A0A3Q0KL35_SCHMA Loading...

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 , UniProt , Accession A0A3Q0KL35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 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
1M45.5Very low66.9Low227 Ų227121.6 Ų121.6100%1.11867%0.671SS**  0111.80-75.7173.7168.700106.6T3M1-T3 PolarHBondContact O-N 3Å
2A51Low68Low99 Ų99116 Ų11682%0.81864%0.642SS**  trans-68.9120.1173.600000107.8R4A2-R4 PolarHBondContact O-N 3.31Å
3T53.2Low69.2Low145 Ų145111.6 Ų111.689%0.8963%0.63SS**  trans-58.9106172.8-30.90000107M1M1-T3 PolarHBondContact O-N 3Å
4R61.9Low70.2Confident139 Ų139109.9 Ų109.953%0.52562%0.617SS.*PPolyproline II helixtrans-80.3132.6-169.5-173.6175.1172.1-147.8-10.4110.7A2 D7 E124 R126A2-R4 PolarHBondContact O-N 3.31Å; R4-D7 IonicContact NH2-OD1 2.66Å; R4-E124 IonicContact NH1-OE2 2.81Å; R4-E124 PolarHBondContact NH1-OE2 3.44Å; R4-R126 VanDerWaalsContact NH1-NE 3.11Å
5T64.6Low70.8Confident107 Ų107104.7 Ų104.766%0.65659%0.591SS**PPolyproline II helixtrans-60131.9173.9-43.60000110.5F8T5-F8 HydrophobicContact CG2-CD2 3.95Å; T5-F8 HydrophobicContact CG2-CE2 3.74Å
6Q68.2Low71.5Confident151 Ų151109.9 Ų109.971%0.70660%0.599SS**PPolyproline II helixtrans-56.1144170.6-175.7172.4-9.900110.2F8Q6-F8 HydrophobicContact CB-CE2 4.07Å; Q6-F8 HydrophobicContact CB-CZ 4.12Å; Q6-F8 WeakPolarHBondContact O-CD2 2.93Å; Q6-F8 VanDerWaalsContact O-CE2 3.26Å; Q6-F8 WeakPolarHBondContact O-CE2 3.33Å; Q6-F8 PolarHBondContact O-N 3.33Å
7D68.8Low72.4Confident56 Ų56111.6 Ų111.630%0.29960%0.599SS.*PPolyproline II helixtrans-59.1126.2176.5-69.6-5.6000109.5R4 D11 V12 S15R4-D7 IonicContact NH2-OD1 2.66Å; D7-D11 HydrophobicContact CB-CB 3.86Å; D7-V12 HydrophobicContact CB-CG2 3.95Å; D7-V12 VanDerWaalsContact O-CG2 3.24Å; D7-V12 WeakPolarHBondContact O-CG2 3.26Å; D7-S15 PolarHBondContact OD2-OG 3.07Å
8F74.2Confident73Confident135 Ų135108 Ų10859%0.59258%0.579SS**  trans-122.4145.7177.6-69.8-73.4000111.1T5 Q6 I10 D11T5-F8 HydrophobicContact CG2-CD2 3.95Å; T5-F8 HydrophobicContact CG2-CE2 3.74Å; Q6-F8 HydrophobicContact CB-CE2 4.07Å; Q6-F8 HydrophobicContact CB-CZ 4.12Å; Q6-F8 WeakPolarHBondContact O-CD2 2.93Å; Q6-F8 VanDerWaalsContact O-CE2 3.26Å; Q6-F8 WeakPolarHBondContact O-CE2 3.33Å; Q6-F8 PolarHBondContact O-N 3.33Å; F8-I10 PolarHBondContact O-N 3.23Å; F8-I10 VanDerWaalsContact O-N 3.09Å; F8-D11 PolarHBondContact O-N 2.95Å
9G85.4Confident73.4Confident63 Ų63105.1 Ų105.165%0.64956%0.564SS**THydrogen-bonded Turntrans57.5-112.4171.500000114.1D11 V12 A13G9-D11 VanDerWaalsContact C-N 3.3Å; G9-D11 PolarHBondContact O-N 3.16Å; G9-V12 PolarHBondContact O-N 2.92Å; G9-A13 PolarHBondContact O-N 3.24Å
10I84Confident74.2Confident130 Ų130104.6 Ų104.667%0.66757%0.569SS**Hα-helixtrans-62.5-36.5-176.1-65.3173.5000111.5F8 V12 A13 I14F8-I10 PolarHBondContact O-N 3.23Å; F8-I10 VanDerWaalsContact O-N 3.09Å; I10-V12 VanDerWaalsContact C-N 3.29Å; I10-V12 PolarHBondContact O-N 3.28Å; I10-A13 WeakPolarHBondContact O-CB 3.4Å; I10-A13 PolarHBondContact O-N 2.81Å; I10-A13 VanDerWaalsContact O-N 3.08Å; I10-I14 HydrophobicContact CG2-CD1 3.74Å; I10-I14 HydrophobicContact CG2-CG1 4.17Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.48Å
11D79.1Confident75.1Confident86 Ų86107.8 Ų107.846%0.4657%0.572SS.*Hα-helixtrans-61.9-39.3-179.3-67.6-33000111.4D7 F8 G9 A13 I14 S15D7-D11 HydrophobicContact CB-CB 3.86Å; F8-D11 PolarHBondContact O-N 2.95Å; G9-D11 VanDerWaalsContact C-N 3.3Å; G9-D11 PolarHBondContact O-N 3.16Å; D11-A13 VanDerWaalsContact C-N 3.33Å; D11-A13 PolarHBondContact O-N 2.92Å; D11-I14 PolarHBondContact O-N 2.98Å; D11-S15 WeakPolarHBondContact O-CB 3.43Å; D11-S15 PolarHBondContact O-N 3.04Å; D11-S15 PolarHBondContact O-OG 3.23Å
12V80.2Confident77.4Confident54 Ų5498.5 Ų98.533%0.32753%0.525SS..Hα-helixtrans-63.2-40.5175.5-179.90000111.2D7 G9 I10 R16D7-V12 HydrophobicContact CB-CG2 3.95Å; D7-V12 VanDerWaalsContact O-CG2 3.24Å; D7-V12 WeakPolarHBondContact O-CG2 3.26Å; G9-V12 PolarHBondContact O-N 2.92Å; I10-V12 VanDerWaalsContact C-N 3.29Å; I10-V12 PolarHBondContact O-N 3.28Å; V12-R16 WeakPolarHBondContact O-CB 3.46Å; V12-R16 WeakPolarHBondContact O-CG 3.24Å; V12-R16 PolarHBondContact O-N 3.19Å
13A83.9Confident79.5Confident59 Ų5997.3 Ų97.349%0.48851%0.505SS..Hα-helixtrans-67.4-41.1178.400000111.8G9 I10 D11 R16 K17G9-A13 PolarHBondContact O-N 3.24Å; I10-A13 WeakPolarHBondContact O-CB 3.4Å; I10-A13 PolarHBondContact O-N 2.81Å; I10-A13 VanDerWaalsContact O-N 3.08Å; D11-A13 VanDerWaalsContact C-N 3.33Å; D11-A13 PolarHBondContact O-N 2.92Å; A13-R16 PolarHBondContact O-N 2.82Å; A13-K17 WeakPolarHBondContact O-CB 3.46Å; A13-K17 PolarHBondContact O-N 2.94Å
14I82.7Confident81.5Confident87 Ų8794.1 Ų94.145%0.44649%0.487SS..Hα-helixtrans-62.9-51.5174.5-67.3171.3000110.1I10 D11 R16 K17 L18I10-I14 HydrophobicContact CG2-CD1 3.74Å; I10-I14 HydrophobicContact CG2-CG1 4.17Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.48Å; D11-I14 PolarHBondContact O-N 2.98Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 2.93Å; I14-K17 PolarHBondContact O-N 3.15Å; I14-K17 VanDerWaalsContact O-N 3.09Å; I14-L18 HydrophobicContact CG2-CD1 4.03Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 WeakPolarHBondContact O-CG 3.12Å; I14-L18 PolarHBondContact O-N 3.37Å
15S78.9Confident83.1Confident33 Ų3392.1 Ų92.123%0.23149%0.486CS..Hα-helixtrans-56.2-44.6177.7-71.10000111.2D7 D11 K17 L18 N19D7-S15 PolarHBondContact OD2-OG 3.07Å; D11-S15 WeakPolarHBondContact O-CB 3.43Å; D11-S15 PolarHBondContact O-N 3.04Å; D11-S15 PolarHBondContact O-OG 3.23Å; S15-K17 PolarHBondContact O-N 3.47Å; S15-L18 PolarHBondContact O-N 3.35Å; S15-N19 VanDerWaalsContact O-CB 3.23Å; S15-N19 WeakPolarHBondContact O-CB 3.21Å; S15-N19 PolarHBondContact O-N 3.1Å; S15-N19 PolarHBondContact O-ND2 3.12Å; S15-N19 VanDerWaalsContact O-ND2 3.09Å; S15-N19 PolarHBondContact O-OD1 3.44Å
16R82.2Confident84.7Confident188 Ų18887.5 Ų87.571%0.70946%0.46SS*.Hα-helixtrans-59.7-45174.2-82.2-176.7-179178.11.4112.9V12 A13 I14 N19 S20V12-R16 WeakPolarHBondContact O-CB 3.46Å; V12-R16 WeakPolarHBondContact O-CG 3.24Å; V12-R16 PolarHBondContact O-N 3.19Å; A13-R16 PolarHBondContact O-N 2.82Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 2.93Å; R16-N19 PolarHBondContact O-N 2.93Å; R16-S20 PolarHBondContact O-N 3.28Å
17K86.8Confident86.1Confident139 Ų13980.8 Ų80.860%0.60443%0.428SS*.Hα-helixtrans-67.9-35.1-179.3-174.1177.1-178.1178.30112.9A13 I14 S15 S20A13-K17 WeakPolarHBondContact O-CB 3.46Å; A13-K17 PolarHBondContact O-N 2.94Å; I14-K17 PolarHBondContact O-N 3.15Å; I14-K17 VanDerWaalsContact O-N 3.09Å; S15-K17 PolarHBondContact O-N 3.47Å; K17-S20 PolarHBondContact O-OG 3.22Å
18L84Confident87.4Confident46 Ų4684.4 Ų84.424%0.24144%0.438CS..Hα-helixtrans-69.1-44.2172.7-68.8176.4000110.5I14 S15 S20 R21 N127I14-L18 HydrophobicContact CG2-CD1 4.03Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 WeakPolarHBondContact O-CG 3.12Å; I14-L18 PolarHBondContact O-N 3.37Å; S15-L18 PolarHBondContact O-N 3.35Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.45Å; L18-R21 WeakPolarHBondContact O-CB 3.48Å; L18-R21 PolarHBondContact O-N 3.1Å; L18-N127 HydrophobicContact CD1-CB 4.45Å
19N79.9Confident88.6Confident53 Ų5382.2 Ų82.228%0.28343%0.429SS..Hα-helixtrans-62.5-32.3179.6-68.1-21.6000113S15 R16 R21 Y22 R46S15-N19 VanDerWaalsContact O-CB 3.23Å; S15-N19 WeakPolarHBondContact O-CB 3.21Å; S15-N19 PolarHBondContact O-N 3.1Å; S15-N19 PolarHBondContact O-ND2 3.12Å; S15-N19 VanDerWaalsContact O-ND2 3.09Å; S15-N19 PolarHBondContact O-OD1 3.44Å; R16-N19 PolarHBondContact O-N 2.93Å; N19-R21 PolarHBondContact O-N 2.9Å; N19-Y22 VanDerWaalsContact O-CB 3.3Å; N19-Y22 WeakPolarHBondContact O-CB 3.42Å; N19-Y22 PolarHBondContact O-N 3.09Å; N19-Y22 VanDerWaalsContact O-N 3.15Å; N19-R46 PolarHBondContact ND2-NH1 2.79Å; N19-R46 PolarHBondContact OD1-NH1 2.86Å; N19-R46 PolarHBondContact OD1-NH2 3.4Å
20S88.8Confident89.2Confident95 Ų9579.2 Ų79.266%0.66440%0.398SS*.THydrogen-bonded Turntrans-69.5-10.6176.471.30000113.9R16 K17 L18 Y22R16-S20 PolarHBondContact O-N 3.28Å; K17-S20 PolarHBondContact O-OG 3.22Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.45Å; S20-Y22 VanDerWaalsContact C-N 3.34Å
21R93Very high89.8Confident171 Ų17173.3 Ų73.365%0.64537%0.368SS*.THydrogen-bonded Turntrans-89.5-2.2173.8-61.8178.8174.7-174.2-4.5112.9L18 N19 D23 A129L18-R21 WeakPolarHBondContact O-CB 3.48Å; L18-R21 PolarHBondContact O-N 3.1Å; N19-R21 PolarHBondContact O-N 2.9Å; R21-D23 PolarHBondContact O-N 2.74Å; R21-A129 HydrophobicContact CB-CB 4Å
22Y94.4Very high90.7Very high32 Ų3270.2 Ų70.213%0.12536%0.357CS..  trans-72.4113.4176.9-166.6-91.3000109.6N19 S20 E27 R46 M128 A129 L132N19-Y22 VanDerWaalsContact O-CB 3.3Å; N19-Y22 WeakPolarHBondContact O-CB 3.42Å; N19-Y22 PolarHBondContact O-N 3.09Å; N19-Y22 VanDerWaalsContact O-N 3.15Å; S20-Y22 VanDerWaalsContact C-N 3.34Å; Y22-E27 HydrophobicContact CE1-CB 4.33Å; Y22-E27 HydrophobicContact CE1-CG 4.43Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.44Å; Y22-E27 WeakPolarHBondContact OH-CG 3.47Å; Y22-E27 PolarHBondContact OH-OE2 2.94Å; Y22-R46 HydrophobicContact CD1-CB 4.39Å; Y22-R46 HydrophobicContact CD2-CG 4.43Å; Y22-R46 HydrophobicContact CE1-CB 3.87Å; Y22-R46 HydrophobicContact CE1-CG 4.44Å; Y22-R46 HydrophobicContact CE2-CB 4.38Å; Y22-R46 HydrophobicContact CE2-CG 4.13Å; Y22-M128 HydrophobicContact CD2-CB 3.78Å; Y22-M128 HydrophobicContact CE2-CB 3.59Å; Y22-A129 HydrophobicContact CD2-CB 4.42Å; Y22-L132 HydrophobicContact CD2-CD1 3.94Å; Y22-L132 HydrophobicContact CE1-CD1 4.21Å; Y22-L132 HydrophobicContact CE2-CD1 3.39Å; Y22-L132 HydrophobicContact CE2-CG 3.88Å
23D95.3Very high91.5Very high74 Ų7467.9 Ų67.940%0.39634%0.342SS..  trans-101.7115.8-175.2177.78000111R21 D25 A26 E27R21-D23 PolarHBondContact O-N 2.74Å; D23-D25 VanDerWaalsContact C-N 3.28Å; D23-D25 PolarHBondContact O-N 3.41Å; D23-D25 PolarHBondContact OD1-N 3.43Å; D23-A26 HydrophobicContact CB-CB 3.86Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 3.46Å; D23-E27 PolarHBondContact O-N 3.33Å
24P95.5Very high92.2Very high78 Ų7865 Ų6551%0.50632%0.319SS..Hα-helixtrans-64.1-24.7177.2-21.733.9000115R28P24-R28 PolarHBondContact O-N 3.15Å; P24-R28 PolarHBondContact O-NE 3.22Å
25D96.3Very high92.9Very high97 Ų9765 Ų6552%0.51932%0.316SS..Hα-helixtrans-73.7-45.7175.5-76.2-63.1000110.5D23 E27 R28 Q29D23-D25 VanDerWaalsContact C-N 3.28Å; D23-D25 PolarHBondContact O-N 3.41Å; D23-D25 PolarHBondContact OD1-N 3.43Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 2.94Å; D25-R28 PolarHBondContact O-N 2.88Å; D25-R28 IonicContact OD1-CZ 3.85Å; D25-R28 IonicContact OD1-NH1 2.59Å; D25-R28 IonicContact OD1-NH2 2.82Å; D25-R28 PolarHBondContact OD1-NH2 3.14Å; D25-R28 IonicContact OD2-NH2 2.92Å; D25-Q29 PolarHBondContact O-N 3.08Å
26A96.4Very high93.8Very high11 Ų1169.2 Ų69.29%0.09133%0.333CS..Hα-helixtrans-57-43.6170.500000111.9D23 R28 Q29 V30 L132 L136D23-A26 HydrophobicContact CB-CB 3.86Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 3.46Å; A26-R28 PolarHBondContact O-N 2.89Å; A26-Q29 PolarHBondContact O-N 3.35Å; A26-V30 VanDerWaalsContact O-CG2 3.28Å; A26-V30 WeakPolarHBondContact O-CG2 3.27Å; A26-V30 PolarHBondContact O-N 3.46Å; A26-L132 HydrophobicContact CB-CD1 4.42Å; A26-L136 HydrophobicContact CB-CD1 3.91Å
27E97.7Very high94.5Very high10 Ų1060.8 Ų60.85%0.04730%0.301CS..Hα-helixtrans-54.4-53.5175.7-171.3-162.3102.800111Y22 D23 D25 Q29 V30 M31 L44 G45 R46 V49 L132Y22-E27 HydrophobicContact CE1-CB 4.33Å; Y22-E27 HydrophobicContact CE1-CG 4.43Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.44Å; Y22-E27 WeakPolarHBondContact OH-CG 3.47Å; Y22-E27 PolarHBondContact OH-OE2 2.94Å; D23-E27 PolarHBondContact O-N 3.33Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 2.94Å; E27-Q29 VanDerWaalsContact C-N 3.33Å; E27-Q29 PolarHBondContact O-N 2.84Å; E27-V30 PolarHBondContact O-N 3.33Å; E27-M31 HydrophobicContact CG-CG 4.17Å; E27-M31 WeakPolarHBondContact O-CB 3.3Å; E27-M31 VanDerWaalsContact O-CG 3.26Å; E27-M31 WeakPolarHBondContact O-CG 3.18Å; E27-M31 PolarHBondContact O-N 3.16Å; E27-L44 VanDerWaalsContact OE1-CA 3.23Å; E27-L44 WeakPolarHBondContact OE1-CA 3.43Å; E27-L44 VanDerWaalsContact OE1-CB 3.28Å; E27-L44 WeakPolarHBondContact OE1-CB 3.33Å; E27-L44 WeakPolarHBondContact OE1-CD2 3.43Å; E27-G45 PolarHBondContact OE1-N 3.36Å; E27-G45 WeakPolarHBondContact OE2-CA 3.49Å; E27-G45 PolarHBondContact OE2-N 2.9Å; E27-R46 PolarHBondContact OE2-N 3.07Å; E27-V49 HydrophobicContact CG-CG2 3.9Å; E27-L132 HydrophobicContact CB-CD1 3.97Å; E27-L132 HydrophobicContact CB-CD2 4.49Å
28R97.7Very high95Very high132 Ų13255.6 Ų55.650%0.49828%0.281SS..Hα-helixtrans-58.4-44179.5-81.1-178-79.7149.1-9.8112.4P24 D25 A26 G32 L44P24-R28 PolarHBondContact O-N 3.15Å; P24-R28 PolarHBondContact O-NE 3.22Å; D25-R28 PolarHBondContact O-N 2.88Å; D25-R28 IonicContact OD1-CZ 3.85Å; D25-R28 IonicContact OD1-NH1 2.59Å; D25-R28 IonicContact OD1-NH2 2.82Å; D25-R28 PolarHBondContact OD1-NH2 3.14Å; D25-R28 IonicContact OD2-NH2 2.92Å; A26-R28 PolarHBondContact O-N 2.89Å; R28-G32 PolarHBondContact O-N 2.86Å; R28-L44 HydrophobicContact CG-CD1 3.66Å; R28-L44 HydrophobicContact CG-CD2 3.87Å; R28-L44 HydrophobicContact CG-CG 4.43Å
29Q97.7Very high95.5Very high89 Ų8956.3 Ų56.342%0.41630%0.3SS..Hα-helixtrans-61.7-48.5178.4-172.1-174.219.800111.5D25 A26 E27 W33D25-Q29 PolarHBondContact O-N 3.08Å; A26-Q29 PolarHBondContact O-N 3.35Å; E27-Q29 VanDerWaalsContact C-N 3.33Å; E27-Q29 PolarHBondContact O-N 2.84Å; Q29-W33 WeakPolarHBondContact O-CB 3.48Å; Q29-W33 PolarHBondContact O-N 3.41Å
30V98.2Very high96.2Very high0 Ų057.5 Ų57.50%030%0.304CS..Hα-helixtrans-68.1-44.8-177.9178.70000110.8A26 E27 G32 W33 I34 L132 L135 L136A26-V30 VanDerWaalsContact O-CG2 3.28Å; A26-V30 WeakPolarHBondContact O-CG2 3.27Å; A26-V30 PolarHBondContact O-N 3.46Å; E27-V30 PolarHBondContact O-N 3.33Å; V30-G32 PolarHBondContact O-N 3.34Å; V30-W33 WeakPolarHBondContact O-CB 3.25Å; V30-W33 PolarHBondContact O-N 3.23Å; V30-I34 HydrophobicContact CG1-CD1 4.02Å; V30-I34 HydrophobicContact CG1-CG1 4.39Å; V30-I34 WeakPolarHBondContact O-CG1 3.44Å; V30-I34 PolarHBondContact O-N 2.96Å; V30-L132 HydrophobicContact CB-CD2 4.28Å; V30-L132 HydrophobicContact CG1-CD2 4.49Å; V30-L132 HydrophobicContact CG2-CD2 4.42Å; V30-L135 HydrophobicContact CG1-CB 3.45Å; V30-L135 VanDerWaalsContact CG1-CB 3.45Å; V30-L135 HydrophobicContact CG1-CD1 3.58Å; V30-L135 HydrophobicContact CG1-CG 4.07Å; V30-L135 HydrophobicContact CG2-CB 4.28Å; V30-L136 HydrophobicContact CG2-CD2 3.52Å; V30-L136 HydrophobicContact CG2-CG 3.62Å
31M97.4Very high96.4Very high5 Ų558.3 Ų58.33%0.02530%0.301CS..Hα-helixtrans-64.7-42.7-179.7-65.6-51.499.100111.2E27 W33 I34 Q35 I42 L44 V49 L53 L132E27-M31 HydrophobicContact CG-CG 4.17Å; E27-M31 WeakPolarHBondContact O-CB 3.3Å; E27-M31 VanDerWaalsContact O-CG 3.26Å; E27-M31 WeakPolarHBondContact O-CG 3.18Å; E27-M31 PolarHBondContact O-N 3.16Å; M31-W33 VanDerWaalsContact C-N 3.28Å; M31-W33 PolarHBondContact O-N 3.39Å; M31-I34 HydrophobicContact CE-CD1 3.92Å; M31-I34 PolarHBondContact O-N 2.77Å; M31-Q35 WeakPolarHBondContact O-CB 3.43Å; M31-Q35 PolarHBondContact O-N 3.38Å; M31-I42 HydrophobicContact CG-CB 4.45Å; M31-I42 HydrophobicContact CG-CG2 4.41Å; M31-I42 HydrophobicContact SD-CB 3.76Å; M31-I42 HydrophobicContact SD-CD1 3.62Å; M31-I42 HydrophobicContact SD-CG1 4.3Å; M31-I42 HydrophobicContact SD-CG2 3.53Å; M31-I42 VanDerWaalsContact SD-CG2 3.53Å; M31-L44 HydrophobicContact CB-CD2 4.15Å; M31-L44 HydrophobicContact CG-CD2 4.17Å; M31-V49 HydrophobicContact CE-CG1 3.85Å; M31-V49 HydrophobicContact CG-CG2 3.99Å; M31-V49 HydrophobicContact SD-CB 4.34Å; M31-V49 HydrophobicContact SD-CG1 3.77Å; M31-V49 HydrophobicContact SD-CG2 3.77Å; M31-L53 HydrophobicContact CE-CD1 4.26Å; M31-L132 HydrophobicContact CE-CD2 4.25Å
32G97.4Very high96.5Very high22 Ų2250.5 Ų50.523%0.22727%0.272CS..Hα-helixtrans-62.1-35.217400000112.8R28 V30 Q36R28-G32 PolarHBondContact O-N 2.86Å; V30-G32 PolarHBondContact O-N 3.34Å; G32-Q36 VanDerWaalsContact O-CG 3.3Å; G32-Q36 WeakPolarHBondContact O-CG 3.5Å; G32-Q36 PolarHBondContact O-N 2.9Å; G32-Q36 VanDerWaalsContact O-N 3.13Å; G32-Q36 PolarHBondContact O-NE2 3.13Å
33W98.2Very high96.5Very high4 Ų452.1 Ų52.12%0.01529%0.286CS..Hα-helixtrans-68.2-46.8174.4-176.766.6000112.3Q29 V30 M31 Q35 Q36 L37 L62 V66 L138 P150 C152Q29-W33 WeakPolarHBondContact O-CB 3.48Å; Q29-W33 PolarHBondContact O-N 3.41Å; V30-W33 WeakPolarHBondContact O-CB 3.25Å; V30-W33 PolarHBondContact O-N 3.23Å; M31-W33 VanDerWaalsContact C-N 3.28Å; M31-W33 PolarHBondContact O-N 3.39Å; W33-Q35 VanDerWaalsContact C-N 3.3Å; W33-Q35 PolarHBondContact O-N 2.77Å; W33-Q36 PolarHBondContact O-N 3.29Å; W33-L37 HydrophobicContact CD2-CD1 3.98Å; W33-L37 VanDerWaalsContact CE2-CD1 3.41Å; W33-L37 HydrophobicContact CH2-CD1 4.09Å; W33-L37 HydrophobicContact CZ2-CD1 3.47Å; W33-L37 VanDerWaalsContact CZ2-CD1 3.47Å; W33-L37 WeakPolarHBondContact O-CG 3.24Å; W33-L37 PolarHBondContact O-N 3.5Å; W33-L37 VanDerWaalsContact O-N 3.12Å; W33-L62 HydrophobicContact CE3-CD1 4.16Å; W33-L62 HydrophobicContact CH2-CD1 4.19Å; W33-L62 HydrophobicContact CZ3-CD1 3.87Å; W33-L62 HydrophobicContact CZ3-CD2 4.04Å; W33-L62 HydrophobicContact CZ3-CG 4.33Å; W33-V66 HydrophobicContact CH2-CG2 4Å; W33-V66 HydrophobicContact CZ2-CG2 4.2Å; W33-L138 HydrophobicContact CH2-CD2 4.18Å; W33-L138 HydrophobicContact CH2-CG 4.14Å; W33-L138 HydrophobicContact CZ3-CD2 4.39Å; W33-P150 PolarHBondContact NE1-O 2.72Å; W33-C152 HydrophobicContact CB-CB 3.84Å; W33-C152 HydrophobicContact CD2-CB 3.5Å; W33-C152 VanDerWaalsContact CD2-CB 3.5Å; W33-C152 HydrophobicContact CE3-CB 4.09Å; W33-C152 HydrophobicContact CG-CB 3.37Å
34I98.3Very high96.5Very high0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-59.4-43.7176-66.6176.4000110.5V30 M31 Q36 L37 T38 I42 I58 L62 L135V30-I34 HydrophobicContact CG1-CD1 4.02Å; V30-I34 HydrophobicContact CG1-CG1 4.39Å; V30-I34 WeakPolarHBondContact O-CG1 3.44Å; V30-I34 PolarHBondContact O-N 2.96Å; M31-I34 HydrophobicContact CE-CD1 3.92Å; M31-I34 PolarHBondContact O-N 2.77Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.41Å; I34-L37 PolarHBondContact O-N 3.4Å; I34-T38 HydrophobicContact CG2-CG2 4.2Å; I34-T38 WeakPolarHBondContact O-CB 3.35Å; I34-T38 PolarHBondContact O-N 3.47Å; I34-T38 PolarHBondContact O-OG1 2.93Å; I34-I42 HydrophobicContact CB-CD1 4.28Å; I34-I42 HydrophobicContact CD1-CD1 4.25Å; I34-I42 HydrophobicContact CG2-CD1 3.77Å; I34-I58 HydrophobicContact CG2-CG2 3.65Å; I34-L62 HydrophobicContact CD1-CD2 4.14Å; I34-L62 HydrophobicContact CG1-CD1 4.07Å; I34-L62 HydrophobicContact CG1-CD2 3.88Å; I34-L135 HydrophobicContact CD1-CD1 4.21Å; I34-L135 HydrophobicContact CD1-CD2 4.47Å
35Q97.5Very high96.5Very high85 Ų8550.5 Ų50.540%0.39728%0.28SS..Hα-helixtrans-60-42.2177.9-174.7179.719.200112.1M31 W33 L37 G39 Q40M31-Q35 WeakPolarHBondContact O-CB 3.43Å; M31-Q35 PolarHBondContact O-N 3.38Å; W33-Q35 VanDerWaalsContact C-N 3.3Å; W33-Q35 PolarHBondContact O-N 2.77Å; Q35-L37 VanDerWaalsContact C-N 3.31Å; Q35-L37 PolarHBondContact O-N 2.92Å; Q35-G39 WeakPolarHBondContact O-CA 3.31Å; Q35-G39 PolarHBondContact O-N 3.2Å; Q35-Q40 VanDerWaalsContact CA-O 3.31Å; Q35-Q40 WeakPolarHBondContact CA-O 3.49Å; Q35-Q40 WeakPolarHBondContact CB-O 3.2Å
36Q97.5Very high96.3Very high123 Ų12349.1 Ų49.158%0.57527%0.267SS*.Hα-helixtrans-69-27.8178-72.8174.256.400113.6G32 W33 I34 P150G32-Q36 VanDerWaalsContact O-CG 3.3Å; G32-Q36 WeakPolarHBondContact O-CG 3.5Å; G32-Q36 PolarHBondContact O-N 2.9Å; G32-Q36 VanDerWaalsContact O-N 3.13Å; G32-Q36 PolarHBondContact O-NE2 3.13Å; W33-Q36 PolarHBondContact O-N 3.29Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.41Å; Q36-P150 HydrophobicContact CB-CG 3.93Å; Q36-P150 VanDerWaalsContact OE1-CB 3.22Å
37L97.4Very high96.2Very high10 Ų1055.5 Ų55.55%0.05230%0.296CS..Hα-helixtrans-88.5-39.9-178.9-66.4-171000113.4W33 I34 Q35 L62 A65 V66 R69 F147 P150W33-L37 HydrophobicContact CD2-CD1 3.98Å; W33-L37 VanDerWaalsContact CE2-CD1 3.41Å; W33-L37 HydrophobicContact CH2-CD1 4.09Å; W33-L37 HydrophobicContact CZ2-CD1 3.47Å; W33-L37 VanDerWaalsContact CZ2-CD1 3.47Å; W33-L37 WeakPolarHBondContact O-CG 3.24Å; W33-L37 PolarHBondContact O-N 3.5Å; W33-L37 VanDerWaalsContact O-N 3.12Å; I34-L37 PolarHBondContact O-N 3.4Å; Q35-L37 VanDerWaalsContact C-N 3.31Å; Q35-L37 PolarHBondContact O-N 2.92Å; L37-L62 HydrophobicContact CB-CD1 4.11Å; L37-L62 HydrophobicContact CD1-CD1 3.66Å; L37-L62 HydrophobicContact CG-CD1 4.44Å; L37-A65 HydrophobicContact CB-CB 4.16Å; L37-V66 HydrophobicContact CD1-CG2 4.2Å; L37-R69 VanDerWaalsContact CD2-NH1 3.3Å; L37-R69 PolarHBondContact O-NH2 2.95Å; L37-F147 HydrophobicContact CD1-CE1 4.48Å; L37-F147 HydrophobicContact CD1-CZ 3.89Å; L37-F147 HydrophobicContact CD2-CE1 4.29Å; L37-F147 HydrophobicContact CD2-CZ 3.64Å; L37-F147 HydrophobicContact CG-CZ 4.45Å; L37-P150 HydrophobicContact CD2-CG 3.67Å; L37-P150 HydrophobicContact CG-CG 4.21Å
38T96.6Very high96.2Very high30 Ų3057.7 Ų57.718%0.18431%0.308CS..Hα-helixtrans-104.9-18.1-172.964.80000113.2I34 Q40 E61 L62I34-T38 HydrophobicContact CG2-CG2 4.2Å; I34-T38 WeakPolarHBondContact O-CB 3.35Å; I34-T38 PolarHBondContact O-N 3.47Å; I34-T38 PolarHBondContact O-OG1 2.93Å; T38-Q40 PolarHBondContact O-N 3.3Å; T38-Q40 WeakPolarHBondContact OG1-CB 3.23Å; T38-Q40 PolarHBondContact OG1-N 3.43Å; T38-Q40 VanDerWaalsContact OG1-N 3.17Å; T38-E61 HydrophobicContact CG2-CB 4.01Å; T38-L62 HydrophobicContact CG2-CB 4.05Å; T38-L62 HydrophobicContact CG2-CD1 4.46Å
39G95.3Very high96.2Very high62 Ų6251.4 Ų51.464%0.63928%0.284SS*.  trans75.5-5.1-169.300000114.1Q35Q35-G39 WeakPolarHBondContact O-CA 3.31Å; Q35-G39 PolarHBondContact O-N 3.2Å
40Q94.5Very high96.2Very high77 Ų7748.4 Ų48.436%0.3627%0.27SS..  trans-77.5124.7-178.7-59-69-7.600110.5Q35 T38 I58 E61Q35-Q40 VanDerWaalsContact CA-O 3.31Å; Q35-Q40 WeakPolarHBondContact CA-O 3.49Å; Q35-Q40 WeakPolarHBondContact CB-O 3.2Å; T38-Q40 PolarHBondContact O-N 3.3Å; T38-Q40 WeakPolarHBondContact OG1-CB 3.23Å; T38-Q40 PolarHBondContact OG1-N 3.43Å; T38-Q40 VanDerWaalsContact OG1-N 3.17Å; Q40-I58 HydrophobicContact CB-CD1 4.19Å; Q40-I58 HydrophobicContact CB-CG1 4.45Å; Q40-I58 HydrophobicContact CB-CG2 4.36Å; Q40-I58 HydrophobicContact CG-CD1 4.36Å; Q40-I58 HydrophobicContact CG-CG1 4.14Å; Q40-I58 HydrophobicContact CG-CG2 4.41Å; Q40-E61 PolarHBondContact NE2-OE2 2.88Å; Q40-E61 VanDerWaalsContact NE2-OE2 3.13Å
41N92.8Very high96.1Very high112 Ų11255.9 Ų55.960%0.59930%0.298SS*.  trans-87.2120.7175.1-173.827.5000110.3
42I93.8Very high96.1Very high7 Ų757.6 Ų57.64%0.03631%0.309CS..  trans-109.7116.4179.9-55.1172.2000108.4M31 I34 L44 V49 T52 L53 I58M31-I42 HydrophobicContact CG-CB 4.45Å; M31-I42 HydrophobicContact CG-CG2 4.41Å; M31-I42 HydrophobicContact SD-CB 3.76Å; M31-I42 HydrophobicContact SD-CD1 3.62Å; M31-I42 HydrophobicContact SD-CG1 4.3Å; M31-I42 HydrophobicContact SD-CG2 3.53Å; M31-I42 VanDerWaalsContact SD-CG2 3.53Å; I34-I42 HydrophobicContact CB-CD1 4.28Å; I34-I42 HydrophobicContact CD1-CD1 4.25Å; I34-I42 HydrophobicContact CG2-CD1 3.77Å; I42-L44 PolarHBondContact O-N 3.07Å; I42-V49 HydrophobicContact CG2-CG2 4.19Å; I42-T52 HydrophobicContact CB-CG2 4.39Å; I42-T52 HydrophobicContact CG1-CG2 3.91Å; I42-T52 HydrophobicContact CG2-CG2 4.03Å; I42-L53 HydrophobicContact CD1-CD2 3.74Å; I42-L53 HydrophobicContact CD1-CG 4.28Å; I42-I58 HydrophobicContact CD1-CG2 4.32Å
43P95.4Very high96.1Very high66 Ų6656.5 Ų56.543%0.42930%0.298SS..  trans-61.7135.9176.4-18.830000110.9N48P43-N48 HydrophobicContact CB-CB 4.02Å; P43-N48 VanDerWaalsContact O-CB 3.27Å; P43-N48 WeakPolarHBondContact O-CB 3.41Å
44L95.2Very high96.1Very high88 Ų8859.6 Ų59.646%0.46131%0.311SS..SBendtrans-64.3159.6177-60.9178.1000111.6E27 R28 M31 I42 N48E27-L44 VanDerWaalsContact OE1-CA 3.23Å; E27-L44 WeakPolarHBondContact OE1-CA 3.43Å; E27-L44 VanDerWaalsContact OE1-CB 3.28Å; E27-L44 WeakPolarHBondContact OE1-CB 3.33Å; E27-L44 WeakPolarHBondContact OE1-CD2 3.43Å; R28-L44 HydrophobicContact CG-CD1 3.66Å; R28-L44 HydrophobicContact CG-CD2 3.87Å; R28-L44 HydrophobicContact CG-CG 4.43Å; M31-L44 HydrophobicContact CB-CD2 4.15Å; M31-L44 HydrophobicContact CG-CD2 4.17Å; I42-L44 PolarHBondContact O-N 3.07Å; L44-N48 PolarHBondContact O-ND2 3.48Å
45G94.4Very high96Very high30 Ų3061.7 Ų61.731%0.30932%0.322SS..SBendtrans102.2129.3-174.800000111.5E27 E47 N48 V49E27-G45 PolarHBondContact OE1-N 3.36Å; E27-G45 WeakPolarHBondContact OE2-CA 3.49Å; E27-G45 PolarHBondContact OE2-N 2.9Å; G45-E47 VanDerWaalsContact C-N 3.27Å; G45-E47 PolarHBondContact O-N 3.03Å; G45-N48 WeakPolarHBondContact O-CA 3.46Å; G45-N48 WeakPolarHBondContact O-CB 3.41Å; G45-N48 PolarHBondContact O-N 3.02Å; G45-V49 PolarHBondContact O-N 2.9Å
46R93.4Very high96Very high68 Ų6857.6 Ų57.626%0.25730%0.303SS..Hα-helixtrans-39.3-49.5-178.8-179.7-175.4168.5171.24.6114.9N19 Y22 E27 Q50 A125 M128N19-R46 PolarHBondContact ND2-NH1 2.79Å; N19-R46 PolarHBondContact OD1-NH1 2.86Å; N19-R46 PolarHBondContact OD1-NH2 3.4Å; Y22-R46 HydrophobicContact CD1-CB 4.39Å; Y22-R46 HydrophobicContact CD2-CG 4.43Å; Y22-R46 HydrophobicContact CE1-CB 3.87Å; Y22-R46 HydrophobicContact CE1-CG 4.44Å; Y22-R46 HydrophobicContact CE2-CB 4.38Å; Y22-R46 HydrophobicContact CE2-CG 4.13Å; E27-R46 PolarHBondContact OE2-N 3.07Å; R46-Q50 VanDerWaalsContact O-CB 3.29Å; R46-Q50 WeakPolarHBondContact O-CB 3.31Å; R46-Q50 PolarHBondContact O-N 3.3Å; R46-A125 PolarHBondContact NH2-O 3.31Å; R46-M128 HydrophobicContact CG-CB 4.02Å; R46-M128 HydrophobicContact CG-CG 3.97Å
47E94.9Very high96Very high146 Ų14654.6 Ų54.668%0.68229%0.289SS*.Hα-helixtrans-69.4-37-177.7-65.2-176.3-179.800112.6G45 R51G45-E47 VanDerWaalsContact C-N 3.27Å; G45-E47 PolarHBondContact O-N 3.03Å; E47-R51 VanDerWaalsContact O-CB 3.25Å; E47-R51 WeakPolarHBondContact O-CB 3.45Å; E47-R51 PolarHBondContact O-N 3.44Å
48N96.9Very high96Very high56 Ų5654.8 Ų54.830%0.29929%0.29SS..Hα-helixtrans-70.4-43.4177.3-67.5-33.5000111P43 L44 G45 Q50 R51 T52P43-N48 HydrophobicContact CB-CB 4.02Å; P43-N48 VanDerWaalsContact O-CB 3.27Å; P43-N48 WeakPolarHBondContact O-CB 3.41Å; L44-N48 PolarHBondContact O-ND2 3.48Å; G45-N48 WeakPolarHBondContact O-CA 3.46Å; G45-N48 WeakPolarHBondContact O-CB 3.41Å; G45-N48 PolarHBondContact O-N 3.02Å; N48-Q50 VanDerWaalsContact C-N 3.33Å; N48-Q50 PolarHBondContact O-N 3.09Å; N48-R51 PolarHBondContact O-N 2.92Å; N48-R51 PolarHBondContact OD1-NH1 3.42Å; N48-T52 VanDerWaalsContact O-CB 3.31Å; N48-T52 WeakPolarHBondContact O-CB 3.23Å; N48-T52 PolarHBondContact O-N 3.39Å; N48-T52 PolarHBondContact O-OG1 2.91Å
49V97.4Very high96.1Very high0 Ų053.4 Ų53.40%028%0.282CS..Hα-helixtrans-58.5-48.9174173.70000109.9E27 M31 I42 G45 T52 L53 M128E27-V49 HydrophobicContact CG-CG2 3.9Å; M31-V49 HydrophobicContact CE-CG1 3.85Å; M31-V49 HydrophobicContact CG-CG2 3.99Å; M31-V49 HydrophobicContact SD-CB 4.34Å; M31-V49 HydrophobicContact SD-CG1 3.77Å; M31-V49 HydrophobicContact SD-CG2 3.77Å; I42-V49 HydrophobicContact CG2-CG2 4.19Å; G45-V49 PolarHBondContact O-N 2.9Å; V49-T52 PolarHBondContact O-N 3.09Å; V49-L53 HydrophobicContact CG1-CD1 3.89Å; V49-L53 WeakPolarHBondContact O-CB 3.23Å; V49-L53 WeakPolarHBondContact O-CG 3.46Å; V49-L53 PolarHBondContact O-N 3.47Å; V49-M128 HydrophobicContact CG1-CE 4.11Å
50Q97Very high96.3Very high25 Ų2550.5 Ų50.512%0.11725%0.252CS..Hα-helixtrans-59.2-52.3177.8-169.5-85.5-24.500111.3R46 N48 T52 L53 K54 L122 F123 A125 M128R46-Q50 VanDerWaalsContact O-CB 3.29Å; R46-Q50 WeakPolarHBondContact O-CB 3.31Å; R46-Q50 PolarHBondContact O-N 3.3Å; N48-Q50 VanDerWaalsContact C-N 3.33Å; N48-Q50 PolarHBondContact O-N 3.09Å; Q50-T52 VanDerWaalsContact C-N 3.27Å; Q50-T52 PolarHBondContact O-N 3.32Å; Q50-L53 PolarHBondContact O-N 2.98Å; Q50-K54 WeakPolarHBondContact O-CA 3.47Å; Q50-K54 WeakPolarHBondContact O-CB 3.29Å; Q50-K54 PolarHBondContact O-N 3.35Å; Q50-L122 HydrophobicContact CG-CD1 4.36Å; Q50-L122 WeakPolarHBondContact CG-O 3.44Å; Q50-L122 PolarHBondContact NE2-O 3.44Å; Q50-F123 PolarHBondContact NE2-O 3.03Å; Q50-F123 VanDerWaalsContact NE2-O 3.12Å; Q50-A125 HydrophobicContact CG-CB 3.7Å; Q50-M128 HydrophobicContact CB-CE 3.8Å; Q50-M128 HydrophobicContact CB-CG 4.44Å; Q50-M128 HydrophobicContact CB-SD 3.78Å; Q50-M128 HydrophobicContact CG-CE 4.21Å; Q50-M128 HydrophobicContact CG-CG 4.48Å; Q50-M128 HydrophobicContact CG-SD 3.59Å; Q50-M128 VanDerWaalsContact CG-SD 3.59Å
51R96.9Very high96.5Very high157 Ų15750.4 Ų50.459%0.59225%0.251SS*.Hα-helixtrans-56.4-42.5-178.6-174.4-174.6-60.9133.94.3112.1E47 N48E47-R51 VanDerWaalsContact O-CB 3.25Å; E47-R51 WeakPolarHBondContact O-CB 3.45Å; E47-R51 PolarHBondContact O-N 3.44Å; N48-R51 PolarHBondContact O-N 2.92Å; N48-R51 PolarHBondContact OD1-NH1 3.42Å
52T97.4Very high96.7Very high41 Ų4145.1 Ų45.125%0.25222%0.223SC..Hα-helixtrans-74.1-39.5-176.1-520000112.1I42 N48 V49 Q50 I58I42-T52 HydrophobicContact CB-CG2 4.39Å; I42-T52 HydrophobicContact CG1-CG2 3.91Å; I42-T52 HydrophobicContact CG2-CG2 4.03Å; N48-T52 VanDerWaalsContact O-CB 3.31Å; N48-T52 WeakPolarHBondContact O-CB 3.23Å; N48-T52 PolarHBondContact O-N 3.39Å; N48-T52 PolarHBondContact O-OG1 2.91Å; V49-T52 PolarHBondContact O-N 3.09Å; Q50-T52 VanDerWaalsContact C-N 3.27Å; Q50-T52 PolarHBondContact O-N 3.32Å; T52-I58 HydrophobicContact CG2-CD1 3.55Å
53L97.9Very high96.9Very high0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-84.9-13.5178.8-64.7-179.6000113.8M31 I42 V49 Q50 N55 G56 I58 L59 L122 L135M31-L53 HydrophobicContact CE-CD1 4.26Å; I42-L53 HydrophobicContact CD1-CD2 3.74Å; I42-L53 HydrophobicContact CD1-CG 4.28Å; V49-L53 HydrophobicContact CG1-CD1 3.89Å; V49-L53 WeakPolarHBondContact O-CB 3.23Å; V49-L53 WeakPolarHBondContact O-CG 3.46Å; V49-L53 PolarHBondContact O-N 3.47Å; Q50-L53 PolarHBondContact O-N 2.98Å; L53-N55 VanDerWaalsContact C-N 3.26Å; L53-N55 PolarHBondContact O-N 2.86Å; L53-N55 VanDerWaalsContact O-N 3.13Å; L53-G56 PolarHBondContact O-N 2.77Å; L53-I58 HydrophobicContact CD2-CB 3.88Å; L53-I58 HydrophobicContact CD2-CD1 4.43Å; L53-I58 HydrophobicContact CD2-CG2 3.77Å; L53-L59 HydrophobicContact CD1-CD2 4.37Å; L53-L59 HydrophobicContact CD2-CD2 4.07Å; L53-L59 HydrophobicContact CD2-CG 4.36Å; L53-L122 HydrophobicContact CB-CD1 3.95Å; L53-L122 HydrophobicContact CB-CD2 4.24Å; L53-L135 HydrophobicContact CD1-CD1 4.39Å
54K97.5Very high97.1Very high69 Ų6943.1 Ų43.130%0.321%0.209SC..THydrogen-bonded Turntrans-55-33.8-171.5-175.1174.3-176.1161.30114.8Q50 G56 I99 F123Q50-K54 WeakPolarHBondContact O-CA 3.47Å; Q50-K54 WeakPolarHBondContact O-CB 3.29Å; Q50-K54 PolarHBondContact O-N 3.35Å; K54-G56 PolarHBondContact O-N 3.02Å; K54-I99 WeakPolarHBondContact O-CD1 3.47Å; K54-F123 WeakPolarHBondContact CE-O 3.4Å; K54-F123 HydrophobicContact CG-CD2 4.01Å; K54-F123 HydrophobicContact CG-CE2 4.28Å; K54-F123 PolarHBondContact NZ-O 2.94Å
55N96.7Very high97.2Very high43 Ų4339.4 Ų39.423%0.2319%0.19CC..THydrogen-bonded Turntrans-79.6-7.6-178.772.83.6000113.4L53 Q57 Q95 N98L53-N55 VanDerWaalsContact C-N 3.26Å; L53-N55 PolarHBondContact O-N 2.86Å; L53-N55 VanDerWaalsContact O-N 3.13Å; N55-Q57 PolarHBondContact ND2-OE1 2.94Å; N55-Q57 PolarHBondContact O-N 3.44Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.47Å; N55-Q57 PolarHBondContact OD1-N 3.04Å; N55-Q95 HydrophobicContact CB-CG 4.05Å; N55-N98 WeakPolarHBondContact O-CB 3.48Å; N55-N98 PolarHBondContact O-ND2 3.43Å
56G97.9Very high97.4Very high0 Ų038 Ų380%018%0.176CC..SBendtrans71.2-2.1-179.100000115.8L53 K54 L59 V60L53-G56 PolarHBondContact O-N 2.77Å; K54-G56 PolarHBondContact O-N 3.02Å; G56-L59 PolarHBondContact O-N 2.93Å; G56-V60 WeakPolarHBondContact O-CG2 3.43Å; G56-V60 PolarHBondContact O-N 3.23Å; G56-V60 VanDerWaalsContact O-N 3.07Å
57Q97.2Very high97.6Very high59 Ų5934.8 Ų34.828%0.27616%0.164SC..Hα-helixtrans-68.1-47-175.1-67.6-178.7-27.700112N55 L59 V60 E61 A86 N87N55-Q57 PolarHBondContact ND2-OE1 2.94Å; N55-Q57 PolarHBondContact O-N 3.44Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.47Å; N55-Q57 PolarHBondContact OD1-N 3.04Å; Q57-L59 PolarHBondContact O-N 3.35Å; Q57-V60 WeakPolarHBondContact O-CB 3.45Å; Q57-V60 PolarHBondContact O-N 2.76Å; Q57-E61 PolarHBondContact O-N 3.43Å; Q57-A86 HydrophobicContact CB-CB 4.4Å; Q57-A86 HydrophobicContact CG-CB 4.07Å; Q57-N87 PolarHBondContact NE2-O 3.22Å; Q57-N87 VanDerWaalsContact NE2-O 3.1Å
58I98Very high97.6Very high15 Ų1535.2 Ų35.28%0.07717%0.166CC..Hα-helixtrans-61.8-34.3176.8-61.5176.5000111.1I34 Q40 I42 T52 L53 E61 L62I34-I58 HydrophobicContact CG2-CG2 3.65Å; Q40-I58 HydrophobicContact CB-CD1 4.19Å; Q40-I58 HydrophobicContact CB-CG1 4.45Å; Q40-I58 HydrophobicContact CB-CG2 4.36Å; Q40-I58 HydrophobicContact CG-CD1 4.36Å; Q40-I58 HydrophobicContact CG-CG1 4.14Å; Q40-I58 HydrophobicContact CG-CG2 4.41Å; I42-I58 HydrophobicContact CD1-CG2 4.32Å; T52-I58 HydrophobicContact CG2-CD1 3.55Å; L53-I58 HydrophobicContact CD2-CB 3.88Å; L53-I58 HydrophobicContact CD2-CD1 4.43Å; L53-I58 HydrophobicContact CD2-CG2 3.77Å; I58-E61 PolarHBondContact O-N 3.41Å; I58-L62 VanDerWaalsContact O-CB 3.29Å; I58-L62 WeakPolarHBondContact O-CB 3.31Å; I58-L62 PolarHBondContact O-N 2.99Å
59L98.6Very high97.6Very high0 Ų036.6 Ų36.60%017%0.167CC..Hα-helixtrans-66.8-39.6175.5-64.2-179000111.7L53 G56 Q57 L62 I63 F102 F117 L122 L135L53-L59 HydrophobicContact CD1-CD2 4.37Å; L53-L59 HydrophobicContact CD2-CD2 4.07Å; L53-L59 HydrophobicContact CD2-CG 4.36Å; G56-L59 PolarHBondContact O-N 2.93Å; Q57-L59 PolarHBondContact O-N 3.35Å; L59-L62 WeakPolarHBondContact O-CB 3.39Å; L59-L62 PolarHBondContact O-N 3.48Å; L59-I63 PolarHBondContact O-N 3.13Å; L59-F102 HydrophobicContact CB-CB 3.82Å; L59-F102 HydrophobicContact CB-CD1 4.13Å; L59-F102 HydrophobicContact CB-CD2 3.75Å; L59-F102 HydrophobicContact CB-CE2 4.35Å; L59-F102 HydrophobicContact CB-CG 3.61Å; L59-F102 HydrophobicContact CD1-CD1 3.97Å; L59-F102 HydrophobicContact CD1-CE1 4.44Å; L59-F102 HydrophobicContact CD1-CG 4.27Å; L59-F102 HydrophobicContact CD2-CE1 4.38Å; L59-F102 HydrophobicContact CD2-CZ 4.37Å; L59-F102 HydrophobicContact CG-CD1 4.46Å; L59-F102 HydrophobicContact CG-CG 4.41Å; L59-F102 WeakPolarHBondContact O-CD2 3.16Å; L59-F117 HydrophobicContact CD1-CZ 4.17Å; L59-L122 HydrophobicContact CD1-CD2 3.51Å; L59-L135 HydrophobicContact CD2-CD2 4.01Å
60V98.4Very high97.5Very high2 Ų236.7 Ų36.71%0.01217%0.168CC..Hα-helixtrans-66.6-39.3173.6173.10000111.5G56 Q57 I63 N64 I84 A86 N98G56-V60 WeakPolarHBondContact O-CG2 3.43Å; G56-V60 PolarHBondContact O-N 3.23Å; G56-V60 VanDerWaalsContact O-N 3.07Å; Q57-V60 WeakPolarHBondContact O-CB 3.45Å; Q57-V60 PolarHBondContact O-N 2.76Å; V60-I63 WeakPolarHBondContact O-CG2 3.16Å; V60-N64 WeakPolarHBondContact O-CB 3.45Å; V60-N64 PolarHBondContact O-N 3.17Å; V60-N64 PolarHBondContact O-ND2 3.34Å; V60-I84 HydrophobicContact CG1-CB 4.17Å; V60-I84 HydrophobicContact CG1-CG2 3.63Å; V60-A86 HydrophobicContact CB-CB 3.97Å; V60-A86 HydrophobicContact CG1-CB 3.92Å; V60-A86 HydrophobicContact CG2-CB 4.23Å; V60-N98 HydrophobicContact CG2-CB 4.45Å
61E98Very high97.3Very high75 Ų7539.2 Ų39.235%0.3519%0.186SC..Hα-helixtrans-62.2-43.8172.6-72173.5-164.200111.6T38 Q40 Q57 I58 N64 A65T38-E61 HydrophobicContact CG2-CB 4.01Å; Q40-E61 PolarHBondContact NE2-OE2 2.88Å; Q40-E61 VanDerWaalsContact NE2-OE2 3.13Å; Q57-E61 PolarHBondContact O-N 3.43Å; I58-E61 PolarHBondContact O-N 3.41Å; E61-N64 WeakPolarHBondContact O-CB 3.29Å; E61-N64 PolarHBondContact O-N 3.13Å; E61-A65 PolarHBondContact O-N 3.03Å
62L98.4Very high97.1Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-57.8-51.5177.4175.965.8000111.5W33 I34 L37 T38 I58 L59 N64 A65 V66 F102 L135 L138W33-L62 HydrophobicContact CE3-CD1 4.16Å; W33-L62 HydrophobicContact CH2-CD1 4.19Å; W33-L62 HydrophobicContact CZ3-CD1 3.87Å; W33-L62 HydrophobicContact CZ3-CD2 4.04Å; W33-L62 HydrophobicContact CZ3-CG 4.33Å; I34-L62 HydrophobicContact CD1-CD2 4.14Å; I34-L62 HydrophobicContact CG1-CD1 4.07Å; I34-L62 HydrophobicContact CG1-CD2 3.88Å; L37-L62 HydrophobicContact CB-CD1 4.11Å; L37-L62 HydrophobicContact CD1-CD1 3.66Å; L37-L62 HydrophobicContact CG-CD1 4.44Å; T38-L62 HydrophobicContact CG2-CB 4.05Å; T38-L62 HydrophobicContact CG2-CD1 4.46Å; I58-L62 VanDerWaalsContact O-CB 3.29Å; I58-L62 WeakPolarHBondContact O-CB 3.31Å; I58-L62 PolarHBondContact O-N 2.99Å; L59-L62 WeakPolarHBondContact O-CB 3.39Å; L59-L62 PolarHBondContact O-N 3.48Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 3.17Å; L62-A65 PolarHBondContact O-N 3.38Å; L62-V66 WeakPolarHBondContact O-CG2 3.17Å; L62-V66 PolarHBondContact O-N 3.36Å; L62-F102 HydrophobicContact CD2-CE2 4.22Å; L62-L135 HydrophobicContact CD2-CD2 3.65Å; L62-L138 HydrophobicContact CD2-CD2 4.37Å
63I98.3Very high97Very high0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-70.1-30.3-178-163.362.4000112.2L59 V60 V66 Y67 I84 F102 L105 L138L59-I63 PolarHBondContact O-N 3.13Å; V60-I63 WeakPolarHBondContact O-CG2 3.16Å; I63-V66 HydrophobicContact CD1-CB 4.28Å; I63-V66 HydrophobicContact CD1-CG1 4.34Å; I63-V66 PolarHBondContact O-N 2.92Å; I63-Y67 HydrophobicContact CD1-CD1 3.97Å; I63-Y67 HydrophobicContact CD1-CE1 3.61Å; I63-Y67 HydrophobicContact CG1-CD1 3.99Å; I63-Y67 HydrophobicContact CG1-CE1 3.7Å; I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 VanDerWaalsContact O-CD1 3.29Å; I63-Y67 WeakPolarHBondContact O-CD1 3.41Å; I63-Y67 PolarHBondContact O-N 2.87Å; I63-I84 HydrophobicContact CG2-CD1 4.36Å; I63-F102 HydrophobicContact CB-CD2 3.92Å; I63-F102 HydrophobicContact CB-CE2 4.2Å; I63-F102 HydrophobicContact CG2-CD2 4.18Å; I63-L105 HydrophobicContact CG1-CB 3.72Å; I63-L105 HydrophobicContact CG2-CB 4.32Å; I63-L105 HydrophobicContact CG2-CD1 3.77Å; I63-L138 HydrophobicContact CD1-CD1 3.99Å; I63-L138 HydrophobicContact CD1-CD2 4.15Å
64N97.9Very high96.8Very high32 Ų3237.8 Ų37.817%0.17119%0.19CC..Hα-helixtrans-59.8-48.5168.7-84.8-47000111.2V60 E61 L62 V66 Y67 E68 I84V60-N64 WeakPolarHBondContact O-CB 3.45Å; V60-N64 PolarHBondContact O-N 3.17Å; V60-N64 PolarHBondContact O-ND2 3.34Å; E61-N64 WeakPolarHBondContact O-CB 3.29Å; E61-N64 PolarHBondContact O-N 3.13Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 3.17Å; N64-V66 VanDerWaalsContact C-N 3.32Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-Y67 PolarHBondContact O-N 3.32Å; N64-E68 WeakPolarHBondContact O-CB 3.44Å; N64-E68 PolarHBondContact O-N 3.05Å; N64-I84 PolarHBondContact ND2-O 3.13Å; N64-I84 WeakPolarHBondContact OD1-CB 3.32Å; N64-I84 VanDerWaalsContact OD1-CD1 3.3Å; N64-I84 WeakPolarHBondContact OD1-CD1 3.39Å; N64-I84 PolarHBondContact OD1-N 2.95Å
65A97.8Very high96.7Very high9 Ų939.5 Ų39.57%0.07421%0.208CC..Hα-helixtrans-62.5-39.3178.100000111.9L37 E61 L62 R69L37-A65 HydrophobicContact CB-CB 4.16Å; E61-A65 PolarHBondContact O-N 3.03Å; L62-A65 PolarHBondContact O-N 3.38Å; A65-R69 WeakPolarHBondContact O-CG 3.38Å; A65-R69 PolarHBondContact O-N 2.82Å; A65-R69 VanDerWaalsContact O-N 3.14Å
66V97.9Very high96.6Very high0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-59.6-48.1172.6170.20000110.9W33 L37 L62 I63 N64 E68 R69 T70 Y109 C142 F147W33-V66 HydrophobicContact CH2-CG2 4Å; W33-V66 HydrophobicContact CZ2-CG2 4.2Å; L37-V66 HydrophobicContact CD1-CG2 4.2Å; L62-V66 WeakPolarHBondContact O-CG2 3.17Å; L62-V66 PolarHBondContact O-N 3.36Å; I63-V66 HydrophobicContact CD1-CB 4.28Å; I63-V66 HydrophobicContact CD1-CG1 4.34Å; I63-V66 PolarHBondContact O-N 2.92Å; N64-V66 VanDerWaalsContact C-N 3.32Å; N64-V66 PolarHBondContact O-N 3.49Å; V66-E68 PolarHBondContact O-N 3.07Å; V66-R69 PolarHBondContact O-N 2.78Å; V66-T70 WeakPolarHBondContact O-CB 3.38Å; V66-T70 PolarHBondContact O-N 2.84Å; V66-T70 PolarHBondContact O-OG1 3.43Å; V66-Y109 HydrophobicContact CG1-CD1 4.28Å; V66-Y109 HydrophobicContact CG1-CD2 4.12Å; V66-Y109 HydrophobicContact CG1-CE1 3.81Å; V66-Y109 HydrophobicContact CG1-CE2 3.6Å; V66-Y109 HydrophobicContact CG1-CG 4.43Å; V66-Y109 VanDerWaalsContact CG1-CZ 3.43Å; V66-C142 WeakPolarHBondContact CG1-SG 3.12Å; V66-F147 HydrophobicContact CB-CE2 4.43Å; V66-F147 HydrophobicContact CG1-CD2 4.49Å; V66-F147 HydrophobicContact CG2-CE2 4.36Å
67Y97.6Very high96.5Very high1 Ų144.1 Ų44.10%0.00423%0.226CC..Hα-helixtrans-68.3-35.7-177.2-84.128.4000113.2I63 N64 L73 A77 I80 R82 I84 L105 Y109I63-Y67 HydrophobicContact CD1-CD1 3.97Å; I63-Y67 HydrophobicContact CD1-CE1 3.61Å; I63-Y67 HydrophobicContact CG1-CD1 3.99Å; I63-Y67 HydrophobicContact CG1-CE1 3.7Å; I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 VanDerWaalsContact O-CD1 3.29Å; I63-Y67 WeakPolarHBondContact O-CD1 3.41Å; I63-Y67 PolarHBondContact O-N 2.87Å; N64-Y67 PolarHBondContact O-N 3.32Å; Y67-L73 HydrophobicContact CD1-CD2 4.17Å; Y67-L73 HydrophobicContact CD2-CD1 4.29Å; Y67-L73 HydrophobicContact CG-CD1 4.39Å; Y67-L73 HydrophobicContact CG-CD2 4.21Å; Y67-A77 HydrophobicContact CE1-CB 4.45Å; Y67-A77 HydrophobicContact CE2-CB 4.01Å; Y67-I80 HydrophobicContact CE2-CD1 4.43Å; Y67-R82 HydrophobicContact CD2-CG 4.4Å; Y67-R82 PolarHBondContact O-NH1 3.09Å; Y67-I84 HydrophobicContact CD2-CD1 4.06Å; Y67-I84 HydrophobicContact CE2-CD1 4.3Å; Y67-L105 HydrophobicContact CE2-CD2 4.08Å; Y67-L105 PolarHBondContact OH-O 3.15Å; Y67-Y109 AromaticContact CD1-CD2 3.73Å; Y67-Y109 HydrophobicContact CD1-CD2 3.73Å; Y67-Y109 HydrophobicContact CD1-CE2 4.21Å; Y67-Y109 AromaticContact CE1-CD2 3.42Å; Y67-Y109 HydrophobicContact CE1-CD2 3.42Å; Y67-Y109 VanDerWaalsContact CE1-CD2 3.42Å; Y67-Y109 HydrophobicContact CE1-CE2 4.33Å; Y67-Y109 AromaticContact CE1-CG 3.93Å; Y67-Y109 HydrophobicContact CE1-CG 3.93Å
68E95.8Very high96.4Very high155 Ų15547 Ų4772%0.72424%0.239SC*.Hα-helixtrans-68.4-42.6178.5-175.8-177.9167.100111.5N64 V66 T70N64-E68 WeakPolarHBondContact O-CB 3.44Å; N64-E68 PolarHBondContact O-N 3.05Å; V66-E68 PolarHBondContact O-N 3.07Å; E68-T70 VanDerWaalsContact C-N 3.31Å; E68-T70 PolarHBondContact O-N 3.41Å
69R96.3Very high96.1Very high85 Ų8552.1 Ų52.132%0.32127%0.271SS..THydrogen-bonded Turntrans-91.613.2-177.3-49.5173.6-170.2-168.66113.3L37 A65 V66 P71 F147 Q148L37-R69 VanDerWaalsContact CD2-NH1 3.3Å; L37-R69 PolarHBondContact O-NH2 2.95Å; A65-R69 WeakPolarHBondContact O-CG 3.38Å; A65-R69 PolarHBondContact O-N 2.82Å; A65-R69 VanDerWaalsContact O-N 3.14Å; V66-R69 PolarHBondContact O-N 2.78Å; R69-P71 WeakPolarHBondContact O-CD 3.06Å; R69-F147 HydrophobicContact CB-CD2 3.94Å; R69-F147 HydrophobicContact CB-CE2 3.56Å; R69-F147 HydrophobicContact CB-CZ 4.38Å; R69-F147 HydrophobicContact CG-CE2 4.32Å; R69-Q148 HydrophobicContact CB-CB 4.48Å; R69-Q148 WeakPolarHBondContact CB-O 3.23Å; R69-Q148 WeakPolarHBondContact CD-O 3.35Å; R69-Q148 WeakPolarHBondContact O-CB 3.5Å; R69-Q148 PolarHBondContact O-N 3.03Å
70T96.8Very high95.9Very high3 Ų354.2 Ų54.22%0.01828%0.282CS..  trans-107.7103.8172.4-56.40000109.1V66 E68 N72 L73 Y109 N145V66-T70 WeakPolarHBondContact O-CB 3.38Å; V66-T70 PolarHBondContact O-N 2.84Å; V66-T70 PolarHBondContact O-OG1 3.43Å; E68-T70 VanDerWaalsContact C-N 3.31Å; E68-T70 PolarHBondContact O-N 3.41Å; T70-N72 PolarHBondContact O-N 3.04Å; T70-L73 HydrophobicContact CG2-CD2 3.96Å; T70-Y109 HydrophobicContact CG2-CE2 3.95Å; T70-Y109 WeakPolarHBondContact OG1-CE2 3.47Å; T70-Y109 PolarHBondContact OG1-OH 2.95Å; T70-N145 HydrophobicContact CG2-CB 4.1Å; T70-N145 WeakPolarHBondContact CG2-O 3.49Å
71P92.4Very high95.7Very high77 Ų7764.8 Ų64.850%0.532%0.322SS..SBendtrans-60.3-43.2-174.4-24.633.2000113.6R69 Q148R69-P71 WeakPolarHBondContact O-CD 3.06Å; P71-Q148 HydrophobicContact CG-CG 4.24Å
72N91.6Very high95.3Very high134 Ų13467 Ų6772%0.71733%0.327SS*.SBendtrans-114.686-178.5-67-38.9000109.5T70T70-N72 PolarHBondContact O-N 3.04Å
73L95.4Very high94.9Very high11 Ų1171.7 Ų71.76%0.05836%0.358CS..  trans-63.3148.2176.7-77.4177.8000111.9Y67 T70 A77 Q78 Y109Y67-L73 HydrophobicContact CD1-CD2 4.17Å; Y67-L73 HydrophobicContact CD2-CD1 4.29Å; Y67-L73 HydrophobicContact CG-CD1 4.39Å; Y67-L73 HydrophobicContact CG-CD2 4.21Å; T70-L73 HydrophobicContact CG2-CD2 3.96Å; L73-A77 HydrophobicContact CB-CB 4.2Å; L73-A77 HydrophobicContact CD1-CB 4.35Å; L73-A77 HydrophobicContact CD2-CB 4.24Å; L73-Q78 HydrophobicContact CB-CG 3.86Å; L73-Q78 WeakPolarHBondContact O-CG 3.44Å; L73-Q78 PolarHBondContact O-NE2 2.83Å; L73-Y109 HydrophobicContact CD2-CD2 3.83Å; L73-Y109 HydrophobicContact CD2-CE2 3.63Å
74P95.2Very high94.8Very high24 Ų2472 Ų7216%0.15636%0.359CS..  trans-57.8150.8169.4-25.134.7000112.2K76 A77 Q78 Y109 N145P74-K76 VanDerWaalsContact C-N 3.27Å; P74-K76 PolarHBondContact O-N 2.82Å; P74-K76 VanDerWaalsContact O-N 3.11Å; P74-A77 PolarHBondContact O-N 2.92Å; P74-Q78 PolarHBondContact O-N 3.23Å; P74-Q78 VanDerWaalsContact O-N 3.08Å; P74-Y109 WeakPolarHBondContact CG-O 3.41Å; P74-N145 WeakPolarHBondContact CG-ND2 3.46Å
75P94.6Very high94.6Very high104 Ų10478 Ų7868%0.67538%0.384SS*.Hα-helixtrans-52.3-39.6-174.1-29.335000114.8A77 Q78P75-A77 PolarHBondContact O-N 3.31Å; P75-Q78 PolarHBondContact O-N 3.06Å
76K94.8Very high94.5Very high140 Ų14079.4 Ų79.461%0.60940%0.395SS*.Hα-helixtrans-65.6-36.2177.3-71.3-174.4179-1790112.7P74 T79 A108P74-K76 VanDerWaalsContact C-N 3.27Å; P74-K76 PolarHBondContact O-N 2.82Å; P74-K76 VanDerWaalsContact O-N 3.11Å; K76-T79 PolarHBondContact O-OG1 3.38Å; K76-T79 VanDerWaalsContact O-OG1 3.11Å; K76-A108 HydrophobicContact CB-CB 4.1Å
77A95.7Very high94.3Very high0 Ų081.4 Ų81.40%041%0.406CS..Hα-helixtrans-77.4-25.6178.400000112.7Y67 L73 P74 P75 T79 I80 A108Y67-A77 HydrophobicContact CE1-CB 4.45Å; Y67-A77 HydrophobicContact CE2-CB 4.01Å; L73-A77 HydrophobicContact CB-CB 4.2Å; L73-A77 HydrophobicContact CD1-CB 4.35Å; L73-A77 HydrophobicContact CD2-CB 4.24Å; P74-A77 PolarHBondContact O-N 2.92Å; P75-A77 PolarHBondContact O-N 3.31Å; A77-T79 VanDerWaalsContact C-N 3.31Å; A77-T79 PolarHBondContact O-N 3.15Å; A77-I80 WeakPolarHBondContact O-CB 3.3Å; A77-I80 PolarHBondContact O-N 3.05Å; A77-A108 HydrophobicContact CB-CB 4.49Å; A77-A108 PolarHBondContact N-O 2.9Å
78Q94Very high94.1Very high120 Ų12085.3 Ų85.356%0.56144%0.439SS*.Hα-helixtrans-64.5-31.7179.1-69.6178.87.700113.5L73 P74 P75 I80L73-Q78 HydrophobicContact CB-CG 3.86Å; L73-Q78 WeakPolarHBondContact O-CG 3.44Å; L73-Q78 PolarHBondContact O-NE2 2.83Å; P74-Q78 PolarHBondContact O-N 3.23Å; P74-Q78 VanDerWaalsContact O-N 3.08Å; P75-Q78 PolarHBondContact O-N 3.06Å; Q78-I80 PolarHBondContact O-N 2.82Å
79T93.3Very high93.9Very high122 Ų12278.9 Ų78.975%0.74841%0.414SS*.THydrogen-bonded Turntrans-77.7-5.3-178.661.50000113.5K76 A77K76-T79 PolarHBondContact O-OG1 3.38Å; K76-T79 VanDerWaalsContact O-OG1 3.11Å; A77-T79 VanDerWaalsContact C-N 3.31Å; A77-T79 PolarHBondContact O-N 3.15Å
80I94.3Very high93.7Very high44 Ų4480.8 Ų80.823%0.22644%0.435CS..SBendtrans-87.8126.9-173.1-56.8-174.2000110.2Y67 A77 Q78 R82 L105 A108Y67-I80 HydrophobicContact CE2-CD1 4.43Å; A77-I80 WeakPolarHBondContact O-CB 3.3Å; A77-I80 PolarHBondContact O-N 3.05Å; Q78-I80 PolarHBondContact O-N 2.82Å; I80-R82 PolarHBondContact O-N 3.48Å; I80-L105 HydrophobicContact CD1-CD2 3.54Å; I80-L105 HydrophobicContact CG2-CD2 3.68Å; I80-A108 HydrophobicContact CD1-CB 3.72Å
81R92.7Very high93.7Very high224 Ų22482.1 Ų82.185%0.84545%0.446SS*.  trans-65.5126.9175.4-176.4-179.6176.7-175.52110.9
82R90.3Very high93.9Very high122 Ų12281.4 Ų81.446%0.4644%0.442SS..SBendtrans-115.2155.6178.1-66.6177.3-75.5178.3-2111.4Y67 I80Y67-R82 HydrophobicContact CD2-CG 4.4Å; Y67-R82 PolarHBondContact O-NH1 3.09Å; I80-R82 PolarHBondContact O-N 3.48Å
83P91.2Very high94.1Very high99 Ų9981.6 Ų81.664%0.64344%0.436SS*.SBendcis-70.1149.2-8.930.8-34.8000111.4K85P83-K85 PolarHBondContact O-N 3.35Å
84I94.9Very high94.2Very high6 Ų684.3 Ų84.33%0.03145%0.448CS..PPolyproline II helixtrans-72.7125175-61.7128.9000108.1V60 I63 N64 Y67 R101 L105V60-I84 HydrophobicContact CG1-CB 4.17Å; V60-I84 HydrophobicContact CG1-CG2 3.63Å; I63-I84 HydrophobicContact CG2-CD1 4.36Å; N64-I84 PolarHBondContact ND2-O 3.13Å; N64-I84 WeakPolarHBondContact OD1-CB 3.32Å; N64-I84 VanDerWaalsContact OD1-CD1 3.3Å; N64-I84 WeakPolarHBondContact OD1-CD1 3.39Å; N64-I84 PolarHBondContact OD1-N 2.95Å; Y67-I84 HydrophobicContact CD2-CD1 4.06Å; Y67-I84 HydrophobicContact CE2-CD1 4.3Å; I84-R101 HydrophobicContact CG2-CG 4.27Å; I84-R101 VanDerWaalsContact CG2-NE 3.31Å; I84-L105 HydrophobicContact CB-CD1 4.28Å; I84-L105 HydrophobicContact CD1-CD1 3.58Å; I84-L105 HydrophobicContact CD1-CD2 3.93Å; I84-L105 HydrophobicContact CD1-CG 4.38Å; I84-L105 HydrophobicContact CG1-CD1 3.79Å; I84-L105 HydrophobicContact CG1-CD2 4.2Å; I84-L105 HydrophobicContact CG2-CD1 3.76Å
85K95.1Very high94.3Very high159 Ų15984.9 Ų84.969%0.69145%0.448SS*.PPolyproline II helixtrans-95.4124.4178.4-62.4-174.1179.5-173.70110.3P83P83-K85 PolarHBondContact O-N 3.35Å
86A94.5Very high94.4Very high38 Ų3882.8 Ų82.831%0.31443%0.43SS..PPolyproline II helixtrans-74.9148.8170.800000110.8Q57 V60Q57-A86 HydrophobicContact CB-CB 4.4Å; Q57-A86 HydrophobicContact CG-CB 4.07Å; V60-A86 HydrophobicContact CB-CB 3.97Å; V60-A86 HydrophobicContact CG1-CB 3.92Å; V60-A86 HydrophobicContact CG2-CB 4.23Å
87N94.2Very high94.6Very high41 Ų4180.6 Ų80.622%0.21942%0.422CS..PPolyproline II helixtrans-71.9129169.7-161.1-34.1000109.7Q57 G89 K94 E97 N98Q57-N87 PolarHBondContact NE2-O 3.22Å; Q57-N87 VanDerWaalsContact NE2-O 3.1Å; N87-G89 PolarHBondContact OD1-N 3.49Å; N87-K94 HydrophobicContact CB-CB 4.35Å; N87-K94 WeakPolarHBondContact ND2-CG 3.34Å; N87-K94 WeakPolarHBondContact OD1-CD 3.28Å; N87-E97 PolarHBondContact ND2-OE2 3.14Å; N87-N98 WeakPolarHBondContact CA-OD1 3.42Å; N87-N98 WeakPolarHBondContact CB-OD1 3.38Å; N87-N98 PolarHBondContact N-OD1 3.17Å; N87-N98 PolarHBondContact O-ND2 2.88Å
88A92.6Very high94.7Very high84 Ų8480.8 Ų80.869%0.69442%0.423SS*.  trans-86.6-9.5-179.600000113.7
89G91.9Very high94.9Very high20 Ų2075 Ų7521%0.20640%0.396CS..  trans-74.6142.7-175.100000113.5N87 A91N87-G89 PolarHBondContact OD1-N 3.49Å; G89-A91 VanDerWaalsContact C-N 3.32Å; G89-A91 PolarHBondContact O-N 3.27Å
90T92.7Very high95.2Very high124 Ų12472.9 Ų72.976%0.76138%0.378SS*.  trans-80.8-9-17954.90000114.1Q95T90-Q95 PolarHBondContact O-NE2 3.34Å
91A96.3Very high95.3Very high31 Ų3175.5 Ų75.526%0.25639%0.385SS..SBendtrans-63.1139.1-179.400000111.4G89 F93 K94 Q95G89-A91 VanDerWaalsContact C-N 3.32Å; G89-A91 PolarHBondContact O-N 3.27Å; A91-F93 VanDerWaalsContact C-N 3.31Å; A91-F93 HydrophobicContact CB-CD1 3.87Å; A91-F93 HydrophobicContact CB-CE1 3.52Å; A91-F93 HydrophobicContact CB-CZ 4.18Å; A91-F93 PolarHBondContact O-N 3.31Å; A91-F93 VanDerWaalsContact O-N 3.16Å; A91-K94 HydrophobicContact CB-CD 4.24Å; A91-K94 HydrophobicContact CB-CG 4.27Å; A91-K94 WeakPolarHBondContact O-CB 3.3Å; A91-K94 PolarHBondContact O-N 2.91Å; A91-Q95 PolarHBondContact O-N 3.38Å
92P96.2Very high95.6Very high62 Ų6264.9 Ų64.940%0.40335%0.345SS..Hα-helixtrans-49.6-44.7-176.7-33.537.6000114.9K94 Q95 M96 F123P92-K94 VanDerWaalsContact C-N 3.28Å; P92-K94 PolarHBondContact O-N 2.97Å; P92-Q95 PolarHBondContact O-N 2.85Å; P92-M96 WeakPolarHBondContact O-CG 3.19Å; P92-M96 PolarHBondContact O-N 3.39Å; P92-F123 HydrophobicContact CB-CE1 4.47Å; P92-F123 HydrophobicContact CB-CE2 4.49Å; P92-F123 HydrophobicContact CB-CZ 3.75Å; P92-F123 HydrophobicContact CG-CZ 4.48Å
93F96.2Very high96Very high139 Ų13959.3 Ų59.361%0.6132%0.324SS*.Hα-helixtrans-65.7-29.2-17969.7-91.1000113.1A91 E97A91-F93 VanDerWaalsContact C-N 3.31Å; A91-F93 HydrophobicContact CB-CD1 3.87Å; A91-F93 HydrophobicContact CB-CE1 3.52Å; A91-F93 HydrophobicContact CB-CZ 4.18Å; A91-F93 PolarHBondContact O-N 3.31Å; A91-F93 VanDerWaalsContact O-N 3.16Å; F93-E97 VanDerWaalsContact O-CB 3.3Å; F93-E97 WeakPolarHBondContact O-CB 3.49Å; F93-E97 PolarHBondContact O-N 3.19Å
94K97Very high96.4Very high67 Ų6758.5 Ų58.529%0.29131%0.314SS..Hα-helixtrans-74.2-37.1176.1-64.2-176.5167.3-169.20111.7N87 A91 P92 E97 N98N87-K94 HydrophobicContact CB-CB 4.35Å; N87-K94 WeakPolarHBondContact ND2-CG 3.34Å; N87-K94 WeakPolarHBondContact OD1-CD 3.28Å; A91-K94 HydrophobicContact CB-CD 4.24Å; A91-K94 HydrophobicContact CB-CG 4.27Å; A91-K94 WeakPolarHBondContact O-CB 3.3Å; A91-K94 PolarHBondContact O-N 2.91Å; P92-K94 VanDerWaalsContact C-N 3.28Å; P92-K94 PolarHBondContact O-N 2.97Å; K94-E97 PolarHBondContact O-N 2.97Å; K94-N98 PolarHBondContact O-N 2.62Å; K94-N98 VanDerWaalsContact O-N 3.1Å
95Q97.6Very high96.5Very high37 Ų3758.6 Ų58.617%0.17332%0.315CS..Hα-helixtrans-65.8-45172.9-66-176.6-13.900110.8N55 T90 A91 P92 E97 N98 I99 F123N55-Q95 HydrophobicContact CB-CG 4.05Å; T90-Q95 PolarHBondContact O-NE2 3.34Å; A91-Q95 PolarHBondContact O-N 3.38Å; P92-Q95 PolarHBondContact O-N 2.85Å; Q95-E97 VanDerWaalsContact C-N 3.33Å; Q95-E97 PolarHBondContact O-N 3.43Å; Q95-N98 WeakPolarHBondContact O-CB 3.36Å; Q95-N98 PolarHBondContact O-N 2.86Å; Q95-I99 WeakPolarHBondContact O-CG1 3.47Å; Q95-I99 PolarHBondContact O-N 3.24Å; Q95-I99 VanDerWaalsContact O-N 3.15Å; Q95-F123 HydrophobicContact CB-CD2 4.3Å; Q95-F123 HydrophobicContact CB-CE2 3.84Å; Q95-F123 VanDerWaalsContact OE1-CE2 3.31Å
96M97.8Very high96.7Very high59 Ų5951 Ų5129%0.29128%0.282SS..Hα-helixtrans-61.5-39.4174.2-71.6-179.1-178.400112.4P92 I99 Q100 T119 F123P92-M96 WeakPolarHBondContact O-CG 3.19Å; P92-M96 PolarHBondContact O-N 3.39Å; M96-I99 PolarHBondContact O-N 2.86Å; M96-Q100 PolarHBondContact O-N 3.13Å; M96-T119 HydrophobicContact CB-CG2 3.71Å; M96-T119 HydrophobicContact CG-CG2 3.81Å; M96-F123 HydrophobicContact CE-CD1 3.21Å; M96-F123 HydrophobicContact CE-CD2 4.34Å; M96-F123 HydrophobicContact CE-CE1 3.33Å; M96-F123 HydrophobicContact CE-CE2 4.41Å; M96-F123 HydrophobicContact CE-CG 3.77Å; M96-F123 HydrophobicContact CE-CZ 3.96Å; M96-F123 HydrophobicContact CG-CB 4.47Å; M96-F123 HydrophobicContact CG-CD1 4.36Å; M96-F123 HydrophobicContact CG-CD2 3.86Å; M96-F123 HydrophobicContact CG-CE2 4.17Å; M96-F123 HydrophobicContact CG-CG 3.96Å
97E97.9Very high96.9Very high94 Ų9452.3 Ų52.344%0.43928%0.281SS..Hα-helixtrans-60.6-44.1174.5-176.3-168.2-179.800111.8N87 F93 K94 Q95 I99 Q100 R101N87-E97 PolarHBondContact ND2-OE2 3.14Å; F93-E97 VanDerWaalsContact O-CB 3.3Å; F93-E97 WeakPolarHBondContact O-CB 3.49Å; F93-E97 PolarHBondContact O-N 3.19Å; K94-E97 PolarHBondContact O-N 2.97Å; Q95-E97 VanDerWaalsContact C-N 3.33Å; Q95-E97 PolarHBondContact O-N 3.43Å; E97-I99 VanDerWaalsContact C-N 3.32Å; E97-I99 PolarHBondContact O-N 2.71Å; E97-Q100 PolarHBondContact O-N 3.19Å; E97-R101 VanDerWaalsContact O-CB 3.31Å; E97-R101 WeakPolarHBondContact O-CB 3.26Å; E97-R101 PolarHBondContact O-N 3.39Å
98N98.3Very high97.1Very high4 Ų451 Ų512%0.02128%0.276CS..Hα-helixtrans-59.7-43.5175.4-72.5-21.9000112.2N55 V60 N87 K94 Q95 R101 F102N55-N98 WeakPolarHBondContact O-CB 3.48Å; N55-N98 PolarHBondContact O-ND2 3.43Å; V60-N98 HydrophobicContact CG2-CB 4.45Å; N87-N98 WeakPolarHBondContact CA-OD1 3.42Å; N87-N98 WeakPolarHBondContact CB-OD1 3.38Å; N87-N98 PolarHBondContact N-OD1 3.17Å; N87-N98 PolarHBondContact O-ND2 2.88Å; K94-N98 PolarHBondContact O-N 2.62Å; K94-N98 VanDerWaalsContact O-N 3.1Å; Q95-N98 WeakPolarHBondContact O-CB 3.36Å; Q95-N98 PolarHBondContact O-N 2.86Å; N98-R101 PolarHBondContact O-N 3.29Å; N98-F102 PolarHBondContact O-N 3.44Å
99I98.7Very high97.3Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-62.5-49.5176.6-65.9169.5000110.1K54 Q95 M96 E97 R101 F102 L103 F117 T119 L122 F123K54-I99 WeakPolarHBondContact O-CD1 3.47Å; Q95-I99 WeakPolarHBondContact O-CG1 3.47Å; Q95-I99 PolarHBondContact O-N 3.24Å; Q95-I99 VanDerWaalsContact O-N 3.15Å; M96-I99 PolarHBondContact O-N 2.86Å; E97-I99 VanDerWaalsContact C-N 3.32Å; E97-I99 PolarHBondContact O-N 2.71Å; I99-R101 VanDerWaalsContact C-N 3.26Å; I99-R101 PolarHBondContact O-N 3.44Å; I99-F102 WeakPolarHBondContact O-CB 3.46Å; I99-F102 PolarHBondContact O-N 3.4Å; I99-F102 VanDerWaalsContact O-N 3.13Å; I99-L103 HydrophobicContact CG2-CD1 4.27Å; I99-L103 WeakPolarHBondContact O-CG 3.39Å; I99-L103 PolarHBondContact O-N 3.42Å; I99-F117 HydrophobicContact CG2-CE2 3.52Å; I99-F117 HydrophobicContact CG2-CZ 3.84Å; I99-T119 HydrophobicContact CB-CG2 4.06Å; I99-T119 HydrophobicContact CD1-CG2 4.37Å; I99-T119 HydrophobicContact CG2-CG2 3.96Å; I99-L122 HydrophobicContact CD1-CB 4.4Å; I99-L122 HydrophobicContact CD1-CD2 3.84Å; I99-L122 HydrophobicContact CD1-CG 4.07Å; I99-L122 HydrophobicContact CG1-CD2 3.98Å; I99-L122 HydrophobicContact CG2-CD2 4.41Å; I99-F123 HydrophobicContact CD1-CB 4.13Å; I99-F123 HydrophobicContact CD1-CD2 4.36Å
100Q98.3Very high97.5Very high77 Ų7747.7 Ų47.736%0.3625%0.25SS..Hα-helixtrans-59.2-41.4179-172.659.249.600111.2M96 E97 F102 L103 D104 T119M96-Q100 PolarHBondContact O-N 3.13Å; E97-Q100 PolarHBondContact O-N 3.19Å; Q100-F102 VanDerWaalsContact C-N 3.34Å; Q100-F102 PolarHBondContact O-N 2.86Å; Q100-L103 WeakPolarHBondContact O-CB 3.41Å; Q100-L103 PolarHBondContact O-N 3.5Å; Q100-L103 VanDerWaalsContact O-N 3.07Å; Q100-D104 PolarHBondContact NE2-OD1 3.15Å; Q100-D104 VanDerWaalsContact O-CG 3.24Å; Q100-D104 PolarHBondContact O-N 3.28Å; Q100-T119 PolarHBondContact OE1-OG1 2.93Å
101R97.9Very high97.8Very high99 Ų9941.9 Ų41.937%0.37422%0.215SC..Hα-helixtrans-60-43176.1-169.9164.9-170.1155.6-0.6112.1I84 E97 N98 I99 L103 L105I84-R101 HydrophobicContact CG2-CG 4.27Å; I84-R101 VanDerWaalsContact CG2-NE 3.31Å; E97-R101 VanDerWaalsContact O-CB 3.31Å; E97-R101 WeakPolarHBondContact O-CB 3.26Å; E97-R101 PolarHBondContact O-N 3.39Å; N98-R101 PolarHBondContact O-N 3.29Å; I99-R101 VanDerWaalsContact C-N 3.26Å; I99-R101 PolarHBondContact O-N 3.44Å; R101-L103 VanDerWaalsContact C-N 3.33Å; R101-L103 PolarHBondContact O-N 2.98Å; R101-L105 HydrophobicContact CG-CD1 3.92Å; R101-L105 WeakPolarHBondContact O-CB 3.43Å; R101-L105 VanDerWaalsContact O-CD1 3.23Å; R101-L105 WeakPolarHBondContact O-CD1 3.37Å; R101-L105 WeakPolarHBondContact O-CG 3.34Å; R101-L105 PolarHBondContact O-N 3.46Å; R101-L105 VanDerWaalsContact O-N 3.09Å
102F98.7Very high97.8Very high0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-59.6-42.4172.8165-99.6000112.4L59 L62 I63 N98 I99 Q100 L105 S106 F117 L135 L138L59-F102 HydrophobicContact CB-CB 3.82Å; L59-F102 HydrophobicContact CB-CD1 4.13Å; L59-F102 HydrophobicContact CB-CD2 3.75Å; L59-F102 HydrophobicContact CB-CE2 4.35Å; L59-F102 HydrophobicContact CB-CG 3.61Å; L59-F102 HydrophobicContact CD1-CD1 3.97Å; L59-F102 HydrophobicContact CD1-CE1 4.44Å; L59-F102 HydrophobicContact CD1-CG 4.27Å; L59-F102 HydrophobicContact CD2-CE1 4.38Å; L59-F102 HydrophobicContact CD2-CZ 4.37Å; L59-F102 HydrophobicContact CG-CD1 4.46Å; L59-F102 HydrophobicContact CG-CG 4.41Å; L59-F102 WeakPolarHBondContact O-CD2 3.16Å; L62-F102 HydrophobicContact CD2-CE2 4.22Å; I63-F102 HydrophobicContact CB-CD2 3.92Å; I63-F102 HydrophobicContact CB-CE2 4.2Å; I63-F102 HydrophobicContact CG2-CD2 4.18Å; N98-F102 PolarHBondContact O-N 3.44Å; I99-F102 WeakPolarHBondContact O-CB 3.46Å; I99-F102 PolarHBondContact O-N 3.4Å; I99-F102 VanDerWaalsContact O-N 3.13Å; Q100-F102 VanDerWaalsContact C-N 3.34Å; Q100-F102 PolarHBondContact O-N 2.86Å; F102-L105 PolarHBondContact O-N 3.34Å; F102-S106 WeakPolarHBondContact CE2-OG 3.47Å; F102-S106 WeakPolarHBondContact CZ-OG 3.34Å; F102-S106 WeakPolarHBondContact O-CB 3.44Å; F102-S106 PolarHBondContact O-N 2.88Å; F102-S106 PolarHBondContact O-OG 3.41Å; F102-F117 HydrophobicContact CD1-CE1 4.27Å; F102-F117 HydrophobicContact CD1-CZ 4.33Å; F102-F117 AromaticContact CE1-CE1 3.94Å; F102-F117 HydrophobicContact CE1-CE1 3.94Å; F102-F117 HydrophobicContact CE1-CZ 4.43Å; F102-L135 HydrophobicContact CE1-CD2 4.31Å; F102-L135 HydrophobicContact CZ-CD2 3.71Å; F102-L138 HydrophobicContact CE2-CD2 3.82Å; F102-L138 HydrophobicContact CZ-CD2 3.88Å
103L98.8Very high97.8Very high5 Ų548 Ų483%0.02623%0.229CC..Hα-helixtrans-64.3-47.6179.6-64171.8000111.7I99 Q100 R101 L105 S106 E107 L116 F117I99-L103 HydrophobicContact CG2-CD1 4.27Å; I99-L103 WeakPolarHBondContact O-CG 3.39Å; I99-L103 PolarHBondContact O-N 3.42Å; Q100-L103 WeakPolarHBondContact O-CB 3.41Å; Q100-L103 PolarHBondContact O-N 3.5Å; Q100-L103 VanDerWaalsContact O-N 3.07Å; R101-L103 VanDerWaalsContact C-N 3.33Å; R101-L103 PolarHBondContact O-N 2.98Å; L103-L105 VanDerWaalsContact C-N 3.27Å; L103-L105 PolarHBondContact O-N 3.25Å; L103-S106 WeakPolarHBondContact O-CB 3.31Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-S106 VanDerWaalsContact O-N 3.15Å; L103-E107 PolarHBondContact O-N 2.98Å; L103-L116 HydrophobicContact CD2-CB 4.29Å; L103-L116 HydrophobicContact CD2-CD2 4.08Å; L103-F117 HydrophobicContact CD1-CD2 4.49Å; L103-F117 HydrophobicContact CD1-CE2 4.28Å; L103-F117 WeakPolarHBondContact CD1-O 3.37Å; L103-F117 HydrophobicContact CD2-CD1 3.79Å; L103-F117 HydrophobicContact CD2-CD2 4.25Å; L103-F117 HydrophobicContact CD2-CE1 3.63Å; L103-F117 HydrophobicContact CD2-CE2 4.09Å; L103-F117 HydrophobicContact CD2-CG 4.09Å; L103-F117 HydrophobicContact CD2-CZ 3.78Å; L103-F117 HydrophobicContact CG-CE2 4.48Å; L103-F117 HydrophobicContact CG-CZ 4.35Å
104D98.4Very high97.8Very high82 Ų8248.8 Ų48.844%0.43923%0.234SC..Hα-helixtrans-61-38.9178.8-60.5-20000111.2Q100 E107 A108Q100-D104 PolarHBondContact NE2-OD1 3.15Å; Q100-D104 VanDerWaalsContact O-CG 3.24Å; Q100-D104 PolarHBondContact O-N 3.28Å; D104-E107 PolarHBondContact O-N 3.17Å; D104-A108 WeakPolarHBondContact O-CB 3.37Å; D104-A108 PolarHBondContact O-N 3.45Å
105L98.5Very high97.7Very high9 Ų947.4 Ų47.45%0.04723%0.233CC..Hα-helixtrans-70.1-41175.8-66.1166.3000111.8I63 Y67 I80 I84 R101 F102 L103 E107 A108 Y109I63-L105 HydrophobicContact CG1-CB 3.72Å; I63-L105 HydrophobicContact CG2-CB 4.32Å; I63-L105 HydrophobicContact CG2-CD1 3.77Å; Y67-L105 HydrophobicContact CE2-CD2 4.08Å; Y67-L105 PolarHBondContact OH-O 3.15Å; I80-L105 HydrophobicContact CD1-CD2 3.54Å; I80-L105 HydrophobicContact CG2-CD2 3.68Å; I84-L105 HydrophobicContact CB-CD1 4.28Å; I84-L105 HydrophobicContact CD1-CD1 3.58Å; I84-L105 HydrophobicContact CD1-CD2 3.93Å; I84-L105 HydrophobicContact CD1-CG 4.38Å; I84-L105 HydrophobicContact CG1-CD1 3.79Å; I84-L105 HydrophobicContact CG1-CD2 4.2Å; I84-L105 HydrophobicContact CG2-CD1 3.76Å; R101-L105 HydrophobicContact CG-CD1 3.92Å; R101-L105 WeakPolarHBondContact O-CB 3.43Å; R101-L105 VanDerWaalsContact O-CD1 3.23Å; R101-L105 WeakPolarHBondContact O-CD1 3.37Å; R101-L105 WeakPolarHBondContact O-CG 3.34Å; R101-L105 PolarHBondContact O-N 3.46Å; R101-L105 VanDerWaalsContact O-N 3.09Å; F102-L105 PolarHBondContact O-N 3.34Å; L103-L105 VanDerWaalsContact C-N 3.27Å; L103-L105 PolarHBondContact O-N 3.25Å; L105-E107 VanDerWaalsContact C-N 3.29Å; L105-E107 PolarHBondContact O-N 2.88Å; L105-A108 PolarHBondContact O-N 3.33Å; L105-Y109 WeakPolarHBondContact O-CB 3.29Å; L105-Y109 PolarHBondContact O-N 3.35Å
106S98.6Very high97.8Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-61.4-40.3174.6-590000111.3F102 L103 Y109 G110 V111F102-S106 WeakPolarHBondContact CE2-OG 3.47Å; F102-S106 WeakPolarHBondContact CZ-OG 3.34Å; F102-S106 WeakPolarHBondContact O-CB 3.44Å; F102-S106 PolarHBondContact O-N 2.88Å; F102-S106 PolarHBondContact O-OG 3.41Å; L103-S106 WeakPolarHBondContact O-CB 3.31Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-S106 VanDerWaalsContact O-N 3.15Å; S106-Y109 WeakPolarHBondContact O-CB 3.44Å; S106-Y109 PolarHBondContact O-N 3.41Å; S106-G110 PolarHBondContact O-N 2.93Å; S106-V111 VanDerWaalsContact O-CB 3.31Å; S106-V111 WeakPolarHBondContact O-CB 3.49Å; S106-V111 WeakPolarHBondContact O-CG2 3.37Å; S106-V111 PolarHBondContact O-N 3.19Å
107E98.4Very high97.8Very high64 Ų6444.1 Ų44.130%0.29922%0.217SC..Hα-helixtrans-62.9-46.1174-164.7-177.9167.700111.6L103 D104 L105 Y109 G110 L116L103-E107 PolarHBondContact O-N 2.98Å; D104-E107 PolarHBondContact O-N 3.17Å; L105-E107 VanDerWaalsContact C-N 3.29Å; L105-E107 PolarHBondContact O-N 2.88Å; E107-Y109 PolarHBondContact O-N 3.23Å; E107-G110 PolarHBondContact O-N 2.74Å; E107-L116 HydrophobicContact CB-CD1 3.86Å; E107-L116 HydrophobicContact CG-CD1 4.23Å
108A97.9Very high97.7Very high13 Ų1345.8 Ų45.811%0.10723%0.225CC..Hα-helixtrans-62.5-28.4177.500000112.8K76 A77 I80 D104 L105 G110K76-A108 HydrophobicContact CB-CB 4.1Å; A77-A108 HydrophobicContact CB-CB 4.49Å; A77-A108 PolarHBondContact N-O 2.9Å; I80-A108 HydrophobicContact CD1-CB 3.72Å; D104-A108 WeakPolarHBondContact O-CB 3.37Å; D104-A108 PolarHBondContact O-N 3.45Å; L105-A108 PolarHBondContact O-N 3.33Å; A108-G110 VanDerWaalsContact C-N 3.3Å
109Y98Very high97.7Very high0 Ų046.9 Ų46.90%023%0.232CC..THydrogen-bonded Turntrans-76.9-13.6173-164.1-101.7000113.7V66 Y67 T70 L73 P74 L105 S106 E107 L138 E141 C142 N145V66-Y109 HydrophobicContact CG1-CD1 4.28Å; V66-Y109 HydrophobicContact CG1-CD2 4.12Å; V66-Y109 HydrophobicContact CG1-CE1 3.81Å; V66-Y109 HydrophobicContact CG1-CE2 3.6Å; V66-Y109 HydrophobicContact CG1-CG 4.43Å; V66-Y109 VanDerWaalsContact CG1-CZ 3.43Å; Y67-Y109 AromaticContact CD1-CD2 3.73Å; Y67-Y109 HydrophobicContact CD1-CD2 3.73Å; Y67-Y109 HydrophobicContact CD1-CE2 4.21Å; Y67-Y109 AromaticContact CE1-CD2 3.42Å; Y67-Y109 HydrophobicContact CE1-CD2 3.42Å; Y67-Y109 VanDerWaalsContact CE1-CD2 3.42Å; Y67-Y109 HydrophobicContact CE1-CE2 4.33Å; Y67-Y109 AromaticContact CE1-CG 3.93Å; Y67-Y109 HydrophobicContact CE1-CG 3.93Å; T70-Y109 HydrophobicContact CG2-CE2 3.95Å; T70-Y109 WeakPolarHBondContact OG1-CE2 3.47Å; T70-Y109 PolarHBondContact OG1-OH 2.95Å; L73-Y109 HydrophobicContact CD2-CD2 3.83Å; L73-Y109 HydrophobicContact CD2-CE2 3.63Å; P74-Y109 WeakPolarHBondContact CG-O 3.41Å; L105-Y109 WeakPolarHBondContact O-CB 3.29Å; L105-Y109 PolarHBondContact O-N 3.35Å; S106-Y109 WeakPolarHBondContact O-CB 3.44Å; S106-Y109 PolarHBondContact O-N 3.41Å; E107-Y109 PolarHBondContact O-N 3.23Å; Y109-L138 HydrophobicContact CD1-CD1 3.87Å; Y109-L138 HydrophobicContact CE1-CD1 4.45Å; Y109-E141 HydrophobicContact CD1-CB 4.1Å; Y109-E141 HydrophobicContact CE1-CB 4.19Å; Y109-C142 HydrophobicContact CE1-CB 4.42Å; Y109-N145 HydrophobicContact CE1-CB 4.32Å; Y109-N145 WeakPolarHBondContact CE1-ND2 3.43Å; Y109-N145 PolarHBondContact O-ND2 2.97Å
110G96.4Very high97.5Very high35 Ų3548.6 Ų48.636%0.36124%0.242SC..THydrogen-bonded Turntrans113.34.3175.900000115.1S106 E107 A108 P112S106-G110 PolarHBondContact O-N 2.93Å; E107-G110 PolarHBondContact O-N 2.74Å; A108-G110 VanDerWaalsContact C-N 3.3Å; G110-P112 WeakPolarHBondContact O-CD 3.5Å
111V98Very high97.4Very high2 Ų245.9 Ų45.91%0.01223%0.23CC..  trans-63.8122.8171.4179.50000108.3S106 R113 C115 L116 Q137 L138 E141S106-V111 VanDerWaalsContact O-CB 3.31Å; S106-V111 WeakPolarHBondContact O-CB 3.49Å; S106-V111 WeakPolarHBondContact O-CG2 3.37Å; S106-V111 PolarHBondContact O-N 3.19Å; V111-R113 PolarHBondContact O-N 3.11Å; V111-C115 HydrophobicContact CG1-CB 4.24Å; V111-L116 HydrophobicContact CB-CD2 4.14Å; V111-L116 HydrophobicContact CG1-CD2 3.64Å; V111-L116 HydrophobicContact CG1-CG 4.21Å; V111-Q137 HydrophobicContact CG1-CB 4.33Å; V111-Q137 HydrophobicContact CG1-CG 3.93Å; V111-L138 HydrophobicContact CG2-CB 3.95Å; V111-L138 HydrophobicContact CG2-CD1 3.71Å; V111-L138 HydrophobicContact CG2-CG 4.46Å; V111-E141 HydrophobicContact CB-CG 4.46Å; V111-E141 HydrophobicContact CG2-CB 4.37Å; V111-E141 HydrophobicContact CG2-CG 3.89Å
112P96.7Very high97.4Very high44 Ų4441.1 Ų41.129%0.28621%0.212SC..  trans-59.7139.8179.1-22.332.7000110.9G110 E114 C115 L116G110-P112 WeakPolarHBondContact O-CD 3.5Å; P112-E114 WeakPolarHBondContact CB-OE2 3.28Å; P112-E114 PolarHBondContact O-N 3.4Å; P112-E114 VanDerWaalsContact O-N 3.15Å; P112-C115 WeakPolarHBondContact O-CB 3.36Å; P112-C115 PolarHBondContact O-N 2.59Å; P112-L116 PolarHBondContact O-N 3.33Å
113R96.4Very high97.4Very high179 Ų17942.2 Ų42.268%0.67522%0.217SC*.G310 helixtrans-60.1-29.3-176.4-179.7173.1165.9161.4-2.7112.3V111 C115 L116V111-R113 PolarHBondContact O-N 3.11Å; R113-C115 PolarHBondContact O-N 3.32Å; R113-L116 PolarHBondContact O-N 3.33Å
114E95.3Very high97.2Very high154 Ų15445.9 Ų45.972%0.7223%0.234SC*.G310 helixtrans-69.7-22.8178.2-49.273.5-151.800112.3P112P112-E114 WeakPolarHBondContact CB-OE2 3.28Å; P112-E114 PolarHBondContact O-N 3.4Å; P112-E114 VanDerWaalsContact O-N 3.15Å
115C95.5Very high97Very high38 Ų3843.3 Ų43.326%0.25722%0.224SC..G310 helixtrans-90.1-12.2177.8-610000112.8V111 P112 R113 T134 Q137V111-C115 HydrophobicContact CG1-CB 4.24Å; P112-C115 WeakPolarHBondContact O-CB 3.36Å; P112-C115 PolarHBondContact O-N 2.59Å; R113-C115 PolarHBondContact O-N 3.32Å; C115-T134 WeakPolarHBondContact O-CB 3.34Å; C115-T134 PolarHBondContact O-OG1 3.11Å; C115-Q137 HydrophobicContact CB-CB 4.19Å; C115-Q137 HydrophobicContact CB-CG 3.83Å
116L98.4Very high96.6Very high24 Ų2447.7 Ų47.713%0.12624%0.24CC..PPolyproline II helixtrans-73.7138.2178.5-64.2172.6000110.5L103 E107 V111 P112 R113 Q130 T134L103-L116 HydrophobicContact CD2-CB 4.29Å; L103-L116 HydrophobicContact CD2-CD2 4.08Å; E107-L116 HydrophobicContact CB-CD1 3.86Å; E107-L116 HydrophobicContact CG-CD1 4.23Å; V111-L116 HydrophobicContact CB-CD2 4.14Å; V111-L116 HydrophobicContact CG1-CD2 3.64Å; V111-L116 HydrophobicContact CG1-CG 4.21Å; P112-L116 PolarHBondContact O-N 3.33Å; R113-L116 PolarHBondContact O-N 3.33Å; L116-Q130 PolarHBondContact O-NE2 2.88Å; L116-T134 HydrophobicContact CD2-CG2 3.81Å
117F98.1Very high96.4Very high4 Ų448.8 Ų48.82%0.01825%0.246CC..PPolyproline II helixtrans-78.2157.1170.670.4-98.1000110.5L59 I99 F102 L103 D121 L122 Q130 V131 T134L59-F117 HydrophobicContact CD1-CZ 4.17Å; I99-F117 HydrophobicContact CG2-CE2 3.52Å; I99-F117 HydrophobicContact CG2-CZ 3.84Å; F102-F117 HydrophobicContact CD1-CE1 4.27Å; F102-F117 HydrophobicContact CD1-CZ 4.33Å; F102-F117 AromaticContact CE1-CE1 3.94Å; F102-F117 HydrophobicContact CE1-CE1 3.94Å; F102-F117 HydrophobicContact CE1-CZ 4.43Å; L103-F117 HydrophobicContact CD1-CD2 4.49Å; L103-F117 HydrophobicContact CD1-CE2 4.28Å; L103-F117 WeakPolarHBondContact CD1-O 3.37Å; L103-F117 HydrophobicContact CD2-CD1 3.79Å; L103-F117 HydrophobicContact CD2-CD2 4.25Å; L103-F117 HydrophobicContact CD2-CE1 3.63Å; L103-F117 HydrophobicContact CD2-CE2 4.09Å; L103-F117 HydrophobicContact CD2-CG 4.09Å; L103-F117 HydrophobicContact CD2-CZ 3.78Å; L103-F117 HydrophobicContact CG-CE2 4.48Å; L103-F117 HydrophobicContact CG-CZ 4.35Å; F117-D121 HydrophobicContact CB-CB 4.19Å; F117-D121 HydrophobicContact CD2-CB 4.3Å; F117-L122 HydrophobicContact CD2-CB 4.14Å; F117-L122 HydrophobicContact CE2-CB 3.6Å; F117-L122 HydrophobicContact CE2-CD2 4.08Å; F117-L122 HydrophobicContact CZ-CB 4.21Å; F117-L122 HydrophobicContact CZ-CD2 3.92Å; F117-Q130 HydrophobicContact CB-CB 4.18Å; F117-Q130 HydrophobicContact CB-CG 3.64Å; F117-V131 HydrophobicContact CB-CG2 4.19Å; F117-V131 HydrophobicContact CD1-CB 4.24Å; F117-V131 HydrophobicContact CD1-CG1 4.21Å; F117-V131 HydrophobicContact CD1-CG2 4.14Å; F117-V131 HydrophobicContact CD2-CG2 3.98Å; F117-V131 HydrophobicContact CE1-CG1 4.05Å; F117-V131 HydrophobicContact CE2-CG2 4.41Å; F117-V131 HydrophobicContact CG-CB 4.43Å; F117-V131 HydrophobicContact CG-CG2 3.87Å; F117-V131 HydrophobicContact CZ-CG1 4.46Å; F117-T134 HydrophobicContact CD1-CG2 3.89Å; F117-T134 WeakPolarHBondContact CD1-OG1 3.46Å; F117-T134 HydrophobicContact CE1-CG2 4.34Å; F117-T134 PolarHBondContact N-OG1 3.24Å
118Q97.4Very high96.3Very high129 Ų12945.8 Ų45.860%0.60323%0.232SC*.PPolyproline II helixtrans-85.1147.8172.8-62.4-174-26.600110.5V120 D121Q118-V120 HydrophobicContact CB-CG2 4.09Å; Q118-V120 PolarHBondContact O-N 2.96Å; Q118-D121 PolarHBondContact N-OD2 3.2Å; Q118-D121 WeakPolarHBondContact O-CA 3.38Å; Q118-D121 VanDerWaalsContact O-CB 3.23Å; Q118-D121 WeakPolarHBondContact O-CB 3.42Å; Q118-D121 PolarHBondContact O-N 3.37Å
119T98.2Very high96.2Very high26 Ų2645.8 Ų45.816%0.1623%0.232CC..Hα-helixtrans-46.4-39-179.3-42.80000114M96 I99 Q100 D121 F123M96-T119 HydrophobicContact CB-CG2 3.71Å; M96-T119 HydrophobicContact CG-CG2 3.81Å; I99-T119 HydrophobicContact CB-CG2 4.06Å; I99-T119 HydrophobicContact CD1-CG2 4.37Å; I99-T119 HydrophobicContact CG2-CG2 3.96Å; Q100-T119 PolarHBondContact OE1-OG1 2.93Å; T119-D121 VanDerWaalsContact C-N 3.34Å; T119-D121 PolarHBondContact O-N 3.36Å; T119-F123 WeakPolarHBondContact O-CB 3.3Å; T119-F123 PolarHBondContact O-N 3.25Å
120V94.9Very high96.1Very high37 Ų3748.2 Ų48.222%0.22424%0.244CC..Hα-helixtrans-68.3-27.2178.6-63.40000114Q118 L122 E124Q118-V120 HydrophobicContact CB-CG2 4.09Å; Q118-V120 PolarHBondContact O-N 2.96Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 PolarHBondContact O-N 3.47Å; V120-E124 WeakPolarHBondContact O-CA 3.36Å; V120-E124 WeakPolarHBondContact O-CB 3.46Å; V120-E124 PolarHBondContact O-N 3.31Å
121D96.1Very high96.2Very high19 Ų1946.6 Ų46.610%0.10223%0.227CC..Hα-helixtrans-61.7-40.1179.4-66.8-29000111.2F117 Q118 T119 A125 R126 N127 V131F117-D121 HydrophobicContact CB-CB 4.19Å; F117-D121 HydrophobicContact CD2-CB 4.3Å; Q118-D121 PolarHBondContact N-OD2 3.2Å; Q118-D121 WeakPolarHBondContact O-CA 3.38Å; Q118-D121 VanDerWaalsContact O-CB 3.23Å; Q118-D121 WeakPolarHBondContact O-CB 3.42Å; Q118-D121 PolarHBondContact O-N 3.37Å; T119-D121 VanDerWaalsContact C-N 3.34Å; T119-D121 PolarHBondContact O-N 3.36Å; D121-A125 CarbonylContact O-C 3.03Å; D121-A125 VanDerWaalsContact O-C 3.3Å; D121-A125 VanDerWaalsContact O-CA 3.24Å; D121-A125 WeakPolarHBondContact O-CA 3.15Å; D121-A125 PolarHBondContact O-N 3Å; D121-R126 PolarHBondContact O-N 3.33Å; D121-R126 VanDerWaalsContact O-N 3.14Å; D121-N127 HydrophobicContact CB-CB 4.06Å; D121-N127 PolarHBondContact O-N 3.28Å; D121-N127 WeakPolarHBondContact OD1-CB 3.33Å; D121-V131 HydrophobicContact CB-CG2 4.29Å
122L97.9Very high96.2Very high0 Ų046.8 Ų46.80%023%0.227CC..Hα-helixtrans-85.5-52.7172.6176.357.3000111.7Q50 L53 L59 I99 F117 V120 E124 A125 M128 V131Q50-L122 HydrophobicContact CG-CD1 4.36Å; Q50-L122 WeakPolarHBondContact CG-O 3.44Å; Q50-L122 PolarHBondContact NE2-O 3.44Å; L53-L122 HydrophobicContact CB-CD1 3.95Å; L53-L122 HydrophobicContact CB-CD2 4.24Å; L59-L122 HydrophobicContact CD1-CD2 3.51Å; I99-L122 HydrophobicContact CD1-CB 4.4Å; I99-L122 HydrophobicContact CD1-CD2 3.84Å; I99-L122 HydrophobicContact CD1-CG 4.07Å; I99-L122 HydrophobicContact CG1-CD2 3.98Å; I99-L122 HydrophobicContact CG2-CD2 4.41Å; F117-L122 HydrophobicContact CD2-CB 4.14Å; F117-L122 HydrophobicContact CE2-CB 3.6Å; F117-L122 HydrophobicContact CE2-CD2 4.08Å; F117-L122 HydrophobicContact CZ-CB 4.21Å; F117-L122 HydrophobicContact CZ-CD2 3.92Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 PolarHBondContact O-N 3.47Å; L122-E124 PolarHBondContact O-N 2.98Å; L122-A125 PolarHBondContact O-N 2.87Å; L122-M128 HydrophobicContact CD1-CE 3.95Å; L122-M128 HydrophobicContact CD1-SD 3.99Å; L122-V131 HydrophobicContact CB-CG2 3.84Å; L122-V131 HydrophobicContact CD1-CG1 4.35Å
123F97.5Very high96.2Very high23 Ų2346.6 Ų46.610%0.10123%0.23CC..Hα-helixtrans-64-41-169.8-173.7-91.3000113.1Q50 K54 P92 Q95 M96 I99 T119Q50-F123 PolarHBondContact NE2-O 3.03Å; Q50-F123 VanDerWaalsContact NE2-O 3.12Å; K54-F123 WeakPolarHBondContact CE-O 3.4Å; K54-F123 HydrophobicContact CG-CD2 4.01Å; K54-F123 HydrophobicContact CG-CE2 4.28Å; K54-F123 PolarHBondContact NZ-O 2.94Å; P92-F123 HydrophobicContact CB-CE1 4.47Å; P92-F123 HydrophobicContact CB-CE2 4.49Å; P92-F123 HydrophobicContact CB-CZ 3.75Å; P92-F123 HydrophobicContact CG-CZ 4.48Å; Q95-F123 HydrophobicContact CB-CD2 4.3Å; Q95-F123 HydrophobicContact CB-CE2 3.84Å; Q95-F123 VanDerWaalsContact OE1-CE2 3.31Å; M96-F123 HydrophobicContact CE-CD1 3.21Å; M96-F123 HydrophobicContact CE-CD2 4.34Å; M96-F123 HydrophobicContact CE-CE1 3.33Å; M96-F123 HydrophobicContact CE-CE2 4.41Å; M96-F123 HydrophobicContact CE-CG 3.77Å; M96-F123 HydrophobicContact CE-CZ 3.96Å; M96-F123 HydrophobicContact CG-CB 4.47Å; M96-F123 HydrophobicContact CG-CD1 4.36Å; M96-F123 HydrophobicContact CG-CD2 3.86Å; M96-F123 HydrophobicContact CG-CE2 4.17Å; M96-F123 HydrophobicContact CG-CG 3.96Å; I99-F123 HydrophobicContact CD1-CB 4.13Å; I99-F123 HydrophobicContact CD1-CD2 4.36Å; T119-F123 WeakPolarHBondContact O-CB 3.3Å; T119-F123 PolarHBondContact O-N 3.25Å
124E94.8Very high96.3Very high82 Ų8238.1 Ų38.138%0.38320%0.198SC..THydrogen-bonded Turntrans-102.26.4177.8-57.2-175.6174.200112.6R4 V120 L122 R126R4-E124 IonicContact NH1-OE2 2.81Å; R4-E124 PolarHBondContact NH1-OE2 3.44Å; V120-E124 WeakPolarHBondContact O-CA 3.36Å; V120-E124 WeakPolarHBondContact O-CB 3.46Å; V120-E124 PolarHBondContact O-N 3.31Å; L122-E124 PolarHBondContact O-N 2.98Å; E124-R126 HydrophobicContact CB-CG 4.06Å; E124-R126 PolarHBondContact O-N 3.47Å; E124-R126 IonicContact OE2-CZ 3.81Å; E124-R126 VanDerWaalsContact OE2-CZ 3.25Å; E124-R126 IonicContact OE2-NE 3.25Å; E124-R126 PolarHBondContact OE2-NE 2.91Å; E124-R126 IonicContact OE2-NH2 2.68Å; E124-R126 PolarHBondContact OE2-NH2 3.49Å
125A93.3Very high96.4Very high28 Ų2830.8 Ų30.823%0.23116%0.163CC..  trans60.222.3-179.500000115.4R46 Q50 D121 L122 N127 M128R46-A125 PolarHBondContact NH2-O 3.31Å; Q50-A125 HydrophobicContact CG-CB 3.7Å; D121-A125 CarbonylContact O-C 3.03Å; D121-A125 VanDerWaalsContact O-C 3.3Å; D121-A125 VanDerWaalsContact O-CA 3.24Å; D121-A125 WeakPolarHBondContact O-CA 3.15Å; D121-A125 PolarHBondContact O-N 3Å; L122-A125 PolarHBondContact O-N 2.87Å; A125-N127 PolarHBondContact O-N 3.28Å; A125-M128 HydrophobicContact CB-CG 4.38Å
126R90.9Very high96.6Very high101 Ų10130.4 Ų30.438%0.38116%0.159SC..THydrogen-bonded Turntrans-62.5-39.7-174.8-62.4-164.4-174.1-174.510.2113.1R4 D121 E124R4-R126 VanDerWaalsContact NH1-NE 3.11Å; D121-R126 PolarHBondContact O-N 3.33Å; D121-R126 VanDerWaalsContact O-N 3.14Å; E124-R126 HydrophobicContact CB-CG 4.06Å; E124-R126 PolarHBondContact O-N 3.47Å; E124-R126 IonicContact OE2-CZ 3.81Å; E124-R126 VanDerWaalsContact OE2-CZ 3.25Å; E124-R126 IonicContact OE2-NE 3.25Å; E124-R126 PolarHBondContact OE2-NE 2.91Å; E124-R126 IonicContact OE2-NH2 2.68Å; E124-R126 PolarHBondContact OE2-NH2 3.49Å
127N94Very high96.6Very high23 Ų2331.3 Ų31.312%0.12316%0.162CC..THydrogen-bonded Turntrans-147.971.5-176.2-170.51.2000111.3L18 D121 A125 A129 Q130 V131L18-N127 HydrophobicContact CD1-CB 4.45Å; D121-N127 HydrophobicContact CB-CB 4.06Å; D121-N127 PolarHBondContact O-N 3.28Å; D121-N127 WeakPolarHBondContact OD1-CB 3.33Å; A125-N127 PolarHBondContact O-N 3.28Å; N127-A129 PolarHBondContact O-N 3.1Å; N127-A129 PolarHBondContact OD1-N 3.04Å; N127-Q130 HydrophobicContact CB-CB 4.38Å; N127-Q130 WeakPolarHBondContact ND2-CB 3.5Å; N127-Q130 PolarHBondContact O-N 3.44Å; N127-Q130 VanDerWaalsContact O-N 3.13Å; N127-Q130 PolarHBondContact OD1-N 3.41Å; N127-V131 PolarHBondContact O-N 2.89Å
128M96.1Very high96.6Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-63.1-20.3177.4-68.7-58.5-58.500113.3Y22 R46 V49 Q50 L122 A125 V131 L132Y22-M128 HydrophobicContact CD2-CB 3.78Å; Y22-M128 HydrophobicContact CE2-CB 3.59Å; R46-M128 HydrophobicContact CG-CB 4.02Å; R46-M128 HydrophobicContact CG-CG 3.97Å; V49-M128 HydrophobicContact CG1-CE 4.11Å; Q50-M128 HydrophobicContact CB-CE 3.8Å; Q50-M128 HydrophobicContact CB-CG 4.44Å; Q50-M128 HydrophobicContact CB-SD 3.78Å; Q50-M128 HydrophobicContact CG-CE 4.21Å; Q50-M128 HydrophobicContact CG-CG 4.48Å; Q50-M128 HydrophobicContact CG-SD 3.59Å; Q50-M128 VanDerWaalsContact CG-SD 3.59Å; L122-M128 HydrophobicContact CD1-CE 3.95Å; L122-M128 HydrophobicContact CD1-SD 3.99Å; A125-M128 HydrophobicContact CB-CG 4.38Å; M128-V131 HydrophobicContact CE-CB 4.34Å; M128-V131 HydrophobicContact CE-CG1 4.39Å; M128-V131 HydrophobicContact CE-CG2 4.44Å; M128-V131 WeakPolarHBondContact O-CB 3.37Å; M128-V131 PolarHBondContact O-N 3.12Å; M128-V131 HydrophobicContact SD-CG2 4.13Å; M128-L132 PolarHBondContact O-N 3.12Å; M128-L132 VanDerWaalsContact O-N 3.14Å
129A96Very high96.6Very high14 Ų1425 Ų2512%0.11613%0.133CC..Hα-helixtrans-67.4-40.4174.800000111.3R21 Y22 N127 V131 L132 A133R21-A129 HydrophobicContact CB-CB 4Å; Y22-A129 HydrophobicContact CD2-CB 4.42Å; N127-A129 PolarHBondContact O-N 3.1Å; N127-A129 PolarHBondContact OD1-N 3.04Å; A129-V131 VanDerWaalsContact C-N 3.31Å; A129-V131 PolarHBondContact O-N 3.21Å; A129-L132 PolarHBondContact O-N 3.31Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 3.13Å
130Q96Very high96.6Very high51 Ų5124 Ų2424%0.23813%0.127CC..Hα-helixtrans-65.5-35.3173.7-173.169.7-4.700111.6L116 F117 N127 L132 A133 T134L116-Q130 PolarHBondContact O-NE2 2.88Å; F117-Q130 HydrophobicContact CB-CB 4.18Å; F117-Q130 HydrophobicContact CB-CG 3.64Å; N127-Q130 HydrophobicContact CB-CB 4.38Å; N127-Q130 WeakPolarHBondContact ND2-CB 3.5Å; N127-Q130 PolarHBondContact O-N 3.44Å; N127-Q130 VanDerWaalsContact O-N 3.13Å; N127-Q130 PolarHBondContact OD1-N 3.41Å; Q130-L132 PolarHBondContact O-N 3.43Å; Q130-A133 PolarHBondContact O-N 2.93Å; Q130-T134 PolarHBondContact O-N 2.84Å; Q130-T134 PolarHBondContact O-OG1 2.89Å
131V98.1Very high96.7Very high1 Ų122.6 Ų22.61%0.00612%0.118CC..Hα-helixtrans-60-47.1174.7-178.60000111.1F117 D121 L122 N127 M128 A129 T134 L135F117-V131 HydrophobicContact CB-CG2 4.19Å; F117-V131 HydrophobicContact CD1-CB 4.24Å; F117-V131 HydrophobicContact CD1-CG1 4.21Å; F117-V131 HydrophobicContact CD1-CG2 4.14Å; F117-V131 HydrophobicContact CD2-CG2 3.98Å; F117-V131 HydrophobicContact CE1-CG1 4.05Å; F117-V131 HydrophobicContact CE2-CG2 4.41Å; F117-V131 HydrophobicContact CG-CB 4.43Å; F117-V131 HydrophobicContact CG-CG2 3.87Å; F117-V131 HydrophobicContact CZ-CG1 4.46Å; D121-V131 HydrophobicContact CB-CG2 4.29Å; L122-V131 HydrophobicContact CB-CG2 3.84Å; L122-V131 HydrophobicContact CD1-CG1 4.35Å; N127-V131 PolarHBondContact O-N 2.89Å; M128-V131 HydrophobicContact CE-CB 4.34Å; M128-V131 HydrophobicContact CE-CG1 4.39Å; M128-V131 HydrophobicContact CE-CG2 4.44Å; M128-V131 WeakPolarHBondContact O-CB 3.37Å; M128-V131 PolarHBondContact O-N 3.12Å; M128-V131 HydrophobicContact SD-CG2 4.13Å; A129-V131 VanDerWaalsContact C-N 3.31Å; A129-V131 PolarHBondContact O-N 3.21Å; V131-T134 PolarHBondContact O-N 3.46Å; V131-L135 HydrophobicContact CG1-CD1 4.11Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 3.48Å; V131-L135 VanDerWaalsContact O-N 3.13Å
132L97.9Very high96.8Very high5 Ų521.8 Ų21.83%0.02611%0.114CC..Hα-helixtrans-62.3-44174.6-68.5-176.5000111.7Y22 A26 E27 V30 M31 M128 A129 Q130 T134 L135 L136Y22-L132 HydrophobicContact CD2-CD1 3.94Å; Y22-L132 HydrophobicContact CE1-CD1 4.21Å; Y22-L132 HydrophobicContact CE2-CD1 3.39Å; Y22-L132 HydrophobicContact CE2-CG 3.88Å; A26-L132 HydrophobicContact CB-CD1 4.42Å; E27-L132 HydrophobicContact CB-CD1 3.97Å; E27-L132 HydrophobicContact CB-CD2 4.49Å; V30-L132 HydrophobicContact CB-CD2 4.28Å; V30-L132 HydrophobicContact CG1-CD2 4.49Å; V30-L132 HydrophobicContact CG2-CD2 4.42Å; M31-L132 HydrophobicContact CE-CD2 4.25Å; M128-L132 PolarHBondContact O-N 3.12Å; M128-L132 VanDerWaalsContact O-N 3.14Å; A129-L132 PolarHBondContact O-N 3.31Å; Q130-L132 PolarHBondContact O-N 3.43Å; L132-T134 VanDerWaalsContact C-N 3.35Å; L132-T134 PolarHBondContact O-N 2.89Å; L132-L135 PolarHBondContact O-N 2.7Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.49Å
133A96.9Very high96.7Very high41 Ų4124.3 Ų24.334%0.33913%0.126SC..Hα-helixtrans-60-42.7178.700000112.2A129 Q130 L136 Q137A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 3.13Å; Q130-A133 PolarHBondContact O-N 2.93Å; A133-L136 PolarHBondContact O-N 3.48Å; A133-Q137 WeakPolarHBondContact O-CB 3.47Å; A133-Q137 PolarHBondContact O-N 3.47Å
134T98.6Very high96.5Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-62.1-42.9174.9-55.70000112C115 L116 F117 Q130 V131 L132 Q137 L138C115-T134 WeakPolarHBondContact O-CB 3.34Å; C115-T134 PolarHBondContact O-OG1 3.11Å; L116-T134 HydrophobicContact CD2-CG2 3.81Å; F117-T134 HydrophobicContact CD1-CG2 3.89Å; F117-T134 WeakPolarHBondContact CD1-OG1 3.46Å; F117-T134 HydrophobicContact CE1-CG2 4.34Å; F117-T134 PolarHBondContact N-OG1 3.24Å; Q130-T134 PolarHBondContact O-N 2.84Å; Q130-T134 PolarHBondContact O-OG1 2.89Å; V131-T134 PolarHBondContact O-N 3.46Å; L132-T134 VanDerWaalsContact C-N 3.35Å; L132-T134 PolarHBondContact O-N 2.89Å; T134-Q137 PolarHBondContact O-N 3.39Å; T134-L138 PolarHBondContact O-N 3.11Å
135L98.6Very high96.5Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-68.7-38.3-179.8-69.1165.4000112V30 I34 L53 L59 L62 F102 V131 L132 L138 G139V30-L135 HydrophobicContact CG1-CB 3.45Å; V30-L135 VanDerWaalsContact CG1-CB 3.45Å; V30-L135 HydrophobicContact CG1-CD1 3.58Å; V30-L135 HydrophobicContact CG1-CG 4.07Å; V30-L135 HydrophobicContact CG2-CB 4.28Å; I34-L135 HydrophobicContact CD1-CD1 4.21Å; I34-L135 HydrophobicContact CD1-CD2 4.47Å; L53-L135 HydrophobicContact CD1-CD1 4.39Å; L59-L135 HydrophobicContact CD2-CD2 4.01Å; L62-L135 HydrophobicContact CD2-CD2 3.65Å; F102-L135 HydrophobicContact CE1-CD2 4.31Å; F102-L135 HydrophobicContact CZ-CD2 3.71Å; V131-L135 HydrophobicContact CG1-CD1 4.11Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 3.48Å; V131-L135 VanDerWaalsContact O-N 3.13Å; L132-L135 PolarHBondContact O-N 2.7Å; L135-L138 PolarHBondContact O-N 2.66Å; L135-G139 PolarHBondContact O-N 3.23Å
136L98.4Very high96.5Very high30 Ų3026.1 Ų26.116%0.15714%0.14CC..Hα-helixtrans-62.3-44.1170.2-71.1171.5000111.1A26 V30 L132 A133 L138 G139 T140 G153A26-L136 HydrophobicContact CB-CD1 3.91Å; V30-L136 HydrophobicContact CG2-CD2 3.52Å; V30-L136 HydrophobicContact CG2-CG 3.62Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.49Å; A133-L136 PolarHBondContact O-N 3.48Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.14Å; L136-G139 CarbonylContact O-C 3.3Å; L136-G139 WeakPolarHBondContact O-CA 3.43Å; L136-G139 PolarHBondContact O-N 2.94Å; L136-G139 VanDerWaalsContact O-N 3.1Å; L136-T140 PolarHBondContact O-N 2.86Å; L136-T140 PolarHBondContact O-OG1 3.26Å; L136-G153 WeakPolarHBondContact O-CA 3.39Å
137Q98.2Very high96.7Very high43 Ų4322.4 Ų22.420%0.20113%0.127CC..Hα-helixtrans-63.6-39.5177.6-171.763.33300111.6V111 C115 A133 T134 G139 T140 E141V111-Q137 HydrophobicContact CG1-CB 4.33Å; V111-Q137 HydrophobicContact CG1-CG 3.93Å; C115-Q137 HydrophobicContact CB-CB 4.19Å; C115-Q137 HydrophobicContact CB-CG 3.83Å; A133-Q137 WeakPolarHBondContact O-CB 3.47Å; A133-Q137 PolarHBondContact O-N 3.47Å; T134-Q137 PolarHBondContact O-N 3.39Å; Q137-G139 VanDerWaalsContact C-N 3.29Å; Q137-G139 PolarHBondContact O-N 3.44Å; Q137-T140 WeakPolarHBondContact O-CB 3.46Å; Q137-T140 PolarHBondContact O-N 3.26Å; Q137-T140 VanDerWaalsContact O-N 3.12Å; Q137-E141 PolarHBondContact NE2-OE1 2.9Å; Q137-E141 WeakPolarHBondContact O-CG 3.43Å; Q137-E141 PolarHBondContact O-N 3.49Å
138L98.5Very high96.8Very high0 Ų027.7 Ų27.70%015%0.151CC..Hα-helixtrans-58.2-43.5171.6179.263.3000110.9W33 L62 I63 F102 Y109 V111 T134 L135 L136 T140 E141 C142W33-L138 HydrophobicContact CH2-CD2 4.18Å; W33-L138 HydrophobicContact CH2-CG 4.14Å; W33-L138 HydrophobicContact CZ3-CD2 4.39Å; L62-L138 HydrophobicContact CD2-CD2 4.37Å; I63-L138 HydrophobicContact CD1-CD1 3.99Å; I63-L138 HydrophobicContact CD1-CD2 4.15Å; F102-L138 HydrophobicContact CE2-CD2 3.82Å; F102-L138 HydrophobicContact CZ-CD2 3.88Å; Y109-L138 HydrophobicContact CD1-CD1 3.87Å; Y109-L138 HydrophobicContact CE1-CD1 4.45Å; V111-L138 HydrophobicContact CG2-CB 3.95Å; V111-L138 HydrophobicContact CG2-CD1 3.71Å; V111-L138 HydrophobicContact CG2-CG 4.46Å; T134-L138 PolarHBondContact O-N 3.11Å; L135-L138 PolarHBondContact O-N 2.66Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.14Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.37Å; L138-E141 PolarHBondContact O-N 3.08Å; L138-C142 PolarHBondContact O-N 3.39Å; L138-C142 PolarHBondContact O-SG 2.92Å
139G98.1Very high96.7Very high1 Ų129.4 Ų29.41%0.0117%0.168CC..Hα-helixtrans-59.3-40.3172.700000113.4L135 L136 Q137 C142 Q143 C152L135-G139 PolarHBondContact O-N 3.23Å; L136-G139 CarbonylContact O-C 3.3Å; L136-G139 WeakPolarHBondContact O-CA 3.43Å; L136-G139 PolarHBondContact O-N 2.94Å; L136-G139 VanDerWaalsContact O-N 3.1Å; Q137-G139 VanDerWaalsContact C-N 3.29Å; Q137-G139 PolarHBondContact O-N 3.44Å; G139-C142 WeakPolarHBondContact O-CB 3.39Å; G139-C142 PolarHBondContact O-N 3.45Å; G139-Q143 PolarHBondContact O-N 2.89Å; G139-C152 CarbonylContact C-O 3.58Å; G139-C152 WeakPolarHBondContact CA-O 3.49Å
140T97.8Very high96.7Very high5 Ų530.2 Ų30.23%0.03117%0.172CC..Hα-helixtrans-62.2-47172.3-61.80000111.5L136 Q137 L138 C142 Q143 R144 C152 P154 P156L136-T140 PolarHBondContact O-N 2.86Å; L136-T140 PolarHBondContact O-OG1 3.26Å; Q137-T140 WeakPolarHBondContact O-CB 3.46Å; Q137-T140 PolarHBondContact O-N 3.26Å; Q137-T140 VanDerWaalsContact O-N 3.12Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.37Å; T140-C142 VanDerWaalsContact C-N 3.27Å; T140-C142 PolarHBondContact O-N 3.16Å; T140-Q143 WeakPolarHBondContact O-CB 3.2Å; T140-Q143 PolarHBondContact O-N 3.11Å; T140-Q143 VanDerWaalsContact O-N 3.11Å; T140-R144 PolarHBondContact O-N 3.35Å; T140-R144 VanDerWaalsContact O-N 3.16Å; T140-C152 PolarHBondContact N-O 2.81Å; T140-P154 WeakPolarHBondContact CB-O 3.5Å; T140-P154 WeakPolarHBondContact CG2-O 3.43Å; T140-P154 WeakPolarHBondContact OG1-CD 3.43Å; T140-P154 WeakPolarHBondContact OG1-CG 3.36Å; T140-P154 PolarHBondContact OG1-O 2.69Å; T140-P156 HydrophobicContact CG2-CB 4.19Å; T140-P156 HydrophobicContact CG2-CG 3.85Å; T140-P156 VanDerWaalsContact O-CG 3.27Å; T140-P156 WeakPolarHBondContact O-CG 3.4Å
141E97Very high96.7Very high8 Ų832.5 Ų32.54%0.03719%0.189CC..Hα-helixtrans-64.2-32.4177-62.6-49.3135.800112.6Y109 V111 Q137 L138 Q143 R144 N145Y109-E141 HydrophobicContact CD1-CB 4.1Å; Y109-E141 HydrophobicContact CE1-CB 4.19Å; V111-E141 HydrophobicContact CB-CG 4.46Å; V111-E141 HydrophobicContact CG2-CB 4.37Å; V111-E141 HydrophobicContact CG2-CG 3.89Å; Q137-E141 PolarHBondContact NE2-OE1 2.9Å; Q137-E141 WeakPolarHBondContact O-CG 3.43Å; Q137-E141 PolarHBondContact O-N 3.49Å; L138-E141 PolarHBondContact O-N 3.08Å; E141-Q143 VanDerWaalsContact C-N 3.31Å; E141-Q143 PolarHBondContact O-N 3.32Å; E141-R144 WeakPolarHBondContact O-CB 3.33Å; E141-R144 PolarHBondContact O-N 3.22Å; E141-R144 VanDerWaalsContact O-N 3.11Å; E141-R144 IonicContact OE1-CZ 3.91Å; E141-R144 IonicContact OE1-NH1 3.53Å; E141-R144 PolarHBondContact OE1-NH1 2.94Å; E141-R144 IonicContact OE2-CZ 3.76Å; E141-R144 IonicContact OE2-NH1 3.21Å; E141-R144 PolarHBondContact OE2-NH1 3.42Å; E141-N145 WeakPolarHBondContact O-CB 3.37Å; E141-N145 PolarHBondContact O-N 3.32Å; E141-N145 PolarHBondContact O-ND2 3.35Å
142C97.8Very high96.6Very high2 Ų232.5 Ų32.51%0.01419%0.189CC..Hα-helixtrans-58.5-44.6172.5-68.90000111V66 Y109 L138 G139 T140 R144 N145 G146 F147V66-C142 WeakPolarHBondContact CG1-SG 3.12Å; Y109-C142 HydrophobicContact CE1-CB 4.42Å; L138-C142 PolarHBondContact O-N 3.39Å; L138-C142 PolarHBondContact O-SG 2.92Å; G139-C142 WeakPolarHBondContact O-CB 3.39Å; G139-C142 PolarHBondContact O-N 3.45Å; T140-C142 VanDerWaalsContact C-N 3.27Å; T140-C142 PolarHBondContact O-N 3.16Å; C142-R144 VanDerWaalsContact C-N 3.28Å; C142-R144 PolarHBondContact O-N 3.46Å; C142-N145 PolarHBondContact O-N 3.39Å; C142-G146 PolarHBondContact O-N 2.66Å; C142-F147 HydrophobicContact CB-CB 3.6Å; C142-F147 HydrophobicContact CB-CD1 3.84Å; C142-F147 HydrophobicContact CB-CG 3.78Å; C142-F147 WeakPolarHBondContact O-CB 3.27Å; C142-F147 PolarHBondContact O-N 2.68Å
143Q96Very high96.4Very high53 Ų5332.9 Ų32.925%0.24819%0.194CC..Hα-helixtrans-62.9-35.2176-64.7172.766.900112.2G139 T140 E141 V151 C152 G153 P154 P156G139-Q143 PolarHBondContact O-N 2.89Å; T140-Q143 WeakPolarHBondContact O-CB 3.2Å; T140-Q143 PolarHBondContact O-N 3.11Å; T140-Q143 VanDerWaalsContact O-N 3.11Å; E141-Q143 VanDerWaalsContact C-N 3.31Å; E141-Q143 PolarHBondContact O-N 3.32Å; Q143-V151 VanDerWaalsContact CD-CG1 3.5Å; Q143-V151 HydrophobicContact CG-CG1 3.98Å; Q143-C152 PolarHBondContact NE2-O 3.5Å; Q143-G153 PolarHBondContact NE2-O 2.75Å; Q143-P154 PolarHBondContact NE2-O 3.26Å; Q143-P156 HydrophobicContact CB-CG 3.69Å
144R94.2Very high96.3Very high84 Ų8434.8 Ų34.832%0.31720%0.203SC..Hα-helixtrans-70.9-36.9178-175.5174.4-72.7127.6-3.9112.4T140 E141 C142 P156 T157 Y158T140-R144 PolarHBondContact O-N 3.35Å; T140-R144 VanDerWaalsContact O-N 3.16Å; E141-R144 WeakPolarHBondContact O-CB 3.33Å; E141-R144 PolarHBondContact O-N 3.22Å; E141-R144 VanDerWaalsContact O-N 3.11Å; E141-R144 IonicContact OE1-CZ 3.91Å; E141-R144 IonicContact OE1-NH1 3.53Å; E141-R144 PolarHBondContact OE1-NH1 2.94Å; E141-R144 IonicContact OE2-CZ 3.76Å; E141-R144 IonicContact OE2-NH1 3.21Å; E141-R144 PolarHBondContact OE2-NH1 3.42Å; C142-R144 VanDerWaalsContact C-N 3.28Å; C142-R144 PolarHBondContact O-N 3.46Å; R144-P156 HydrophobicContact CB-CB 4.28Å; R144-P156 HydrophobicContact CB-CG 4.07Å; R144-T157 PolarHBondContact NH2-O 3.05Å; R144-Y158 HydrophobicContact CG-CE1 4.21Å
145N94.7Very high96.1Very high39 Ų3943.2 Ų43.221%0.20924%0.24CC..THydrogen-bonded Turntrans-90.99.4-175.1-67.8-29.6000114.3T70 P74 Y109 E141 C142T70-N145 HydrophobicContact CG2-CB 4.1Å; T70-N145 WeakPolarHBondContact CG2-O 3.49Å; P74-N145 WeakPolarHBondContact CG-ND2 3.46Å; Y109-N145 HydrophobicContact CE1-CB 4.32Å; Y109-N145 WeakPolarHBondContact CE1-ND2 3.43Å; Y109-N145 PolarHBondContact O-ND2 2.97Å; E141-N145 WeakPolarHBondContact O-CB 3.37Å; E141-N145 PolarHBondContact O-N 3.32Å; E141-N145 PolarHBondContact O-ND2 3.35Å; C142-N145 PolarHBondContact O-N 3.39Å
146G92.4Very high95.8Very high47 Ų4744.2 Ų44.249%0.48525%0.246SC..THydrogen-bonded Turntrans70.231.6177.500000113.9C142 Q148C142-G146 PolarHBondContact O-N 2.66Å; G146-Q148 PolarHBondContact O-N 3.11Å
147F96Very high95.3Very high24 Ų2448.6 Ų48.611%0.10527%0.274CS..  trans-56.4133.2173.7172.3-107.8000112.1L37 V66 R69 C142 G149L37-F147 HydrophobicContact CD1-CE1 4.48Å; L37-F147 HydrophobicContact CD1-CZ 3.89Å; L37-F147 HydrophobicContact CD2-CE1 4.29Å; L37-F147 HydrophobicContact CD2-CZ 3.64Å; L37-F147 HydrophobicContact CG-CZ 4.45Å; V66-F147 HydrophobicContact CB-CE2 4.43Å; V66-F147 HydrophobicContact CG1-CD2 4.49Å; V66-F147 HydrophobicContact CG2-CE2 4.36Å; R69-F147 HydrophobicContact CB-CD2 3.94Å; R69-F147 HydrophobicContact CB-CE2 3.56Å; R69-F147 HydrophobicContact CB-CZ 4.38Å; R69-F147 HydrophobicContact CG-CE2 4.32Å; C142-F147 HydrophobicContact CB-CB 3.6Å; C142-F147 HydrophobicContact CB-CD1 3.84Å; C142-F147 HydrophobicContact CB-CG 3.78Å; C142-F147 WeakPolarHBondContact O-CB 3.27Å; C142-F147 PolarHBondContact O-N 2.68Å; F147-G149 VanDerWaalsContact CE1-CA 3.46Å; F147-G149 PolarHBondContact O-N 3.4Å
148Q95.4Very high94.7Very high134 Ų13454 Ų5463%0.62629%0.294SS*.  trans-96.285.4178.5-61.4-177.611.900110.7R69 P71 G146R69-Q148 HydrophobicContact CB-CB 4.48Å; R69-Q148 WeakPolarHBondContact CB-O 3.23Å; R69-Q148 WeakPolarHBondContact CD-O 3.35Å; R69-Q148 WeakPolarHBondContact O-CB 3.5Å; R69-Q148 PolarHBondContact O-N 3.03Å; P71-Q148 HydrophobicContact CG-CG 4.24Å; G146-Q148 PolarHBondContact O-N 3.11Å
149G94.3Very high94.1Very high35 Ų3559.6 Ų59.636%0.36133%0.333SS..SBendtrans-178.5-169.3178.800000113.1F147F147-G149 VanDerWaalsContact CE1-CA 3.46Å; F147-G149 PolarHBondContact O-N 3.4Å
150P96.3Very high93.3Very high32 Ų3267.1 Ų67.121%0.20837%0.368CS..  trans-61146.117726.4-36.9000112.1W33 Q36 L37W33-P150 PolarHBondContact NE1-O 2.72Å; Q36-P150 HydrophobicContact CB-CG 3.93Å; Q36-P150 VanDerWaalsContact OE1-CB 3.22Å; L37-P150 HydrophobicContact CD2-CG 3.67Å; L37-P150 HydrophobicContact CG-CG 4.21Å
151V95.8Very high92.6Very high99 Ų9972 Ų7260%0.640%0.4SS*.  trans-87.8135.1-179.2178.70000110.3Q143Q143-V151 VanDerWaalsContact CD-CG1 3.5Å; Q143-V151 HydrophobicContact CG-CG1 3.98Å
152C95.6Very high92Very high1 Ų180.4 Ų80.41%0.00743%0.431CS..  trans-139155.1172.4-169.80000109.6W33 G139 T140 Q143W33-C152 HydrophobicContact CB-CB 3.84Å; W33-C152 HydrophobicContact CD2-CB 3.5Å; W33-C152 VanDerWaalsContact CD2-CB 3.5Å; W33-C152 HydrophobicContact CE3-CB 4.09Å; W33-C152 HydrophobicContact CG-CB 3.37Å; G139-C152 CarbonylContact C-O 3.58Å; G139-C152 WeakPolarHBondContact CA-O 3.49Å; T140-C152 PolarHBondContact N-O 2.81Å; Q143-C152 PolarHBondContact NE2-O 3.5Å
153G94.2Very high91.3Very high12 Ų1289.1 Ų89.112%0.12447%0.472CS..SBendtrans77.4170.4179.900000114.5L136 Q143L136-G153 WeakPolarHBondContact O-CA 3.39Å; Q143-G153 PolarHBondContact NE2-O 2.75Å
154P94.5Very high90.8Very high81 Ų8194.3 Ų94.353%0.52649%0.489SS..SBendtrans-63.5156.8175.826.8-33.9000111.7T140 Q143T140-P154 WeakPolarHBondContact CB-O 3.5Å; T140-P154 WeakPolarHBondContact CG2-O 3.43Å; T140-P154 WeakPolarHBondContact OG1-CD 3.43Å; T140-P154 WeakPolarHBondContact OG1-CG 3.36Å; T140-P154 PolarHBondContact OG1-O 2.69Å; Q143-P154 PolarHBondContact NE2-O 3.26Å
155K94.6Very high90.6Very high178 Ų17894 Ų9477%0.77450%0.497SS*.PPolyproline II helixtrans-64.7137.2175.2-70.9-176.6178.71800110.3T157K155-T157 PolarHBondContact O-N 3.4Å
156P91.9Very high90.1Very high20 Ų2098.8 Ų98.813%0.1352%0.518CS..PPolyproline II helixtrans-56.2133.5174.6-25.533.4000111.8T140 Q143 R144 Y158T140-P156 HydrophobicContact CG2-CB 4.19Å; T140-P156 HydrophobicContact CG2-CG 3.85Å; T140-P156 VanDerWaalsContact O-CG 3.27Å; T140-P156 WeakPolarHBondContact O-CG 3.4Å; Q143-P156 HydrophobicContact CB-CG 3.69Å; R144-P156 HydrophobicContact CB-CB 4.28Å; R144-P156 HydrophobicContact CB-CG 4.07Å; P156-Y158 HydrophobicContact CB-CE2 4.14Å
157T88.8Confident89.8Confident122 Ų122103.6 Ų103.675%0.74853%0.528SS*.PPolyproline II helixtrans-91.8144.5167.454.70000109.8R144 K155R144-T157 PolarHBondContact NH2-O 3.05Å; K155-T157 PolarHBondContact O-N 3.4Å
158Y85.9Confident89.2Confident156 Ų156109.6 Ų109.661%0.61255%0.554SS**  trans-119134.5176.2-58.6-83.3000109R144 P156 Q160R144-Y158 HydrophobicContact CG-CE1 4.21Å; P156-Y158 HydrophobicContact CB-CE2 4.14Å; Y158-Q160 PolarHBondContact O-N 3.18Å
159S84.2Confident88.7Confident119 Ų119107.5 Ų107.583%0.83255%0.547SS*.  trans-67115.2171.857.20000108.9P161S159-P161 VanDerWaalsContact O-CD 3.24Å; S159-P161 WeakPolarHBondContact O-CD 3.24Å
160Q82.6Confident88.2Confident159 Ų159113.1 Ų113.174%0.74356%0.557SS**  trans-104.992.7171.7-170.8-176.22400108.1Y158 R162Y158-Q160 PolarHBondContact O-N 3.18Å; Q160-R162 PolarHBondContact O-N 3.29Å
161P83.3Confident87.4Confident106 Ų106114.8 Ų114.869%0.68857%0.574SS**  trans-61.3116172.726.1-32.2000107.9S159 Q163S159-P161 VanDerWaalsContact O-CD 3.24Å; S159-P161 WeakPolarHBondContact O-CD 3.24Å; P161-Q163 PolarHBondContact O-N 3.06Å
162R83.3Confident86.5Confident186 Ų186112 Ų11270%0.70257%0.565SS**  trans-78.2111.8178.1-66.1-178.3-179-173.2-0.2107.5Q160 W164Q160-R162 PolarHBondContact O-N 3.29Å; R162-W164 HydrophobicContact CB-CZ2 4.11Å
163Q83.8Confident85.6Confident184 Ų184119.1 Ų119.186%0.8660%0.598SS**PPolyproline II helixtrans-86.4118.1168-65.9-176.22.100107.9P161P161-Q163 PolarHBondContact O-N 3.06Å
164W86Confident84.5Confident162 Ų162121.8 Ų121.861%0.61463%0.625SS**PPolyproline II helixtrans-90.7141.1171.3-59.4-72.5000108.8R162 L169R162-W164 HydrophobicContact CB-CZ2 4.11Å; W164-L169 HydrophobicContact CB-CD2 3.92Å; W164-L169 HydrophobicContact CB-CG 4.01Å; W164-L169 HydrophobicContact CD2-CD2 4.47Å; W164-L169 HydrophobicContact CE3-CD2 4.14Å; W164-L169 HydrophobicContact CG-CD2 4.42Å
165T88.2Confident83.4Confident79 Ų79124.1 Ų124.149%0.48563%0.632SS.*PPolyproline II helixtrans-65.3147.2171.352.10000109.5E167 K168 L169T165-E167 PolarHBondContact O-N 3.42Å; T165-K168 WeakPolarHBondContact O-CA 3.39Å; T165-K168 WeakPolarHBondContact O-CB 3.35Å; T165-K168 PolarHBondContact O-N 3.43Å; T165-K168 WeakPolarHBondContact OG1-CG 3.47Å; T165-L169 PolarHBondContact O-N 3.07Å
166E85.4Confident82.1Confident138 Ų138121.5 Ų121.565%0.64563%0.626SS**Hα-helixtrans-54.7-39178.1-168.858.5-149.200111.6K168 L169 R170E166-K168 VanDerWaalsContact C-N 3.31Å; E166-K168 PolarHBondContact O-N 3.18Å; E166-L169 PolarHBondContact O-N 3.21Å; E166-R170 VanDerWaalsContact O-CB 3.31Å; E166-R170 WeakPolarHBondContact O-CB 3.34Å; E166-R170 PolarHBondContact O-N 2.91Å
167E85.6Confident81Confident148 Ų148122.6 Ų122.669%0.69264%0.64SS**Hα-helixtrans-58.3-39.7174.3-172.8-176.6-171.700113T165 R170 A171T165-E167 PolarHBondContact O-N 3.42Å; E167-R170 PolarHBondContact O-N 3.33Å; E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 2.87Å
168K83.9Confident80.1Confident150 Ų150123.1 Ų123.165%0.65264%0.638SS**Hα-helixtrans-71.3-36.2177-80.1-179.8179.81790112.2T165 E166T165-K168 WeakPolarHBondContact O-CA 3.39Å; T165-K168 WeakPolarHBondContact O-CB 3.35Å; T165-K168 PolarHBondContact O-N 3.43Å; T165-K168 WeakPolarHBondContact OG1-CG 3.47Å; E166-K168 VanDerWaalsContact C-N 3.31Å; E166-K168 PolarHBondContact O-N 3.18Å
169L83.8Confident79.1Confident91 Ų91125 Ų12548%0.47665%0.652SS.*Hα-helixtrans-63.8-45.6173.1-66.4174.6000110W164 T165 E166 A171 G172W164-L169 HydrophobicContact CB-CD2 3.92Å; W164-L169 HydrophobicContact CB-CG 4.01Å; W164-L169 HydrophobicContact CD2-CD2 4.47Å; W164-L169 HydrophobicContact CE3-CD2 4.14Å; W164-L169 HydrophobicContact CG-CD2 4.42Å; T165-L169 PolarHBondContact O-N 3.07Å; E166-L169 PolarHBondContact O-N 3.21Å; L169-A171 VanDerWaalsContact C-N 3.35Å; L169-A171 PolarHBondContact O-N 3Å; L169-G172 PolarHBondContact O-N 3.34Å
170R83.8Confident78.2Confident152 Ų152123.1 Ų123.157%0.57464%0.644SS**Hα-helixtrans-70.7-24.8-179.5-155.7-178.861.3169.3-2.9114.1E166 E167 G172 E173E166-R170 VanDerWaalsContact O-CB 3.31Å; E166-R170 WeakPolarHBondContact O-CB 3.34Å; E166-R170 PolarHBondContact O-N 2.91Å; E167-R170 PolarHBondContact O-N 3.33Å; R170-G172 PolarHBondContact O-N 3.23Å; R170-E173 HydrophobicContact CG-CG 4.24Å; R170-E173 WeakPolarHBondContact CG-OE2 3.15Å; R170-E173 WeakPolarHBondContact O-CB 3.47Å; R170-E173 PolarHBondContact O-N 3.37Å
171A80.5Confident76.9Confident68 Ų68117.9 Ų117.956%0.56263%0.633SS**THydrogen-bonded Turntrans-57.3-23.2176.600000113E167 L169E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 2.87Å; L169-A171 VanDerWaalsContact C-N 3.35Å; L169-A171 PolarHBondContact O-N 3Å
172G76.5Confident75.7Confident41 Ų41115.1 Ų115.142%0.42361%0.614SS.*THydrogen-bonded Turntrans-72.7-25.817300000114.6L169 R170 G174 I175L169-G172 PolarHBondContact O-N 3.34Å; R170-G172 PolarHBondContact O-N 3.23Å; G172-G174 VanDerWaalsContact C-N 3.29Å; G172-G174 PolarHBondContact O-N 3.09Å; G172-I175 WeakPolarHBondContact O-CB 3.31Å; G172-I175 PolarHBondContact O-N 3.37Å; G172-I175 VanDerWaalsContact O-N 3.09Å
173E76.7Confident74.6Confident149 Ų149112.9 Ų112.970%0.69662%0.616SS**THydrogen-bonded Turntrans-68.4-29.5-176.1-63179.7175.700112.5R170 I175R170-E173 HydrophobicContact CG-CG 4.24Å; R170-E173 WeakPolarHBondContact CG-OE2 3.15Å; R170-E173 WeakPolarHBondContact O-CB 3.47Å; R170-E173 PolarHBondContact O-N 3.37Å; E173-I175 PolarHBondContact O-N 3.05Å
174G70.9Confident73.5Confident68 Ų68112.8 Ų112.870%0.70161%0.613SS**THydrogen-bonded Turntrans-74.9-7.9174.700000114.2G172 I176G172-G174 VanDerWaalsContact C-N 3.29Å; G172-G174 PolarHBondContact O-N 3.09Å; G174-I176 PolarHBondContact O-N 2.9Å
175I70.9Confident72.3Confident131 Ų131112 Ų11267%0.67262%0.62SS**  trans-86.989.1-179.1-53.8179.5000108.8G172 E173 G177G172-I175 WeakPolarHBondContact O-CB 3.31Å; G172-I175 PolarHBondContact O-N 3.37Å; G172-I175 VanDerWaalsContact O-N 3.09Å; E173-I175 PolarHBondContact O-N 3.05Å; I175-G177 PolarHBondContact O-N 3.05Å
176I68.3Low70.9Confident123 Ų123112.1 Ų112.163%0.63163%0.629SS**  trans-69.8115170.8-58.3177000108.2G174 A180G174-I176 PolarHBondContact O-N 2.9Å; I176-A180 HydrophobicContact CG2-CB 3.56Å
177G67.9Low69.5Low43 Ų43109.6 Ų109.644%0.44363%0.627SS.*  trans-57.9147.417700000111.8I175 Q179 A180I175-G177 PolarHBondContact O-N 3.05Å; G177-Q179 PolarHBondContact O-N 3.44Å; G177-A180 PolarHBondContact O-N 2.9Å
178L69.8Low68.3Low132 Ų132109.4 Ų109.469%0.69163%0.626SS**G310 helixtrans-54.5-28.8-176.4-157.279.1000113.1A180 G181 T182L178-A180 VanDerWaalsContact C-N 3.35Å; L178-G181 PolarHBondContact O-N 2.89Å; L178-T182 HydrophobicContact CD1-CG2 3.94Å
179Q65.6Low66.8Low195 Ų195111.4 Ų111.491%0.91163%0.634SS**G310 helixtrans-68.8-26.9177.5-67.2-69.2-81.500113.9G177 G181G177-Q179 PolarHBondContact O-N 3.44Å; Q179-G181 PolarHBondContact O-N 2.83Å
180A65.7Low65.4Low81 Ų81111 Ų11167%0.66965%0.652SS**G310 helixtrans-80.21.3177.500000112.9I176 G177 L178I176-A180 HydrophobicContact CG2-CB 3.56Å; G177-A180 PolarHBondContact O-N 2.9Å; L178-A180 VanDerWaalsContact C-N 3.35Å
181G56.1Low64Low49 Ų49108.5 Ų108.551%0.50565%0.648SS.*  trans90.4126.3-177.800000111.4L178 Q179L178-G181 PolarHBondContact O-N 2.89Å; Q179-G181 PolarHBondContact O-N 2.83Å
182T58Low62.8Low47 Ų47110.3 Ų110.329%0.28866%0.657SS.*  trans-105.1127.1175.8-175.40000110.5L178 K184 L185L178-T182 HydrophobicContact CD1-CG2 3.94Å; T182-K184 PolarHBondContact O-N 3.34Å; T182-K184 WeakPolarHBondContact OG1-CB 3.48Å; T182-K184 PolarHBondContact OG1-N 2.92Å; T182-L185 HydrophobicContact CG2-CB 4.23Å; T182-L185 HydrophobicContact CG2-CD1 3.75Å; T182-L185 HydrophobicContact CG2-CG 3.94Å
183N60Low62Low140 Ų140116.5 Ų116.575%0.74967%0.672SS**THydrogen-bonded Turntrans-77.2-6.6170.363.7-8.1000112.8L185N183-L185 VanDerWaalsContact C-N 3.34Å
184K59.2Low60.9Low182 Ų182112.5 Ų112.579%0.79167%0.671SS**THydrogen-bonded Turntrans-73.8-25-177.7-65.3-172177.8-179.60113.3T182T182-K184 PolarHBondContact O-N 3.34Å; T182-K184 WeakPolarHBondContact OG1-CB 3.48Å; T182-K184 PolarHBondContact OG1-N 2.92Å
185L62.4Low59.9Low144 Ų144113.4 Ų113.475%0.75467%0.672SS**THydrogen-bonded Turntrans-100.5-27.4-178.3-62.3173.1000112.7T182 N183 S187T182-L185 HydrophobicContact CG2-CB 4.23Å; T182-L185 HydrophobicContact CG2-CD1 3.75Å; T182-L185 HydrophobicContact CG2-CG 3.94Å; N183-L185 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.1Å; L185-S187 VanDerWaalsContact O-N 3.11Å
186A58Low58.7Low82 Ų82115.2 Ų115.268%0.67868%0.677SS**  trans-84.181.3175.800000110.2
187S55.3Low57.9Low86 Ų86118.3 Ų118.360%0.60168%0.681SS**  trans-84.7126170.7-168.10000110.1L185 K189L185-S187 PolarHBondContact O-N 3.1Å; L185-S187 VanDerWaalsContact O-N 3.11Å; S187-K189 PolarHBondContact O-N 2.75Å; S187-K189 WeakPolarHBondContact OG-CB 3.36Å; S187-K189 PolarHBondContact OG-N 2.8Å
188Q61.4Low56.9Low144 Ų144123.9 Ų123.967%0.67370%0.695SS**  trans-74.32.8172-145.517331.900112.6G190 M191Q188-G190 PolarHBondContact O-N 3.06Å; Q188-M191 HydrophobicContact CG-CB 4.08Å; Q188-M191 HydrophobicContact CG-CE 3.6Å; Q188-M191 HydrophobicContact CG-SD 3.95Å; Q188-M191 WeakPolarHBondContact O-CB 3.23Å; Q188-M191 PolarHBondContact O-N 3.26Å
189K52.8Low56Low191 Ų191124.7 Ų124.783%0.8370%0.699SS**THydrogen-bonded Turntrans-58.6125173.9-93.1-173.6170.1-178.80109.8S187S187-K189 PolarHBondContact O-N 2.75Å; S187-K189 WeakPolarHBondContact OG-CB 3.36Å; S187-K189 PolarHBondContact OG-N 2.8Å
190G53.6Low55Low82 Ų82119 Ų11985%0.84569%0.686SS**THydrogen-bonded Turntrans92.6-2.7178.900000114.8Q188 S192Q188-G190 PolarHBondContact O-N 3.06Å; G190-S192 PolarHBondContact O-N 3.25Å
191M55.2Low53.9Low100 Ų100122.3 Ų122.349%0.49369%0.692SS.*  trans-74.796.3175.7-153.4164.584.400110.2Q188 F193Q188-M191 HydrophobicContact CG-CB 4.08Å; Q188-M191 HydrophobicContact CG-CE 3.6Å; Q188-M191 HydrophobicContact CG-SD 3.95Å; Q188-M191 WeakPolarHBondContact O-CB 3.23Å; Q188-M191 PolarHBondContact O-N 3.26Å; M191-F193 HydrophobicContact CE-CD2 4.17Å; M191-F193 HydrophobicContact CE-CE1 4.22Å; M191-F193 HydrophobicContact CE-CE2 3.17Å; M191-F193 HydrophobicContact CE-CZ 3.22Å; M191-F193 PolarHBondContact O-N 2.99Å
192S55Low53.5Low106 Ų106127.1 Ų127.174%0.74170%0.704SS**  trans-84.7107.3174-173.10000109.4G190 G194G190-S192 PolarHBondContact O-N 3.25Å; S192-G194 PolarHBondContact O-N 2.97Å
193F59.6Low52.9Low172 Ų172133.8 Ų133.875%0.75472%0.724SS**  trans-76.6101171.6-80.3-85.8000109.7M191M191-F193 HydrophobicContact CE-CD2 4.17Å; M191-F193 HydrophobicContact CE-CE1 4.22Å; M191-F193 HydrophobicContact CE-CE2 3.17Å; M191-F193 HydrophobicContact CE-CZ 3.22Å; M191-F193 PolarHBondContact O-N 2.99Å
194G53.3Low52.4Low64 Ų64131.7 Ų131.766%0.6672%0.72SS**  trans71.4106.5165.700000114.1S192 Q196S192-G194 PolarHBondContact O-N 2.97Å; G194-Q196 PolarHBondContact O-N 3.33Å
195A49.3Very low52.1Low88 Ų88129.5 Ų129.573%0.72772%0.716SS**  trans-62.8136.1163.100000109.7R197A195-R197 PolarHBondContact O-N 3.16Å
196Q46.9Very low51.5Low169 Ų169129.6 Ų129.679%0.7972%0.717SS**  trans-56.6108.5171.5-176.7176-57.400108.9G194 H198G194-Q196 PolarHBondContact O-N 3.33Å; Q196-H198 PolarHBondContact NE2-NE2 3.19Å; Q196-H198 PolarHBondContact O-N 3.36Å
197R50.2Low51.2Low188 Ų188131.5 Ų131.571%0.70971%0.714SS**  trans-73.2111174-68.4-174.7172.5-151.3-3108A195 I199A195-R197 PolarHBondContact O-N 3.16Å; R197-I199 PolarHBondContact O-N 2.93Å
198H46.8Very low51.2Low159 Ų159130.9 Ų130.974%0.73671%0.707SS**  trans-69.199.6168.6-81.8-145.1000107.8Q196 A200Q196-H198 PolarHBondContact NE2-NE2 3.19Å; Q196-H198 PolarHBondContact O-N 3.36Å; H198-A200 PolarHBondContact O-N 3.46Å
199I50.8Low51.2Low149 Ų149129.4 Ų129.476%0.76471%0.709SS**  trans-75.283.2166.2-58167000104.6R197 D201R197-I199 PolarHBondContact O-N 2.93Å; I199-D201 PolarHBondContact O-N 3.31Å
200A45.2Very low51.2Low77 Ų77127.1 Ų127.164%0.63670%0.702SS**  trans-67.4129164.300000106.6H198 I202H198-A200 PolarHBondContact O-N 3.46Å; A200-I202 PolarHBondContact O-N 3.38Å
201D42.9Very low51.2Low149 Ų149125 Ų12580%0.79768%0.68SS**  trans-42.896.5-176.1-57.3-55.6000111.4I199 R203I199-D201 PolarHBondContact O-N 3.31Å; D201-R203 PolarHBondContact O-N 3.19Å
202I47.6Very low51.2Low151 Ų151123.4 Ų123.477%0.77468%0.683SS**  trans-69.191164.3-59.9176.8000103.7A200 C204A200-I202 PolarHBondContact O-N 3.38Å; I202-C204 PolarHBondContact O-N 3.02Å; I202-C204 VanDerWaalsContact O-N 3.15Å
203R45.2Very low51.2Low187 Ų187122.4 Ų122.471%0.70668%0.681SS**  trans-53.2120.8175.8-69.2-175-71.61720.5107.3D201 D205D201-R203 PolarHBondContact O-N 3.19Å; R203-D205 PolarHBondContact O-N 3.26Å; R203-D205 VanDerWaalsContact O-N 3.08Å
204C49.6Very low50.4Low96 Ų96119 Ų11965%0.64967%0.673SS**G310 helixtrans-68.6-5.5-172.765.70000113.6I202 D206 M207I202-C204 PolarHBondContact O-N 3.02Å; I202-C204 VanDerWaalsContact O-N 3.15Å; C204-D206 PolarHBondContact O-N 3.19Å; C204-M207 PolarHBondContact O-N 2.8Å
205D52.9Low50.1Low135 Ų135120.8 Ų120.872%0.72267%0.667SS**G310 helixtrans-68.9-17.8-172.1-54.5-25.9000112.9R203R203-D205 PolarHBondContact O-N 3.26Å; R203-D205 VanDerWaalsContact O-N 3.08Å
206D50.9Low50Low146 Ų146119.9 Ų119.978%0.78166%0.655SS**G310 helixtrans-101.28.6179.8-66.3-33.3000114C204 T208C204-D206 PolarHBondContact O-N 3.19Å; D206-T208 PolarHBondContact O-N 3.11Å
207M51.5Low49.9Very low123 Ų123118.2 Ų118.261%0.60665%0.651SS**  trans-81.8102.8179.6-165.3174-69.200110.6C204 A212C204-M207 PolarHBondContact O-N 2.8Å; M207-A212 HydrophobicContact SD-CB 4.05Å
208T55.7Low49.6Very low73 Ų73115.3 Ų115.345%0.44865%0.646SS.*  trans-63.4147.1169.5670000109.9D206 E210 G211 A212D206-T208 PolarHBondContact O-N 3.11Å; T208-E210 PolarHBondContact O-N 3.46Å; T208-E210 PolarHBondContact OG1-OE2 2.98Å; T208-G211 WeakPolarHBondContact O-CA 3.47Å; T208-G211 PolarHBondContact O-N 2.99Å; T208-G211 PolarHBondContact OG1-N 3.12Å; T208-A212 PolarHBondContact O-N 3.09Å
209P59.5Low49.6Very low112 Ų112114.5 Ų114.573%0.72764%0.644SS**Hα-helixtrans-53.7-28.9177.1-26.133.7000113.1
210E53.1Low49Very low144 Ų144109.9 Ų109.967%0.67363%0.633SS**Hα-helixtrans-69-35.4175.5-57.8116.4-17500112.7T208 A212 A213T208-E210 PolarHBondContact O-N 3.46Å; T208-E210 PolarHBondContact OG1-OE2 2.98Å; E210-A212 VanDerWaalsContact C-N 3.34Å; E210-A213 PolarHBondContact O-N 3.23Å
211G53.8Low48.9Very low37 Ų37107.9 Ų107.938%0.38161%0.613SS.*Hα-helixtrans-66.8-33.717700000112.9T208 A213 V214T208-G211 WeakPolarHBondContact O-CA 3.47Å; T208-G211 PolarHBondContact O-N 2.99Å; T208-G211 PolarHBondContact OG1-N 3.12Å; G211-A213 VanDerWaalsContact C-N 3.28Å; G211-A213 PolarHBondContact O-N 3.23Å; G211-V214 PolarHBondContact O-N 3.32Å
212A56.4Low49.1Very low67 Ų67107.1 Ų107.155%0.55461%0.609SS**Hα-helixtrans-65.1-29.3178.700000113.2M207 T208 E210 V214M207-A212 HydrophobicContact SD-CB 4.05Å; T208-A212 PolarHBondContact O-N 3.09Å; E210-A212 VanDerWaalsContact C-N 3.34Å; A212-V214 VanDerWaalsContact C-N 3.35Å
213A53.3Low49.2Very low85 Ų85107.6 Ų107.670%0.70261%0.605SS**THydrogen-bonded Turntrans-80.2-15.6177.900000113.3E210 G211 I215E210-A213 PolarHBondContact O-N 3.23Å; G211-A213 VanDerWaalsContact C-N 3.28Å; G211-A213 PolarHBondContact O-N 3.23Å; A213-I215 PolarHBondContact O-N 3.3Å
214V44.6Very low49.7Very low99 Ų99106.8 Ų106.860%0.661%0.607SS**  trans-98.787.9-176.9-1750000109.7G211 A212 S216G211-V214 PolarHBondContact O-N 3.32Å; A212-V214 VanDerWaalsContact C-N 3.35Å; V214-S216 PolarHBondContact O-N 3.11Å
215I46Very low49.8Very low103 Ų103106 Ų10653%0.52861%0.608SS.*  trans-61.2111.2165.4-59.3174.5000107.4A213 M219A213-I215 PolarHBondContact O-N 3.3Å; I215-M219 HydrophobicContact CG2-CB 3.65Å
216S47.3Very low49.5Very low68 Ų68103.8 Ų103.848%0.47660%0.603SS.*  trans-59.6149.5-177.466.70000111.1V214 Q218 M219V214-S216 PolarHBondContact O-N 3.11Å; S216-Q218 PolarHBondContact O-N 3.38Å; S216-M219 PolarHBondContact O-N 3.44Å
217L44.9Very low49.6Very low135 Ų135104.1 Ų104.171%0.70760%0.6SS**G310 helixtrans-52-25.6-178.8-108.7143000113.6M219 G220 T221L217-M219 VanDerWaalsContact C-N 3.26Å; L217-M219 PolarHBondContact O-N 3.34Å; L217-G220 PolarHBondContact O-N 3.38Å; L217-T221 HydrophobicContact CD2-CG2 3.65Å; L217-T221 HydrophobicContact CG-CG2 3.82Å
218Q43.3Very low49.1Very low127 Ų127107.6 Ų107.659%0.59361%0.612SS**G310 helixtrans-71.9-17.7178.2-161.1-113.6-112.700113.6S216S216-Q218 PolarHBondContact O-N 3.38Å
219M46.7Very low48.7Very low141 Ų141107.9 Ų107.970%0.69563%0.629SS**G310 helixtrans-1016.3179.2-67.6-77.4-80.700112.6I215 S216 L217I215-M219 HydrophobicContact CG2-CB 3.65Å; S216-M219 PolarHBondContact O-N 3.44Å; L217-M219 VanDerWaalsContact C-N 3.26Å; L217-M219 PolarHBondContact O-N 3.34Å
220G39.5Very low48Very low53 Ų53107.9 Ų107.955%0.54662%0.621SS.*  trans86.299-176.100000110.7L217L217-G220 PolarHBondContact O-N 3.38Å
221T41.5Very low47.7Very low35 Ų35105.6 Ų105.622%0.21562%0.62CS.*  trans-78.9131.1175-178.20000110.6L217 K223 F224L217-T221 HydrophobicContact CD2-CG2 3.65Å; L217-T221 HydrophobicContact CG-CG2 3.82Å; T221-K223 PolarHBondContact O-N 3.12Å; T221-K223 PolarHBondContact OG1-N 3.11Å; T221-F224 HydrophobicContact CG2-CD2 3.81Å; T221-F224 HydrophobicContact CG2-CE2 4.31Å
222N48.3Very low47.6Very low133 Ų133111.7 Ų111.771%0.71164%0.637SS**THydrogen-bonded Turntrans-81.2-0.9173.263.9-10.1000113.1F224N222-F224 PolarHBondContact O-N 3.47Å
223K50Low46.7Very low160 Ų160112.7 Ų112.770%0.69664%0.64SS**THydrogen-bonded Turntrans-77.3-17.3-174.1-71-166.9175.6-176.50114.6T221T221-K223 PolarHBondContact O-N 3.12Å; T221-K223 PolarHBondContact OG1-N 3.11Å
224F55Low46.3Very low170 Ų170115.3 Ų115.375%0.74664%0.642SS**SBendtrans-120.5-19.3-175.6-57.1-65.8000114.8T221 N222 S226T221-F224 HydrophobicContact CG2-CD2 3.81Å; T221-F224 HydrophobicContact CG2-CE2 4.31Å; N222-F224 PolarHBondContact O-N 3.47Å; F224-S226 PolarHBondContact O-N 3.49Å
225A51.1Low46.4Very low79 Ų79118.9 Ų118.965%0.65365%0.652SS**  trans-95.677.4175.700000110.2Q227A225-Q227 PolarHBondContact O-N 3.31Å
226S46.3Very low46.5Very low90 Ų90124 Ų12463%0.62967%0.665SS**  trans-73117.3167.3-1720000108.8F224 K228F224-S226 PolarHBondContact O-N 3.49Å; S226-K228 PolarHBondContact O-N 3.39Å; S226-K228 VanDerWaalsContact O-N 3.09Å; S226-K228 VanDerWaalsContact OG-CB 3.23Å; S226-K228 WeakPolarHBondContact OG-CB 3.45Å; S226-K228 PolarHBondContact OG-N 3.22Å
227Q53.7Low46.2Very low152 Ų152128.9 Ų128.971%0.7168%0.68SS**  trans-67.8-0.7171.5-68.9-178.116.300112.8A225 G229 M230A225-Q227 PolarHBondContact O-N 3.31Å; Q227-G229 PolarHBondContact O-N 3.23Å; Q227-M230 PolarHBondContact O-N 2.87Å; Q227-M230 VanDerWaalsContact O-N 3.12Å
228K41.9Very low46.5Very low196 Ų196129 Ų12985%0.85268%0.68SS**THydrogen-bonded Turntrans-67.6102.5178.7-153.2179.3-172.2-176.90108.8S226S226-K228 PolarHBondContact O-N 3.39Å; S226-K228 VanDerWaalsContact O-N 3.09Å; S226-K228 VanDerWaalsContact OG-CB 3.23Å; S226-K228 WeakPolarHBondContact OG-CB 3.45Å; S226-K228 PolarHBondContact OG-N 3.22Å
229G45.8Very low46.6Very low79 Ų79126.7 Ų126.781%0.81468%0.683SS**THydrogen-bonded Turntrans110.2-3.4-178.600000115.2Q227 S231Q227-G229 PolarHBondContact O-N 3.23Å; G229-S231 PolarHBondContact O-N 3.41Å
230M45.9Very low46.4Very low113 Ų113126.7 Ų126.756%0.55769%0.686SS**  trans-74.192.9169.4-89.7179.842.400110.2Q227 F232Q227-M230 PolarHBondContact O-N 2.87Å; Q227-M230 VanDerWaalsContact O-N 3.12Å; M230-F232 HydrophobicContact CE-CE1 4.26Å; M230-F232 HydrophobicContact CE-CE2 4.25Å; M230-F232 HydrophobicContact CE-CZ 3.84Å; M230-F232 PolarHBondContact O-N 2.95Å
231S46.4Very low46.8Very low95 Ų95131.2 Ų131.266%0.66470%0.695SS**  trans-70.7111155.4153.10000106.8G229 S233G229-S231 PolarHBondContact O-N 3.41Å; S231-S233 PolarHBondContact O-N 3.39Å; S231-S233 VanDerWaalsContact O-N 3.16Å
232F52Low47Very low165 Ų165137.3 Ų137.372%0.72472%0.719SS**  trans-57.5121.6158.1-70.3-89.4000105.8M230M230-F232 HydrophobicContact CE-CE1 4.26Å; M230-F232 HydrophobicContact CE-CE2 4.25Å; M230-F232 HydrophobicContact CE-CZ 3.84Å; M230-F232 PolarHBondContact O-N 2.95Å
233S38.3Very low47.2Very low88 Ų88135 Ų13562%0.61571%0.712SS**  trans-39.1144.2179.856.90000111.9S231 Q235S231-S233 PolarHBondContact O-N 3.39Å; S231-S233 VanDerWaalsContact O-N 3.16Å; S233-Q235 PolarHBondContact O-N 3.39Å
234N44.2Very low47.4Very low141 Ų141134 Ų13475%0.75472%0.715SS**  trans-45.4134.2-179.5-71.5-15.6000111.8R236N234-R236 PolarHBondContact O-N 3.19Å
235Q46.9Very low47.2Very low174 Ų174133.2 Ų133.281%0.81372%0.718SS**  trans-52.7102.4176.4-160.9169.3-16.900108.4S233 H237S233-Q235 PolarHBondContact O-N 3.39Å; Q235-H237 PolarHBondContact O-N 3Å
236R46.8Very low47.3Very low210 Ų210133.5 Ų133.579%0.79271%0.709SS**  trans-67.2110175.5-73.8-171.2-70.4-110.3-0.5106.5N234 I238N234-R236 PolarHBondContact O-N 3.19Å; R236-I238 PolarHBondContact O-N 3.18Å
237H41.9Very low47.8Very low171 Ų171132.4 Ų132.479%0.79270%0.701SS**  trans-59106.3165.3-79-140.1000106.2Q235 A239Q235-H237 PolarHBondContact O-N 3Å; H237-A239 PolarHBondContact O-N 3.49Å
238I50.8Low48.2Very low136 Ų136133.5 Ų133.570%0.69771%0.706SS**  trans-58.3102.3153.2-93.394.4000102.7R236 D240R236-I238 PolarHBondContact O-N 3.18Å; I238-D240 PolarHBondContact O-N 3.28Å; I238-D240 VanDerWaalsContact O-N 3.1Å
239A44.8Very low48.8Very low80 Ų80131.5 Ų131.566%0.66170%0.699SS**  trans-55.7117.9155.700000103.7H237 I241H237-A239 PolarHBondContact O-N 3.49Å; A239-I241 VanDerWaalsContact C-N 3.31Å; A239-I241 PolarHBondContact O-N 3.19Å
240D42.6Very low49.1Very low141 Ų141129.3 Ų129.375%0.75468%0.677SS**  trans-47.8104.2175.6-67.1-43.1000106.6I238 K242I238-D240 PolarHBondContact O-N 3.28Å; I238-D240 VanDerWaalsContact O-N 3.1Å; D240-K242 PolarHBondContact O-N 3.42Å
241I48.1Very low49.7Very low147 Ų147129.9 Ų129.975%0.75468%0.677SS**  trans-62.6102.9173.4-67.3174.8000102.6A239 C243A239-I241 VanDerWaalsContact C-N 3.31Å; A239-I241 PolarHBondContact O-N 3.19Å; I241-C243 PolarHBondContact O-N 3.36Å
242K47.1Very low50.1Low163 Ų163129.9 Ų129.971%0.70968%0.677SS**  trans-55.4121.3-176.3-71.5-166.4178.6-174.50107.1D240 D244D240-K242 PolarHBondContact O-N 3.42Å; K242-D244 PolarHBondContact O-N 3.04Å
243C52.4Low49.9Very low85 Ų85127.2 Ų127.257%0.57467%0.674SS**G310 helixtrans-67.70.6-172.7-155.80000112.9I241I241-C243 PolarHBondContact O-N 3.36Å
244D53.3Low50.5Low140 Ų140128.4 Ų128.475%0.74967%0.672SS**G310 helixtrans-82.6-18.9-170.1-58.1-24000112.8K242K242-D244 PolarHBondContact O-N 3.04Å
245D51.5Low50.7Low153 Ų153126.1 Ų126.182%0.81866%0.66SS**G310 helixtrans-100.64.8-178.4-68.6-26.9000114.4S247D245-S247 PolarHBondContact O-N 3.18Å
246L52.5Low50.9Low85 Ų85125.1 Ų125.145%0.44566%0.659SS.*  trans-79.6107.9171.7-89.593.6000110.3K251L246-K251 HydrophobicContact CB-CG 4.26Å; L246-K251 HydrophobicContact CD2-CG 4.15Å
247S56.8Low50.9Low66 Ų66123.8 Ų123.846%0.46266%0.662SS.*  trans-52.8144.4166.588.90000109.9D245 E249 G250 K251D245-S247 PolarHBondContact O-N 3.18Å; S247-E249 PolarHBondContact O-N 3.49Å; S247-E249 VanDerWaalsContact O-N 3.11Å; S247-G250 PolarHBondContact O-N 3.28Å; S247-G250 PolarHBondContact OG-N 3Å; S247-K251 PolarHBondContact O-N 3.46Å
248Q61.4Low51.2Low175 Ų175122.8 Ų122.882%0.81866%0.659SS**THydrogen-bonded Turntrans-55.7-30178.6-94-174.7-2000112.3K251Q248-K251 PolarHBondContact O-N 3.38Å
249E55Low50.9Low154 Ų154118.8 Ų118.872%0.7265%0.652SS**THydrogen-bonded Turntrans-67.5-42.1177.2-67.1166.616100111.5S247 K251 S252S247-E249 PolarHBondContact O-N 3.49Å; S247-E249 VanDerWaalsContact O-N 3.11Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.88Å; E249-S252 PolarHBondContact O-N 3.09Å; E249-S252 PolarHBondContact O-OG 3.08Å
250G53.4Low51Low34 Ų34117.2 Ų117.235%0.35163%0.634SS.*G310 helixtrans-63.9-28.8178.300000113.7S247 S252 V253S247-G250 PolarHBondContact O-N 3.28Å; S247-G250 PolarHBondContact OG-N 3Å; G250-S252 PolarHBondContact O-N 3.44Å; G250-V253 PolarHBondContact O-N 3.05Å
251K57.4Low51.5Low125 Ų125116.7 Ų116.754%0.54363%0.631SS.*G310 helixtrans-65.2-22.7177.1-67-178.6-179.3178.10113.5L246 S247 Q248 E249L246-K251 HydrophobicContact CB-CG 4.26Å; L246-K251 HydrophobicContact CD2-CG 4.15Å; S247-K251 PolarHBondContact O-N 3.46Å; Q248-K251 PolarHBondContact O-N 3.38Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.88Å
252S55.8Low51.8Low95 Ų95116.8 Ų116.866%0.66463%0.629SS**G310 helixtrans-85.3-16.1178.272.40000113.5E249 G250 I254E249-S252 PolarHBondContact O-N 3.09Å; E249-S252 PolarHBondContact O-OG 3.08Å; G250-S252 PolarHBondContact O-N 3.44Å; S252-I254 PolarHBondContact O-N 3.35Å
253V47.4Very low52.2Low109 Ų109117.3 Ų117.366%0.66163%0.631SS**  trans-98.185.9-174.4-172.70000109.7G250 N255G250-V253 PolarHBondContact O-N 3.05Å; V253-N255 PolarHBondContact O-N 3.24Å
254I51Low52.2Low113 Ų113117 Ų11758%0.57964%0.635SS**  trans-72.1115.9167.1-57.5176.3000107.4S252 M258S252-I254 PolarHBondContact O-N 3.35Å; I254-M258 HydrophobicContact CG2-CB 4.32Å
255N47.4Very low51.9Low93 Ų93114.8 Ų114.850%0.49763%0.63SS.*  trans-61141.7177.861.1-4.8000111.3V253 Q257 M258V253-N255 PolarHBondContact O-N 3.24Å; N255-Q257 PolarHBondContact O-N 3.19Å; N255-M258 PolarHBondContact O-N 3.04Å; N255-M258 VanDerWaalsContact O-N 3.11Å; N255-M258 WeakPolarHBondContact OD1-CG 3.44Å
256L52.7Low52Low153 Ų153115.1 Ų115.180%0.80163%0.627SS**G310 helixtrans-57.5-22.5-176.1-115.8107.2000113.8M258 G259L256-M258 PolarHBondContact O-N 3.24Å; L256-G259 PolarHBondContact O-N 2.92Å
257Q45.3Very low51.5Low181 Ų181120.5 Ų120.585%0.84665%0.647SS**G310 helixtrans-65.6-25-179.5-163.7179.3-63.300113.1N255 G259N255-Q257 PolarHBondContact O-N 3.19Å; Q257-G259 VanDerWaalsContact C-N 3.32Å
258M48.1Very low50.9Low150 Ų150121.1 Ų121.174%0.73966%0.664SS**G310 helixtrans-882.2179.1-72.3-73.5-75.400113.7I254 N255 L256I254-M258 HydrophobicContact CG2-CB 4.32Å; N255-M258 PolarHBondContact O-N 3.04Å; N255-M258 VanDerWaalsContact O-N 3.11Å; N255-M258 WeakPolarHBondContact OD1-CG 3.44Å; L256-M258 PolarHBondContact O-N 3.24Å
259G44.5Very low50.1Low53 Ų53118.7 Ų118.755%0.54665%0.654SS.*  trans76.7115.9-175.200000111.1L256 Q257L256-G259 PolarHBondContact O-N 2.92Å; Q257-G259 VanDerWaalsContact C-N 3.32Å
260T47.9Very low49.7Very low46 Ų46123 Ų12328%0.28266%0.664SS.*  trans-87.7133.6175.1169.40000110.5Q262 F263T260-Q262 VanDerWaalsContact C-N 3.31Å; T260-Q262 WeakPolarHBondContact OG1-CB 3.26Å; T260-Q262 PolarHBondContact OG1-N 3.32Å; T260-Q262 VanDerWaalsContact OG1-N 3.12Å; T260-F263 HydrophobicContact CG2-CD2 3.99Å; T260-F263 HydrophobicContact CG2-CE2 4.4Å
261N52.2Low49.3Very low130 Ų130128.3 Ų128.370%0.69568%0.682SS**SBendtrans-84.5-0.4172.758.9-16000113.1F263N261-F263 VanDerWaalsContact C-N 3.31Å; N261-F263 PolarHBondContact O-N 2.73Å
262Q54Low48.7Very low150 Ų150125.5 Ų125.570%0.70169%0.688SS**SBendtrans-75-18.5-175.4-66.1-171.9-3.100114T260T260-Q262 VanDerWaalsContact C-N 3.31Å; T260-Q262 WeakPolarHBondContact OG1-CB 3.26Å; T260-Q262 PolarHBondContact OG1-N 3.32Å; T260-Q262 VanDerWaalsContact OG1-N 3.12Å
263F56.7Low48.1Very low173 Ų173126.3 Ų126.376%0.75969%0.694SS**SBendtrans-119.9-17-176.5-54.5-68.1000114.2T260 N261 S265T260-F263 HydrophobicContact CG2-CD2 3.99Å; T260-F263 HydrophobicContact CG2-CE2 4.4Å; N261-F263 VanDerWaalsContact C-N 3.31Å; N261-F263 PolarHBondContact O-N 2.73Å; F263-S265 PolarHBondContact O-N 3.28Å
264A51.3Low47.9Very low79 Ų79126.9 Ų126.965%0.65370%0.703SS**  trans-8886.2176.600000110.4
265S48.4Very low47.5Very low94 Ų94132.3 Ų132.366%0.65772%0.716SS**  trans-79123.6170.9179.40000110.3F263 K267F263-S265 PolarHBondContact O-N 3.28Å; S265-K267 PolarHBondContact O-N 3.47Å; S265-K267 VanDerWaalsContact OG-CB 3.26Å; S265-K267 WeakPolarHBondContact OG-CB 3.49Å; S265-K267 PolarHBondContact OG-N 3.26Å
266Q53Low47.1Very low160 Ų160137.2 Ų137.275%0.74874%0.735SS**  trans-72.30.4173.6-65.4179.111.400113.1G268 M269Q266-G268 PolarHBondContact O-N 3.4Å; Q266-G268 VanDerWaalsContact O-N 3.08Å; Q266-M269 PolarHBondContact O-N 3.27Å; Q266-M269 VanDerWaalsContact O-N 3.09Å
267K41.6Very low46.6Very low198 Ų198136.3 Ų136.386%0.86173%0.73SS**THydrogen-bonded Turntrans-66.3110.2-178-163.4177.5-176.2-179.40109.6S265S265-K267 PolarHBondContact O-N 3.47Å; S265-K267 VanDerWaalsContact OG-CB 3.26Å; S265-K267 WeakPolarHBondContact OG-CB 3.49Å; S265-K267 PolarHBondContact OG-N 3.26Å
268G44.6Very low46.4Very low79 Ų79131.8 Ų131.881%0.81472%0.723SS**THydrogen-bonded Turntrans100.7-1.8-178.800000115Q266 R270Q266-G268 PolarHBondContact O-N 3.4Å; Q266-G268 VanDerWaalsContact O-N 3.08Å; G268-R270 PolarHBondContact O-N 3.23Å
269M44.2Very low45.9Very low124 Ų124131.9 Ų131.961%0.61173%0.727SS**  trans-76.296.2177.2-155.3161.789.400110.4Q266 I271Q266-M269 PolarHBondContact O-N 3.27Å; Q266-M269 VanDerWaalsContact O-N 3.09Å; M269-I271 HydrophobicContact CE-CD1 3.7Å; M269-I271 HydrophobicContact CE-CG1 3.88Å; M269-I271 HydrophobicContact CG-CG1 4.28Å; M269-I271 PolarHBondContact O-N 3.41Å
270R46.1Very low45.9Very low245 Ų245136.5 Ų136.593%0.92574%0.738SS**  trans-76.893.3166.7-89.2-175.1171.2-158.1-1.6108.8G268 G272G268-R270 PolarHBondContact O-N 3.23Å; R270-G272 PolarHBondContact O-N 3.13Å
271I45.9Very low45.6Very low145 Ų145144.7 Ų144.774%0.74476%0.763SS**  trans-73.9107.8169-63.5172.5000107.7M269M269-I271 HydrophobicContact CE-CD1 3.7Å; M269-I271 HydrophobicContact CE-CG1 3.88Å; M269-I271 HydrophobicContact CG-CG1 4.28Å; M269-I271 PolarHBondContact O-N 3.41Å
272G44.9Very low45.3Very low65 Ų65143.1 Ų143.167%0.6776%0.762SS**  trans76.7111.5167.700000114.8R270R270-G272 PolarHBondContact O-N 3.13Å
273S43.8Very low44.9Very low112 Ų112142.5 Ų142.578%0.78376%0.763SS**  trans-62.5143159.1-29.70000109.3R275S273-R275 PolarHBondContact O-N 3.22Å; S273-R275 VanDerWaalsContact O-N 3.11Å
274S42.7Very low44.3Very low121 Ų121142.2 Ų142.285%0.84677%0.769SS**  trans-50118.1172.2-57.40000110.5
275R42.1Very low44Very low228 Ų228142.8 Ų142.886%0.8676%0.761SS**  trans-86.7114.7171.1-64.9-169.2-73.8-143.70.4107.4S273 I277S273-R275 PolarHBondContact O-N 3.22Å; S273-R275 VanDerWaalsContact O-N 3.11Å; R275-I277 PolarHBondContact O-N 3.29Å
276H38.6Very low44Very low195 Ų195141.6 Ų141.690%0.90375%0.752SS**  trans-64.3101.9166.4-101.1-141.9000107.3A278H276-A278 PolarHBondContact O-N 2.82Å
277I42.4Very low44Very low135 Ų135142.9 Ų142.969%0.69276%0.755SS**  trans-76.8113.6165.2-60.7166.9000103.7R275 D279R275-I277 PolarHBondContact O-N 3.29Å; I277-D279 PolarHBondContact O-N 3.49Å
278A41.9Very low44.4Very low85 Ų85141.1 Ų141.170%0.70275%0.75SS**  trans-56.9127.1168.100000107.4H276 I280H276-A278 PolarHBondContact O-N 2.82Å; A278-I280 PolarHBondContact O-N 2.98Å
279D37.8Very low44.6Very low152 Ų152139 Ų13981%0.81373%0.728SS**  trans-52.9110.4-178.6-65.1-46.6000109I277 R281I277-D279 PolarHBondContact O-N 3.49Å; D279-R281 VanDerWaalsContact C-N 3.31Å; D279-R281 PolarHBondContact O-N 3.05Å
280I44Very low45Very low151 Ų151138.6 Ų138.677%0.77473%0.725SS**  trans-66100.5170-64.4173.9000105.1A278 C282A278-I280 PolarHBondContact O-N 2.98Å; I280-C282 PolarHBondContact O-N 3.11Å
281R40.6Very low45Very low217 Ų217134 Ų13482%0.81972%0.718SS**  trans-60120.6174.4-66.4-171-66.9-170.80.5108.1D279 D283D279-R281 VanDerWaalsContact C-N 3.31Å; D279-R281 PolarHBondContact O-N 3.05Å; R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 3.38Å
282C45.6Very low44.9Very low98 Ų98133.3 Ų133.366%0.66272%0.715SS**  trans-91.832.4-165.5-149.30000112.2I280 D284I280-C282 PolarHBondContact O-N 3.11Å; C282-D284 PolarHBondContact O-N 3.42Å
283D46.4Very low44.8Very low137 Ų137136.9 Ų136.973%0.73372%0.717SS**THydrogen-bonded Turntrans-85.7-8.7-164.4-63.6-22.7000114R281R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 3.38Å
284D44Very low44.6Very low166 Ų166134.8 Ų134.889%0.88870%0.702SS**THydrogen-bonded Turntrans-114.923-175.3-70.5-32.7000115C282 S286C282-D284 PolarHBondContact O-N 3.42Å; D284-S286 PolarHBondContact O-N 3.21Å
285I46.1Very low44.5Very low92 Ų92137.5 Ų137.547%0.47271%0.706SS.*  trans-76.1108.3167.3-144.2169.7000108.1K287 Q290I285-K287 PolarHBondContact O-N 3.38Å; I285-Q290 HydrophobicContact CG2-CG 3.57Å
286S47.1Very low44.5Very low69 Ų69134.9 Ų134.948%0.48370%0.704SS.*  trans-56.3143.3174.482.30000109.3D284 E288 G289D284-S286 PolarHBondContact O-N 3.21Å; S286-E288 PolarHBondContact O-N 3Å; S286-G289 PolarHBondContact O-N 3.21Å; S286-G289 PolarHBondContact OG-N 3.11Å
287K54.2Low44.5Very low186 Ų186134.3 Ų134.381%0.80970%0.695SS**THydrogen-bonded Turntrans-54.9-25.3179.7-79-175.4175.8178.80112.9I285I285-K287 PolarHBondContact O-N 3.38Å
288E48.5Very low44.3Very low162 Ų162131.5 Ų131.576%0.75770%0.7SS**THydrogen-bonded Turntrans-74.1-33.8177-68.5168.7166.600112.5S286S286-E288 PolarHBondContact O-N 3Å
289G50.4Low44.3Very low33 Ų33131.7 Ų131.734%0.3469%0.692SS.*G310 helixtrans-72.4-25.7179.100000114.2S286 N291 I292S286-G289 PolarHBondContact O-N 3.21Å; S286-G289 PolarHBondContact OG-N 3.11Å; G289-N291 PolarHBondContact O-N 3.08Å; G289-I292 PolarHBondContact O-N 3.15Å
290Q51.7Low44.7Very low117 Ų117131.1 Ų131.155%0.54769%0.689SS.*G310 helixtrans-63.3-27.1-178.9-67.3-173.3-5.700113.4I285I285-Q290 HydrophobicContact CG2-CG 3.57Å
291N46.5Very low44.8Very low148 Ų148132.8 Ų132.879%0.79169%0.691SS**G310 helixtrans-90.6-9.6-179.8-74.5-21000113.7G289 I293G289-N291 PolarHBondContact O-N 3.08Å; N291-I293 PolarHBondContact O-N 2.83Å
292I42.8Very low45.1Very low131 Ų131129.9 Ų129.967%0.67269%0.691SS**  trans-101.278.1178.7-52.1-177.4000108.3G289 S294G289-I292 PolarHBondContact O-N 3.15Å; I292-S294 VanDerWaalsContact C-N 3.29Å; I292-S294 PolarHBondContact O-N 3.42Å
293I43.2Very low45Very low140 Ų140128.6 Ų128.672%0.71869%0.687SS**  trans-69.495.3166.6-59.7174.9000106.7N291 L295N291-I293 PolarHBondContact O-N 2.83Å; I293-L295 PolarHBondContact O-N 2.94Å
294S39.8Very low44.9Very low67 Ų67127 Ų12747%0.46969%0.687SS.*  trans-56.3129.117258.60000109.1I292 Q296 Y297I292-S294 VanDerWaalsContact C-N 3.29Å; I292-S294 PolarHBondContact O-N 3.42Å; S294-Q296 PolarHBondContact O-N 3.01Å; S294-Y297 PolarHBondContact O-N 3.4Å
295L41.2Very low45.1Very low178 Ų178126.4 Ų126.493%0.93268%0.678SS**THydrogen-bonded Turntrans-50-4.5-177.8-112.8129000116.3I293I293-L295 PolarHBondContact O-N 2.94Å
296Q41.5Very low44.7Very low173 Ų173131.5 Ų131.581%0.80870%0.697SS**THydrogen-bonded Turntrans-78.2-23.7-179.5-163.2173.7-60.800113.4S294S294-Q296 PolarHBondContact O-N 3.01Å
297Y38.9Very low44.5Very low184 Ų184131.9 Ų131.972%0.72271%0.712SS**SBendtrans-91.3109.1171.2-73.6-82.2000109.1S294 T299S294-Y297 PolarHBondContact O-N 3.4Å; Y297-T299 PolarHBondContact O-N 3.23Å
298G38.7Very low43.7Very low76 Ų76129.9 Ų129.978%0.78471%0.707SS**  trans-44.7136.1-175.900000113.6
299T41.9Very low43.3Very low88 Ų88134 Ų13454%0.5472%0.716SS.*  trans-68131.8179.9-177.30000111.4Y297 K301 L302Y297-T299 PolarHBondContact O-N 3.23Å; T299-K301 PolarHBondContact O-N 3.19Å; T299-K301 PolarHBondContact OG1-N 2.91Å; T299-L302 HydrophobicContact CG2-CD1 4.4Å
300N46.3Very low42.8Very low140 Ų140140.7 Ų140.775%0.74974%0.74SS**THydrogen-bonded Turntrans-77.3-117257.8-12.2000113.2L302N300-L302 PolarHBondContact O-N 3.33Å
301K44.7Very low42.1Very low187 Ų187138.6 Ų138.681%0.81375%0.75SS**THydrogen-bonded Turntrans-71.7-12.1-178.5-70.7-164.2176.6-175.70114.8T299T299-K301 PolarHBondContact O-N 3.19Å; T299-K301 PolarHBondContact OG1-N 2.91Å
302L47.4Very low41.5Very low156 Ų156135 Ų13582%0.81775%0.749SS**SBendtrans-116.2-12.2-174.7-62.7173.3000114.2T299 N300 S304T299-L302 HydrophobicContact CG2-CD1 4.4Å; N300-L302 PolarHBondContact O-N 3.33Å; L302-S304 PolarHBondContact O-N 2.97Å
303A44.5Very low41.4Very low70 Ų70137.3 Ų137.358%0.57976%0.756SS**  trans-96.192.1-177.700000110.8Q305A303-Q305 PolarHBondContact O-N 3.12Å
304S42.8Very low41.2Very low105 Ų105141.5 Ų141.573%0.73476%0.763SS**  trans-65.6112.3168.3175.40000109.7L302 K306L302-S304 PolarHBondContact O-N 2.97Å; S304-K306 PolarHBondContact O-N 3.21Å; S304-K306 VanDerWaalsContact O-N 3.13Å
305Q48.5Very low40.9Very low153 Ų153146.4 Ų146.472%0.71578%0.778SS**  trans-78.316.4178.7-63.9179.97.700113.2A303 G307 M308A303-Q305 PolarHBondContact O-N 3.12Å; Q305-G307 PolarHBondContact O-N 3.26Å; Q305-M308 PolarHBondContact O-N 2.9Å; Q305-M308 VanDerWaalsContact O-N 3.11Å
306K38.9Very low40.9Very low198 Ų198144.6 Ų144.686%0.86177%0.768SS**THydrogen-bonded Turntrans-60111-179.8-165.6177.6-176-1800109.3S304S304-K306 PolarHBondContact O-N 3.21Å; S304-K306 VanDerWaalsContact O-N 3.13Å
307G41.7Very low40.7Very low77 Ų77140.3 Ų140.379%0.79476%0.762SS**THydrogen-bonded Turntrans101.8-1.2177.900000116Q305 R309Q305-G307 PolarHBondContact O-N 3.26Å; G307-R309 PolarHBondContact O-N 3.26Å
308M37.3Very low40.6Very low144 Ų144138.9 Ų138.971%0.70977%0.767SS**  trans-80.9101.8175.9-77.6-170.3161.100111.7Q305 M310Q305-M308 PolarHBondContact O-N 2.9Å; Q305-M308 VanDerWaalsContact O-N 3.11Å; M308-M310 PolarHBondContact O-N 3.18Å
309R40.9Very low40.7Very low249 Ų249142 Ų14294%0.9476%0.764SS**  trans-84.590.9166.2-112.6-179.8161.1-156.4-3.5108.8G307G307-R309 PolarHBondContact O-N 3.26Å
310M39.8Very low40.4Very low173 Ų173148 Ų14885%0.85278%0.777SS**  trans-98.192.2177.5-80.8-75.4-10500111M308M308-M310 PolarHBondContact O-N 3.18Å
311G37.6Very low40.3Very low74 Ų74145.9 Ų145.976%0.76377%0.772SS**  trans71.5141.2161.400000116.5
312G34.2Very low40.2Very low73 Ų73143.9 Ų143.975%0.75377%0.77SS**  trans-62147.8176.500000112.9R314G312-R314 PolarHBondContact O-N 3.49Å; G312-R314 VanDerWaalsContact O-N 3.16Å
313Q39.5Very low40.1Very low178 Ų178144.3 Ų144.383%0.83277%0.773SS**  trans-48113.7178.4-173.6176.5-1800111.3H315Q313-H315 PolarHBondContact O-N 3.49Å
314R39.1Very low40Very low228 Ų228146.6 Ų146.686%0.8678%0.775SS**  trans-76.6115.7169.6-73.8-172.8-88.1-1121.9107.9G312 I316G312-R314 PolarHBondContact O-N 3.49Å; G312-R314 VanDerWaalsContact O-N 3.16Å; R314-I316 PolarHBondContact O-N 3.01Å
315H34.5Very low40.2Very low170 Ų170145.3 Ų145.379%0.78777%0.767SS**  trans-62106.2166.6-75.1-167000107.7Q313 A317Q313-H315 PolarHBondContact O-N 3.49Å; H315-A317 PolarHBondContact O-N 3.23Å
316I41.2Very low40.5Very low141 Ų141142.2 Ų142.272%0.72377%0.767SS**  trans-72.8112165.5-63.3170.3000104.2R314 D318R314-I316 PolarHBondContact O-N 3.01Å; I316-D318 PolarHBondContact O-N 3.42Å
317A37Very low41Very low83 Ų83138.8 Ų138.869%0.68676%0.758SS**  trans-54.6127.7169.700000107.7H315 I319H315-A317 PolarHBondContact O-N 3.23Å; A317-I319 PolarHBondContact O-N 3.16Å
318D36.6Very low41.3Very low153 Ų153136.9 Ų136.982%0.81874%0.738SS**  trans-49.9102.8-176.8-58.9-54.2000109.9I316 R320I316-D318 PolarHBondContact O-N 3.42Å; D318-R320 PolarHBondContact O-N 2.74Å
319I40.6Very low41.8Very low141 Ų141133.1 Ų133.172%0.72373%0.73SS**  trans-67.595.1164-63.1176.1000104.1A317 C321A317-I319 PolarHBondContact O-N 3.16Å; I319-C321 VanDerWaalsContact C-N 3.28Å; I319-C321 PolarHBondContact O-N 3.44Å
320R35.9Very low42Very low215 Ų215126 Ų12681%0.81172%0.718SS**  trans-57.898.7165.6-69.6-173.9-69.5-172.4-0.8106.3D318 D322D318-R320 PolarHBondContact O-N 2.74Å; R320-D322 VanDerWaalsContact C-N 3.32Å; R320-D322 PolarHBondContact O-N 3.27Å; R320-D322 VanDerWaalsContact O-N 3.07Å
321C43.5Very low42.3Very low96 Ų96123.4 Ų123.465%0.64971%0.712SS**  trans-68.9100.7162.3-80.40000105.8I319 N323 L324I319-C321 VanDerWaalsContact C-N 3.28Å; I319-C321 PolarHBondContact O-N 3.44Å; C321-N323 PolarHBondContact O-N 3.31Å; C321-L324 HydrophobicContact CB-CD1 4.37Å
322D43.2Very low42.3Very low144 Ų144126.8 Ų126.877%0.7771%0.711SS**  trans-52.2138.3163-66.2-35.9000108.4R320 L324R320-D322 VanDerWaalsContact C-N 3.32Å; R320-D322 PolarHBondContact O-N 3.27Å; R320-D322 VanDerWaalsContact O-N 3.07Å; D322-L324 PolarHBondContact O-N 3.19Å; D322-L324 VanDerWaalsContact O-N 3.08Å
323N44.6Very low42.4Very low165 Ų165125.9 Ų125.988%0.88270%0.702SS**  trans-24.4106.2-174.2-66.8-31.6000113.7C321 S325C321-N323 PolarHBondContact O-N 3.31Å; N323-S325 PolarHBondContact O-N 3.28Å
324L42.7Very low42.2Very low119 Ų119125.9 Ų125.962%0.62371%0.707SS**  trans-53.3125.2166.2-103.187000108.3C321 D322C321-L324 HydrophobicContact CB-CD1 4.37Å; D322-L324 PolarHBondContact O-N 3.19Å; D322-L324 VanDerWaalsContact O-N 3.08Å
325S46.5Very low41.9Very low78 Ų78124.1 Ų124.155%0.54571%0.708SS.*  trans-54140.4167.8171.30000109.7N323 D327 G328N323-S325 PolarHBondContact O-N 3.28Å; S325-D327 PolarHBondContact O-N 3.04Å; S325-G328 PolarHBondContact O-N 2.86Å
326A54.7Low42Very low87 Ų87124.7 Ų124.772%0.71971%0.714SS**Hα-helixtrans-53.6-27179.900000112.9A329A326-A329 PolarHBondContact O-N 3.49Å
327D50.8Low41.8Very low127 Ų127121.3 Ų121.368%0.67971%0.714SS**Hα-helixtrans-70.1-33.6177.7-66.7-21.2000112.5S325 A329 S330S325-D327 PolarHBondContact O-N 3.04Å; D327-A329 VanDerWaalsContact C-N 3.32Å; D327-A329 PolarHBondContact O-N 3.43Å; D327-S330 PolarHBondContact O-N 3.21Å; D327-S330 PolarHBondContact O-OG 2.87Å
328G47.4Very low41.8Very low37 Ų37124.6 Ų124.638%0.38172%0.719SS.*Hα-helixtrans-71-25.5179.700000113.7S325 S330S325-G328 PolarHBondContact O-N 2.86Å; G328-S330 VanDerWaalsContact C-N 3.25Å; G328-S330 PolarHBondContact O-N 3.18Å
329A47.2Very low41.8Very low64 Ų64122.2 Ų122.253%0.52971%0.711SS.*Hα-helixtrans-68.8-24.3177.800000112.8A326 D327 V331A326-A329 PolarHBondContact O-N 3.49Å; D327-A329 VanDerWaalsContact C-N 3.32Å; D327-A329 PolarHBondContact O-N 3.43Å; A329-V331 VanDerWaalsContact C-N 3.31Å; A329-V331 PolarHBondContact O-N 2.85Å
330S46.9Very low42Very low99 Ų99123.6 Ų123.669%0.69272%0.715SS**THydrogen-bonded Turntrans-76.9-14.2-177.4710000114.4D327 G328D327-S330 PolarHBondContact O-N 3.21Å; D327-S330 PolarHBondContact O-OG 2.87Å; G328-S330 VanDerWaalsContact C-N 3.25Å; G328-S330 PolarHBondContact O-N 3.18Å
331V45Very low42.4Very low120 Ų120121.1 Ų121.173%0.72772%0.718SS**THydrogen-bonded Turntrans-94.20.1-174.5-171.10000112.8A329 G333A329-V331 VanDerWaalsContact C-N 3.31Å; A329-V331 PolarHBondContact O-N 2.85Å; V331-G333 PolarHBondContact O-N 2.82Å
332I37.1Very low42.2Very low144 Ų144125 Ų12574%0.73873%0.726SS**  trans-77.974.1168.9-52.7-178.7000108.7L334I332-L334 PolarHBondContact O-N 3.27Å
333G36.7Very low42Very low55 Ų55123.3 Ų123.357%0.56772%0.721SS**  trans-65.9121.1169.200000110.5V331 Q335V331-G333 PolarHBondContact O-N 2.82Å; G333-Q335 PolarHBondContact O-N 3.38Å
334L35.7Very low41.8Very low178 Ų178120 Ų12093%0.93272%0.716SS**  trans46.160139.5-74.8153.5000116.3I332I332-L334 PolarHBondContact O-N 3.27Å
335Q32.8Very low41.7Very low190 Ų190119.2 Ų119.289%0.88872%0.721SS**  trans-118.443158.5-155.4165.5-1100110.6G333 G337G333-Q335 PolarHBondContact O-N 3.38Å; Q335-G337 PolarHBondContact O-N 3.06Å
336M37.3Very low41.5Very low183 Ų183122.3 Ų122.390%0.90173%0.727SS**PPolyproline II helixtrans-73.9121.7163.3-87.8-85.8-12700108.1
337G36.7Very low40.7Very low70 Ų70122.4 Ų122.472%0.72273%0.728SS**PPolyproline II helixtrans-59.4155.2-164.900000115.2Q335Q335-G337 PolarHBondContact O-N 3.06Å
338L35.3Very low40.1Very low151 Ų151120.2 Ų120.279%0.79174%0.735SS**PPolyproline II helixtrans-53.7153.6174.6-76.9156.3000112.3
339P37.7Very low39.4Very low103 Ų103123.7 Ų123.767%0.66974%0.742SS**PPolyproline II helixtrans-54.9145.3-174.7-21.731.2000113.1N341 Q342P339-N341 PolarHBondContact O-N 3.4Å; P339-Q342 PolarHBondContact O-N 2.8Å
340Q45.2Very low39.1Very low171 Ų171126.2 Ų126.280%0.79976%0.757SS**THydrogen-bonded Turntrans-53.31.6-172.2-151.2170.5900117.1V343Q340-V343 WeakPolarHBondContact O-CG2 3.34Å
341N42.8Very low38.8Very low162 Ų162129.3 Ų129.387%0.86676%0.758SS**THydrogen-bonded Turntrans-985-178.6-71.2-4.6000114.4P339P339-N341 PolarHBondContact O-N 3.4Å
342Q40.1Very low38.3Very low178 Ų178126.9 Ų126.983%0.83276%0.757SS**SBendtrans-12220.2171.5-70.2-169.317.900114P339P339-Q342 PolarHBondContact O-N 2.8Å
343V38.7Very low38.3Very low108 Ų108124.5 Ų124.566%0.65576%0.759SS**PPolyproline II helixtrans-84.9121.1172.5-76.20000110.3Q340 S345Q340-V343 WeakPolarHBondContact O-CG2 3.34Å; V343-S345 PolarHBondContact O-N 3.49Å
344A39.9Very low38.4Very low95 Ų95131 Ų13179%0.78577%0.774SS**PPolyproline II helixtrans-52.7128.7171.400000109.7Q346A344-Q346 PolarHBondContact O-N 3.43Å
345S41.2Very low38.6Very low103 Ų103133.4 Ų133.472%0.7277%0.771SS**PPolyproline II helixtrans-59.6128.8-179.567.60000110.1V343 A347V343-S345 PolarHBondContact O-N 3.49Å; S345-A347 PolarHBondContact O-N 3.38Å
346Q42.3Very low38.7Very low143 Ų143133.2 Ų133.267%0.66877%0.769SS**  trans-7525.2174.5-66.2-170-2500112.5A344 G348 M349A344-Q346 PolarHBondContact O-N 3.43Å; Q346-G348 PolarHBondContact O-N 2.91Å; Q346-G348 VanDerWaalsContact O-N 3.12Å; Q346-M349 HydrophobicContact CB-CE 3.83Å; Q346-M349 HydrophobicContact CG-CE 3.47Å; Q346-M349 VanDerWaalsContact CG-CE 3.47Å
347A37.7Very low38.9Very low90 Ų90131.2 Ų131.274%0.74476%0.761SS**THydrogen-bonded Turntrans-69.3110175.200000108.9S345S345-A347 PolarHBondContact O-N 3.38Å
348G39.3Very low38.9Very low80 Ų80134.8 Ų134.883%0.82576%0.763SS**THydrogen-bonded Turntrans113.40.3174.400000115.9Q346 S350Q346-G348 PolarHBondContact O-N 2.91Å; Q346-G348 VanDerWaalsContact O-N 3.12Å; G348-S350 PolarHBondContact O-N 3.38Å
349M32.7Very low39.2Very low110 Ų110134.8 Ų134.854%0.54276%0.764SS.*  trans-83.992.9171-69.6-160.7-73.700110.5Q346 F351Q346-M349 HydrophobicContact CB-CE 3.83Å; Q346-M349 HydrophobicContact CG-CE 3.47Å; Q346-M349 VanDerWaalsContact CG-CE 3.47Å; M349-F351 HydrophobicContact CB-CE2 4.09Å; M349-F351 PolarHBondContact O-N 3.08Å
350S40.1Very low39.1Very low118 Ų118135 Ų13583%0.82577%0.769SS**  trans-74.298.7166.9178.90000108.6G348 G352G348-S350 PolarHBondContact O-N 3.38Å; S350-G352 PolarHBondContact O-N 3.03Å
351F41.4Very low38.9Very low164 Ų164139.4 Ų139.472%0.71979%0.788SS**  trans-66.9118.7167.6-73.3-87.3000108.5M349M349-F351 HydrophobicContact CB-CE2 4.09Å; M349-F351 PolarHBondContact O-N 3.08Å
352G34.8Very low38.7Very low69 Ų69138.3 Ų138.371%0.71179%0.785SS**  trans-56.4147.8177.100000111.8S350S350-G352 PolarHBondContact O-N 3.03Å
353A36.5Very low38.6Very low94 Ų94136.2 Ų136.278%0.77778%0.782SS**  trans-22.2124-174.300000116.6R355A353-R355 PolarHBondContact O-N 3.07Å
354H39.5Very low38.6Very low190 Ų190137.8 Ų137.888%0.8879%0.789SS**  trans-54.2117168.5-145.661.3000109.3H356H354-H356 PolarHBondContact O-N 3.48Å
355R38.6Very low38.6Very low230 Ų230140.3 Ų140.387%0.86879%0.789SS**  trans-77.7117172.1-71.1-172.5179.4-166.90.4107.9A353 I357A353-R355 PolarHBondContact O-N 3.07Å; R355-I357 PolarHBondContact O-N 3.06Å
356H35.7Very low38.4Very low185 Ų185142.6 Ų142.686%0.85679%0.794SS**  trans-54.1109.7163.2-104.6-105.2000108.4H354H354-H356 PolarHBondContact O-N 3.48Å
357I41Very low38.1Very low141 Ų141142.6 Ų142.672%0.72380%0.802SS**  trans-81.5122.1161-61.8174.2000104.4R355 D359R355-I357 PolarHBondContact O-N 3.06Å; I357-D359 PolarHBondContact O-N 3.18Å
358N37.5Very low38.2Very low145 Ų145146.4 Ų146.478%0.77581%0.806SS**  trans-65.6106.2176.1-133.710.7000106.9S360N358-S360 PolarHBondContact O-N 3.46Å; N358-S360 PolarHBondContact O-OG 2.96Å
359D41.3Very low38.1Very low152 Ų152151.5 Ų151.581%0.81381%0.805SS**  trans-60.8104.7174.9-70.9-32.3000108.3I357I357-D359 PolarHBondContact O-N 3.18Å
360S34.1Very low38.5Very low108 Ų108154.9 Ų154.976%0.75583%0.827SS**  trans-92.7105169.1-53.30000106.7N358N358-S360 PolarHBondContact O-N 3.46Å; N358-S360 PolarHBondContact O-OG 2.96Å
361H42.3Very low38.4Very low263 Ų263158.3 Ų158.3100%1.21883%0.827SS**  trans-123.30158.8-92.7-57.6000109.2

Retrieved 361 of 361 residues in 166.5 ms (Link to these results)

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