-helixtrans-53.7-34.1-176.900000114.2L83 I86 I90 F110L83-A106 HydrophobicContact CD2-CB 3.98Å; I86-A106 HydrophobicContact CB-CB 4.33Å; I86-A106 HydrophobicContact CG2-CB 3.91Å; I90-A106 HydrophobicContact CD1-CB 4.35Å; A106-F110 VanDerWaalsContact O-CB 3.23Å; A106-F110 WeakPolarHBondContact O-CB 3.27Å; A106-F110 PolarHBondContact O-N 3.35Å
107N94.8Very high93.9Very high79 Ų7950.5 Ų50.542%0.42228%0.279SS..Hα-helixtrans-71.8-26.9177.4-65-36.1000113.5E105 L109 F110 E111E105-N107 PolarHBondContact O-N 3.38Å; N107-L109 PolarHBondContact O-N 3.28Å; N107-F110 PolarHBondContact O-N 2.96Å; N107-E111 PolarHBondContact O-N 3.47Å
108D95.4Very high94Very high26 Ų2648.3 Ų48.314%0.13926%0.256CS..Hα-helixtrans-58.6-41.2178.3-68.4-29.1000110.7F104 E105 N112 G113 N114 V118F104-D108 HydrophobicContact CB-CB 4.26Å; F104-D108 HydrophobicContact CD2-CB 4.37Å; E105-D108 PolarHBondContact N-OD2 2.93Å; E105-D108 VanDerWaalsContact O-CB 3.24Å; E105-D108 WeakPolarHBondContact O-CB 3.39Å; E105-D108 PolarHBondContact O-N 3.46Å; D108-N112 CarbonylContact O-C 3.58Å; D108-N112 WeakPolarHBondContact O-CA 3.21Å; D108-G113 PolarHBondContact O-N 2.87Å; D108-N114 HydrophobicContact CB-CB 4.05Å; D108-N114 PolarHBondContact O-N 3.49Å; D108-N114 WeakPolarHBondContact OD1-CB 3.48Å; D108-V118 HydrophobicContact CB-CG2 4.09Å
109L96.3Very high94.1Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-83.8-49.5174.5178.659.3000111.8Q49 L52 L58 I86 F104 N107 E111 N112 M115 V118Q49-L109 HydrophobicContact CG-CD1 4.24Å; Q49-L109 PolarHBondContact NE2-O 3.46Å; L52-L109 HydrophobicContact CB-CD1 4.09Å; L52-L109 HydrophobicContact CB-CD2 4.15Å; L58-L109 HydrophobicContact CD1-CD2 3.49Å; L58-L109 VanDerWaalsContact CD1-CD2 3.49Å; I86-L109 HydrophobicContact CD1-CD2 4.06Å; I86-L109 HydrophobicContact CD1-CG 4.34Å; I86-L109 HydrophobicContact CG1-CD2 4.23Å; F104-L109 HydrophobicContact CD2-CB 4.3Å; F104-L109 HydrophobicContact CE2-CB 3.85Å; F104-L109 HydrophobicContact CE2-CD2 4.21Å; F104-L109 HydrophobicContact CZ-CD2 4.26Å; N107-L109 PolarHBondContact O-N 3.28Å; L109-E111 PolarHBondContact O-N 3.36Å; L109-N112 PolarHBondContact O-N 3.27Å; L109-M115 HydrophobicContact CD1-CE 4.41Å; L109-M115 HydrophobicContact CD1-SD 3.87Å; L109-V118 HydrophobicContact CB-CG2 3.95Å; L109-V118 HydrophobicContact CD1-CG1 4.32Å
110F95.3Very high94.3Very high15 Ų1546.3 Ų46.37%0.06625%0.253CS..Hα-helixtrans-65.9-40.5-169.4-173.4-97.3000113.7K53 N79 Q82 L83 I86 A106 N107K53-F110 HydrophobicContact CD-CD2 4.49Å; K53-F110 WeakPolarHBondContact CE-O 3.35Å; K53-F110 HydrophobicContact CG-CD2 3.89Å; K53-F110 HydrophobicContact CG-CE2 4.22Å; K53-F110 PolarHBondContact NZ-O 3.31Å; N79-F110 HydrophobicContact CB-CE1 4.42Å; N79-F110 HydrophobicContact CB-CZ 3.71Å; Q82-F110 HydrophobicContact CB-CD2 4.42Å; Q82-F110 HydrophobicContact CB-CE2 3.94Å; L83-F110 HydrophobicContact CD1-CD1 4.46Å; L83-F110 HydrophobicContact CD1-CE1 4.49Å; L83-F110 HydrophobicContact CD2-CB 3.64Å; L83-F110 HydrophobicContact CD2-CD1 3.99Å; L83-F110 HydrophobicContact CD2-CD2 4.01Å; L83-F110 HydrophobicContact CD2-CG 3.6Å; L83-F110 HydrophobicContact CG-CD1 4.26Å; L83-F110 HydrophobicContact CG-CD2 4.06Å; L83-F110 HydrophobicContact CG-CE2 4.31Å; L83-F110 HydrophobicContact CG-CG 4.04Å; I86-F110 HydrophobicContact CD1-CB 4.15Å; I86-F110 HydrophobicContact CD1-CD2 4.33Å; A106-F110 VanDerWaalsContact O-CB 3.23Å; A106-F110 WeakPolarHBondContact O-CB 3.27Å; A106-F110 PolarHBondContact O-N 3.35Å; N107-F110 PolarHBondContact O-N 2.96Å
111E93.8Very high94.5Very high83 Ų8341.8 Ų41.839%0.38822%0.223SC..THydrogen-bonded Turntrans-101.97.1-179.4-58.3-164.1144.100113.1N5 N107 L109 G113N5-E111 PolarHBondContact ND2-OE1 3.25Å; N107-E111 PolarHBondContact O-N 3.47Å; L109-E111 PolarHBondContact O-N 3.36Å; E111-G113 PolarHBondContact O-N 3.48Å
112N92Very high94.9Very high89 Ų8935.6 Ų35.648%0.47620%0.195SC..  trans54.742.1-171.2-170.528000111.6Q49 D108 L109 M115Q49-N112 HydrophobicContact CG-CB 4.27Å; D108-N112 CarbonylContact O-C 3.58Å; D108-N112 WeakPolarHBondContact O-CA 3.21Å; L109-N112 PolarHBondContact O-N 3.27Å; N112-M115 WeakPolarHBondContact OD1-CG 3.35Å
113G90Very high95.1Very high36 Ų3635.7 Ų35.737%0.37120%0.197SC..SBendtrans-69.5-48.5-178.800000112.2D108 E111D108-G113 PolarHBondContact O-N 2.87Å; E111-G113 PolarHBondContact O-N 3.48Å
114N93.4Very high95Very high35 Ų3535.2 Ų35.219%0.18720%0.197CC..  trans-152.975.2-174.4-173-3.8000111.8I20 D108 T116 Q117 V118I20-N114 WeakPolarHBondContact CG2-OD1 3.34Å; D108-N114 HydrophobicContact CB-CB 4.05Å; D108-N114 PolarHBondContact O-N 3.49Å; D108-N114 WeakPolarHBondContact OD1-CB 3.48Å; N114-T116 PolarHBondContact O-N 3.43Å; N114-Q117 HydrophobicContact CB-CB 4.35Å; N114-Q117 WeakPolarHBondContact ND2-CB 3.4Å; N114-Q117 PolarHBondContact O-N 3.28Å; N114-Q117 VanDerWaalsContact O-N 3.15Å; N114-Q117 PolarHBondContact OD1-N 2.95Å; N114-Q117 VanDerWaalsContact OD1-N 3.11Å; N114-V118 PolarHBondContact O-N 3Å
115M94.7Very high95Very high20 Ų2035.1 Ų35.110%0.09920%0.196CC..Hα-helixtrans-64.1-24.1178.5-78.2-60.8-5900113.9Y24 F48 Q49 L109 N112 Q117 V118 Q119Y24-M115 HydrophobicContact CD2-CB 4.21Å; Y24-M115 HydrophobicContact CE2-CB 3.81Å; Y24-M115 WeakPolarHBondContact CE2-O 3.38Å; F48-M115 HydrophobicContact CD1-CE 3.79Å; F48-M115 HydrophobicContact CE1-CE 4.15Å; Q49-M115 HydrophobicContact CB-CE 3.97Å; Q49-M115 HydrophobicContact CB-CG 4.44Å; Q49-M115 HydrophobicContact CB-SD 3.89Å; Q49-M115 HydrophobicContact CG-CE 4.33Å; Q49-M115 HydrophobicContact CG-CG 4.19Å; Q49-M115 HydrophobicContact CG-SD 3.58Å; Q49-M115 VanDerWaalsContact CG-SD 3.58Å; L109-M115 HydrophobicContact CD1-CE 4.41Å; L109-M115 HydrophobicContact CD1-SD 3.87Å; N112-M115 WeakPolarHBondContact OD1-CG 3.35Å; M115-Q117 VanDerWaalsContact C-N 3.33Å; M115-Q117 PolarHBondContact O-N 3.38Å; M115-V118 HydrophobicContact CE-CB 4.3Å; M115-V118 HydrophobicContact CE-CG1 4.28Å; M115-V118 WeakPolarHBondContact O-CB 3.45Å; M115-V118 PolarHBondContact O-N 3.46Å; M115-V118 HydrophobicContact SD-CB 4.2Å; M115-V118 HydrophobicContact SD-CG1 4.49Å; M115-V118 HydrophobicContact SD-CG2 4.04Å; M115-Q119 WeakPolarHBondContact O-CB 3.29Å; M115-Q119 PolarHBondContact O-N 3.18Å
116T95.1Very high94.9Very high12 Ų1228.9 Ų28.97%0.07417%0.167CC..Hα-helixtrans-62.6-40.4173.6-490000111.6I20 K23 N114 Q119 T120I20-T116 HydrophobicContact CG2-CG2 4.19Å; I20-T116 WeakPolarHBondContact O-CG2 3.38Å; I20-T116 PolarHBondContact O-OG1 3.33Å; K23-T116 HydrophobicContact CB-CG2 3.87Å; N114-T116 PolarHBondContact O-N 3.43Å; T116-Q119 PolarHBondContact O-N 3.39Å; T116-T120 WeakPolarHBondContact O-CB 3.39Å; T116-T120 PolarHBondContact O-N 3.12Å; T116-T120 PolarHBondContact O-OG1 2.61Å
117Q95.1Very high94.8Very high52 Ų5227.8 Ų27.824%0.24316%0.158CC..Hα-helixtrans-68.2-39.3175.7-173.86149.100111.2F104 N114 M115 T120 T121F104-Q117 HydrophobicContact CB-CB 4.28Å; F104-Q117 HydrophobicContact CB-CG 3.72Å; N114-Q117 HydrophobicContact CB-CB 4.35Å; N114-Q117 WeakPolarHBondContact ND2-CB 3.4Å; N114-Q117 PolarHBondContact O-N 3.28Å; N114-Q117 VanDerWaalsContact O-N 3.15Å; N114-Q117 PolarHBondContact OD1-N 2.95Å; N114-Q117 VanDerWaalsContact OD1-N 3.11Å; M115-Q117 VanDerWaalsContact C-N 3.33Å; M115-Q117 PolarHBondContact O-N 3.38Å; Q117-T120 PolarHBondContact O-N 3.39Å; Q117-T121 WeakPolarHBondContact O-CB 3.48Å; Q117-T121 PolarHBondContact O-N 2.68Å; Q117-T121 PolarHBondContact O-OG1 3.1Å
118V96.9Very high94.7Very high1 Ų125.1 Ų25.11%0.00614%0.144CC..Hα-helixtrans-59-50.8174.5-179.20000110.4F104 D108 L109 N114 M115 T120 T121 L122F104-V118 HydrophobicContact CB-CG2 4.06Å; F104-V118 HydrophobicContact CD1-CB 4.41Å; F104-V118 HydrophobicContact CD1-CG1 4.35Å; F104-V118 HydrophobicContact CD1-CG2 4.29Å; F104-V118 HydrophobicContact CD2-CG2 3.85Å; F104-V118 HydrophobicContact CE1-CG1 4.27Å; F104-V118 HydrophobicContact CE2-CG2 4.39Å; F104-V118 HydrophobicContact CG-CB 4.4Å; F104-V118 HydrophobicContact CG-CG2 3.84Å; D108-V118 HydrophobicContact CB-CG2 4.09Å; L109-V118 HydrophobicContact CB-CG2 3.95Å; L109-V118 HydrophobicContact CD1-CG1 4.32Å; N114-V118 PolarHBondContact O-N 3Å; M115-V118 HydrophobicContact CE-CB 4.3Å; M115-V118 HydrophobicContact CE-CG1 4.28Å; M115-V118 WeakPolarHBondContact O-CB 3.45Å; M115-V118 PolarHBondContact O-N 3.46Å; M115-V118 HydrophobicContact SD-CB 4.2Å; M115-V118 HydrophobicContact SD-CG1 4.49Å; M115-V118 HydrophobicContact SD-CG2 4.04Å; V118-T120 PolarHBondContact O-N 3.34Å; V118-T121 PolarHBondContact O-N 3.06Å; V118-L122 HydrophobicContact CG1-CD1 3.97Å; V118-L122 WeakPolarHBondContact O-CG 3.42Å; V118-L122 PolarHBondContact O-N 3.2Å
119Q96.3Very high94.6Very high9 Ų923.9 Ų23.94%0.04214%0.137CC..Hα-helixtrans-57.1-49.8176.8174.1173.871.800111.6Y24 D25 E29 L32 M115 T116 T121 L122 V123Y24-Q119 HydrophobicContact CD2-CB 4.43Å; Y24-Q119 HydrophobicContact CE2-CB 3.92Å; D25-Q119 PolarHBondContact O-NE2 2.9Å; E29-Q119 VanDerWaalsContact N-NE2 3.19Å; L32-Q119 HydrophobicContact CD1-CB 4.41Å; L32-Q119 HydrophobicContact CD1-CG 3.9Å; M115-Q119 WeakPolarHBondContact O-CB 3.29Å; M115-Q119 PolarHBondContact O-N 3.18Å; T116-Q119 PolarHBondContact O-N 3.39Å; Q119-T121 VanDerWaalsContact C-N 3.31Å; Q119-T121 PolarHBondContact O-N 3.49Å; Q119-L122 PolarHBondContact O-N 3.4Å; Q119-V123 HydrophobicContact CG-CG2 4.46Å; Q119-V123 WeakPolarHBondContact O-CG2 3.45Å; Q119-V123 PolarHBondContact O-N 2.85Å
120T95.1Very high94.3Very high68 Ų6825 Ų2542%0.41714%0.142SC..Hα-helixtrans-58.7-43.2179.7-56.70000111.7T116 Q117 V118 L122 V123 A124T116-T120 WeakPolarHBondContact O-CB 3.39Å; T116-T120 PolarHBondContact O-N 3.12Å; T116-T120 PolarHBondContact O-OG1 2.61Å; Q117-T120 PolarHBondContact O-N 3.39Å; V118-T120 PolarHBondContact O-N 3.34Å; T120-L122 PolarHBondContact O-N 3.21Å; T120-V123 PolarHBondContact O-N 3.23Å; T120-A124 WeakPolarHBondContact O-CB 3.44Å; T120-A124 PolarHBondContact O-N 3.08Å
121T96.8Very high94Very high0 Ų026.4 Ų26.40%015%0.152CC..Hα-helixtrans-62.2-43.8178.1-52.30000111.3I93 M98 D102 F104 Q117 V118 Q119 A124 L125I93-T121 HydrophobicContact CD1-CG2 3.75Å; M98-T121 HydrophobicContact CE-CG2 4.05Å; D102-T121 WeakPolarHBondContact O-CA 3.24Å; D102-T121 WeakPolarHBondContact O-CB 3.37Å; D102-T121 WeakPolarHBondContact O-CG2 3.16Å; D102-T121 PolarHBondContact O-OG1 2.92Å; F104-T121 HydrophobicContact CD1-CG2 3.79Å; F104-T121 HydrophobicContact CE1-CG2 4.3Å; F104-T121 PolarHBondContact N-OG1 3.36Å; F104-T121 VanDerWaalsContact N-OG1 3.15Å; Q117-T121 WeakPolarHBondContact O-CB 3.48Å; Q117-T121 PolarHBondContact O-N 2.68Å; Q117-T121 PolarHBondContact O-OG1 3.1Å; V118-T121 PolarHBondContact O-N 3.06Å; Q119-T121 VanDerWaalsContact C-N 3.31Å; Q119-T121 PolarHBondContact O-N 3.49Å; T121-A124 PolarHBondContact O-N 3.44Å; T121-L125 WeakPolarHBondContact O-CB 3.43Å; T121-L125 PolarHBondContact O-N 3.46Å
122L96.8Very high93.8Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-70.7-39-178.5-67.2172000112.3L32 I36 F48 L52 L58 L61 F89 V118 Q119 T120 A124 L125 A126L32-L122 HydrophobicContact CD1-CB 3.92Å; L32-L122 HydrophobicContact CD1-CD1 4.47Å; L32-L122 HydrophobicContact CD2-CB 3.76Å; I36-L122 HydrophobicContact CD1-CD1 4.19Å; F48-L122 HydrophobicContact CE1-CD1 4.36Å; F48-L122 HydrophobicContact CZ-CD1 4.09Å; L52-L122 HydrophobicContact CD1-CD1 4.23Å; L58-L122 HydrophobicContact CD2-CD2 4.08Å; L61-L122 HydrophobicContact CD2-CD2 4.5Å; F89-L122 HydrophobicContact CE1-CD2 4.41Å; F89-L122 HydrophobicContact CZ-CD2 4Å; V118-L122 HydrophobicContact CG1-CD1 3.97Å; V118-L122 WeakPolarHBondContact O-CG 3.42Å; V118-L122 PolarHBondContact O-N 3.2Å; Q119-L122 PolarHBondContact O-N 3.4Å; T120-L122 PolarHBondContact O-N 3.21Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.13Å; L122-L125 PolarHBondContact O-N 2.87Å; L122-A126 PolarHBondContact O-N 3.47Å
123V95.3Very high93.5Very high43 Ų4325.4 Ų25.426%0.26116%0.155SC..Hα-helixtrans-62-43.6173.1173.10000110.8L32 Q119 T120 A126 G127 I140L32-V123 HydrophobicContact CD1-CG2 3.95Å; L32-V123 HydrophobicContact CD2-CG2 4.08Å; L32-V123 HydrophobicContact CG-CG2 4.07Å; Q119-V123 HydrophobicContact CG-CG2 4.46Å; Q119-V123 WeakPolarHBondContact O-CG2 3.45Å; Q119-V123 PolarHBondContact O-N 2.85Å; T120-V123 PolarHBondContact O-N 3.23Å; V123-A126 PolarHBondContact O-N 3.15Å; V123-G127 PolarHBondContact O-N 2.97Å; V123-I140 HydrophobicContact CG1-CG2 4.35Å; V123-I140 HydrophobicContact CG2-CG2 4.36Å
124A94.6Very high93.4Very high14 Ų1426.9 Ų26.912%0.11615%0.151CC..Hα-helixtrans-64.1-40.9176.200000111.9M98 T120 T121 L122 A126 G127 L128 Y144M98-A124 HydrophobicContact CE-CB 3.64Å; M98-A124 HydrophobicContact SD-CB 4.22Å; T120-A124 WeakPolarHBondContact O-CB 3.44Å; T120-A124 PolarHBondContact O-N 3.08Å; T121-A124 PolarHBondContact O-N 3.44Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.13Å; A124-A126 PolarHBondContact O-N 3.46Å; A124-G127 PolarHBondContact O-N 3.47Å; A124-L128 WeakPolarHBondContact O-CB 3.31Å; A124-L128 PolarHBondContact O-N 2.91Å; A124-Y144 WeakPolarHBondContact CB-OH 3.26Å
125L95.7Very high92.9Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-61.3-43.2174.7179.364.6000112L61 L65 F89 I93 Y96 M98 T121 L122 L128 A129L61-L125 HydrophobicContact CD2-CD2 4.28Å; L65-L125 HydrophobicContact CD1-CD1 4.33Å; L65-L125 HydrophobicContact CD1-CD2 4.29Å; L65-L125 HydrophobicContact CD1-CG 4.18Å; F89-L125 HydrophobicContact CE2-CD2 4.11Å; F89-L125 HydrophobicContact CZ-CD2 3.83Å; I93-L125 HydrophobicContact CB-CD1 4.32Å; I93-L125 HydrophobicContact CG2-CD1 3.97Å; I93-L125 HydrophobicContact CG2-CD2 3.83Å; Y96-L125 HydrophobicContact CD1-CD1 3.72Å; Y96-L125 HydrophobicContact CE1-CD1 4.04Å; M98-L125 HydrophobicContact CG-CD1 4.29Å; M98-L125 HydrophobicContact SD-CB 4.42Å; T121-L125 WeakPolarHBondContact O-CB 3.43Å; T121-L125 PolarHBondContact O-N 3.46Å; L122-L125 PolarHBondContact O-N 2.87Å; L125-L128 WeakPolarHBondContact O-CB 3.36Å; L125-L128 PolarHBondContact O-N 3.03Å; L125-A129 WeakPolarHBondContact O-CB 3.47Å; L125-A129 PolarHBondContact O-N 2.77Å
126A94.3Very high92.5Very high0 Ų032.9 Ų32.90%018%0.179CC..Hα-helixtrans-62.1-45.3175.900000111.5W35 L122 V123 A124 L128 A129 K130 I140W35-A126 HydrophobicContact CD2-CB 4.08Å; W35-A126 HydrophobicContact CE3-CB 4.17Å; W35-A126 HydrophobicContact CH2-CB 3.86Å; W35-A126 HydrophobicContact CZ2-CB 3.74Å; W35-A126 HydrophobicContact CZ3-CB 4.07Å; L122-A126 PolarHBondContact O-N 3.47Å; V123-A126 PolarHBondContact O-N 3.15Å; A124-A126 PolarHBondContact O-N 3.46Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.11Å; A126-A129 WeakPolarHBondContact O-CB 3.13Å; A126-A129 PolarHBondContact O-N 2.68Å; A126-K130 WeakPolarHBondContact O-CG 3.1Å; A126-K130 PolarHBondContact O-N 3.15Å; A126-I140 HydrophobicContact CB-CB 4.22Å; A126-I140 HydrophobicContact CB-CG2 3.77Å
127G92.8Very high91.9Very high1 Ų138.2 Ų38.21%0.0121%0.212CC..Hα-helixtrans-59.8-39173.300000113V123 A124 K130 T131 V142V123-G127 PolarHBondContact O-N 2.97Å; A124-G127 PolarHBondContact O-N 3.47Å; G127-K130 PolarHBondContact O-N 2.83Å; G127-T131 WeakPolarHBondContact O-CG2 3.42Å; G127-T131 PolarHBondContact O-N 3.15Å; G127-V142 WeakPolarHBondContact CA-O 3.47Å
128L92.5Very high91.3Very high23 Ų2337.6 Ų37.612%0.1221%0.21CC..Hα-helixtrans-68-40.4175.5-175.262.9000111.5Y96 M98 A124 L125 A126 K130 T131 K132 Y144Y96-L128 HydrophobicContact CD1-CD2 3.69Å; Y96-L128 HydrophobicContact CD1-CG 4.12Å; Y96-L128 HydrophobicContact CE1-CD2 4.12Å; Y96-L128 HydrophobicContact CE1-CG 4.04Å; M98-L128 HydrophobicContact CG-CD2 4Å; M98-L128 HydrophobicContact SD-CD2 3.92Å; A124-L128 WeakPolarHBondContact O-CB 3.31Å; A124-L128 PolarHBondContact O-N 2.91Å; L125-L128 WeakPolarHBondContact O-CB 3.36Å; L125-L128 PolarHBondContact O-N 3.03Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.11Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 2.99Å; L128-T131 PolarHBondContact O-N 3.08Å; L128-T131 VanDerWaalsContact O-N 3.11Å; L128-T131 PolarHBondContact O-OG1 3.35Å; L128-K132 PolarHBondContact O-N 2.87Å; L128-Y144 HydrophobicContact CB-CD2 4.41Å; L128-Y144 HydrophobicContact CB-CE2 4.15Å
129A93Very high90.4Very high1 Ų144.3 Ų44.31%0.00825%0.246CC..Hα-helixtrans-60.4-43.4175.400000111.9W35 L65 L125 A126 T131 K132 G133 F134W35-A129 HydrophobicContact CZ2-CB 4.49Å; L65-A129 HydrophobicContact CD1-CB 4.21Å; L65-A129 HydrophobicContact CD2-CB 3.89Å; L125-A129 WeakPolarHBondContact O-CB 3.47Å; L125-A129 PolarHBondContact O-N 2.77Å; A126-A129 WeakPolarHBondContact O-CB 3.13Å; A126-A129 PolarHBondContact O-N 2.68Å; A129-T131 VanDerWaalsContact C-N 3.27Å; A129-T131 PolarHBondContact O-N 2.82Å; A129-K132 PolarHBondContact O-N 3.34Å; A129-K132 VanDerWaalsContact O-N 3.12Å; A129-G133 PolarHBondContact O-N 3.28Å; A129-F134 HydrophobicContact CB-CB 4.15Å; A129-F134 WeakPolarHBondContact O-CB 3.32Å; A129-F134 PolarHBondContact O-N 3.26Å
130K91.3Very high89.8Confident23 Ų2344.4 Ų44.410%0.125%0.246CC..Hα-helixtrans-57.2-39.2172.6-70.3179.2-177.8176.10112.8A126 G127 L128 K132 G133 F134 D139 I140 G141A126-K130 WeakPolarHBondContact O-CG 3.1Å; A126-K130 PolarHBondContact O-N 3.15Å; G127-K130 PolarHBondContact O-N 2.83Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 2.99Å; K130-K132 VanDerWaalsContact C-N 3.27Å; K130-K132 PolarHBondContact O-N 3.47Å; K130-G133 PolarHBondContact O-N 2.96Å; K130-F134 WeakPolarHBondContact CA-O 3.45Å; K130-D139 WeakPolarHBondContact CE-OD1 3.27Å; K130-D139 VanDerWaalsContact NZ-C 3.26Å; K130-D139 IonicContact NZ-OD1 2.56Å; K130-D139 PolarHBondContact NZ-OD1 2.95Å; K130-I140 WeakPolarHBondContact CE-O 3.41Å; K130-I140 PolarHBondContact NZ-O 2.85Å; K130-G141 PolarHBondContact NZ-O 3.11Å
131T88.3Confident88.8Confident45 Ų4542.4 Ų42.428%0.27624%0.24SC..Hα-helixtrans-66.4-32179.568.80000112.9G127 L128 A129 G133 K143 Y144G127-T131 WeakPolarHBondContact O-CG2 3.42Å; G127-T131 PolarHBondContact O-N 3.15Å; L128-T131 PolarHBondContact O-N 3.08Å; L128-T131 VanDerWaalsContact O-N 3.11Å; L128-T131 PolarHBondContact O-OG1 3.35Å; A129-T131 VanDerWaalsContact C-N 3.27Å; A129-T131 PolarHBondContact O-N 2.82Å; T131-G133 PolarHBondContact O-N 2.86Å; T131-K143 HydrophobicContact CG2-CB 4.4Å; T131-K143 HydrophobicContact CG2-CG 3.67Å; T131-Y144 HydrophobicContact CG2-CD2 3.95Å; T131-Y144 HydrophobicContact CG2-CG 4.24Å
132K89.5Confident87.9Confident106 Ų10648.4 Ų48.446%0.46128%0.276SS..THydrogen-bonded Turntrans-814.3174.6-64.1-160.8-173.4175.60113.5Y96 L128 A129 K130Y96-K132 HydrophobicContact CE1-CD 4.24Å; Y96-K132 HydrophobicContact CE2-CD 3.78Å; Y96-K132 VanDerWaalsContact CE2-NZ 3.3Å; Y96-K132 VanDerWaalsContact O-CE 3.25Å; Y96-K132 WeakPolarHBondContact O-CE 3.28Å; Y96-K132 PolarHBondContact O-NZ 2.92Å; L128-K132 PolarHBondContact O-N 2.87Å; A129-K132 PolarHBondContact O-N 3.34Å; A129-K132 VanDerWaalsContact O-N 3.12Å; K130-K132 VanDerWaalsContact C-N 3.27Å; K130-K132 PolarHBondContact O-N 3.47Å
133G86.9Confident86.8Confident44 Ų4455.2 Ų55.245%0.45431%0.305SS..THydrogen-bonded Turntrans86.513.717700000114.4A129 K130 T131 H135A129-G133 PolarHBondContact O-N 3.28Å; K130-G133 PolarHBondContact O-N 2.96Å; T131-G133 PolarHBondContact O-N 2.86Å; G133-H135 PolarHBondContact O-CE1 3.45Å; G133-H135 PolarHBondContact O-N 2.9Å; G133-H135 PolarHBondContact O-ND1 3.49Å
134F88.1Confident85.7Confident67 Ų6757.8 Ų57.829%0.29431%0.311SS..  trans-81.9111.6170.9-160.6-80.6000109V39 L65 A129 K130 T136V39-F134 HydrophobicContact CG1-CE1 4.26Å; V39-F134 HydrophobicContact CG1-CZ 4.12Å; V39-F134 HydrophobicContact CG2-CE1 3.94Å; L65-F134 HydrophobicContact CD2-CB 4.47Å; L65-F134 HydrophobicContact CD2-CD1 3.74Å; L65-F134 HydrophobicContact CD2-CD2 3.94Å; L65-F134 HydrophobicContact CD2-CE1 3.89Å; L65-F134 HydrophobicContact CD2-CE2 4.07Å; L65-F134 HydrophobicContact CD2-CG 3.77Å; L65-F134 HydrophobicContact CD2-CZ 4.05Å; A129-F134 HydrophobicContact CB-CB 4.15Å; A129-F134 WeakPolarHBondContact O-CB 3.32Å; A129-F134 PolarHBondContact O-N 3.26Å; K130-F134 WeakPolarHBondContact CA-O 3.45Å; F134-T136 HydrophobicContact CD1-CG2 4.02Å; F134-T136 HydrophobicContact CE1-CG2 3.71Å
135H83Confident84.4Confident154 Ų15462 Ų6271%0.71335%0.346SS*.  trans-110.1127.4-177-59.881.1000109.7G133G133-H135 PolarHBondContact O-CE1 3.45Å; G133-H135 PolarHBondContact O-N 2.9Å; G133-H135 PolarHBondContact O-ND1 3.49Å
136T85.4Confident83.1Confident28 Ų2870.8 Ų70.817%0.17239%0.387CS..  trans-113.6159.8174.745.60000109.4W35 E38 V39 F134 I138W35-T136 PolarHBondContact NE1-OG1 3.37Å; E38-T136 WeakPolarHBondContact OE1-CA 3.36Å; V39-T136 HydrophobicContact CG2-CG2 3.59Å; F134-T136 HydrophobicContact CD1-CG2 4.02Å; F134-T136 HydrophobicContact CE1-CG2 3.71Å; T136-I138 PolarHBondContact O-N 2.89Å; T136-I138 PolarHBondContact OG1-O 2.94Å
137T82.3Confident82.2Confident124 Ų12479.3 Ų79.376%0.76142%0.424SS*.SBendtrans-64.7-31.217467.60000111.5E38E38-T137 PolarHBondContact OE1-N 3.4Å; E38-T137 PolarHBondContact OE1-OG1 3.06Å; E38-T137 PolarHBondContact OE2-N 2.93Å; E38-T137 PolarHBondContact OE2-OG1 3.32Å
138I82.9Confident81.3Confident39 Ų3985.8 Ų85.820%0.245%0.454CS..SBendtrans-88.2121.4178.9-61.5157.9000109.9N34 W35 E38 T136 I140N34-I138 HydrophobicContact CB-CD1 3.35Å; N34-I138 HydrophobicContact CB-CG1 4.44Å; N34-I138 VanDerWaalsContact O-CD1 3.24Å; N34-I138 WeakPolarHBondContact O-CD1 3.37Å; W35-I138 HydrophobicContact CB-CB 4.35Å; W35-I138 HydrophobicContact CB-CD1 4.47Å; W35-I138 HydrophobicContact CB-CG2 4.11Å; E38-I138 HydrophobicContact CB-CD1 4.28Å; E38-I138 WeakPolarHBondContact OE2-CD1 3.36Å; E38-I138 WeakPolarHBondContact OE2-CG1 3.38Å; E38-I138 PolarHBondContact OE2-N 3.08Å; T136-I138 PolarHBondContact O-N 2.89Å; T136-I138 PolarHBondContact OG1-O 2.94Å; I138-I140 HydrophobicContact CG2-CD1 3.66Å; I138-I140 HydrophobicContact CG2-CG1 3.82Å; I138-I140 PolarHBondContact O-N 3.19Å
139D78Confident80.6Confident141 Ų14188.5 Ų88.575%0.75447%0.472SS*.  trans-89.683.4-175.9-16833000111.2K130K130-D139 WeakPolarHBondContact CE-OD1 3.27Å; K130-D139 VanDerWaalsContact NZ-C 3.26Å; K130-D139 IonicContact NZ-OD1 2.56Å; K130-D139 PolarHBondContact NZ-OD1 2.95Å
140I84Confident80Confident11 Ų1197.4 Ų97.46%0.05651%0.505CS..  trans-110.5134.8177.2-71.7167.6000114.7D31 L32 W35 V123 A126 K130 I138D31-I140 HydrophobicContact CB-CD1 3.46Å; D31-I140 VanDerWaalsContact CB-CD1 3.46Å; D31-I140 HydrophobicContact CB-CG1 3.77Å; D31-I140 WeakPolarHBondContact O-CD1 3.43Å; L32-I140 HydrophobicContact CD2-CD1 4.45Å; L32-I140 HydrophobicContact CD2-CG2 4.12Å; W35-I140 HydrophobicContact CB-CD1 3.52Å; W35-I140 HydrophobicContact CG-CD1 4.15Å; V123-I140 HydrophobicContact CG1-CG2 4.35Å; V123-I140 HydrophobicContact CG2-CG2 4.36Å; A126-I140 HydrophobicContact CB-CB 4.22Å; A126-I140 HydrophobicContact CB-CG2 3.77Å; K130-I140 WeakPolarHBondContact CE-O 3.41Å; K130-I140 PolarHBondContact NZ-O 2.85Å; I138-I140 HydrophobicContact CG2-CD1 3.66Å; I138-I140 HydrophobicContact CG2-CG1 3.82Å; I138-I140 PolarHBondContact O-N 3.19Å
141G74.4Confident79.5Confident27 Ų27107.6 Ų107.628%0.27854%0.543SS..SBendtrans78.9157.3176.200000112.6K130K130-G141 PolarHBondContact NZ-O 3.11Å
142V78.1Confident79.4Confident126 Ų126110.2 Ų110.276%0.76455%0.551SS**  trans-88.3135.3-177.5-178.10000109.4G127 Y144G127-V142 WeakPolarHBondContact CA-O 3.47Å; V142-Y144 PolarHBondContact O-N 3.22Å; V142-Y144 VanDerWaalsContact O-N 3.13Å
143K73.4Confident79.3Confident142 Ų142110.8 Ų110.862%0.61756%0.559SS**  trans-62.9115.1170.8-174.5179.1-179.5174.20108.9T131 A145T131-K143 HydrophobicContact CG2-CB 4.4Å; T131-K143 HydrophobicContact CG2-CG 3.67Å; K143-A145 PolarHBondContact O-N 3.15Å
144Y70.9Confident79.1Confident98 Ų98116.4 Ų116.438%0.38457%0.574SS.*PPolyproline II helixtrans-56.1137172.7-68.2-98.8000111.1A124 L128 T131 V142 E146A124-Y144 WeakPolarHBondContact CB-OH 3.26Å; L128-Y144 HydrophobicContact CB-CD2 4.41Å; L128-Y144 HydrophobicContact CB-CE2 4.15Å; T131-Y144 HydrophobicContact CG2-CD2 3.95Å; T131-Y144 HydrophobicContact CG2-CG 4.24Å; V142-Y144 PolarHBondContact O-N 3.22Å; V142-Y144 VanDerWaalsContact O-N 3.13Å; Y144-E146 PolarHBondContact O-N 3.07Å
145A67.6Low78.9Confident103 Ų103115.2 Ų115.285%0.85158%0.58SS**PPolyproline II helixtrans-68.1123.9176.800000110.2K143K143-A145 PolarHBondContact O-N 3.15Å
146E68.3Low78.8Confident184 Ų184114.3 Ų114.386%0.8657%0.574SS**PPolyproline II helixtrans-70.9135.5171.8-169.7177.4177.400109.8Y144 Q148Y144-E146 PolarHBondContact O-N 3.07Å; E146-Q148 PolarHBondContact O-N 2.9Å
147K75.7Confident78.8Confident178 Ų178117.6 Ų117.677%0.77459%0.59SS**  trans-67.697.5176.8-176.6-175177.9-179.80109.5T149K147-T149 HydrophobicContact CD-CG2 4.17Å; K147-T149 HydrophobicContact CG-CG2 4.21Å; K147-T149 PolarHBondContact O-N 3.37Å
148Q74.4Confident78.7Confident137 Ų137119 Ų11964%0.6459%0.585SS**  trans-76.597172.3-150.5-64.3-69.900109.3E146 R150E146-Q148 PolarHBondContact O-N 2.9Å; Q148-R150 PolarHBondContact O-N 3.15Å
149T76.6Confident78.6Confident80 Ų80119.6 Ų119.649%0.49160%0.596SS.*  trans-75.7105.9171.346.40000109.4K147 R151K147-T149 HydrophobicContact CD-CG2 4.17Å; K147-T149 HydrophobicContact CG-CG2 4.21Å; K147-T149 PolarHBondContact O-N 3.37Å; T149-R151 PolarHBondContact O-N 3.41Å; T149-R151 VanDerWaalsContact O-N 3.15Å
150R81.1Confident78.6Confident189 Ų189114.9 Ų114.971%0.71358%0.581SS**  trans-69.8109.1171.5-66.8179.7-176.7169.31.3108.2Q148 F152Q148-R150 PolarHBondContact O-N 3.15Å; R150-F152 HydrophobicContact CB-CE1 4.38Å; R150-F152 HydrophobicContact CB-CE2 3.98Å; R150-F152 HydrophobicContact CB-CZ 3.84Å
151R81Confident78.1Confident236 Ų236122.1 Ų122.189%0.89162%0.615SS**PPolyproline II helixtrans-83117.3167-65-171.1179.4-1481107.4T149T149-R151 PolarHBondContact O-N 3.41Å; T149-R151 VanDerWaalsContact O-N 3.15Å
152F85.4Confident78Confident100 Ų100125.2 Ų125.244%0.43963%0.632SS.*PPolyproline II helixtrans-93.9142.2171.4-60.8-72.2000108.7R150 K156 L157R150-F152 HydrophobicContact CB-CE1 4.38Å; R150-F152 HydrophobicContact CB-CE2 3.98Å; R150-F152 HydrophobicContact CB-CZ 3.84Å; F152-K156 HydrophobicContact CD1-CD 3.96Å; F152-L157 HydrophobicContact CB-CD2 3.84Å; F152-L157 HydrophobicContact CB-CG 3.9Å; F152-L157 HydrophobicContact CD2-CD2 4.16Å; F152-L157 HydrophobicContact CG-CD2 4.36Å
153D88Confident77.6Confident119 Ų119124.5 Ų124.564%0.63663%0.628SS**PPolyproline II helixtrans-59.4147.8171.5-176.370.5000111G155 K156 L157D153-G155 PolarHBondContact O-N 3.41Å; D153-G155 PolarHBondContact OD2-N 2.96Å; D153-K156 HydrophobicContact CB-CB 4.37Å; D153-K156 WeakPolarHBondContact O-CA 3.39Å; D153-K156 WeakPolarHBondContact O-CB 3.46Å; D153-K156 PolarHBondContact O-N 3.29Å; D153-L157 PolarHBondContact O-N 2.96Å
154E82.7Confident76.9Confident162 Ų162123.3 Ų123.376%0.75763%0.627SS**Hα-helixtrans-60.1-36.6-177.5-168.4178.7171.400111.7K156 L157 K158E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 2.99Å; E154-L157 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact O-CB 3.3Å; E154-K158 PolarHBondContact O-N 3.34Å
155G83.3Confident76.5Confident42 Ų42120.6 Ų120.643%0.43363%0.629SS.*Hα-helixtrans-62.8-36.8173.900000112.5D153 A159D153-G155 PolarHBondContact O-N 3.41Å; D153-G155 PolarHBondContact OD2-N 2.96Å; G155-A159 VanDerWaalsContact O-CB 3.3Å; G155-A159 WeakPolarHBondContact O-CB 3.43Å; G155-A159 PolarHBondContact O-N 3.34Å
156K82.1Confident76.2Confident135 Ų135124 Ų12459%0.58763%0.632SS**Hα-helixtrans-72.4-37.8177.7-174.1166.6179.7171.70112.4F152 D153 E154 G160F152-K156 HydrophobicContact CD1-CD 3.96Å; D153-K156 HydrophobicContact CB-CB 4.37Å; D153-K156 WeakPolarHBondContact O-CA 3.39Å; D153-K156 WeakPolarHBondContact O-CB 3.46Å; D153-K156 PolarHBondContact O-N 3.29Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 2.99Å; K156-G160 PolarHBondContact O-N 3.16Å
157L83.7Confident75.5Confident97 Ų97124.6 Ų124.651%0.50863%0.634SS.*Hα-helixtrans-65.1-43.4173.2-69.2175.2000111.3F152 D153 E154 G160 Q161F152-L157 HydrophobicContact CB-CD2 3.84Å; F152-L157 HydrophobicContact CB-CG 3.9Å; F152-L157 HydrophobicContact CD2-CD2 4.16Å; F152-L157 HydrophobicContact CG-CD2 4.36Å; D153-L157 PolarHBondContact O-N 2.96Å; E154-L157 PolarHBondContact O-N 2.87Å; L157-G160 PolarHBondContact O-N 3.42Å; L157-Q161 PolarHBondContact O-N 2.94Å
158K81.8Confident74.7Confident152 Ų152123.7 Ų123.766%0.66164%0.635SS**Hα-helixtrans-65.7-41176.7-168.8174.8-176.2176.80112.3E154 G160 Q161E154-K158 WeakPolarHBondContact O-CB 3.3Å; E154-K158 PolarHBondContact O-N 3.34Å; K158-G160 VanDerWaalsContact C-N 3.27Å; K158-G160 PolarHBondContact O-N 2.63Å; K158-Q161 WeakPolarHBondContact O-CB 3.38Å; K158-Q161 PolarHBondContact O-N 3.06Å; K158-Q161 VanDerWaalsContact O-N 3.16Å
159A79.5Confident73.6Confident52 Ų52119.9 Ų119.943%0.4363%0.632SS.*Hα-helixtrans-61.4-37.3172.300000111.6G155 Q161 S162G155-A159 VanDerWaalsContact O-CB 3.3Å; G155-A159 WeakPolarHBondContact O-CB 3.43Å; G155-A159 PolarHBondContact O-N 3.34Å; A159-Q161 VanDerWaalsContact C-N 3.27Å; A159-Q161 PolarHBondContact O-N 3.19Å; A159-S162 PolarHBondContact O-N 3.01Å; A159-S162 PolarHBondContact O-OG 3.26Å
160G79.4Confident72.2Confident42 Ų42119.9 Ų119.943%0.43363%0.632SS.*Hα-helixtrans-59.8-33.6173.900000113.9K156 L157 K158 S162 V163K156-G160 PolarHBondContact O-N 3.16Å; L157-G160 PolarHBondContact O-N 3.42Å; K158-G160 VanDerWaalsContact C-N 3.27Å; K158-G160 PolarHBondContact O-N 2.63Å; G160-S162 PolarHBondContact O-N 3.14Å; G160-V163 WeakPolarHBondContact O-CB 3.44Å; G160-V163 PolarHBondContact O-N 3.34Å; G160-V163 VanDerWaalsContact O-N 3.14Å
161Q73.1Confident70.8Confident164 Ų164117.4 Ų117.477%0.76663%0.634SS**Hα-helixtrans-68.4-21.6175.9-64.2174.7-500113L157 K158 A159 V163L157-Q161 PolarHBondContact O-N 2.94Å; K158-Q161 WeakPolarHBondContact O-CB 3.38Å; K158-Q161 PolarHBondContact O-N 3.06Å; K158-Q161 VanDerWaalsContact O-N 3.16Å; A159-Q161 VanDerWaalsContact C-N 3.27Å; A159-Q161 PolarHBondContact O-N 3.19Å; Q161-V163 VanDerWaalsContact C-N 3.32Å
162S72.5Confident69.1Low91 Ų91115.2 Ų115.264%0.63663%0.63SS**THydrogen-bonded Turntrans-84.1-6.9174.671.30000113.6A159 G160 I164A159-S162 PolarHBondContact O-N 3.01Å; A159-S162 PolarHBondContact O-OG 3.26Å; G160-S162 PolarHBondContact O-N 3.14Å; S162-I164 PolarHBondContact O-N 3.2Å
163V68.1Low67.6Low111 Ų111114.7 Ų114.767%0.67364%0.638SS**  trans-83.196176-176.20000108.8G160 Q161 G165G160-V163 WeakPolarHBondContact O-CB 3.44Å; G160-V163 PolarHBondContact O-N 3.34Å; G160-V163 VanDerWaalsContact O-N 3.14Å; Q161-V163 VanDerWaalsContact C-N 3.32Å; V163-G165 PolarHBondContact O-N 3.37Å
164I59.9Low65.7Low117 Ų117113.8 Ų113.860%0.665%0.647SS**  trans-75.1116.9174.2-58.7176.5000107.8S162 M168S162-I164 PolarHBondContact O-N 3.2Å; I164-M168 HydrophobicContact CG2-CB 3.52Å; I164-M168 WeakPolarHBondContact CG2-O 3.46Å
165G62.8Low64.4Low41 Ų41110.2 Ų110.242%0.42364%0.64SS.*  trans-57.7150.717600000111.4V163 Q167 M168V163-G165 PolarHBondContact O-N 3.37Å; G165-Q167 PolarHBondContact O-N 3.06Å; G165-M168 PolarHBondContact O-N 2.79Å
166L59.8Low62.6Low176 Ų176116.2 Ų116.292%0.92166%0.657SS**THydrogen-bonded Turntrans-53.2-21.7-173.3-142.492.6000114.4
167Q55.1Low60.9Low195 Ų195113.8 Ų113.891%0.91166%0.662SS**THydrogen-bonded Turntrans-91.8-9.7179.6-62.8-165.7-18.400114.8G165G165-Q167 PolarHBondContact O-N 3.06Å
168M57.5Low59.3Low159 Ų159113 Ų11378%0.78368%0.677SS**SBendtrans-99.822.3-172.1-68.7-72.5-82.800113.6I164 G165I164-M168 HydrophobicContact CG2-CB 3.52Å; I164-M168 WeakPolarHBondContact CG2-O 3.46Å; G165-M168 PolarHBondContact O-N 2.79Å
169G52.5Low57.7Low57 Ų57112 Ų11259%0.58868%0.677SS**  trans117.997.4172.600000112.8
170T46.9Very low56.4Low80 Ų80115.4 Ų115.449%0.49169%0.692SS.*  trans-85.3123170.4164.30000109.8K172T170-K172 PolarHBondContact O-N 3.48Å; T170-K172 WeakPolarHBondContact OG1-CB 3.36Å; T170-K172 PolarHBondContact OG1-N 2.86Å; T170-K172 VanDerWaalsContact OG1-N 3.09Å
171N52.5Low54.9Low138 Ų138116 Ų11674%0.73869%0.693SS**THydrogen-bonded Turntrans-82.95168.870.9-13000112.7C173N171-C173 PolarHBondContact O-N 3.09Å
172K44.4Very low53.5Low190 Ų190117.7 Ų117.783%0.82669%0.694SS**THydrogen-bonded Turntrans-80.5-1.1179.3-60.4-173.8175.3-178.30113.2T170T170-K172 PolarHBondContact O-N 3.48Å; T170-K172 WeakPolarHBondContact OG1-CB 3.36Å; T170-K172 PolarHBondContact OG1-N 2.86Å; T170-K172 VanDerWaalsContact OG1-N 3.09Å
173C54.6Low52.3Low89 Ų89116.5 Ų116.560%0.60170%0.696SS**SBendtrans-94.6153.4175-61.20000110.4N171 S175N171-C173 PolarHBondContact O-N 3.09Å; C173-S175 PolarHBondContact O-N 2.86Å; C173-S175 VanDerWaalsContact O-N 3.11Å
174A48.2Very low51.3Low99 Ų99114.6 Ų114.682%0.81868%0.684SS**PPolyproline II helixtrans-59.1116.5179.400000110.6
175S53.7Low50.5Low88 Ų88119.4 Ų119.462%0.61570%0.695SS**PPolyproline II helixtrans-73.4136.2167.7175.10000109.1C173 A177C173-S175 PolarHBondContact O-N 2.86Å; C173-S175 VanDerWaalsContact O-N 3.11Å; S175-A177 PolarHBondContact O-N 3.08Å; S175-A177 VanDerWaalsContact O-N 3.13Å; S175-A177 WeakPolarHBondContact OG-CB 3.17Å; S175-A177 PolarHBondContact OG-N 3.4Å; S175-A177 VanDerWaalsContact OG-N 3.13Å
176Q45.7Very low49.7Very low167 Ų167126.5 Ų126.578%0.7871%0.709SS**SBendtrans-66.3-5.1171.1-165.6177.427.100112.1G178 M179Q176-G178 PolarHBondContact O-N 3.36Å; Q176-M179 HydrophobicContact CG-CB 4.48Å; Q176-M179 PolarHBondContact O-N 3.12Å
177A46.9Very low49.1Very low84 Ų84126.8 Ų126.869%0.69471%0.705SS**THydrogen-bonded Turntrans-62.6116.9172.800000110.4S175S175-A177 PolarHBondContact O-N 3.08Å; S175-A177 VanDerWaalsContact O-N 3.13Å; S175-A177 WeakPolarHBondContact OG-CB 3.17Å; S175-A177 PolarHBondContact OG-N 3.4Å; S175-A177 VanDerWaalsContact OG-N 3.13Å
178G51.3Low48.5Very low81 Ų81125.8 Ų125.884%0.83571%0.705SS**THydrogen-bonded Turntrans94.73179.600000115.5Q176Q176-G178 PolarHBondContact O-N 3.36Å
179M46.9Very low47.8Very low132 Ų132125.5 Ų125.565%0.6570%0.697SS**PPolyproline II helixtrans-77.5123.6169.8-61.4-160.5102.200110.3Q176Q176-M179 HydrophobicContact CG-CB 4.48Å; Q176-M179 PolarHBondContact O-N 3.12Å
180T52.5Low47.4Very low122 Ų122126.8 Ų126.875%0.74869%0.69SS**PPolyproline II helixtrans-76.4128.2176.9-8.80000109.4T184T180-T184 WeakPolarHBondContact CB-OG1 3.38Å; T180-T184 WeakPolarHBondContact CG2-OG1 3.22Å
181A47Very low47.3Very low54 Ų54128.3 Ų128.345%0.44670%0.701SS.*PPolyproline II helixtrans-63.4147.4-176.600000112.2G183 T184A181-G183 PolarHBondContact O-N 3.41Å; A181-T184 HydrophobicContact CB-CG2 4.45Å; A181-T184 PolarHBondContact N-OG1 2.81Å; A181-T184 PolarHBondContact O-N 3.11Å; A181-T184 PolarHBondContact O-OG1 3.13Å
182Y43.8Very low47Very low200 Ų200130.8 Ų130.878%0.78471%0.705SS**THydrogen-bonded Turntrans-53.2124.5178.8-148-91.3000110.6V260Y182-V260 HydrophobicContact CE2-CB 4.49Å; Y182-V260 HydrophobicContact CE2-CG1 4.15Å; Y182-V260 HydrophobicContact CE2-CG2 4.09Å; Y182-V260 WeakPolarHBondContact OH-CG1 3.45Å
183G49.2Very low47.1Very low66 Ų66128.1 Ų128.168%0.6870%0.698SS**THydrogen-bonded Turntrans91.8-0.6-177.700000116.5A181A181-G183 PolarHBondContact O-N 3.41Å
184T46.2Very low46.8Very low71 Ų71133.6 Ų133.644%0.43671%0.714SS.*  trans-72.5129.8170.840.60000111.3T180 A181T180-T184 WeakPolarHBondContact CB-OG1 3.38Å; T180-T184 WeakPolarHBondContact CG2-OG1 3.22Å; A181-T184 HydrophobicContact CB-CG2 4.45Å; A181-T184 PolarHBondContact N-OG1 2.81Å; A181-T184 PolarHBondContact O-N 3.11Å; A181-T184 PolarHBondContact O-OG1 3.13Å
185R43.7Very low46.6Very low218 Ų218133 Ų13382%0.82370%0.7SS**  trans-69.1132.4-178.7-58.3-167.2-170.1-1173.4109.9H187R185-H187 PolarHBondContact O-N 3.2Å
186R46Very low46.2Very low190 Ų190136.7 Ų136.772%0.71771%0.714SS**  trans-72113.8171.2-75.5-176.7153.7163.40109.1L188 S259R186-L188 PolarHBondContact O-N 3.17Å; R186-S259 VanDerWaalsContact CZ-OG 3.3Å; R186-S259 PolarHBondContact NH1-OG 3.1Å; R186-S259 PolarHBondContact NH2-OG 3.14Å
187H47.4Very low46.1Very low182 Ų182138 Ų13884%0.84372%0.716SS**  trans-68.6119.7169.1-78.2-102.8000108.7R185 Y189R185-H187 PolarHBondContact O-N 3.2Å; H187-Y189 PolarHBondContact O-N 3.21Å
188L42.3Very low46.1Very low174 Ų174140.1 Ų140.191%0.91172%0.724SS**  trans-70.9113.1171.6-153.372.2000106.9R186 D190R186-L188 PolarHBondContact O-N 3.17Å; L188-D190 PolarHBondContact O-N 3.4Å
189Y42.4Very low45.9Very low154 Ų154145.9 Ų145.960%0.60473%0.726SS**  trans-74.6118-177.9-159.8-92.6000109H187 P191 T195H187-Y189 PolarHBondContact O-N 3.21Å; Y189-P191 WeakPolarHBondContact O-CD 3.11Å; Y189-T195 WeakPolarHBondContact CE2-OG1 3.41Å; Y189-T195 PolarHBondContact OH-OG1 2.79Å
190D42.7Very low45.6Very low83 Ų83145.2 Ų145.244%0.44473%0.725SS.*  trans-86.3115.9165.9-175-10.6000107.9L188 K192 M193L188-D190 PolarHBondContact O-N 3.4Å; D190-K192 PolarHBondContact O-N 3.29Å; D190-K192 PolarHBondContact OD1-N 3.28Å; D190-K192 VanDerWaalsContact OD1-N 3.14Å; D190-M193 PolarHBondContact O-N 3.13Å; D190-M193 VanDerWaalsContact O-N 3.12Å
191P45.1Very low45.5Very low113 Ų113148.2 Ų148.273%0.73473%0.73SS**THydrogen-bonded Turntrans-58.9-8.4-179.3-21.532.1000114.9Y189Y189-P191 WeakPolarHBondContact O-CD 3.11Å
192K47Very low45.4Very low189 Ų189150.9 Ų150.982%0.82274%0.741SS**THydrogen-bonded Turntrans-87.9-11.1178.5-63.3-178.3-178.51760114.3D190 Q194D190-K192 PolarHBondContact O-N 3.29Å; D190-K192 PolarHBondContact OD1-N 3.28Å; D190-K192 VanDerWaalsContact OD1-N 3.14Å; K192-Q194 PolarHBondContact O-N 3.13Å
193M47Very low45.3Very low135 Ų135147.1 Ų147.167%0.66574%0.739SS**SBendtrans-91.299172.5-68.3-166.2-163.300109.9D190 T195D190-M193 PolarHBondContact O-N 3.13Å; D190-M193 VanDerWaalsContact O-N 3.12Å; M193-T195 PolarHBondContact O-N 3.13Å; M193-T195 PolarHBondContact O-OG1 3Å
194Q47.6Very low45Very low203 Ų203149.9 Ų149.995%0.94974%0.737SS**  trans-53.299.1174.1-130.5172.127.600109.8K192K192-Q194 PolarHBondContact O-N 3.13Å
195T44.5Very low45.1Very low86 Ų86150.2 Ų150.253%0.52874%0.743SS.*  trans-124.5134.616943.10000108.5Y189 M193Y189-T195 WeakPolarHBondContact CE2-OG1 3.41Å; Y189-T195 PolarHBondContact OH-OG1 2.79Å; M193-T195 PolarHBondContact O-N 3.13Å; M193-T195 PolarHBondContact O-OG1 3Å
196D45.9Very low45Very low167 Ų167148.4 Ų148.489%0.89375%0.748SS**PPolyproline II helixtrans-59.9141.3-166.9-69.8-46.1000113
197K43.6Very low44.8Very low193 Ų193147.3 Ų147.384%0.83975%0.751SS**PPolyproline II helixtrans-61.3143.2177-68.8177.3179.5174.70110.2F199K197-F199 PolarHBondContact O-N 3.07Å
198P45.4Very low44.6Very low130 Ų130146 Ų14684%0.84475%0.747SS**PPolyproline II helixtrans-61.7133.2178.125.2-32.3000110.6
199F47.9Very low44.6Very low202 Ų202141.4 Ų141.489%0.88674%0.742SS**PPolyproline II helixtrans-61.8149.5-177.8-109.1-92.7000112.6K197 Q201K197-F199 PolarHBondContact O-N 3.07Å; F199-Q201 PolarHBondContact O-N 2.89Å
200D40.9Very low44.4Very low117 Ų117137.7 Ų137.763%0.62674%0.736SS**PPolyproline II helixtrans-55.5121.7178.9-172.4-2.6000112.1T202D200-T202 VanDerWaalsContact C-N 3.32Å; D200-T202 WeakPolarHBondContact OD1-CB 3.45Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.48Å; D200-T202 PolarHBondContact OD1-N 3.27Å; D200-T202 VanDerWaalsContact OD1-N 3.08Å; D200-T202 PolarHBondContact OD1-OG1 2.63Å; D200-T202 PolarHBondContact OD2-OG1 3.08Å; D200-T202 VanDerWaalsContact OD2-OG1 3.06Å
201Q50.6Low44.5Very low185 Ų185141.1 Ų141.186%0.86475%0.754SS**THydrogen-bonded Turntrans-85.53.8-177.8-81.8179-21.300113.8F199 T203F199-Q201 PolarHBondContact O-N 2.89Å; Q201-T203 VanDerWaalsContact C-N 3.31Å; Q201-T203 PolarHBondContact O-N 3.45Å
202T44.3Very low44.2Very low110 Ų110144.9 Ų144.968%0.67576%0.758SS**THydrogen-bonded Turntrans-77.7-10.9-173.757.40000114.6D200D200-T202 VanDerWaalsContact C-N 3.32Å; D200-T202 WeakPolarHBondContact OD1-CB 3.45Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.48Å; D200-T202 PolarHBondContact OD1-N 3.27Å; D200-T202 VanDerWaalsContact OD1-N 3.08Å; D200-T202 PolarHBondContact OD1-OG1 2.63Å; D200-T202 PolarHBondContact OD2-OG1 3.08Å; D200-T202 VanDerWaalsContact OD2-OG1 3.06Å
203T41.8Very low44.4Very low121 Ų121138.3 Ų138.374%0.74274%0.744SS**  trans-113.8109.2-178.5-54.90000111.8Q201Q201-T203 VanDerWaalsContact C-N 3.31Å; Q201-T203 PolarHBondContact O-N 3.45Å
204I43.6Very low44.2Very low124 Ų124137.3 Ų137.364%0.63676%0.758SS**  trans-90.7115.7176.6-57173.3000108.6M208I204-M208 HydrophobicContact CG2-CB 3.8Å; I204-M208 HydrophobicContact CG2-CG 4.23Å
205S46.4Very low44.2Very low79 Ų79131.7 Ų131.755%0.55274%0.741SS**  trans-78.6148.4172.646.90000111.5Q207 M208S205-Q207 PolarHBondContact O-N 3.25Å; S205-M208 PolarHBondContact O-N 3.18Å; S205-M208 VanDerWaalsContact O-N 3.12Å
206L42.3Very low44.2Very low180 Ų180135.5 Ų135.594%0.94275%0.753SS**G310 helixtrans-52.9-13.3-170.3-159.469.5000115.5
207Q43Very low44Very low167 Ų167131.6 Ų131.678%0.7874%0.744SS**G310 helixtrans-84.8-12.7-177.4-154.6171.93.900113.8S205 G209S205-Q207 PolarHBondContact O-N 3.25Å; Q207-G209 VanDerWaalsContact C-N 3.26Å; Q207-G209 PolarHBondContact O-N 3.07Å
208M41.8Very low44.1Very low154 Ų154126.4 Ų126.476%0.75975%0.745SS**G310 helixtrans-80.63.6-175.4-70.1-90.2-85.800114.5I204 S205I204-M208 HydrophobicContact CG2-CB 3.8Å; I204-M208 HydrophobicContact CG2-CG 4.23Å; S205-M208 PolarHBondContact O-N 3.18Å; S205-M208 VanDerWaalsContact O-N 3.12Å
209G42.2Very low43.8Very low77 Ų77127.3 Ų127.379%0.79474%0.74SS**G310 helixtrans-117.95.5-177.900000115.5Q207Q207-G209 VanDerWaalsContact C-N 3.26Å; Q207-G209 PolarHBondContact O-N 3.07Å
210T38.3Very low43.6Very low77 Ų77124 Ų12447%0.47273%0.731SS.*  trans-103.8125.9-1771260000110.8K212T210-K212 PolarHBondContact O-N 3.4Å; T210-K212 PolarHBondContact OG1-N 3.14Å; T210-K212 VanDerWaalsContact OG1-N 3.13Å
211N46.2Very low43.8Very low155 Ų155120.8 Ų120.883%0.82972%0.72SS**THydrogen-bonded Turntrans-78.29.317072.7-12.8000113.5
212K37.6Very low43.2Very low191 Ų191118.7 Ų118.783%0.8372%0.723SS**THydrogen-bonded Turntrans-95.53.8-178.8-67.8-167.1175.4-175.90113.8T210T210-K212 PolarHBondContact O-N 3.4Å; T210-K212 PolarHBondContact OG1-N 3.14Å; T210-K212 VanDerWaalsContact OG1-N 3.13Å
213G50.5Low43.3Very low51 Ų51117.4 Ų117.453%0.52673%0.731SS.*SBendtrans-99.1153.2172.400000111.8S215G213-S215 PolarHBondContact O-N 3.44Å; G213-S215 VanDerWaalsContact O-N 3.08Å
214A43Very low43.2Very low114 Ų114115.6 Ų115.694%0.94272%0.72SS**PPolyproline II helixtrans-53.6116.2176.400000110.6
215S49.2Very low42.9Very low86 Ų86120.9 Ų120.960%0.60173%0.732SS**PPolyproline II helixtrans-85.7133.8174134.20000108.6G213 A217G213-S215 PolarHBondContact O-N 3.44Å; G213-S215 VanDerWaalsContact O-N 3.08Å; S215-A217 PolarHBondContact O-N 3.48Å; S215-A217 VanDerWaalsContact O-N 3.1Å; S215-A217 WeakPolarHBondContact OG-CB 3.18Å; S215-A217 PolarHBondContact OG-N 2.89Å; S215-A217 VanDerWaalsContact OG-N 3.11Å
216Q44.6Very low42.6Very low165 Ų165127.8 Ų127.877%0.77175%0.746SS**  trans-68.8-1.3175.6-163.1177.647.900112.9G218 M219Q216-G218 PolarHBondContact O-N 3.14Å; Q216-G218 VanDerWaalsContact O-N 3.11Å; Q216-M219 HydrophobicContact CG-CB 4.19Å; Q216-M219 HydrophobicContact CG-SD 4.47Å; Q216-M219 PolarHBondContact O-N 2.9Å; Q216-M219 VanDerWaalsContact O-N 3.13Å
217A40Very low42.4Very low85 Ų85125.4 Ų125.470%0.70273%0.734SS**THydrogen-bonded Turntrans-58.1118174.800000110.3S215S215-A217 PolarHBondContact O-N 3.48Å; S215-A217 VanDerWaalsContact O-N 3.1Å; S215-A217 WeakPolarHBondContact OG-CB 3.18Å; S215-A217 PolarHBondContact OG-N 2.89Å; S215-A217 VanDerWaalsContact OG-N 3.11Å
218G46Very low42.3Very low84 Ų84125.6 Ų125.687%0.86674%0.739SS**THydrogen-bonded Turntrans98.7-1.5179.800000115.8Q216Q216-G218 PolarHBondContact O-N 3.14Å; Q216-G218 VanDerWaalsContact O-N 3.11Å
219M39.5Very low42.3Very low150 Ų150127.8 Ų127.874%0.73974%0.74SS**PPolyproline II helixtrans-86.8119.3173.7-64-166.375.800111.3Q216Q216-M219 HydrophobicContact CG-CB 4.19Å; Q216-M219 HydrophobicContact CG-SD 4.47Å; Q216-M219 PolarHBondContact O-N 2.9Å; Q216-M219 VanDerWaalsContact O-N 3.13Å
220L44.2Very low41.9Very low133 Ų133130.1 Ų130.170%0.69673%0.734SS**PPolyproline II helixtrans-78.6137.9171.2-75.6162.5000110.4T224L220-T224 HydrophobicContact CD2-CG2 4.35Å
221A43.9Very low42.3Very low49 Ų49135.2 Ų135.241%0.40575%0.753SS.*PPolyproline II helixtrans-65.7145.8179.300000111.1G223 T224A221-G223 PolarHBondContact O-N 3.12Å; A221-G223 VanDerWaalsContact O-N 3.1Å; A221-T224 PolarHBondContact O-N 2.71Å; A221-T224 PolarHBondContact O-OG1 3.36Å; A221-T224 VanDerWaalsContact O-OG1 3.14Å
222P38.9Very low42.1Very low141 Ų141136.2 Ų136.292%0.91675%0.75SS**THydrogen-bonded Turntrans-56.1119.9177.3-22.432.2000111
223G45.3Very low42.4Very low83 Ų83134.7 Ų134.786%0.85675%0.75SS**THydrogen-bonded Turntrans107.5-1.9177.800000116.3A221A221-G223 PolarHBondContact O-N 3.12Å; A221-G223 VanDerWaalsContact O-N 3.1Å
224T40.2Very low41.9Very low82 Ų82138.2 Ų138.250%0.50376%0.761SS.*PPolyproline II helixtrans-76.3131.5171.9-39.80000110.6L220 A221L220-T224 HydrophobicContact CD2-CG2 4.35Å; A221-T224 PolarHBondContact O-N 2.71Å; A221-T224 PolarHBondContact O-OG1 3.36Å; A221-T224 VanDerWaalsContact O-OG1 3.14Å
225R37.7Very low42.1Very low235 Ų235140.5 Ų140.589%0.88776%0.757SS**PPolyproline II helixtrans-61.9139177.8-79.3-170.8174.6-170.3-0.9110.3
226R39.4Very low41.8Very low224 Ų224144 Ų14485%0.84576%0.764SS**PPolyproline II helixtrans-91.3120.2175.3-70.6-168.9-92.3-176.1-5.8109.2
227D38.4Very low41.9Very low131 Ų131141.8 Ų141.870%0.70176%0.763SS**PPolyproline II helixtrans-82.2127.4164.2-65.9-32.3000108.7Y229D227-Y229 HydrophobicContact CB-CD2 4.21Å; D227-Y229 HydrophobicContact CB-CE2 3.88Å; D227-Y229 PolarHBondContact O-N 3.26Å
228I41Very low42.3Very low171 Ų171143.7 Ų143.788%0.87777%0.766SS**  trans-84.5107.9177.2-58.6174.2000107.2
229Y42.3Very low42.1Very low200 Ų200145.3 Ų145.378%0.78476%0.755SS**  trans-98135168.3-79.7-87.7000110D227 Q231D227-Y229 HydrophobicContact CB-CD2 4.21Å; D227-Y229 HydrophobicContact CB-CE2 3.88Å; D227-Y229 PolarHBondContact O-N 3.26Å; Y229-Q231 PolarHBondContact O-N 3.11Å
230D34.6Very low42.7Very low126 Ų126145.4 Ų145.467%0.67476%0.758SS**  trans-68.5127.1175.9-166.4-3.6000110.1K232D230-K232 PolarHBondContact O-N 3.47Å
231Q45.1Very low42.9Very low184 Ų184143 Ų14386%0.8675%0.753SS**THydrogen-bonded Turntrans-74.318-168.8-156.8175.50.900113.4Y229Y229-Q231 PolarHBondContact O-N 3.11Å
232K43.2Very low43.1Very low176 Ų176146.3 Ų146.377%0.76577%0.768SS**THydrogen-bonded Turntrans-105.4-7.6-179.8-69.9-172.6-179.4177.40114.6D230 T234D230-K232 PolarHBondContact O-N 3.47Å; K232-T234 PolarHBondContact O-N 3.13Å
233L43.8Very low43.5Very low158 Ų158146.3 Ų146.383%0.82776%0.759SS**  trans-93.285.5162.9-97.784.9000109.4L235L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.1Å
234T38.8Very low43.6Very low125 Ų125146.1 Ų146.177%0.76774%0.744SS**  trans-65.991.4165.441.50000109K232 Q236K232-T234 PolarHBondContact O-N 3.13Å; T234-Q236 PolarHBondContact O-N 3.11Å; T234-Q236 VanDerWaalsContact O-N 3.07Å
235L47.3Very low43.8Very low162 Ų162151.1 Ų151.185%0.84877%0.767SS**  trans-64.7109.7160.5-79.3166.9000107L233L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.1Å
236Q43.1Very low44.1Very low161 Ų161147.8 Ų147.875%0.75276%0.762SS**  trans-50.5131.4173.1-78.8-84.219.500109.1T234 V238T234-Q236 PolarHBondContact O-N 3.11Å; T234-Q236 VanDerWaalsContact O-N 3.07Å; Q236-V238 PolarHBondContact O-N 2.73Å
237P46.5Very low44.1Very low117 Ų117144.9 Ų144.976%0.7676%0.76SS**  trans-63.9109.6170.114.9-11.4000107.8
238V49.6Very low44.6Very low125 Ų125142.2 Ų142.276%0.75876%0.763SS**  trans-67.5137.5174.2170.70000108.6Q236 N240Q236-V238 PolarHBondContact O-N 2.73Å; V238-N240 PolarHBondContact O-N 2.99Å
239D42.1Very low44.6Very low119 Ų119138 Ų13864%0.63675%0.745SS**  trans-56.1124.5178.6-175.28.3000111.7S241D239-S241 VanDerWaalsContact C-N 3.29Å; D239-S241 WeakPolarHBondContact OD1-CB 3.5Å; D239-S241 PolarHBondContact OD1-N 3.32Å; D239-S241 PolarHBondContact OD1-OG 3.37Å; D239-S241 WeakPolarHBondContact OD2-CB 3.11Å; D239-S241 PolarHBondContact OD2-OG 3.3Å
240N51.6Low44.9Very low151 Ų151135.7 Ų135.781%0.80775%0.747SS**  trans-88.49.5175.8-83.15.1000112.7V238 T242V238-N240 PolarHBondContact O-N 2.99Å; N240-T242 PolarHBondContact O-N 2.6Å
241S48.3Very low45.3Very low83 Ų83138.6 Ų138.658%0.5875%0.753SS**SBendtrans-66.6-20.4-176.568.60000114.3D239D239-S241 VanDerWaalsContact C-N 3.29Å; D239-S241 WeakPolarHBondContact OD1-CB 3.5Å; D239-S241 PolarHBondContact OD1-N 3.32Å; D239-S241 PolarHBondContact OD1-OG 3.37Å; D239-S241 WeakPolarHBondContact OD2-CB 3.11Å; D239-S241 PolarHBondContact OD2-OG 3.3Å
242T48.6Very low45.5Very low119 Ų119135.7 Ų135.773%0.7375%0.748SS**  trans-126.3101.3-176.7-45.20000111.3N240 S244N240-T242 PolarHBondContact O-N 2.6Å; T242-S244 PolarHBondContact O-N 3.43Å
243I47.3Very low45.3Very low140 Ų140131.8 Ų131.872%0.71875%0.749SS**  trans-78.2115.7170.1-62170.9000107.6M247I243-M247 HydrophobicContact CG2-CB 4.46Å
244S47.3Very low45.4Very low79 Ų79128.5 Ų128.555%0.55274%0.739SS**  trans-69.7142.2173.950.60000110.8T242 Q246 M247T242-S244 PolarHBondContact O-N 3.43Å; S244-Q246 PolarHBondContact O-N 3.04Å; S244-M247 PolarHBondContact O-N 3.21Å
245L43.6Very low45.7Very low187 Ų187129.4 Ų129.498%0.97973%0.734SS**THydrogen-bonded Turntrans-56.5-6.3-172.1-13783.6000115.4
246Q43.4Very low45.3Very low166 Ų166130.5 Ų130.578%0.77673%0.732SS**THydrogen-bonded Turntrans-93.4-15.2-174.5-143.9172.34.500113.4S244 G248S244-Q246 PolarHBondContact O-N 3.04Å; Q246-G248 PolarHBondContact O-N 3.07Å; Q246-G248 VanDerWaalsContact O-N 3.17Å
247M40.4Very low45.4Very low163 Ų163126.5 Ų126.580%0.80373%0.734SS**THydrogen-bonded Turntrans-86.979174.4-77.5-80.9-98.300110.4I243 S244I243-M247 HydrophobicContact CG2-CB 4.46Å; S244-M247 PolarHBondContact O-N 3.21Å
248G48.3Very low45.1Very low75 Ų75126.9 Ų126.977%0.77373%0.727SS**THydrogen-bonded Turntrans158.813.2177.100000116.9Q246Q246-G248 PolarHBondContact O-N 3.07Å; Q246-G248 VanDerWaalsContact O-N 3.17Å
249T42.4Very low45.1Very low82 Ų82124.1 Ų124.150%0.50371%0.714SS.*  trans-80.8127175.5139.20000110.6K251T249-K251 VanDerWaalsContact C-N 3.31Å; T249-K251 PolarHBondContact OG1-N 2.95Å
250N48.3Very low45.1Very low152 Ų152122.6 Ų122.681%0.81371%0.708SS**  trans-89.515.1172.179.3-19.6000113.4V252N250-V252 PolarHBondContact O-N 3.06Å; N250-V252 VanDerWaalsContact O-N 3.13Å
251K42.6Very low44.5Very low187 Ų187125.9 Ų125.981%0.81371%0.711SS**  trans-74.73.8-175.4-70.4-165.1175.5-175.40114.4T249T249-K251 VanDerWaalsContact C-N 3.31Å; T249-K251 PolarHBondContact OG1-N 2.95Å
252V48.9Very low44.3Very low122 Ų122125.9 Ų125.974%0.73972%0.724SS**SBendtrans-130.8153.6-179.4-72.70000111.9N250N250-V252 PolarHBondContact O-N 3.06Å; N250-V252 VanDerWaalsContact O-N 3.13Å
253A38.4Very low43.7Very low95 Ų95127.1 Ų127.179%0.78573%0.725SS**  trans-54.8137-16900000113.8
254S47.5Very low43.6Very low89 Ų89124.1 Ų124.162%0.62273%0.729SS**  trans-76.2120.7170.2-177.40000109.9K256S254-K256 PolarHBondContact O-N 3.02Å; S254-K256 VanDerWaalsContact O-N 3.07Å
255Q43.2Very low43.3Very low144 Ų144131.1 Ų131.167%0.67374%0.743SS**  trans-73.714.1175.7-82.5-177.19.600114.1G257 M258Q255-G257 PolarHBondContact O-N 3.37Å; Q255-M258 HydrophobicContact CG-SD 4.15Å; Q255-M258 PolarHBondContact O-N 2.93Å
256K40.1Very low43.3Very low185 Ų185131.3 Ų131.380%0.80474%0.739SS**THydrogen-bonded Turntrans-59113179.5-171.1179.1-179.7-177.80109.7S254S254-K256 PolarHBondContact O-N 3.02Å; S254-K256 VanDerWaalsContact O-N 3.07Å
257G45.8Very low43.3Very low77 Ų77129.1 Ų129.179%0.79474%0.737SS**THydrogen-bonded Turntrans85.41.9178.800000115.9Q255Q255-G257 PolarHBondContact O-N 3.37Å
258M39.2Very low43.4Very low124 Ų124129.4 Ų129.461%0.61173%0.73SS**PPolyproline II helixtrans-76.6131.5175.3-68.5-171.379.900110.9Q255Q255-M258 HydrophobicContact CG-SD 4.15Å; Q255-M258 PolarHBondContact O-N 2.93Å
259S49.4Very low43.2Very low68 Ų68128.8 Ų128.848%0.47671%0.709SS.*PPolyproline II helixtrans-87.4127.8169.6-152.80000108.8R186R186-S259 VanDerWaalsContact CZ-OG 3.3Å; R186-S259 PolarHBondContact NH1-OG 3.1Å; R186-S259 PolarHBondContact NH2-OG 3.14Å
260V42.2Very low43.4Very low86 Ų86129.4 Ų129.452%0.52171%0.714SS.*PPolyproline II helixtrans-61.2137.7178.61660000111.2Y182Y182-V260 HydrophobicContact CE2-CB 4.49Å; Y182-V260 HydrophobicContact CE2-CG1 4.15Å; Y182-V260 HydrophobicContact CE2-CG2 4.09Å; Y182-V260 WeakPolarHBondContact OH-CG1 3.45Å
261Y38.8Very low43.3Very low221 Ų221131 Ų13187%0.86771%0.714SS**THydrogen-bonded Turntrans-68.3132.3173.2-77.7-86.9000110.4
262G44.1Very low43.4Very low82 Ų82131.2 Ų131.285%0.84571%0.711SS**THydrogen-bonded Turntrans119.96.4166.800000117.9
263L37.4Very low43.2Very low146 Ų146128 Ų12876%0.76469%0.694SS**  trans-111.7132.4170.1-91.9162.3000111.9R265L263-R265 PolarHBondContact O-N 3.28Å
264G44.2Very low43.5Very low77 Ų77128.3 Ų128.379%0.79470%0.696SS**  trans-57.2129.9-178.800000112Q266G264-Q266 PolarHBondContact O-N 3.49Å
265R41.8Very low43.4Very low225 Ų225128 Ų12885%0.84970%0.699SS**  trans-68129.8168.5-65.6177.9178.7-99.71.2107.4L263 V267L263-R265 PolarHBondContact O-N 3.28Å; R265-V267 VanDerWaalsContact C-N 3.29Å; R265-V267 HydrophobicContact CB-CG2 4.33Å; R265-V267 PolarHBondContact O-N 2.95Å
266Q43Very low43.4Very low191 Ų191127.2 Ų127.289%0.89371%0.706SS**  trans-67.198.3160.6-100.5177-15.600107G264G264-Q266 PolarHBondContact O-N 3.49Å
267V43.8Very low43.5Very low120 Ų120124.6 Ų124.673%0.72771%0.706SS**  trans-81.7114.3168.9-179.90000106.2R265 D269R265-V267 VanDerWaalsContact C-N 3.29Å; R265-V267 HydrophobicContact CB-CG2 4.33Å; R265-V267 PolarHBondContact O-N 2.95Å; V267-D269 PolarHBondContact O-N 3.42Å
268Y42.7Very low42.9Very low169 Ų169129.3 Ų129.366%0.66371%0.707SS**  trans-79.9105.7167.5-177.2-96000107.4P270 C273Y268-P270 HydrophobicContact CD1-CG 4.24Å; Y268-P270 HydrophobicContact CE1-CB 4.45Å; Y268-P270 HydrophobicContact CE1-CG 4.01Å; Y268-C273 HydrophobicContact CE2-CB 3.73Å; Y268-C273 VanDerWaalsContact CE2-SG 3.59Å
269D42.9Very low43.1Very low63 Ų63128.9 Ų128.934%0.33771%0.714SS.*  trans-101112.8170.1-173.8-13.4000108.7V267 K271 Y272 C273V267-D269 PolarHBondContact O-N 3.42Å; D269-K271 PolarHBondContact O-N 3.45Å; D269-K271 WeakPolarHBondContact OD1-CB 3.46Å; D269-K271 PolarHBondContact OD1-N 3.42Å; D269-Y272 HydrophobicContact CB-CD2 3.93Å; D269-Y272 PolarHBondContact O-N 3.46Å; D269-Y272 WeakPolarHBondContact OD2-CD2 3.3Å; D269-Y272 VanDerWaalsContact OD2-CE2 3.3Å; D269-Y272 WeakPolarHBondContact OD2-CE2 3.42Å; D269-C273 PolarHBondContact O-N 3.47Å
270P46.6Very low42.2Very low94 Ų94132.3 Ų132.361%0.6173%0.732SS**THydrogen-bonded Turntrans-57.6-16.8178.4-22.132000114.3Y268 Y272Y268-P270 HydrophobicContact CD1-CG 4.24Å; Y268-P270 HydrophobicContact CE1-CB 4.45Å; Y268-P270 HydrophobicContact CE1-CG 4.01Å; P270-Y272 VanDerWaalsContact C-N 3.32Å
271K47.2Very low42.2Very low185 Ų185135 Ų13580%0.80474%0.741SS**THydrogen-bonded Turntrans-72.2-21.7175.7-85-179.6172.5176.70114.3D269D269-K271 PolarHBondContact O-N 3.45Å; D269-K271 WeakPolarHBondContact OD1-CB 3.46Å; D269-K271 PolarHBondContact OD1-N 3.42Å
272Y45Very low41.8Very low192 Ų192133 Ų13375%0.75374%0.74SS**THydrogen-bonded Turntrans-116.6-1.2-175.7-56.8-74.6000113.5D269 P270D269-Y272 HydrophobicContact CB-CD2 3.93Å; D269-Y272 PolarHBondContact O-N 3.46Å; D269-Y272 WeakPolarHBondContact OD2-CD2 3.3Å; D269-Y272 VanDerWaalsContact OD2-CE2 3.3Å; D269-Y272 WeakPolarHBondContact OD2-CE2 3.42Å; P270-Y272 VanDerWaalsContact C-N 3.32Å
273C44.7Very low41.2Very low55 Ų55136 Ų13637%0.37274%0.737SS.*SBendtrans-105.8105.1173.1-63.20000109.2Y268 D269 A275Y268-C273 HydrophobicContact CE2-CB 3.73Å; Y268-C273 VanDerWaalsContact CE2-SG 3.59Å; D269-C273 PolarHBondContact O-N 3.47Å; C273-A275 PolarHBondContact O-N 2.9Å
274A44.7Very low40.7Very low102 Ų102132.4 Ų132.484%0.84374%0.735SS**  trans-58.3135.5175.800000110.9
275A44.3Very low40.1Very low82 Ų82133.8 Ų133.868%0.67873%0.732SS**  trans-66.5143176.100000110.7C273 T277C273-A275 PolarHBondContact O-N 2.9Å; A275-T277 PolarHBondContact O-N 3.01Å
276P43.5Very low39.9Very low128 Ų128132.2 Ų132.283%0.83173%0.734SS**  trans-82.987.5-172.433.1-32.4000110.4
277T43.4Very low39.2Very low129 Ų129126.8 Ų126.879%0.79173%0.729SS**  trans-135.980.1159.743.90000109.2A275A275-T277 PolarHBondContact O-N 3.01Å
278E33Very low39Very low176 Ų176128.5 Ų128.582%0.82274%0.74SS**  161.2141.7129.5-87.5-170.7179.600109.7V280E278-V280 PolarHBondContact O-N 3.15Å; E278-V280 VanDerWaalsContact O-N 3.15Å
279P41.6Very low38.4Very low116 Ų116124 Ų12475%0.75375%0.745SS**  trans-81.7100.3-173.232.8-30.5000109.7I281P279-I281 PolarHBondContact O-N 3.15Å; P279-I281 VanDerWaalsContact O-N 3.15Å
280V32.4Very low38.3Very low140 Ų140127 Ų12785%0.84877%0.766SS**  trans-79.896162.2-176.30000107.8E278E278-V280 PolarHBondContact O-N 3.15Å; E278-V280 VanDerWaalsContact O-N 3.15Å
281I40.3Very low37.6Very low141 Ų141130.1 Ų130.172%0.72378%0.778SS**  trans-73.9118163.1-60.3179.5000107.1P279P279-I281 PolarHBondContact O-N 3.15Å; P279-I281 VanDerWaalsContact O-N 3.15Å
282H32.1Very low36.8Very low179 Ų179125 Ų12583%0.82978%0.778SS**  trans-145.5123.5147.3-143.5-78.8000112.9
283N31Very low36.2Very low147 Ų147121.8 Ų121.879%0.78678%0.783SS**  trans-58.2150.9170.1-84.2-26.7000112.5
284G26.7Very low35.6Very low70 Ų70128.1 Ų128.172%0.72281%0.807SS**  trans128.2108144.900000116.4
285S32.3Very low35.2Very low105 Ų105131.8 Ų131.873%0.73481%0.811SS**  41.7117.5125.4-176.20000120.4
286Q36.3Very low34.7Very low193 Ų193132.7 Ų132.790%0.90281%0.812SS**  trans47.2120.8139.7-63.2-171.1-25.100119.7
287G28.6Very low34.3Very low76 Ų76134.4 Ų134.478%0.78481%0.814SS**  trans-178.497.615900000112.3G289G287-G289 PolarHBondContact O-N 3.28Å
288T39.7Very low34Very low156 Ų156132.7 Ų132.796%0.95781%0.808SS**  trans-58.5123.4159.444.90000109.2
289G29.7Very low33.8Very low74 Ų74132.4 Ų132.476%0.76381%0.812SS**  trans-148.1100.9176.400000110.5G287G287-G289 PolarHBondContact O-N 3.28Å
290T40.4Very low33.5Very low126 Ų126138 Ų13877%0.77382%0.82SS**  trans-65.3164.9162.349.10000110.9
291N31.9Very low33.5Very low161 Ų161140.3 Ų140.386%0.86182%0.821SS**  trans149.7119.7146.5-70.5-12.5000106.4
292G30.3Very low33.4Very low78 Ų78137 Ų13780%0.80482%0.815SS**  cis124.7119.825.100000107
293S33Very low33.3Very low124 Ų124137.4 Ų137.487%0.86782%0.817SS**  trans-150.1103.7154.961.20000108.3
294E33.3Very low33.6Very low187 Ų187140.8 Ų140.887%0.87482%0.82SS**  trans-63.8144.9175-59.8162141.200110.7
295I35.7Very low34.1Very low180 Ų180143 Ų14392%0.92382%0.822SS**  trans-149.3138.9142.1-96.1149.4000107.5
296S33.3Very low34.2Very low101 Ų101145.5 Ų145.571%0.70683%0.827SS**  trans-94.5150.5-151.3-167.70000113.5S298S296-S298 PolarHBondContact O-N 3.44Å
297D35.9Very low34.1Very low164 Ų164144.2 Ų144.288%0.87782%0.821SS**  trans-56.6112.7160-98.1-33.4000110
298S35.6Very low34.4Very low93 Ų93151.5 Ų151.565%0.6583%0.827SS**  trans178.497154.6240000108.4S296S296-S298 PolarHBondContact O-N 3.44Å
299D30.6Very low34.2Very low170 Ų170151.9 Ų151.991%0.90982%0.817SS**  trans-178.486.5137.1-86.2-18.4000108.4
300Y34.8Very low34.5Very low234 Ų234151.3 Ų151.392%0.91881%0.812SS**  trans-79.5114.8168.2-132.6-90.2000107.3
301Q31.9Very low34.2Very low187 Ų187154.9 Ų154.987%0.87482%0.819SS**  trans-148.6121.4148.9-158.7146.3-51.900110.7
302A37.3Very low34.3Very low73 Ų73158.1 Ų158.160%0.60382%0.821SS**  trans-86140.6-178.600000111
303E30.4Very low34.5Very low187 Ų187162.9 Ų162.987%0.87482%0.823SS**  trans-131.7117.5156.8-74.4-166.7172.400108.9
304Y38.2Very low34.6Very low217 Ų217164.5 Ų164.585%0.85182%0.821SS**  trans-89.8141.2170.6-98.3-93.4000109.4
305P37Very low34.7Very low118 Ų118162.2 Ų162.277%0.76682%0.815SS**  trans-114.1150.5146.52.618.1000112.4
306D35Very low34.8Very low157 Ų157164.4 Ų164.484%0.8481%0.813SS**  trans-71165.7-157.6-67.8-62.6000118.5
307E34.4Very low35.1Very low166 Ų166165.5 Ų165.578%0.77682%0.818SS**  trans-42.3137.8173.1-65.2167.9155.400115.5
308Y34.1Very low35.4Very low229 Ų229168.6 Ų168.690%0.89882%0.818SS**  trans-116.8103.9163.9-151.5-88.9000109.9
309H35.5Very low35.4Very low164 Ų164170.5 Ų170.576%0.75982%0.82SS**  trans-76127.2166.6-84.6-81.1000109.9
310G36.5Very low35.7Very low62 Ų62173.3 Ų173.364%0.63982%0.82SS**  trans-115.9115.9170.400000110.9
311E33Very low35.6Very low200 Ų200170.6 Ų170.694%0.93582%0.816SS**  trans-75.4144.1175.4-70-177.5138.700112.1
312Y35.3Very low36Very low229 Ų229172 Ų17290%0.89881%0.814SS**  trans-91.1140.2171.5-80.8-97.5000110.1
313Q33.9Very low35.9Very low179 Ų179174.6 Ų174.684%0.83683%0.828SS**  trans-120.6114.5173-156.9163.613.500109.7
314D35.8Very low36.3Very low157 Ų157172.1 Ų172.184%0.8482%0.821SS**  trans-90.8122.1174.3-86.6-44.3000109.8
315D34.4Very low36.3Very low139 Ų139170.1 Ų170.174%0.74382%0.819SS**  trans-118.9103.8171.7-90.7-42.9000111
316Y37.2Very low36.4Very low227 Ų227167.6 Ų167.689%0.8982%0.815SS**  trans-140.8130156.3-90.5-79.3000109.3
317P40.9Very low36.5Very low124 Ų124168.1 Ų168.181%0.80582%0.816SS**  trans-108.9121.2154.92.118.6000111.1
318R41.4Very low36.7Very low229 Ų229167 Ų16786%0.86482%0.815SS**  trans-73.4138.3153.3-87.3-163.3-173.7-177.94108.2
319D36.6Very low37.2Very low133 Ų133170.5 Ų170.571%0.71183%0.829SS**  -176.4135.9125.6-91.1-26.9000111
320Y35.4Very low37.2Very low228 Ų228170.8 Ų170.889%0.89483%0.832SS**  158.9132.3121.4-86.5-71.1000111.9
321Q33.9Very low37.3Very low178 Ų178176.5 Ų176.583%0.83284%0.843SS**  trans-104.1140.5-174.2-141.6168.5-1500109.4
322Y40.1Very low37.5Very low216 Ų216175.2 Ų175.285%0.84784%0.837SS**  trans36.2124152.6-103.9-94.2000120.8
323S34.8Very low37.7Very low127 Ų127172.1 Ų172.189%0.88883%0.834SS**  trans-162.1135.4131.3-74.60000112.4
324D39.8Very low37.9Very low135 Ų135171.6 Ų171.672%0.72283%0.834SS**  trans-48.4146.6169.2-179.838.8000115.2
325Q37.1Very low38Very low175 Ų175172.6 Ų172.682%0.81883%0.833SS**  161.5129.3127.5-85.8174.414.400111
326G39.5Very low38.3Very low66 Ų66175 Ų17568%0.6884%0.84SS**  trans-71.4-173.6-176.500000114.9
327I37.8Very low38.4Very low168 Ų168171 Ų17186%0.86284%0.836SS**  trans-172.5128.6143.9-92.9150.3000107.5
328D38.4Very low38.2Very low141 Ų141174.9 Ų174.975%0.75484%0.838SS**  trans-55.3145.9161.9-75.9-51.7000112.2
329Y43.2Very low37.9Very low303 Ų303170 Ų170100%1.18884%0.836SS**  -178.50118.7-93.9-69.6000109.1

Retrieved 329 of 329 residues in 70.5 ms (Link to these results)

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