A0A3Q0KR34_SCHMA Loading...

Putative ring finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KR34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 497 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
1M42.6Very low56.6Low235 Ų235162.5 Ų162.5100%1.15883%0.829SS**  0107.90-81.3169.2151.800108.1
2P61Low56.7Low125 Ų125156.4 Ų156.481%0.81282%0.822SS**  trans-87.8133.8171.829.2-19.6000110.5
3F47.1Very low56.7Low211 Ų211151.3 Ų151.393%0.92580%0.803SS**  trans-61.9126.6-179.2-102.3-109.9000112.3
4Y61.3Low56.5Low209 Ų209143.9 Ų143.982%0.8278%0.781SS**  trans-86.6112.8161.3-93.7-95.7000108.8
5G69Low56.9Low56 Ų56145.5 Ų145.558%0.57778%0.777SS**  trans-77.7162.7167.100000111.9Q7G5-Q7 PolarHBondContact O-N 3.46Å
6P61.1Low57.1Low126 Ų126145.2 Ų145.282%0.81878%0.776SS**  trans-67.1130.7-168.827.3-32.5000111.6C8P6-C8 PolarHBondContact O-N 3.31Å
7Q56.2Low57.1Low167 Ų167145.1 Ų145.178%0.7877%0.767SS**  trans-71.2105.4173.6-69.3-178-2.100109.3G5 E9G5-Q7 PolarHBondContact O-N 3.46Å; Q7-E9 PolarHBondContact O-N 3.42Å
8C54.5Low57Low108 Ų108143.7 Ų143.773%0.7376%0.755SS**  trans-72.1103.2164.9-64.70000108.5P6 H10P6-C8 PolarHBondContact O-N 3.31Å; C8-H10 VanDerWaalsContact C-N 3.33Å; C8-H10 PolarHBondContact O-N 3.39Å
9E54.4Low57.2Low176 Ų176141.5 Ų141.582%0.82274%0.743SS**  trans-6690.4167.1-69.2-176.3173.800109.7Q7 K11Q7-E9 PolarHBondContact O-N 3.42Å; E9-K11 PolarHBondContact O-N 3.15Å
10H53.7Low57.3Low180 Ų180141 Ų14183%0.83374%0.736SS**  trans-70.797.8165-95.9-72.9000109C8 A12C8-H10 VanDerWaalsContact C-N 3.33Å; C8-H10 PolarHBondContact O-N 3.39Å; H10-A12 PolarHBondContact O-N 3.21Å; H10-A12 VanDerWaalsContact O-N 3.15Å
11K61.5Low57.4Low195 Ų195138.4 Ų138.485%0.84873%0.727SS**  trans-56.2115.9160.3-88.6178.8176.6175.50108.3E9E9-K11 PolarHBondContact O-N 3.15Å
12A58Low58.3Low89 Ų89134 Ų13474%0.73670%0.703SS**PPolyproline II helixtrans-58.9136.817300000109.9H10 G14H10-A12 PolarHBondContact O-N 3.21Å; H10-A12 VanDerWaalsContact O-N 3.15Å; A12-G14 PolarHBondContact O-N 3.13Å
13P56.3Low58.2Low90 Ų90133.9 Ų133.958%0.58469%0.692SS**PPolyproline II helixtrans-63134.1178.225.2-31.6000110.1
14G55Low58.9Low47 Ų47128.5 Ų128.549%0.48567%0.672SS.*PPolyproline II helixtrans-57144.5177.500000111.7A12 D16 K17A12-G14 PolarHBondContact O-N 3.13Å; G14-D16 PolarHBondContact O-N 3.48Å; G14-K17 PolarHBondContact O-N 3.13Å
15K61.4Low58.8Low168 Ų168124.1 Ų124.173%0.7366%0.659SS**THydrogen-bonded Turntrans-52.7-24.9-174.3-65.6-177.8177.8-177.10113.7K17 Q18K15-K17 VanDerWaalsContact C-N 3.27Å; K15-K17 PolarHBondContact O-N 3.47Å; K15-Q18 PolarHBondContact O-N 3Å
16D60.5Low58.4Low141 Ų141128.3 Ų128.375%0.75466%0.661SS**Hα-helixtrans-72.1-22.1-178.8-47.6-24.1000112.4G14G14-D16 PolarHBondContact O-N 3.48Å
17K57.3Low58.2Low144 Ų144127.7 Ų127.763%0.62665%0.651SS**Hα-helixtrans-89-13.7173.4-66.2-170.3177.6-1700113.6G14 K15 V21G14-K17 PolarHBondContact O-N 3.13Å; K15-K17 VanDerWaalsContact C-N 3.27Å; K15-K17 PolarHBondContact O-N 3.47Å; K17-V21 VanDerWaalsContact O-CG2 3.26Å; K17-V21 WeakPolarHBondContact O-CG2 3.24Å; K17-V21 PolarHBondContact O-N 3.21Å
18Q55.7Low58.3Low119 Ų119123.6 Ų123.656%0.55663%0.634SS**Hα-helixtrans-73.2-34.7175.9-90.3178.7-13.100111.7K15 V21 E22K15-Q18 PolarHBondContact O-N 3Å; Q18-V21 PolarHBondContact O-N 3.3Å; Q18-E22 VanDerWaalsContact O-CB 3.32Å; Q18-E22 WeakPolarHBondContact O-CB 3.39Å; Q18-E22 PolarHBondContact O-N 2.66Å
19I59.5Low58.2Low102 Ų102122.3 Ų122.352%0.52362%0.619SS.*Hα-helixtrans-68.1-41.1-180-60.4170.4000110.6V21 E22 E23I19-V21 PolarHBondContact O-N 2.83Å; I19-E22 PolarHBondContact O-N 3.04Å; I19-E23 WeakPolarHBondContact O-CB 3.41Å; I19-E23 PolarHBondContact O-N 2.93Å
20E59.5Low58.2Low131 Ų131118.7 Ų118.761%0.61261%0.605SS**Hα-helixtrans-68.4-36.1178.7-154174-157.300111.8I24E20-I24 HydrophobicContact CG-CD1 4.4Å; E20-I24 WeakPolarHBondContact O-CB 3.08Å; E20-I24 VanDerWaalsContact O-CD1 3.3Å; E20-I24 WeakPolarHBondContact O-CD1 3.37Å; E20-I24 WeakPolarHBondContact O-CG1 3.12Å; E20-I24 PolarHBondContact O-N 2.66Å; E20-I24 VanDerWaalsContact O-N 3.08Å
21V60.5Low58.1Low87 Ų87115.9 Ų115.953%0.52760%0.597SS.*Hα-helixtrans-71.1-37174.9175.90000111.5K17 Q18 I19 Q25K17-V21 VanDerWaalsContact O-CG2 3.26Å; K17-V21 WeakPolarHBondContact O-CG2 3.24Å; K17-V21 PolarHBondContact O-N 3.21Å; Q18-V21 PolarHBondContact O-N 3.3Å; I19-V21 PolarHBondContact O-N 2.83Å; V21-Q25 VanDerWaalsContact O-CB 3.25Å; V21-Q25 WeakPolarHBondContact O-CB 3.47Å; V21-Q25 PolarHBondContact O-N 3.24Å
22E60.5Low57.7Low142 Ų142112.7 Ų112.766%0.66459%0.585SS**Hα-helixtrans-72.5-35.1179-161.3171.5-164.300112.1Q18 I19 Q25 K26Q18-E22 VanDerWaalsContact O-CB 3.32Å; Q18-E22 WeakPolarHBondContact O-CB 3.39Å; Q18-E22 PolarHBondContact O-N 2.66Å; I19-E22 PolarHBondContact O-N 3.04Å; E22-Q25 PolarHBondContact O-N 3.07Å; E22-K26 VanDerWaalsContact O-CB 3.26Å; E22-K26 WeakPolarHBondContact O-CB 3.24Å; E22-K26 PolarHBondContact O-N 3.34Å
23E60.2Low57.4Low124 Ų124113.6 Ų113.658%0.57958%0.577SS**Hα-helixtrans-69.6-40.4172.6-77.9-173.7166.100112.6I19 Q25 K26 N27I19-E23 WeakPolarHBondContact O-CB 3.41Å; I19-E23 PolarHBondContact O-N 2.93Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-K26 PolarHBondContact O-N 3.05Å; E23-N27 PolarHBondContact O-N 3.03Å
24I59.9Low57.3Low98 Ų98114 Ų11450%0.50358%0.575SS.*Hα-helixtrans-63.8-42.6173.8-67.8165.2000110.1E20 K26 N27 I28E20-I24 HydrophobicContact CG-CD1 4.4Å; E20-I24 WeakPolarHBondContact O-CB 3.08Å; E20-I24 VanDerWaalsContact O-CD1 3.3Å; E20-I24 WeakPolarHBondContact O-CD1 3.37Å; E20-I24 WeakPolarHBondContact O-CG1 3.12Å; E20-I24 PolarHBondContact O-N 2.66Å; E20-I24 VanDerWaalsContact O-N 3.08Å; I24-K26 PolarHBondContact O-N 3.27Å; I24-N27 PolarHBondContact O-N 3.47Å; I24-I28 HydrophobicContact CG2-CD1 3.71Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.44Å
25Q60.5Low57.1Low116 Ų116118.5 Ų118.554%0.54258%0.583SS.*Hα-helixtrans-70.1-31.4179.8-166154.114.200112.8V21 E22 E23 N29V21-Q25 VanDerWaalsContact O-CB 3.25Å; V21-Q25 WeakPolarHBondContact O-CB 3.47Å; V21-Q25 PolarHBondContact O-N 3.24Å; E22-Q25 PolarHBondContact O-N 3.07Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; Q25-N29 WeakPolarHBondContact O-CB 3.29Å; Q25-N29 PolarHBondContact O-N 3.42Å; Q25-N29 PolarHBondContact O-ND2 3.43Å; Q25-N29 VanDerWaalsContact O-ND2 3.09Å
26K59.6Low56.5Low145 Ų145112 Ų11263%0.6356%0.564SS**Hα-helixtrans-72.5-31.8174.7-165175.7-177.4-178.30112.8E22 E23 I24 N30E22-K26 VanDerWaalsContact O-CB 3.26Å; E22-K26 WeakPolarHBondContact O-CB 3.24Å; E22-K26 PolarHBondContact O-N 3.34Å; E23-K26 PolarHBondContact O-N 3.05Å; I24-K26 PolarHBondContact O-N 3.27Å; K26-N30 PolarHBondContact O-ND2 3.35Å
27N57.1Low55.8Low113 Ų113110.3 Ų110.360%0.60455%0.55SS*.Hα-helixtrans-76.7-37.2175.2-76.8-11.9000112.6E23 I24 N29 N30 D31E23-N27 PolarHBondContact O-N 3.03Å; I24-N27 PolarHBondContact O-N 3.47Å; N27-N29 PolarHBondContact O-N 2.93Å; N27-N30 PolarHBondContact O-N 2.87Å; N27-D31 PolarHBondContact O-N 3.23Å
28I57.8Low55.5Low81 Ų81108.9 Ų108.942%0.41555%0.548SS..Hα-helixtrans-64.4-41.4175.1-66.3165000111I24 N30 D31 E32I24-I28 HydrophobicContact CG2-CD1 3.71Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.44Å; I28-N30 PolarHBondContact O-N 2.87Å; I28-D31 PolarHBondContact O-N 3.28Å; I28-E32 HydrophobicContact CG2-CG 4.24Å; I28-E32 PolarHBondContact O-N 2.96Å; I28-E32 VanDerWaalsContact O-N 3.14Å
29N53.5Low55.3Low81 Ų81108 Ų10843%0.43355%0.546SS..Hα-helixtrans-68.9-17.6179.9-73-25.9000114Q25 N27 N33Q25-N29 WeakPolarHBondContact O-CB 3.29Å; Q25-N29 PolarHBondContact O-N 3.42Å; Q25-N29 PolarHBondContact O-ND2 3.43Å; Q25-N29 VanDerWaalsContact O-ND2 3.09Å; N27-N29 PolarHBondContact O-N 2.93Å; N29-N33 VanDerWaalsContact O-CG 3.26Å; N29-N33 PolarHBondContact O-ND2 2.91Å
30N55.1Low55Low99 Ų99110.4 Ų110.453%0.52955%0.553SS.*Hα-helixtrans-91.5-28.2179-79.5-23.6000113.2K26 N27 I28K26-N30 PolarHBondContact O-ND2 3.35Å; N27-N30 PolarHBondContact O-N 2.87Å; I28-N30 PolarHBondContact O-N 2.87Å
31D51.9Low54.9Low122 Ų122111 Ų11165%0.65255%0.55SS*.Hα-helixtrans-86.4-34.3176-92.7-26.1000113.1N27 I28 N33 N34 E35N27-D31 PolarHBondContact O-N 3.23Å; I28-D31 PolarHBondContact O-N 3.28Å; D31-N33 PolarHBondContact O-N 3.47Å; D31-N34 PolarHBondContact O-N 2.81Å; D31-E35 PolarHBondContact O-N 2.98Å
32E51.8Low54.9Low128 Ų128109.8 Ų109.860%0.59855%0.545SS*.Hα-helixtrans-68.6-22.7177.2-72.3-170.7170.100113.4I28 N34 G36I28-E32 HydrophobicContact CG2-CG 4.24Å; I28-E32 PolarHBondContact O-N 2.96Å; I28-E32 VanDerWaalsContact O-N 3.14Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 3.35Å; E32-G36 PolarHBondContact O-N 3.44Å
33N52.1Low55.2Low107 Ų107106.9 Ų106.957%0.57254%0.536SS*.Hα-helixtrans-73.3-22.6177.2-80.9-26.4000113.1N29 D31 F37N29-N33 VanDerWaalsContact O-CG 3.26Å; N29-N33 PolarHBondContact O-ND2 2.91Å; D31-N33 PolarHBondContact O-N 3.47Å; N33-F37 WeakPolarHBondContact O-CB 3.31Å; N33-F37 PolarHBondContact O-N 3.25Å
34N53.4Low55.7Low100 Ų100105.8 Ų105.854%0.53554%0.535SS..Hα-helixtrans-88.3-43.3178.4-70.8-31.7000111.1D31 E32 I38D31-N34 PolarHBondContact O-N 2.81Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 3.35Å; N34-I38 WeakPolarHBondContact O-CB 3.33Å; N34-I38 WeakPolarHBondContact O-CD1 3.44Å; N34-I38 WeakPolarHBondContact O-CG1 3.36Å; N34-I38 PolarHBondContact O-N 2.98Å
35E51.7Low56.3Low141 Ų141110 Ų11066%0.65954%0.544SS*.Hα-helixtrans-71.9-43.3177.8-62.3-164.7168.300112D31 F37 I38 I39D31-E35 PolarHBondContact O-N 2.98Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 PolarHBondContact O-N 3.48Å; E35-I38 PolarHBondContact O-N 3.27Å; E35-I39 WeakPolarHBondContact O-CB 3.43Å; E35-I39 WeakPolarHBondContact O-CD1 3.43Å; E35-I39 WeakPolarHBondContact O-CG1 3.38Å; E35-I39 PolarHBondContact O-N 2.88Å
36G48.4Very low57.2Low32 Ų32107 Ų10733%0.3354%0.539SS..Hα-helixtrans-64.1-30.1175.800000113.4E32 K40E32-G36 PolarHBondContact O-N 3.44Å; G36-K40 WeakPolarHBondContact O-CB 3.39Å; G36-K40 VanDerWaalsContact O-CG 3.26Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 2.88Å
37F45.3Very low58.3Low104 Ų104106 Ų10646%0.45654%0.538SS..Hα-helixtrans-81.9-32.4176.7-166.7-113.8000112.9N33 E35 R41N33-F37 WeakPolarHBondContact O-CB 3.31Å; N33-F37 PolarHBondContact O-N 3.25Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 PolarHBondContact O-N 3.48Å; F37-R41 VanDerWaalsContact CE1-NE 3.33Å; F37-R41 VanDerWaalsContact CE1-NH1 3.33Å; F37-R41 WeakPolarHBondContact O-CB 3.2Å; F37-R41 WeakPolarHBondContact O-CG 3.42Å; F37-R41 PolarHBondContact O-N 2.93Å
38I51.1Low59.6Low115 Ų115104.5 Ų104.559%0.5953%0.533SS*.Hα-helixtrans-68.2-40.6170.9-68163.8000110.4N34 E35 R41 S42N34-I38 WeakPolarHBondContact O-CB 3.33Å; N34-I38 WeakPolarHBondContact O-CD1 3.44Å; N34-I38 WeakPolarHBondContact O-CG1 3.36Å; N34-I38 PolarHBondContact O-N 2.98Å; E35-I38 PolarHBondContact O-N 3.27Å; I38-R41 PolarHBondContact O-N 2.82Å; I38-S42 WeakPolarHBondContact O-CB 3.32Å; I38-S42 PolarHBondContact O-N 3.42Å; I38-S42 PolarHBondContact O-OG 3.13Å
39I51.4Low60.9Low100 Ų100105.7 Ų105.751%0.51354%0.54SS..Hα-helixtrans-69.5-41.2176.9-62.5162.8000111E35 R41 S42 V43E35-I39 WeakPolarHBondContact O-CB 3.43Å; E35-I39 WeakPolarHBondContact O-CD1 3.43Å; E35-I39 WeakPolarHBondContact O-CG1 3.38Å; E35-I39 PolarHBondContact O-N 2.88Å; I39-R41 PolarHBondContact O-N 2.93Å; I39-S42 WeakPolarHBondContact CA-OG 3.35Å; I39-S42 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-OG 2.8Å; I39-V43 WeakPolarHBondContact O-CG2 3.49Å; I39-V43 PolarHBondContact O-N 3.34Å
40K53.9Low62.6Low152 Ų152106 Ų10666%0.66155%0.545SS*.Hα-helixtrans-63.8-40.3173.6-78.1176.1179.4178.10112.3G36 S42 V43 D44G36-K40 WeakPolarHBondContact O-CB 3.39Å; G36-K40 VanDerWaalsContact O-CG 3.26Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 2.88Å; K40-S42 PolarHBondContact O-N 3.46Å; K40-V43 PolarHBondContact O-N 2.98Å; K40-D44 PolarHBondContact O-N 3.1Å
41R56.4Low64.2Low145 Ų145103.5 Ų103.555%0.54754%0.538SS..Hα-helixtrans-67.7-30.3174.1-81.4179.8170.7168.8-2.1113.5F37 I38 I39 R45F37-R41 VanDerWaalsContact CE1-NE 3.33Å; F37-R41 VanDerWaalsContact CE1-NH1 3.33Å; F37-R41 WeakPolarHBondContact O-CB 3.2Å; F37-R41 WeakPolarHBondContact O-CG 3.42Å; F37-R41 PolarHBondContact O-N 2.93Å; I38-R41 PolarHBondContact O-N 2.82Å; I39-R41 PolarHBondContact O-N 2.93Å; R41-R45 WeakPolarHBondContact O-CB 3.44Å; R41-R45 VanDerWaalsContact O-CG 3.25Å; R41-R45 WeakPolarHBondContact O-CG 3.38Å; R41-R45 PolarHBondContact O-N 3.09Å
42S61.1Low66Low61 Ų61102.8 Ų102.843%0.42753%0.534SS..Hα-helixtrans-75.8-36177.870.30000112I38 I39 K40 R45 A46I38-S42 WeakPolarHBondContact O-CB 3.32Å; I38-S42 PolarHBondContact O-N 3.42Å; I38-S42 PolarHBondContact O-OG 3.13Å; I39-S42 WeakPolarHBondContact CA-OG 3.35Å; I39-S42 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-OG 2.8Å; K40-S42 PolarHBondContact O-N 3.46Å; S42-R45 PolarHBondContact O-N 3.37Å; S42-A46 WeakPolarHBondContact O-CB 3.32Å; S42-A46 PolarHBondContact O-N 3.06Å
43V67.6Low67.9Low80 Ų80101.1 Ų101.149%0.48553%0.528SS..Hα-helixtrans-65.9-42.7174.7174.90000111.4I39 K40 R45 A46 M47I39-V43 WeakPolarHBondContact O-CG2 3.49Å; I39-V43 PolarHBondContact O-N 3.34Å; K40-V43 PolarHBondContact O-N 2.98Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R45 PolarHBondContact O-N 2.83Å; V43-A46 PolarHBondContact O-N 3.4Å; V43-M47 WeakPolarHBondContact O-CB 3.46Å; V43-M47 PolarHBondContact O-N 3.47Å
44D69.7Low69.7Low102 Ų102102.8 Ų102.855%0.54553%0.53SS..Hα-helixtrans-65.2-36.9175.4-76.7-18.9000112.2K40 T48K40-D44 PolarHBondContact O-N 3.1Å; D44-T48 WeakPolarHBondContact O-CB 3.33Å; D44-T48 WeakPolarHBondContact O-CG2 3.44Å; D44-T48 PolarHBondContact O-N 3.08Å; D44-T48 PolarHBondContact O-OG1 2.91Å
45R73.4Confident71.5Confident187 Ų187101.9 Ų101.971%0.70653%0.525SS*.Hα-helixtrans-67.2-39.3173.7-75.9177-178.1-163.21.1112.4R41 S42 V43 T48 L49R41-R45 WeakPolarHBondContact O-CB 3.44Å; R41-R45 VanDerWaalsContact O-CG 3.25Å; R41-R45 WeakPolarHBondContact O-CG 3.38Å; R41-R45 PolarHBondContact O-N 3.09Å; S42-R45 PolarHBondContact O-N 3.37Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R45 PolarHBondContact O-N 2.83Å; R45-T48 WeakPolarHBondContact CA-OG1 3.37Å; R45-T48 PolarHBondContact O-OG1 3.13Å; R45-L49 VanDerWaalsContact O-CB 3.31Å; R45-L49 WeakPolarHBondContact O-CB 3.32Å; R45-L49 PolarHBondContact O-N 2.92Å
46A79Confident73.5Confident53 Ų5399.7 Ų99.744%0.43852%0.52SS..Hα-helixtrans-67.3-41.7176.400000111.4S42 V43 L49 T50S42-A46 WeakPolarHBondContact O-CB 3.32Å; S42-A46 PolarHBondContact O-N 3.06Å; V43-A46 PolarHBondContact O-N 3.4Å; A46-L49 PolarHBondContact O-N 2.96Å; A46-T50 WeakPolarHBondContact O-CG2 3.34Å; A46-T50 PolarHBondContact O-N 3.28Å; A46-T50 PolarHBondContact O-OG1 2.98Å
47M83Confident75.6Confident122 Ų122102.5 Ų102.560%0.60153%0.531SS*.Hα-helixtrans-65.1-40.5177.2-173.4-177.2-69.300112.1V43 T50 A51V43-M47 WeakPolarHBondContact O-CB 3.46Å; V43-M47 PolarHBondContact O-N 3.47Å; M47-T50 PolarHBondContact O-OG1 3.23Å; M47-A51 WeakPolarHBondContact O-CB 3.5Å; M47-A51 PolarHBondContact O-N 3.4Å
48T83.4Confident77.8Confident82 Ų82100.3 Ų100.350%0.50353%0.526SS..Hα-helixtrans-69.7-36.6175.848.30000112.1D44 R45 A51 L52D44-T48 WeakPolarHBondContact O-CB 3.33Å; D44-T48 WeakPolarHBondContact O-CG2 3.44Å; D44-T48 PolarHBondContact O-N 3.08Å; D44-T48 PolarHBondContact O-OG1 2.91Å; R45-T48 WeakPolarHBondContact CA-OG1 3.37Å; R45-T48 PolarHBondContact O-OG1 3.13Å; T48-A51 PolarHBondContact O-N 2.94Å; T48-L52 WeakPolarHBondContact O-CG 3.21Å; T48-L52 PolarHBondContact O-N 3.24Å
49L86.2Confident79.7Confident107 Ų107101.9 Ų101.956%0.5653%0.529SS*.Hα-helixtrans-63.2-46.4174.5-170.782.1000111.7R45 A46 A51 L52 I53R45-L49 VanDerWaalsContact O-CB 3.31Å; R45-L49 WeakPolarHBondContact O-CB 3.32Å; R45-L49 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 2.96Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 3.32Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-I53 HydrophobicContact CD2-CD1 4.39Å; L49-I53 HydrophobicContact CG-CD1 4.11Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.15Å
50T88.6Confident81.7Confident87 Ų87102 Ų10253%0.53453%0.53SS..Hα-helixtrans-66-37.4177.954.50000111.7A46 M47 I53 F54A46-T50 WeakPolarHBondContact O-CG2 3.34Å; A46-T50 PolarHBondContact O-N 3.28Å; A46-T50 PolarHBondContact O-OG1 2.98Å; M47-T50 PolarHBondContact O-OG1 3.23Å; T50-I53 PolarHBondContact O-N 3.2Å; T50-F54 WeakPolarHBondContact O-CB 3.29Å; T50-F54 PolarHBondContact O-N 3.03Å
51A88.3Confident83.6Confident47 Ų4796.5 Ų96.539%0.38852%0.517SS..Hα-helixtrans-61.5-43.5172.300000112.1M47 T48 L49 F54 I55M47-A51 WeakPolarHBondContact O-CB 3.5Å; M47-A51 PolarHBondContact O-N 3.4Å; T48-A51 PolarHBondContact O-N 2.94Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 3.32Å; A51-F54 PolarHBondContact O-N 2.97Å; A51-I55 WeakPolarHBondContact O-CD1 3.27Å; A51-I55 VanDerWaalsContact O-CG1 3.24Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 3.36Å
52L89.8Confident85.3Confident107 Ų10795.6 Ų95.656%0.5652%0.52SS*.Hα-helixtrans-64.3-42.6176-76.1173000112.4T48 L49 F54 I55 V56T48-L52 WeakPolarHBondContact O-CG 3.21Å; T48-L52 PolarHBondContact O-N 3.24Å; L49-L52 PolarHBondContact O-N 3.34Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 3.23Å; L52-I55 PolarHBondContact O-N 3.08Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 2.93Å
53I91.5Very high86.8Confident93 Ų9398.4 Ų98.448%0.47753%0.53SS..Hα-helixtrans-61.1-43.9175.4-67.7164.3000110.1L49 T50 I55 V56 V57L49-I53 HydrophobicContact CD2-CD1 4.39Å; L49-I53 HydrophobicContact CG-CD1 4.11Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.15Å; T50-I53 PolarHBondContact O-N 3.2Å; I53-I55 VanDerWaalsContact C-N 3.34Å; I53-I55 PolarHBondContact O-N 2.77Å; I53-V56 PolarHBondContact O-N 2.81Å; I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.08Å
54F91.2Very high88Confident142 Ų14299.4 Ų99.462%0.62353%0.532SS*.Hα-helixtrans-62-41.5177.6-170.3-97.6000112T50 A51 L52 V57 T58T50-F54 WeakPolarHBondContact O-CB 3.29Å; T50-F54 PolarHBondContact O-N 3.03Å; A51-F54 PolarHBondContact O-N 2.97Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 3.23Å; F54-V57 PolarHBondContact O-N 3.11Å; F54-T58 HydrophobicContact CD1-CG2 4.01Å; F54-T58 HydrophobicContact CE1-CG2 3.67Å; F54-T58 HydrophobicContact CE2-CG2 4.44Å; F54-T58 HydrophobicContact CZ-CG2 3.91Å; F54-T58 WeakPolarHBondContact O-CB 3.49Å; F54-T58 VanDerWaalsContact O-CG2 3.29Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.84Å
55I91.3Very high89Confident81 Ų8198.7 Ų98.742%0.41553%0.527SS..Hα-helixtrans-60.7-47.8174-69.1164.1000110.5A51 L52 I53 V57 T58 F59A51-I55 WeakPolarHBondContact O-CD1 3.27Å; A51-I55 VanDerWaalsContact O-CG1 3.24Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 3.36Å; L52-I55 PolarHBondContact O-N 3.08Å; I53-I55 VanDerWaalsContact C-N 3.34Å; I53-I55 PolarHBondContact O-N 2.77Å; I55-V57 PolarHBondContact O-N 3.4Å; I55-T58 WeakPolarHBondContact CA-OG1 3.33Å; I55-T58 PolarHBondContact O-N 3.21Å; I55-T58 PolarHBondContact O-OG1 2.98Å; I55-F59 HydrophobicContact CG2-CD2 3.59Å; I55-F59 HydrophobicContact CG2-CE2 3.67Å; I55-F59 VanDerWaalsContact O-CD2 3.27Å; I55-F59 WeakPolarHBondContact O-CD2 3.37Å; I55-F59 PolarHBondContact O-N 3.45Å
56V92.1Very high89.9Confident94 Ų9492.3 Ų92.357%0.5752%0.515SS*.Hα-helixtrans-62.3-44.7179.5173.30000111.6L52 I53 F59 L60L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 2.93Å; I53-V56 PolarHBondContact O-N 2.81Å; V56-F59 PolarHBondContact O-N 3.46Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 PolarHBondContact O-N 3.28Å
57V92.8Very high90.4Very high91 Ų9197 Ų9755%0.55252%0.521SS*.Hα-helixtrans-65.2-40.7179172.50000111.4I53 F54 I55 L60 G61I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.08Å; F54-V57 PolarHBondContact O-N 3.11Å; I55-V57 PolarHBondContact O-N 3.4Å; V57-L60 PolarHBondContact O-N 3Å; V57-G61 PolarHBondContact O-N 2.88Å
58T91.8Very high90.8Very high58 Ų5897.2 Ų97.236%0.35652%0.516SS..Hα-helixtrans-67.3-42.117748.40000112.1F54 I55 L60 G61 M62F54-T58 HydrophobicContact CD1-CG2 4.01Å; F54-T58 HydrophobicContact CE1-CG2 3.67Å; F54-T58 HydrophobicContact CE2-CG2 4.44Å; F54-T58 HydrophobicContact CZ-CG2 3.91Å; F54-T58 WeakPolarHBondContact O-CB 3.49Å; F54-T58 VanDerWaalsContact O-CG2 3.29Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.84Å; I55-T58 WeakPolarHBondContact CA-OG1 3.33Å; I55-T58 PolarHBondContact O-N 3.21Å; I55-T58 PolarHBondContact O-OG1 2.98Å; T58-L60 PolarHBondContact O-N 3Å; T58-G61 PolarHBondContact O-N 3.17Å; T58-M62 WeakPolarHBondContact O-CB 3.48Å; T58-M62 WeakPolarHBondContact O-CG 3.39Å; T58-M62 PolarHBondContact O-N 2.88Å
59F91.4Very high90.9Very high149 Ų14996.7 Ų96.765%0.65451%0.509SS*.Hα-helixtrans-62.1-42.3173-89.8-74.5000112.1I55 V56 M62 L63I55-F59 HydrophobicContact CG2-CD2 3.59Å; I55-F59 HydrophobicContact CG2-CE2 3.67Å; I55-F59 VanDerWaalsContact O-CD2 3.27Å; I55-F59 WeakPolarHBondContact O-CD2 3.37Å; I55-F59 PolarHBondContact O-N 3.45Å; V56-F59 PolarHBondContact O-N 3.46Å; F59-M62 PolarHBondContact O-N 2.99Å; F59-L63 WeakPolarHBondContact O-CB 3.4Å; F59-L63 PolarHBondContact O-N 3.03Å
60L92.7Very high90.9Very high102 Ų10294.4 Ų94.453%0.53450%0.503SS..Hα-helixtrans-65.5-41177.7-155.174.6000111.5V56 V57 T58 L63 I64V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 PolarHBondContact O-N 3.28Å; V57-L60 PolarHBondContact O-N 3Å; T58-L60 PolarHBondContact O-N 3Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-I64 HydrophobicContact CG-CD1 4.35Å; L60-I64 WeakPolarHBondContact O-CD1 3.42Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 2.8Å
61G93.6Very high90.5Very high37 Ų3797.2 Ų97.238%0.38150%0.503SS..Hα-helixtrans-62.1-45174.600000112.7V57 T58 I64 L65V57-G61 PolarHBondContact O-N 2.88Å; T58-G61 PolarHBondContact O-N 3.17Å; G61-I64 PolarHBondContact O-N 3.18Å; G61-L65 WeakPolarHBondContact O-CB 3.38Å; G61-L65 PolarHBondContact O-N 3.29Å
62M91.8Very high90.1Very high126 Ų126102 Ų10262%0.62151%0.511SS*.Hα-helixtrans-65.6-37.5175.5-71.8-65-74.100112.1T58 F59 L65 A66T58-M62 WeakPolarHBondContact O-CB 3.48Å; T58-M62 WeakPolarHBondContact O-CG 3.39Å; T58-M62 PolarHBondContact O-N 2.88Å; F59-M62 PolarHBondContact O-N 2.99Å; M62-L65 PolarHBondContact O-N 3.4Å; M62-L65 HydrophobicContact SD-CD2 4.45Å; M62-A66 VanDerWaalsContact O-CB 3.26Å; M62-A66 WeakPolarHBondContact O-CB 3.48Å; M62-A66 PolarHBondContact O-N 3.3Å
63L93Very high89.4Confident120 Ų120104.3 Ų104.363%0.62851%0.512SS*.Hα-helixtrans-64.5-45.1175.9-164.191.1000111.3F59 L60 A66 W67F59-L63 WeakPolarHBondContact O-CB 3.4Å; F59-L63 PolarHBondContact O-N 3.03Å; L60-L63 PolarHBondContact O-N 2.91Å; L63-A66 PolarHBondContact O-N 3.34Å; L63-W67 VanDerWaalsContact O-CB 3.29Å; L63-W67 WeakPolarHBondContact O-CB 3.27Å; L63-W67 PolarHBondContact O-N 3.38Å
64I92.7Very high88.5Confident101 Ų101108.9 Ų108.952%0.51852%0.524SS..Hα-helixtrans-64.6-41.4176.3-67.2163.9000110.4L60 G61 W67 Y68L60-I64 HydrophobicContact CG-CD1 4.35Å; L60-I64 WeakPolarHBondContact O-CD1 3.42Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 2.8Å; G61-I64 PolarHBondContact O-N 3.18Å; I64-W67 PolarHBondContact O-N 3Å; I64-Y68 VanDerWaalsContact O-CB 3.26Å; I64-Y68 WeakPolarHBondContact O-CB 3.43Å; I64-Y68 PolarHBondContact O-N 2.73Å
65L92.2Very high87.5Confident87 Ų87108.9 Ų108.946%0.45552%0.524SS..Hα-helixtrans-64.5-44.8176.8-17563.9000111.6G61 M62 W67 Y68 I69G61-L65 WeakPolarHBondContact O-CB 3.38Å; G61-L65 PolarHBondContact O-N 3.29Å; M62-L65 PolarHBondContact O-N 3.4Å; M62-L65 HydrophobicContact SD-CD2 4.45Å; L65-W67 VanDerWaalsContact C-N 3.34Å; L65-W67 PolarHBondContact O-N 2.91Å; L65-Y68 PolarHBondContact O-N 3.4Å; L65-I69 HydrophobicContact CD1-CD1 4.21Å; L65-I69 HydrophobicContact CD1-CG1 4.5Å; L65-I69 HydrophobicContact CG-CD1 3.96Å; L65-I69 WeakPolarHBondContact O-CB 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.15Å; L65-I69 PolarHBondContact O-N 3.36Å
66A90.9Very high86.4Confident53 Ų53108.9 Ų108.944%0.43852%0.524SS..Hα-helixtrans-62.7-41.1175.500000111.6M62 L63 S70M62-A66 VanDerWaalsContact O-CB 3.26Å; M62-A66 WeakPolarHBondContact O-CB 3.48Å; M62-A66 PolarHBondContact O-N 3.3Å; L63-A66 PolarHBondContact O-N 3.34Å; A66-S70 VanDerWaalsContact O-CB 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.17Å; A66-S70 PolarHBondContact O-N 3.2Å; A66-S70 PolarHBondContact O-OG 3.37Å
67W90.5Very high85.2Confident152 Ų152111 Ų11158%0.57652%0.523SS*.Hα-helixtrans-64.4-44174.5-179.580000111.8L63 I64 L65 S70 R71L63-W67 VanDerWaalsContact O-CB 3.29Å; L63-W67 WeakPolarHBondContact O-CB 3.27Å; L63-W67 PolarHBondContact O-N 3.38Å; I64-W67 PolarHBondContact O-N 3Å; L65-W67 VanDerWaalsContact C-N 3.34Å; L65-W67 PolarHBondContact O-N 2.91Å; W67-S70 PolarHBondContact O-N 3.31Å; W67-R71 VanDerWaalsContact CH2-NH1 3.25Å; W67-R71 WeakPolarHBondContact O-CB 3.43Å; W67-R71 PolarHBondContact O-N 3.04Å
68Y90.8Very high84Confident125 Ų125109.4 Ų109.449%0.4952%0.519SS..Hα-helixtrans-62.7-47177.3179.3-98.5000111.8I64 L65 S70 R71 R72I64-Y68 VanDerWaalsContact O-CB 3.26Å; I64-Y68 WeakPolarHBondContact O-CB 3.43Å; I64-Y68 PolarHBondContact O-N 2.73Å; L65-Y68 PolarHBondContact O-N 3.4Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 3.16Å; Y68-R71 PolarHBondContact O-N 3.1Å; Y68-R72 WeakPolarHBondContact O-CB 3.16Å; Y68-R72 PolarHBondContact O-N 3.31Å
69I86.5Confident82.9Confident71 Ų71114.9 Ų114.936%0.36453%0.533SS..Hα-helixtrans-62.7-41175.5-66.2165.8000110.3L65 R72 R73L65-I69 HydrophobicContact CD1-CD1 4.21Å; L65-I69 HydrophobicContact CD1-CG1 4.5Å; L65-I69 HydrophobicContact CG-CD1 3.96Å; L65-I69 WeakPolarHBondContact O-CB 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.15Å; L65-I69 PolarHBondContact O-N 3.36Å; I69-R72 PolarHBondContact O-N 2.98Å; I69-R73 HydrophobicContact CG2-CG 4.28Å; I69-R73 WeakPolarHBondContact O-CB 3.23Å; I69-R73 VanDerWaalsContact O-CG 3.27Å; I69-R73 WeakPolarHBondContact O-CG 3.31Å; I69-R73 PolarHBondContact O-N 3.34Å
70S85.4Confident81.9Confident60 Ų60112.6 Ų112.642%0.4252%0.521SS..Hα-helixtrans-63.3-44.3177-62.50000111.9A66 W67 Y68 R73 R74A66-S70 VanDerWaalsContact O-CB 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.17Å; A66-S70 PolarHBondContact O-N 3.2Å; A66-S70 PolarHBondContact O-OG 3.37Å; W67-S70 PolarHBondContact O-N 3.31Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 3.16Å; S70-R73 PolarHBondContact O-N 3.49Å; S70-R74 WeakPolarHBondContact O-CG 3.22Å; S70-R74 PolarHBondContact O-N 2.92Å; S70-R74 VanDerWaalsContact O-N 3.1Å
71R80Confident80.9Confident146 Ų146115.2 Ų115.255%0.55152%0.523SS*.Hα-helixtrans-66.3-39.6177.3-168.7171.3-174.41590.4111.6W67 Y68 R74W67-R71 VanDerWaalsContact CH2-NH1 3.25Å; W67-R71 WeakPolarHBondContact O-CB 3.43Å; W67-R71 PolarHBondContact O-N 3.04Å; Y68-R71 PolarHBondContact O-N 3.1Å; R71-R74 PolarHBondContact O-N 3.42Å
72R81.1Confident79.9Confident148 Ų148120.4 Ų120.456%0.55854%0.536SS*.Hα-helixtrans-64.9-46.4175-171170.7-179.6170.6-0.7111.4Y68 I69 R74 K75 D76Y68-R72 WeakPolarHBondContact O-CB 3.16Å; Y68-R72 PolarHBondContact O-N 3.31Å; I69-R72 PolarHBondContact O-N 2.98Å; R72-R74 VanDerWaalsContact C-N 3.29Å; R72-R74 PolarHBondContact O-N 3.42Å; R72-K75 WeakPolarHBondContact O-CB 3.13Å; R72-K75 PolarHBondContact O-N 3.49Å; R72-D76 PolarHBondContact O-N 3.05Å
73R73.7Confident78.9Confident154 Ų154119.4 Ų119.458%0.58153%0.531SS*.Hα-helixtrans-57.9-38.1176.2-77.1-178-176.5-166.22.5112.2I69 S70 K75 D76 Y77I69-R73 HydrophobicContact CG2-CG 4.28Å; I69-R73 WeakPolarHBondContact O-CB 3.23Å; I69-R73 VanDerWaalsContact O-CG 3.27Å; I69-R73 WeakPolarHBondContact O-CG 3.31Å; I69-R73 PolarHBondContact O-N 3.34Å; S70-R73 PolarHBondContact O-N 3.49Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 3.33Å; R73-D76 PolarHBondContact O-N 2.84Å; R73-D76 VanDerWaalsContact O-N 3.15Å; R73-Y77 HydrophobicContact CB-CD2 4.2Å; R73-Y77 HydrophobicContact CB-CE2 4.38Å; R73-Y77 WeakPolarHBondContact O-CB 3.49Å; R73-Y77 VanDerWaalsContact O-CD2 3.25Å; R73-Y77 WeakPolarHBondContact O-CD2 3.3Å; R73-Y77 PolarHBondContact O-N 3.09Å
74R72.2Confident77.8Confident190 Ų190115.5 Ų115.572%0.71751%0.512SS*.Hα-helixtrans-59.4-38.2175.8-70.8-176.6-161176.53.7112.7S70 R71 R72 A78S70-R74 WeakPolarHBondContact O-CG 3.22Å; S70-R74 PolarHBondContact O-N 2.92Å; S70-R74 VanDerWaalsContact O-N 3.1Å; R71-R74 PolarHBondContact O-N 3.42Å; R72-R74 VanDerWaalsContact C-N 3.29Å; R72-R74 PolarHBondContact O-N 3.42Å; R74-A78 PolarHBondContact O-N 3.01Å
75K70.6Confident76.6Confident142 Ų142115.1 Ų115.162%0.61751%0.508SS*.Hα-helixtrans-65.8-41.9175.3-64.4-170.4176.4-168.70111.3R72 R73 R79R72-K75 WeakPolarHBondContact O-CB 3.13Å; R72-K75 PolarHBondContact O-N 3.49Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 3.33Å; K75-R79 PolarHBondContact O-N 3.38Å
76D69Low75.4Confident81 Ų81116.6 Ų116.643%0.43352%0.516SS..Hα-helixtrans-70.9-39.4179.5-63.3-35.8000112.2R72 R73 A78 R79 W80R72-D76 PolarHBondContact O-N 3.05Å; R73-D76 PolarHBondContact O-N 2.84Å; R73-D76 VanDerWaalsContact O-N 3.15Å; D76-A78 PolarHBondContact O-N 3.06Å; D76-R79 PolarHBondContact O-N 2.81Å; D76-W80 VanDerWaalsContact O-CB 3.31Å; D76-W80 WeakPolarHBondContact O-CB 3.44Å; D76-W80 PolarHBondContact O-N 2.81Å
77Y67Low74.2Confident138 Ų138116.7 Ų116.754%0.54152%0.516SS..Hα-helixtrans-62.9-39.9176.1-93-76.5000112.5R73 W80 R81R73-Y77 HydrophobicContact CB-CD2 4.2Å; R73-Y77 HydrophobicContact CB-CE2 4.38Å; R73-Y77 WeakPolarHBondContact O-CB 3.49Å; R73-Y77 VanDerWaalsContact O-CD2 3.25Å; R73-Y77 WeakPolarHBondContact O-CD2 3.3Å; R73-Y77 PolarHBondContact O-N 3.09Å; Y77-W80 PolarHBondContact O-N 3.35Å; Y77-R81 WeakPolarHBondContact O-CB 3.27Å; Y77-R81 PolarHBondContact O-N 3.18Å
78A66.9Low72.9Confident57 Ų57115.4 Ų115.447%0.47152%0.518SS..Hα-helixtrans-65.4-39.3177.200000112R74 D76 K82R74-A78 PolarHBondContact O-N 3.01Å; D76-A78 PolarHBondContact O-N 3.06Å; A78-K82 PolarHBondContact O-N 3.48Å
79R68Low71.8Confident173 Ų173116 Ų11665%0.65352%0.523SS*.Hα-helixtrans-70.4-39.9176-164.5177-172.7-170.71.2111.4K75 D76 K82 M83K75-R79 PolarHBondContact O-N 3.38Å; D76-R79 PolarHBondContact O-N 2.81Å; R79-K82 PolarHBondContact O-N 3.24Å; R79-M83 HydrophobicContact CG-CE 4.12Å; R79-M83 WeakPolarHBondContact O-CG 3.34Å; R79-M83 PolarHBondContact O-N 2.91Å
80W71.1Confident70.5Confident102 Ų102116 Ų11639%0.38653%0.529SS..Hα-helixtrans-65-43.6176.6-172.681.4000111.8D76 Y77 K82 M83 T84 P404D76-W80 VanDerWaalsContact O-CB 3.31Å; D76-W80 WeakPolarHBondContact O-CB 3.44Å; D76-W80 PolarHBondContact O-N 2.81Å; Y77-W80 PolarHBondContact O-N 3.35Å; W80-K82 VanDerWaalsContact C-N 3.3Å; W80-K82 PolarHBondContact O-N 2.99Å; W80-M83 PolarHBondContact O-N 2.92Å; W80-M83 VanDerWaalsContact O-N 3.09Å; W80-T84 HydrophobicContact CD2-CG2 3.73Å; W80-T84 VanDerWaalsContact CE2-CG2 3.45Å; W80-T84 HydrophobicContact CE3-CG2 4.03Å; W80-T84 HydrophobicContact CG-CG2 4.39Å; W80-T84 HydrophobicContact CH2-CG2 3.87Å; W80-T84 HydrophobicContact CZ2-CG2 3.54Å; W80-T84 HydrophobicContact CZ3-CG2 4.09Å; W80-T84 WeakPolarHBondContact O-CG2 3.44Å; W80-T84 PolarHBondContact O-N 2.71Å; W80-T84 PolarHBondContact O-OG1 3.41Å; W80-T84 VanDerWaalsContact O-OG1 3.1Å; W80-P404 HydrophobicContact CZ2-CG 4.18Å
81R72.1Confident69.1Low156 Ų156115.5 Ų115.559%0.58953%0.526SS*.Hα-helixtrans-54.7-44.4172.7-110.4-155.7-165.8175.96112Y77 M83 T84 E85Y77-R81 WeakPolarHBondContact O-CB 3.27Å; Y77-R81 PolarHBondContact O-N 3.18Å; R81-M83 PolarHBondContact O-N 2.94Å; R81-T84 WeakPolarHBondContact CA-OG1 3.25Å; R81-T84 PolarHBondContact O-N 3.19Å; R81-T84 PolarHBondContact O-OG1 3.02Å; R81-E85 WeakPolarHBondContact O-CB 3.49Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.45Å
82K73.3Confident68Low147 Ų147114.1 Ų114.164%0.63953%0.528SS*.Hα-helixtrans-64.1-40.8177.2-72.1-177.5179.8-177.10112.1A78 R79 W80 L86A78-K82 PolarHBondContact O-N 3.48Å; R79-K82 PolarHBondContact O-N 3.24Å; W80-K82 VanDerWaalsContact C-N 3.3Å; W80-K82 PolarHBondContact O-N 2.99Å; K82-L86 WeakPolarHBondContact O-CB 3.25Å; K82-L86 WeakPolarHBondContact O-CG 3.43Å; K82-L86 PolarHBondContact O-N 3.45Å
83M70.6Confident66.7Low105 Ų105113.6 Ų113.652%0.51753%0.53SS..Hα-helixtrans-68.6-39.6177.4-71.9177.9178.100112.3R79 W80 R81 L86 A87R79-M83 HydrophobicContact CG-CE 4.12Å; R79-M83 WeakPolarHBondContact O-CG 3.34Å; R79-M83 PolarHBondContact O-N 2.91Å; W80-M83 PolarHBondContact O-N 2.92Å; W80-M83 VanDerWaalsContact O-N 3.09Å; R81-M83 PolarHBondContact O-N 2.94Å; M83-L86 PolarHBondContact O-N 3.2Å; M83-A87 WeakPolarHBondContact O-CB 3.34Å; M83-A87 PolarHBondContact O-N 3.21Å
84T68.9Low65.6Low37 Ų37111.4 Ų111.423%0.22753%0.526CS..Hα-helixtrans-71.2-38.4178.252.40000112.2W80 R81 A87 M88W80-T84 HydrophobicContact CD2-CG2 3.73Å; W80-T84 VanDerWaalsContact CE2-CG2 3.45Å; W80-T84 HydrophobicContact CE3-CG2 4.03Å; W80-T84 HydrophobicContact CG-CG2 4.39Å; W80-T84 HydrophobicContact CH2-CG2 3.87Å; W80-T84 HydrophobicContact CZ2-CG2 3.54Å; W80-T84 HydrophobicContact CZ3-CG2 4.09Å; W80-T84 WeakPolarHBondContact O-CG2 3.44Å; W80-T84 PolarHBondContact O-N 2.71Å; W80-T84 PolarHBondContact O-OG1 3.41Å; W80-T84 VanDerWaalsContact O-OG1 3.1Å; R81-T84 WeakPolarHBondContact CA-OG1 3.25Å; R81-T84 PolarHBondContact O-N 3.19Å; R81-T84 PolarHBondContact O-OG1 3.02Å; T84-A87 PolarHBondContact O-N 3.15Å; T84-M88 WeakPolarHBondContact O-CB 3.42Å; T84-M88 WeakPolarHBondContact O-CG 3.34Å; T84-M88 PolarHBondContact O-N 3.08Å
85E68Low64.6Low93 Ų93109.7 Ų109.744%0.43552%0.524SS..Hα-helixtrans-62.6-41.5171.7-76.9178.1-157.400112.1R81 K89R81-E85 WeakPolarHBondContact O-CB 3.49Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.45Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 VanDerWaalsContact O-CG 3.27Å; E85-K89 WeakPolarHBondContact O-CG 3.26Å; E85-K89 PolarHBondContact O-N 2.89Å
86L67.5Low63.7Low119 Ų119105.4 Ų105.462%0.62351%0.512SS*.Hα-helixtrans-66.1-40.3175.4-74.1171.1000111.9K82 M83 K89 S90K82-L86 WeakPolarHBondContact O-CB 3.25Å; K82-L86 WeakPolarHBondContact O-CG 3.43Å; K82-L86 PolarHBondContact O-N 3.45Å; M83-L86 PolarHBondContact O-N 3.2Å; L86-K89 PolarHBondContact O-N 2.89Å; L86-S90 WeakPolarHBondContact O-CB 3.29Å; L86-S90 PolarHBondContact O-N 3.05Å; L86-S90 PolarHBondContact O-OG 2.96Å
87A65.8Low62.8Low54 Ų54105.3 Ų105.345%0.44651%0.512SS..Hα-helixtrans-68.3-37.8176.900000112.5M83 T84 S90 S91M83-A87 WeakPolarHBondContact O-CB 3.34Å; M83-A87 PolarHBondContact O-N 3.21Å; T84-A87 PolarHBondContact O-N 3.15Å; A87-S90 WeakPolarHBondContact CA-OG 3.27Å; A87-S90 PolarHBondContact O-OG 3Å; A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 3.4Å; A87-S91 PolarHBondContact O-N 3.25Å; A87-S91 PolarHBondContact O-OG 3.26Å
88M63.5Low62.1Low126 Ų126104.1 Ų104.162%0.62151%0.509SS*.Hα-helixtrans-65.6-46.2173.5-75.7-175-17800110.8T84 S90 S91 I92T84-M88 WeakPolarHBondContact O-CB 3.42Å; T84-M88 WeakPolarHBondContact O-CG 3.34Å; T84-M88 PolarHBondContact O-N 3.08Å; M88-S90 PolarHBondContact O-N 3.32Å; M88-S91 PolarHBondContact O-N 3.26Å; M88-S91 PolarHBondContact O-OG 3.15Å; M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 2.84Å
89K67.2Low61.1Low137 Ų137108.1 Ų108.160%0.59652%0.518SS*.Hα-helixtrans-62.3-39.7177-74.2172.1-179.71730112.6E85 L86 K93E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 VanDerWaalsContact O-CG 3.27Å; E85-K89 WeakPolarHBondContact O-CG 3.26Å; E85-K89 PolarHBondContact O-N 2.89Å; L86-K89 PolarHBondContact O-N 2.89Å; K89-K93 PolarHBondContact O-N 2.84Å
90S59.4Low60Low71 Ų71103.2 Ų103.250%0.49751%0.507SS..Hα-helixtrans-68.9-39.217667.40000112L86 A87 M88 I92 K93 E94L86-S90 WeakPolarHBondContact O-CB 3.29Å; L86-S90 PolarHBondContact O-N 3.05Å; L86-S90 PolarHBondContact O-OG 2.96Å; A87-S90 WeakPolarHBondContact CA-OG 3.27Å; A87-S90 PolarHBondContact O-OG 3Å; M88-S90 PolarHBondContact O-N 3.32Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-I92 PolarHBondContact O-N 3.39Å; S90-K93 PolarHBondContact O-N 3.3Å; S90-E94 PolarHBondContact O-N 3.47Å
91S56Low58.7Low49 Ų49104.5 Ų104.534%0.34352%0.518SS..Hα-helixtrans-67.4-29.3178.376.80000113.6A87 M88 K95A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 3.4Å; A87-S91 PolarHBondContact O-N 3.25Å; A87-S91 PolarHBondContact O-OG 3.26Å; M88-S91 PolarHBondContact O-N 3.26Å; M88-S91 PolarHBondContact O-OG 3.15Å; S91-K95 WeakPolarHBondContact O-CG 3.5Å; S91-K95 PolarHBondContact O-N 3.29Å
92I55.4Low57.4Low117 Ų117103.4 Ų103.460%0.652%0.522SS*.Hα-helixtrans-73.6-39.8174.7-67165000110.1M88 S90 K95 S96M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 2.84Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-I92 PolarHBondContact O-N 3.39Å; I92-K95 PolarHBondContact O-N 3.33Å; I92-S96 PolarHBondContact O-N 3.47Å; I92-S96 PolarHBondContact O-OG 2.87Å
93K54.2Low55.9Low138 Ų138100.5 Ų100.560%0.652%0.517SS*.Hα-helixtrans-69.8-37.6177.7-163.9175.5-179.5-174.50112.8K89 S90 K95 S96 D97K89-K93 PolarHBondContact O-N 2.84Å; S90-K93 PolarHBondContact O-N 3.3Å; K93-K95 VanDerWaalsContact C-N 3.33Å; K93-K95 PolarHBondContact O-N 2.84Å; K93-S96 WeakPolarHBondContact CA-OG 3.24Å; K93-S96 PolarHBondContact O-N 3.49Å; K93-S96 PolarHBondContact O-OG 3.34Å; K93-D97 WeakPolarHBondContact O-CB 3.26Å; K93-D97 VanDerWaalsContact O-CG 3.25Å; K93-D97 PolarHBondContact O-N 2.99Å
94E50.6Low54.6Low108 Ų108103.2 Ų103.251%0.50553%0.526SS..Hα-helixtrans-69.2-32.2176.4-163.1-172.8157.800112.3S90 K98S90-E94 PolarHBondContact O-N 3.47Å; E94-K98 HydrophobicContact CG-CD 4.35Å; E94-K98 WeakPolarHBondContact O-CB 3.5Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; E94-K98 PolarHBondContact O-N 3.06Å; E94-K98 VanDerWaalsContact O-N 3.07Å; E94-K98 WeakPolarHBondContact OE1-CE 3.25Å; E94-K98 IonicContact OE1-NZ 2.66Å; E94-K98 PolarHBondContact OE1-NZ 2.77Å
95K51.4Low53.4Low153 Ų153108.1 Ų108.167%0.66555%0.551SS**Hα-helixtrans-74.5-35.4173.4-73.7178.2-178.6179.30112.5S91 I92 K93 Q99S91-K95 WeakPolarHBondContact O-CG 3.5Å; S91-K95 PolarHBondContact O-N 3.29Å; I92-K95 PolarHBondContact O-N 3.33Å; K93-K95 VanDerWaalsContact C-N 3.33Å; K93-K95 PolarHBondContact O-N 2.84Å; K95-Q99 VanDerWaalsContact O-CB 3.24Å; K95-Q99 WeakPolarHBondContact O-CB 3.38Å; K95-Q99 PolarHBondContact O-N 3.47Å
96S52Low52.1Low52 Ų52111.8 Ų111.836%0.36457%0.568SS.*Hα-helixtrans-67.4-42.317363.20000111.3I92 K93 Q99 T100I92-S96 PolarHBondContact O-N 3.47Å; I92-S96 PolarHBondContact O-OG 2.87Å; K93-S96 WeakPolarHBondContact CA-OG 3.24Å; K93-S96 PolarHBondContact O-N 3.49Å; K93-S96 PolarHBondContact O-OG 3.34Å; S96-Q99 PolarHBondContact O-N 3.15Å; S96-T100 PolarHBondContact O-N 3.44Å; S96-T100 PolarHBondContact O-OG1 3.27Å
97D51.1Low50.9Low80 Ų80112.7 Ų112.743%0.42857%0.572SS.*Hα-helixtrans-71.2-33.5-177.5-69.2-9.6000111.8K93 T100 Q101K93-D97 WeakPolarHBondContact O-CB 3.26Å; K93-D97 VanDerWaalsContact O-CG 3.25Å; K93-D97 PolarHBondContact O-N 2.99Å; D97-T100 WeakPolarHBondContact CA-OG1 3.34Å; D97-T100 PolarHBondContact O-OG1 2.84Å; D97-Q101 WeakPolarHBondContact O-CB 3.38Å; D97-Q101 PolarHBondContact O-N 3.21Å
98K51.6Low49.6Very low113 Ų113118 Ų11849%0.49159%0.593SS.*Hα-helixtrans-73.4-31.9171-72.8173175.9172.30112.8E94 I102E94-K98 HydrophobicContact CG-CD 4.35Å; E94-K98 WeakPolarHBondContact O-CB 3.5Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; E94-K98 PolarHBondContact O-N 3.06Å; E94-K98 VanDerWaalsContact O-N 3.07Å; E94-K98 WeakPolarHBondContact OE1-CE 3.25Å; E94-K98 IonicContact OE1-NZ 2.66Å; E94-K98 PolarHBondContact OE1-NZ 2.77Å; K98-I102 WeakPolarHBondContact O-CB 3.29Å; K98-I102 VanDerWaalsContact O-CD1 3.24Å; K98-I102 WeakPolarHBondContact O-CD1 3.33Å; K98-I102 WeakPolarHBondContact O-CG1 3.37Å; K98-I102 PolarHBondContact O-N 2.83Å; K98-I102 VanDerWaalsContact O-N 3.13Å
99Q45.1Very low48.5Very low141 Ų141121.6 Ų121.666%0.65961%0.608SS**Hα-helixtrans-76.5-34.3176.7-170.716513.600112.4K95 S96 T103K95-Q99 VanDerWaalsContact O-CB 3.24Å; K95-Q99 WeakPolarHBondContact O-CB 3.38Å; K95-Q99 PolarHBondContact O-N 3.47Å; S96-Q99 PolarHBondContact O-N 3.15Å; Q99-T103 WeakPolarHBondContact O-CB 3.33Å; Q99-T103 PolarHBondContact O-N 2.79Å; Q99-T103 PolarHBondContact O-OG1 3.34Å
100T46.1Very low47.3Very low69 Ų69123.9 Ų123.942%0.42362%0.618SS.*Hα-helixtrans-76.1-36.3172.545.70000112S96 D97 I102 T103 F104S96-T100 PolarHBondContact O-N 3.44Å; S96-T100 PolarHBondContact O-OG1 3.27Å; D97-T100 WeakPolarHBondContact CA-OG1 3.34Å; D97-T100 PolarHBondContact O-OG1 2.84Å; T100-I102 PolarHBondContact O-N 3.18Å; T100-T103 PolarHBondContact O-N 3.04Å; T100-T103 VanDerWaalsContact O-N 3.13Å; T100-F104 WeakPolarHBondContact O-CD2 3.39Å; T100-F104 PolarHBondContact O-N 3.27Å
101Q43.3Very low46.1Very low130 Ų130127.9 Ų127.961%0.60763%0.629SS**Hα-helixtrans-69.3-32.5176.9-160.2161.731.300112.5D97 T103D97-Q101 WeakPolarHBondContact O-CB 3.38Å; D97-Q101 PolarHBondContact O-N 3.21Å; Q101-T103 VanDerWaalsContact C-N 3.31Å; Q101-T103 PolarHBondContact O-N 3.2Å
102I44.2Very low45.1Very low132 Ų132132 Ų13268%0.67765%0.652SS**Hα-helixtrans-74.9-19.8172.3-65.1166.3000112.4K98 T100K98-I102 WeakPolarHBondContact O-CB 3.29Å; K98-I102 VanDerWaalsContact O-CD1 3.24Å; K98-I102 WeakPolarHBondContact O-CD1 3.33Å; K98-I102 WeakPolarHBondContact O-CG1 3.37Å; K98-I102 PolarHBondContact O-N 2.83Å; K98-I102 VanDerWaalsContact O-N 3.13Å; T100-I102 PolarHBondContact O-N 3.18Å
103T42.3Very low44.2Very low86 Ų86131.1 Ų131.153%0.52866%0.657SS.*Hα-helixtrans-95.7-17.7-178.8-50.80000113.1Q99 T100 Q101Q99-T103 WeakPolarHBondContact O-CB 3.33Å; Q99-T103 PolarHBondContact O-N 2.79Å; Q99-T103 PolarHBondContact O-OG1 3.34Å; T100-T103 PolarHBondContact O-N 3.04Å; T100-T103 VanDerWaalsContact O-N 3.13Å; Q101-T103 VanDerWaalsContact C-N 3.31Å; Q101-T103 PolarHBondContact O-N 3.2Å
104F43.6Very low43.2Very low163 Ų163129.6 Ų129.672%0.71566%0.664SS**Hα-helixtrans-95.3-19.7177.9-88.3-82.8000114.6T100 H106T100-F104 WeakPolarHBondContact O-CD2 3.39Å; T100-F104 PolarHBondContact O-N 3.27Å; F104-H106 VanDerWaalsContact C-N 3.28Å; F104-H106 PolarHBondContact O-N 3.08Å
105D42.5Very low42.4Very low140 Ų140131.8 Ų131.875%0.74968%0.678SS**THydrogen-bonded Turntrans-85.37177.6-72.6-16.6000113.8
106H42.7Very low41.6Very low170 Ų170132 Ų13279%0.78769%0.686SS**THydrogen-bonded Turntrans-115.314.6-177.4-141-28.9000114.7F104F104-H106 VanDerWaalsContact C-N 3.28Å; F104-H106 PolarHBondContact O-N 3.08Å
107L40.8Very low41Very low138 Ų138139.5 Ų139.572%0.72371%0.713SS**SBendtrans-134.646.6-170.4-106.5155.6000112.2
108D38.5Very low40.2Very low165 Ų165141.1 Ų141.188%0.88273%0.73SS**  trans-170.358.2162.9-98.6-22.2000112.2
109E40.6Very low39.3Very low201 Ų201142.5 Ų142.594%0.93974%0.741SS**  trans-134.986.1162.8-77.1-167.3167.100110.3
110K41.7Very low39Very low185 Ų185143.6 Ų143.680%0.80475%0.746SS**  trans-84.7116.9163.3-158.9178.7-175.9-174.60107.2
111E34.2Very low38.6Very low155 Ų155145.2 Ų145.272%0.72476%0.76SS**SBendtrans64.199161.2-65.2165.8-156.200116.5
112T36.2Very low38.4Very low135 Ų135147.1 Ų147.183%0.82877%0.773SS**  -177.5142.1128.432.40000111.1
113S35.2Very low38.2Very low100 Ų100147.6 Ų147.670%0.69978%0.777SS**  trans58.9102.5162.954.30000117.6
114S35Very low38Very low106 Ų106149.8 Ų149.874%0.74179%0.786SS**  41.8135.473.880.10000115.1
115L32.2Very low37.7Very low154 Ų154149 Ų14981%0.80679%0.789SS**  trans79.987.2174.1-82.2133.6000118.1
116N34.8Very low37.7Very low157 Ų157147.9 Ų147.984%0.8479%0.793SS**  -171.682.8115-90.3-24.4000110.2S118N116-S118 PolarHBondContact O-N 2.87Å
117K39Very low37.7Very low210 Ų210146.6 Ų146.691%0.91379%0.787SS**  trans-78.7105.4166.1-91.4-178176.8178.80109.1
118S34.9Very low37.7Very low113 Ų113147.6 Ų147.679%0.7979%0.786SS**  trans14.1104.4139.3-167.40000116.6N116 H120N116-S118 PolarHBondContact O-N 2.87Å; S118-H120 PolarHBondContact O-N 3.24Å
119I33.7Very low37.8Very low143 Ų143145.2 Ų145.273%0.73377%0.773SS**  trans-69.1117.3156.1-61.9167.8000106.6
120H37.4Very low37.8Very low164 Ų164142.8 Ų142.876%0.75977%0.766SS**  trans167129.8135-86.1-59.4000111.2S118S118-H120 PolarHBondContact O-N 3.24Å
121S37.4Very low37.5Very low103 Ų103137.9 Ų137.972%0.7277%0.768SS**  trans64.8105.115972.70000118.4
122L39.5Very low37.7Very low169 Ų169138.5 Ų138.589%0.88578%0.776SS**  -170142.896.4-124.587.7000110.9
123D39.7Very low37.9Very low142 Ų142137.1 Ų137.176%0.75977%0.769SS**  trans-62.8162.4-177.2-68.7-55.9000116
124N38.6Very low38Very low133 Ų133141.2 Ų141.271%0.71178%0.778SS**  trans91.295.5145.8-62.7-31.7000119.8
125N37.7Very low38.2Very low145 Ų145142.3 Ų142.378%0.77578%0.78SS**  70.4130.9119.6-72.4-13.2000121.4
126S42.3Very low38.6Very low118 Ų118140.1 Ų140.183%0.82577%0.772SS**  trans84.1142.1151.877.80000116.7
127H42Very low38.7Very low143 Ų143138.8 Ų138.866%0.66277%0.765SS**  cis175132.4-17.4-175.535.5000103.5
128F40.2Very low38.7Very low159 Ų159134.9 Ų134.970%0.69775%0.754SS**  trans65.5151.3161.3-75.9-46.8000118.4
129D40.9Very low38.9Very low115 Ų115137.2 Ų137.262%0.61575%0.75SS**  cis-170.3149.2-19-149.2-0.3000105.7
130D41.4Very low39.1Very low150 Ų150137.6 Ų137.680%0.80275%0.749SS**  trans45.1131.9150.7-69.6-19.7000124.2
131G35.9Very low39.3Very low81 Ų81135.3 Ų135.384%0.83574%0.742SS**  trans161.698153.300000115.9
132D37.9Very low39.5Very low169 Ų169137 Ų13790%0.90474%0.742SS**  trans-51.9161.9-176.5-103.7-30.3000119
133P40Very low39.2Very low105 Ų105137.7 Ų137.768%0.68274%0.74SS**  trans-103148.517938.5-28.1000113.6
134E37Very low39.3Very low187 Ų187134.4 Ų134.487%0.87473%0.733SS**  trans-176166.9147.7-114.8-177.2-179.400111.8
135V40.1Very low39.5Very low129 Ų129136.2 Ų136.278%0.78274%0.737SS**  trans94.2127.3160.7-169.30000115.3
136V39.4Very low39.3Very low107 Ų107138.9 Ų138.965%0.64874%0.742SS**  cis-174.9153.4-4.4129.90000106.8
137N37.2Very low39.2Very low130 Ų130141.9 Ų141.970%0.69574%0.74SS**  trans13.3142151.4-47.5-28.4000121.5
138D39.5Very low38.8Very low128 Ų128142.4 Ų142.468%0.68475%0.748SS**  169.9128.291.4-102.9-32.4000113.9
139K39.7Very low38.5Very low161 Ų161139.5 Ų139.570%0.775%0.752SS**  56.3136.2129.7-81.1175.4-178.4170.10124.9
140Q38.5Very low38.1Very low152 Ų152142.4 Ų142.471%0.7176%0.76SS**  trans78.8142.2135.4-74-178.5-62.500117.1
141D41.1Very low37.9Very low115 Ų115142.2 Ų142.262%0.61576%0.764SS**  cis-177.8164.24.1-119.8-22.5000108.3
142I40.3Very low37.6Very low139 Ų139144.9 Ų144.971%0.71376%0.759SS**  trans76.1100151.8-58.2150.9000117.1
143E34.8Very low37.4Very low183 Ų183142.5 Ų142.586%0.85576%0.756SS**  76.7115.279.8-172.6174.1-158.900114.9
144A41.6Very low37.1Very low74 Ų74144 Ų14461%0.61276%0.758SS**  159.2118.6127.600000114.6
145Q42.5Very low37Very low170 Ų170142.4 Ų142.479%0.79476%0.756SS**  trans65.8108.2132.6-56.7178.944.200121.2
146F33.5Very low36.7Very low202 Ų202141.2 Ų141.289%0.88675%0.752SS**  -176.4141.993.2-121.6-95000111
147K39.4Very low36.3Very low180 Ų180144.2 Ų144.278%0.78376%0.759SS**  trans-120156.2-162.9-149.4-175.4-175.2178.50110.1
148L34.4Very low36.2Very low155 Ų155146 Ų14681%0.81276%0.76SS**  trans77139.2159.1-107.269.1000117
149A34.6Very low35.8Very low97 Ų97147.5 Ų147.580%0.80276%0.763SS**  cis-151.315223.400000113.3
150K31.5Very low35.5Very low177 Ų177145.9 Ų145.977%0.7776%0.762SS**  trans-120.5138.2-178.3175.6-175.8-170.7176.70106.7
151T36.6Very low35.1Very low145 Ų145145.2 Ų145.289%0.8976%0.764SS**  trans-157.4116.7149440000111.3
152N29.9Very low34.8Very low137 Ų137147.8 Ų147.873%0.73377%0.772SS**  trans-75.5159.1164.8-67.5-14.2000110.8
153S34.5Very low34.4Very low120 Ų120151.7 Ų151.784%0.83978%0.779SS**  trans-167116.5140.3-178.50000111.3
154D32.7Very low34.3Very low136 Ų136149 Ų14973%0.72778%0.78SS**  trans-64.3153.6167.2-57.8-60.3000112.6
155N35.6Very low33.9Very low154 Ų154152.1 Ų152.182%0.82479%0.787SS**  154.9142.3109.5-107.8-18.8000115.5
156C33.4Very low33.3Very low103 Ų103152.6 Ų152.670%0.69679%0.787SS**  trans84.292.2148-67.90000122.1
157Q31.4Very low33.3Very low170 Ų170149.9 Ų149.979%0.79478%0.782SS**  55.4131.7111.7-106.8172.2-22.300123.3
158K34.8Very low33Very low167 Ų167147.2 Ų147.273%0.72677%0.773SS**  trans101.7103.8141.2-80.2178.7173.3177.90119.9
159Q30.7Very low32.9Very low161 Ų161151.7 Ų151.775%0.75278%0.779SS**  58.3107.2117.7-96.2-177.9-16.700119.2
160N34.6Very low32.7Very low127 Ų127152.7 Ų152.768%0.67977%0.771SS**  164.3128.2102.3-81.7-17.4000111.8
161D30.3Very low32.9Very low138 Ų138153.6 Ų153.674%0.73878%0.778SS**  trans62126.5133.5-56.1-20.9000123.6
162E34.8Very low32.6Very low169 Ų169154.6 Ų154.679%0.7977%0.773SS**  trans85.8114.9142.4-71.3-174.1153.600122.3
163Y30.1Very low32.7Very low221 Ų221155.2 Ų155.287%0.86778%0.775SS**  trans43111.5141.8-71.5-89.2000119.7
164S34.3Very low32.6Very low125 Ų125154 Ų15487%0.87477%0.767SS**  -161.2138.112760.70000113.1
165D32.5Very low32.6Very low141 Ų141153.6 Ų153.675%0.75477%0.769SS**  trans-73.6153.4177-112.4-25.6000112.8
166F29.3Very low32.5Very low179 Ų179153.9 Ų153.979%0.78577%0.765SS**  trans59.7118.8151-82.9-90.8000122.2
167N34.3Very low32.2Very low146 Ų146155.1 Ų155.178%0.78177%0.765SS**  -178.7120.3125.4-104.9-6.3000109.1
168M32.3Very low32.4Very low123 Ų123153.8 Ų153.861%0.60677%0.768SS**  115125.876.7-92.8-88.4-77.300108.8
169R32.8Very low32.2Very low250 Ų250150.7 Ų150.794%0.94377%0.768SS**  trans-158.5118.4140.7-112.9173.6-165.1-171.43.3111.3
170N30.5Very low32.2Very low118 Ų118152.2 Ų152.263%0.63177%0.772SS**  trans-77160.3177.8-64.7-29.6000112.7
171E35.1Very low32.1Very low195 Ų195154.3 Ų154.391%0.91178%0.781SS**  trans-164.796.3141.3-106.4177.9-18000105.4
172E31.7Very low32.2Very low166 Ų166151.6 Ų151.678%0.77678%0.778SS**  79.713862.3-127.5-173.9-147.400115.7
173L32Very low32.1Very low151 Ų151152 Ų15279%0.79178%0.78SS**  trans79.2139.4171.1-84.679.8000118.8
174S31.1Very low32.1Very low95 Ų95147.2 Ų147.266%0.66477%0.773SS**  cis177.8164.31.6174.40000109.4
175V34.1Very low32.1Very low126 Ų126149.9 Ų149.976%0.76477%0.774SS**  trans85.494.8162.3-158.10000116
176H31.6Very low32.2Very low161 Ų161152.5 Ų152.575%0.74578%0.779SS**  cis82.3112.546.6-131.2-16000115.6
177N28.7Very low32.1Very low129 Ų129148.5 Ų148.569%0.6977%0.773SS**  trans64.8120.9145.3-74-3.3000123.1
178T34.5Very low32.1Very low141 Ų141147.9 Ų147.987%0.86578%0.775SS**  -173.792.8121.947.10000108.4
179S31.1Very low32Very low102 Ų102147.9 Ų147.971%0.71378%0.777SS**  61.310380.4175.40000117.6
180K30.4Very low31.9Very low193 Ų193144.4 Ų144.484%0.83977%0.772SS**  trans70.7157.5131.4-75-176.4172.8-177.70122.2
181I32.6Very low31.8Very low172 Ų172145.2 Ų145.288%0.88278%0.776SS**  trans108.2119.1169.8-57.4158.3000109.9
182A32.8Very low31.8Very low80 Ų80142.1 Ų142.166%0.66177%0.765SS**  cis-166.5137.22.300000105.9
183E32.5Very low31.7Very low179 Ų179141.4 Ų141.484%0.83677%0.765SS**  42136.394.6-72.9-171.9177.900114.2
184T29.6Very low31.5Very low119 Ų119139.5 Ų139.573%0.7376%0.763SS**  cis-175.7155.314.719.60000107.6
185M35.6Very low31.5Very low181 Ų181143.9 Ų143.989%0.89277%0.77SS**  trans148.6132.9145.2-85.2-168.5170.100109.8
186K34Very low31.2Very low197 Ų197145 Ų14586%0.85777%0.767SS**  cis-171.5132.5-24.2-144176.6-175.9-177.40103.8
187S27.1Very low31Very low94 Ų94143 Ų14366%0.65776%0.762SS**  trans-81.7153169.360.30000111
188T35.2Very low31Very low133 Ų133144.8 Ų144.882%0.81677%0.766SS**  trans-151.7102.4148.9440000104.5
189D29.5Very low31Very low124 Ų124148.3 Ų148.366%0.66377%0.77SS**  62.3133.275-74.8-34000114.1
190E31.1Very low31Very low176 Ų176151.1 Ų151.182%0.82278%0.777SS**  trans74.2145.3148.9-72.5169.9-170.800116.2
191L28.2Very low31.3Very low136 Ų136147.9 Ų147.971%0.71278%0.778SS**  cis170.8161.33.1-17685.2000103.3
192N35.4Very low31.3Very low129 Ų129142.6 Ų142.669%0.6977%0.766SS**  trans92.9112.7170-52.7-31.8000115.7
193I29.3Very low31.3Very low151 Ų151147.1 Ų147.177%0.77478%0.778SS**  61.8129.854.9-50.9175.8000112.2
194C28.1Very low31.2Very low111 Ų111144.3 Ų144.375%0.7577%0.773SS**  trans97.1103.3174.1-64.20000115
195K30.1Very low31.4Very low187 Ų187146.1 Ų146.181%0.81378%0.776SS**  85.3126.478.6-98.8-167.4179-172.60113.3
196E28.2Very low31.3Very low150 Ų150141.4 Ų141.470%0.70177%0.766SS**  trans101.1107.6133.3-137.3153.6-174.100120.8
197N27.9Very low31.4Very low120 Ų120136.9 Ų136.964%0.64276%0.76SS**  71.4131.8127.9-69.3-12000124.5
198Q28.9Very low31.6Very low165 Ų165139.3 Ų139.377%0.77177%0.765SS**  trans71.3120137.5-77177.715.800119.1
199F34Very low31.6Very low216 Ų216138.9 Ų138.995%0.94776%0.762SS**  -153.5112120.5-105.9-76.7000110.6
200N30Very low31.7Very low160 Ų160138.8 Ų138.886%0.85677%0.767SS**  trans-88.5146.7163.6-96.8-14.9000109.4
201S37.7Very low31.9Very low125 Ų125136.1 Ų136.187%0.87476%0.763SS**  trans153.7121.3155.4171.10000106.6
202G31.2Very low32.2Very low61 Ų61133.8 Ų133.863%0.62976%0.758SS**  cis134.9131.424.900000106.5
203I33.3Very low32.2Very low176 Ų176134 Ų13490%0.90376%0.759SS**  trans176.3138.9143.1-88.9155.3000110.5
204T30Very low32.8Very low120 Ų120132.6 Ų132.674%0.73675%0.753SS**  trans-109169.7-156.8-530000111.9
205I34.6Very low33.4Very low156 Ų156133.5 Ų133.580%0.875%0.75SS**  trans156.497.7134.4-74.5154.6000108.7
206A32.7Very low33.8Very low82 Ų82130.4 Ų130.468%0.67874%0.743SS**  64.7126.9100.900000115.2
207S36.5Very low34.2Very low103 Ų103129.7 Ų129.772%0.7274%0.742SS**  -170.5134.766.5-56.20000113.5
208N32.1Very low34.5Very low145 Ų145130.3 Ų130.378%0.77575%0.746SS**  trans38.6136132.7-41.6-14.7000119.7
209T35.3Very low34.6Very low123 Ų123127.6 Ų127.676%0.75574%0.74SS**  -173.6131.557.928.10000112.6
210T31.6Very low34.5Very low122 Ų122124 Ų12475%0.74873%0.729SS**  48.1138.5127.112.60000120.9
211T33.8Very low34.5Very low121 Ų121124.4 Ų124.474%0.74273%0.726SS**  cis-173147.623.7-250000110.2
212S34.6Very low34Very low87 Ų87127.2 Ų127.261%0.60873%0.731SS**  63.6139126.6162.20000121.1
213N36.8Very low33.9Very low132 Ų132128.7 Ų128.771%0.70673%0.731SS**  cis-176.5168.43.7-101.1-7.3000109.3
214N41.4Very low33.8Very low123 Ų123127 Ų12766%0.65872%0.724SS**  trans97.6102.8152.4-60.9-22.1000117.2
215N39.9Very low33.7Very low130 Ų130126.5 Ų126.570%0.69573%0.725SS**  92.8128.384.1-73.22.5000108.4
216D39.6Very low33.6Very low122 Ų122126.4 Ų126.465%0.65273%0.726SS**  cis-160.4134.927.2-87.7-36.3000107
217I35.8Very low33.7Very low135 Ų135128 Ų12869%0.69273%0.73SS**  61.6111.199-57.6174.5000110.8
218D35.7Very low33.6Very low133 Ų133130.6 Ų130.671%0.71173%0.734SS**  -172.8139.960.2-118.7-21.4000112
219T31.1Very low33.5Very low108 Ų108132.4 Ų132.466%0.66374%0.738SS**  trans36.8135.4136.752.80000121
220I30.2Very low33.4Very low139 Ų139134.1 Ų134.171%0.71374%0.742SS**  cis-172.5141.433.9-105.2152000108.4
221E30.7Very low33.4Very low169 Ų169136 Ų13679%0.7975%0.747SS**  trans49.8101.2150.2-62.8177160.300121.7
222L26.8Very low33.5Very low185 Ų185139.2 Ų139.297%0.96975%0.753SS**  trans-79118.5145.9-86.990.3000109.4
223S29.4Very low33.5Very low91 Ų91144.8 Ų144.864%0.63677%0.767SS**  trans-146.5133.8153.542.40000112.3
224N30.9Very low33.3Very low142 Ų142147.7 Ų147.776%0.75977%0.773SS**  trans81.792.6152.8-59.2-14.7000119.5
225S29.1Very low33Very low108 Ų108153.1 Ų153.176%0.75578%0.784SS**  trans-7117.3134.654.60000117
226N31.6Very low32.6Very low155 Ų155153.1 Ų153.183%0.82979%0.789SS**  trans-115.9111.6158.3-78.7-37.3000108.9
227P35.2Very low32.5Very low116 Ų116157.2 Ų157.275%0.75380%0.801SS**  trans-91.5115.3152.330.5-21.4000108.4E229P227-E229 PolarHBondContact O-N 2.97Å
228I34.5Very low32.2Very low156 Ų156156.2 Ų156.280%0.881%0.807SS**  trans-60.7117.1175.6-69.4167.7000109.1L230I228-L230 PolarHBondContact O-N 2.72Å
229E28.9Very low32.3Very low183 Ų183159.6 Ų159.686%0.85582%0.815SS**  trans-58.5122169.1-73.3-179.5134.100110.6P227P227-E229 PolarHBondContact O-N 2.97Å
230L33.9Very low32.3Very low160 Ų160165.2 Ų165.284%0.83882%0.824SS**  trans-119.8109.5159.8-137.898.8000110.1I228 Q232I228-L230 PolarHBondContact O-N 2.72Å; L230-Q232 PolarHBondContact O-N 3.3Å
231N31Very low32.2Very low162 Ų162166 Ų16687%0.86683%0.828SS**  trans-36106.7176.1-76.4-62.3000115.3
232Q36.8Very low32.2Very low187 Ų187162.8 Ų162.887%0.87483%0.83SS**  trans-93.7110.6155.7-76-1692.100110.3L230 K234L230-Q232 PolarHBondContact O-N 3.3Å; Q232-K234 PolarHBondContact O-N 3.19Å
233K35.1Very low32.3Very low204 Ų204159.1 Ų159.189%0.88782%0.82SS**  trans-6592.4178.2-160.3170.3-172.5171.80110R235K233-R235 PolarHBondContact O-N 3.41Å
234K31.7Very low32.3Very low194 Ų194162 Ų16284%0.84383%0.828SS**  trans-54.3113.6165.8-81.9176.7175.8173.20109.9Q232Q232-K234 PolarHBondContact O-N 3.19Å
235R35Very low32.3Very low236 Ų236159 Ų15989%0.89182%0.818SS**  trans-109.187.5159.1-111.1-177.2167.2177.3-2.5108.5K233 K237K233-R235 PolarHBondContact O-N 3.41Å; R235-K237 PolarHBondContact O-N 2.91Å
236T30.6Very low32.4Very low130 Ų130160.6 Ų160.680%0.79882%0.818SS**  trans-64.7118.4163.122.20000109.4
237K39.3Very low32.2Very low208 Ų208160.1 Ų160.190%0.90482%0.816SS**  trans-112.597.5154.3-84.1-170.6176.8-178.20108.1R235R235-K237 PolarHBondContact O-N 2.91Å
238S28.9Very low31.9Very low115 Ų115159.3 Ų159.380%0.80481%0.813SS**  trans-61.5129.9163.9175.40000109.8
239K37.9Very low31.4Very low204 Ų204159.4 Ų159.489%0.88781%0.814SS**  trans-147.2108151.3-140.3175.8-175.8-176.50110.3
240R30.8Very low31.4Very low225 Ų225157.5 Ų157.585%0.84981%0.809SS**  trans0.9116.4163.2-79.3178.3175.3-178.6-2.4118.3
241I28.7Very low31.1Very low157 Ų157156.6 Ų156.681%0.80581%0.805SS**  29.6107.6112.9-48.8169.8000115.7
242A30.5Very low30.9Very low101 Ų101154.9 Ų154.984%0.83580%0.795SS**  -148.4103.9128.800000107.8
243S28Very low30.5Very low108 Ų108153.6 Ų153.676%0.75579%0.789SS**  trans-75.5133168.243.70000109.5
244N30.2Very low30.2Very low150 Ų150148 Ų14880%0.80278%0.776SS**  trans-149.1125.5131.7-147.90.9000111.4
245S29.6Very low30Very low79 Ų79145 Ų14555%0.55277%0.773SS**  trans-67.9156.4171.8470000111.2
246N32Very low29.9Very low142 Ų142140.9 Ų140.976%0.75977%0.768SS**  -178.6105118.3-79.2-19.1000109.3
247N27.7Very low29.9Very low146 Ų146141.4 Ų141.478%0.78177%0.766SS**  15149.2120.1-61.2-6.8000116.1
248S28.9Very low29.4Very low99 Ų99143.4 Ų143.469%0.69277%0.767SS**  cis174.5130.9938.10000102.8
249L24.6Very low29.7Very low157 Ų157145.3 Ų145.382%0.82277%0.769SS**  46.6106.2104.4-120.6159.1000115.1
250L28.7Very low29.6Very low143 Ų143143.8 Ų143.875%0.74977%0.765SS**  trans145.8107.3145.8-98.2101.8000109.2
251L26.8Very low29.5Very low142 Ų142141.9 Ų141.974%0.74377%0.771SS**  61.696.680.6-157.990.8000112.1
252N27.3Very low29.8Very low125 Ų125139.4 Ų139.467%0.66876%0.763SS**  171.6139.9124.3-85.9-25.1000112.1
253Q28.2Very low29.8Very low160 Ų160141.6 Ų141.675%0.74876%0.76SS**  trans55.6131148.4-9953.449.600117.7
254S28Very low29.9Very low88 Ų88142.8 Ų142.862%0.61576%0.763SS**  cis169158.15.240.60000105.2
255V28.8Very low30.3Very low129 Ų129142.6 Ų142.678%0.78276%0.761SS**  trans79.9104.2165.9-159.50000113.1
256I31.7Very low30.5Very low151 Ų151145.8 Ų145.877%0.77477%0.772SS**  176115.7125.3-81.3149.5000108.3
257D30.4Very low30.8Very low140 Ų140145 Ų14575%0.74977%0.768SS**  trans66.9101.1154.8-60-18.9000123.1N259D257-N259 PolarHBondContact O-N 3.23Å
258R30.2Very low31.3Very low250 Ų250145.2 Ų145.294%0.94377%0.769SS**THydrogen-bonded Turntrans-61.142.3170.7-79.1-178.8169.4142.3-2.5116.3
259N34Very low31.7Very low155 Ų155147.7 Ų147.783%0.82977%0.774SS**THydrogen-bonded Turntrans-133.512.1-179.2-81.1-27.1000116.6D257D257-N259 PolarHBondContact O-N 3.23Å
260Q35.9Very low32.3Very low173 Ų173146.7 Ų146.781%0.80877%0.767SS**  trans-130.445-179.6-64.5-145.972.400114.5T262Q260-T262 PolarHBondContact O-N 2.72Å
261L29.4Very low32.7Very low185 Ų185145.1 Ų145.197%0.96976%0.759SS**  trans-79.172.1169.6-139.890.8000109.8
262T34.5Very low33.4Very low104 Ų104145.4 Ų145.464%0.63876%0.762SS**  trans-110.2122.6160.9490000107.2Q260 T264Q260-T262 PolarHBondContact O-N 2.72Å; T262-T264 VanDerWaalsContact C-N 3.34Å; T262-T264 PolarHBondContact O-N 2.89Å
263D30.1Very low34.4Very low147 Ų147147.3 Ų147.379%0.78677%0.766SS**  trans-41.586.2176.3-74.1-35.7000113.2L265D263-L265 VanDerWaalsContact C-N 3.33Å; D263-L265 PolarHBondContact O-N 3.46Å
264T30.8Very low35.2Very low133 Ų133145.1 Ų145.182%0.81676%0.756SS**  trans-90.280.1152.335.30000106.7T262 D266T262-T264 VanDerWaalsContact C-N 3.34Å; T262-T264 PolarHBondContact O-N 2.89Å; T264-D266 PolarHBondContact O-N 3.28Å
265L38.3Very low35.9Very low146 Ų146149.7 Ų149.776%0.76476%0.761SS**  trans-63.8122.2157.2-88.9157.2000106.9D263 D267D263-L265 VanDerWaalsContact C-N 3.33Å; D263-L265 PolarHBondContact O-N 3.46Å; L265-D267 PolarHBondContact O-N 3.1Å
266D34.6Very low36.6Very low146 Ų146146.3 Ų146.378%0.78175%0.747SS**  trans-51.496.9175.3-92.2-45.6000111.5T264 N268T264-D266 PolarHBondContact O-N 3.28Å; D266-N268 PolarHBondContact O-N 3.39Å
267D39Very low37.1Very low127 Ų127144.9 Ų144.968%0.67974%0.741SS**THydrogen-bonded Turntrans-76.512170.8-85.2-18.7000112.5L265L265-D267 PolarHBondContact O-N 3.1Å
268N37.9Very low37.6Very low150 Ų150143.7 Ų143.780%0.80273%0.734SS**THydrogen-bonded Turntrans-101.717.6-174.2-79-28.7000115.1D266D266-N268 PolarHBondContact O-N 3.39Å
269L36.2Very low38.2Very low151 Ų151141.4 Ų141.479%0.79173%0.725SS**  trans-122.648.9173-152.179.8000112.2
270M36.9Very low38.6Very low135 Ų135141.1 Ų141.167%0.66572%0.719SS**  trans-90.9109.1163.3-91.2-66.6-156.400109.1E274M270-E274 WeakPolarHBondContact CE-OE2 3.36Å
271N38.4Very low38.8Very low111 Ų111138.7 Ų138.759%0.59471%0.708SS**  trans-57.3133.8-178.7-71.1-29.1000111.2E273 E274N271-E273 PolarHBondContact O-N 3.44Å; N271-E274 PolarHBondContact O-N 3.29Å
272N41.5Very low39.2Very low148 Ų148135 Ų13579%0.79169%0.693SS**THydrogen-bonded Turntrans-56-3.5179.4-77.3-37.1000115.5
273E47.5Very low39.4Very low164 Ų164138.9 Ų138.977%0.76670%0.701SS**THydrogen-bonded Turntrans-79.6-26.8177-67.7179.3167.200112.6N271 Y275 A276N271-E273 PolarHBondContact O-N 3.44Å; E273-Y275 VanDerWaalsContact C-N 3.3Å; E273-Y275 PolarHBondContact O-N 3.33Å; E273-A276 PolarHBondContact O-N 2.83Å
274E45.1Very low39.8Very low114 Ų114140 Ų14053%0.53370%0.702SS.*Hα-helixtrans-80-11.1-178.6-153.6172.6-172.700113.1M270 N271M270-E274 WeakPolarHBondContact CE-OE2 3.36Å; N271-E274 PolarHBondContact O-N 3.29Å
275Y43.3Very low39.9Very low184 Ų184139.6 Ų139.672%0.72269%0.693SS**Hα-helixtrans-81-15.5172.8-96.4-87.2000113.8E273E273-Y275 VanDerWaalsContact C-N 3.3Å; E273-Y275 PolarHBondContact O-N 3.33Å
276A42.7Very low39.3Very low59 Ų59136.3 Ų136.349%0.48869%0.694SS.*Hα-helixtrans-78.6-44-17900000111.9E273 L278 R279 E280E273-A276 PolarHBondContact O-N 2.83Å; A276-L278 VanDerWaalsContact C-N 3.33Å; A276-L278 PolarHBondContact O-N 3.02Å; A276-R279 PolarHBondContact O-N 3.3Å; A276-R279 VanDerWaalsContact O-N 3.14Å; A276-E280 PolarHBondContact O-N 2.87Å
277D41.8Very low39.1Very low121 Ų121134.3 Ų134.365%0.64769%0.687SS**Hα-helixtrans-65.3-33.4-179.5-86.9-3.1000112.9R279 E280 E281D277-R279 VanDerWaalsContact C-N 3.27Å; D277-R279 PolarHBondContact O-N 2.86Å; D277-E280 PolarHBondContact O-N 3.47Å; D277-E281 PolarHBondContact O-N 3.34Å
278L41.9Very low38.6Very low115 Ų115135.4 Ų135.460%0.60269%0.693SS**Hα-helixtrans-72.4-18.8177.3-77.8159.1000113.5A276 T282A276-L278 VanDerWaalsContact C-N 3.33Å; A276-L278 PolarHBondContact O-N 3.02Å; L278-T282 PolarHBondContact O-OG1 3.41Å
279R42.3Very low38.3Very low202 Ų202133.7 Ų133.776%0.76269%0.688SS**Hα-helixtrans-94.2-13.5-179.5-130-178.4-175.1-134.91.9113.2A276 D277 T282A276-R279 PolarHBondContact O-N 3.3Å; A276-R279 VanDerWaalsContact O-N 3.14Å; D277-R279 VanDerWaalsContact C-N 3.27Å; D277-R279 PolarHBondContact O-N 2.86Å; R279-T282 PolarHBondContact O-OG1 2.83Å
280E43.3Very low37.9Very low149 Ų149133.3 Ų133.370%0.69669%0.685SS**Hα-helixtrans-90.6-35.7176.2-131.7162.7-160.600111.7A276 D277 T282 K283A276-E280 PolarHBondContact O-N 2.87Å; D277-E280 PolarHBondContact O-N 3.47Å; E280-T282 VanDerWaalsContact C-N 3.35Å; E280-T282 PolarHBondContact O-N 2.91Å; E280-K283 PolarHBondContact O-N 2.94Å
281E39.2Very low37.6Very low122 Ų122135.3 Ų135.357%0.5769%0.69SS**G310 helixtrans-74.4-18.8177.7-121.1-178.5-176.300114.2D277 K283 E284D277-E281 PolarHBondContact O-N 3.34Å; E281-K283 PolarHBondContact O-N 2.87Å; E281-E284 PolarHBondContact O-N 3.41Å
282T38.2Very low37Very low107 Ų107136.4 Ų136.466%0.65670%0.696SS**G310 helixtrans-76-4.2177.439.90000113.9L278 R279 E280L278-T282 PolarHBondContact O-OG1 3.41Å; R279-T282 PolarHBondContact O-OG1 2.83Å; E280-T282 VanDerWaalsContact C-N 3.35Å; E280-T282 PolarHBondContact O-N 2.91Å
283K39.4Very low36.5Very low185 Ų185133.8 Ų133.880%0.80469%0.689SS**G310 helixtrans-95.9-12175.3-74.5179.5179.6173.70114.4E280 E281E280-K283 PolarHBondContact O-N 2.94Å; E281-K283 PolarHBondContact O-N 2.87Å
284E37.4Very low35.4Very low172 Ų172134.4 Ų134.480%0.80469%0.692SS**THydrogen-bonded Turntrans-101.4-10.2-176.7-75.7-170.3154.200114.4E281 G286E281-E284 PolarHBondContact O-N 3.41Å; E284-G286 PolarHBondContact O-N 3.41Å
285I33.5Very low34.6Very low124 Ų124134.2 Ų134.264%0.63670%0.698SS**  trans-104.277.1177.7-42179.5000109.8V287I285-V287 HydrophobicContact CB-CG2 4.48Å; I285-V287 HydrophobicContact CG2-CG2 3.36Å; I285-V287 PolarHBondContact O-N 2.85Å
286G25.8Very low33.8Very low77 Ų77132.1 Ų132.179%0.79470%0.704SS**  trans-67.974.216500000110.9E284 N288E284-G286 PolarHBondContact O-N 3.41Å; G286-N288 PolarHBondContact O-N 3.4Å
287V30.6Very low33.1Very low103 Ų103137.6 Ų137.662%0.62472%0.72SS**  trans-75.4106.9170-173.10000107.8I285 V289I285-V287 HydrophobicContact CB-CG2 4.48Å; I285-V287 HydrophobicContact CG2-CG2 3.36Å; I285-V287 PolarHBondContact O-N 2.85Å; V287-V289 VanDerWaalsContact C-N 3.32Å; V287-V289 PolarHBondContact O-N 3.49Å
288N27.8Very low32.5Very low150 Ų150136.9 Ų136.980%0.80272%0.724SS**  trans-59.497.1164.1-84.6-14.2000108.6G286 I290G286-N288 PolarHBondContact O-N 3.4Å; N288-I290 VanDerWaalsContact C-N 3.34Å; N288-I290 PolarHBondContact O-N 3.37Å
289V30.8Very low31.7Very low114 Ų114136.5 Ų136.569%0.69173%0.731SS**  trans-67.997.3165.8178.90000106.5V287 K291V287-V289 VanDerWaalsContact C-N 3.32Å; V287-V289 PolarHBondContact O-N 3.49Å; V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 HydrophobicContact CG1-CG 4.32Å; V289-K291 PolarHBondContact O-N 2.89Å
290I29.2Very low31.2Very low143 Ų143134.8 Ų134.873%0.73374%0.737SS**  trans-62.997.1164.4-60.9174.9000105.9N288 N292N288-I290 VanDerWaalsContact C-N 3.34Å; N288-I290 PolarHBondContact O-N 3.37Å; I290-N292 PolarHBondContact O-N 3.4Å; I290-N292 VanDerWaalsContact O-N 3.08Å
291K30.8Very low30.4Very low178 Ų178137.6 Ų137.677%0.77475%0.747SS**  trans-68.898.9167.5-76.1-177.8177.3179.80107.2V289 S293V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 HydrophobicContact CG1-CG 4.32Å; V289-K291 PolarHBondContact O-N 2.89Å; K291-S293 PolarHBondContact O-N 3.37Å
292N25.9Very low30Very low133 Ų133137.2 Ų137.271%0.71176%0.758SS**  trans-71.579160.2-78.9-0.4000108.4I290 H294I290-N292 PolarHBondContact O-N 3.4Å; I290-N292 VanDerWaalsContact O-N 3.08Å; N292-H294 PolarHBondContact O-N 2.79Å
293S29.6Very low29.4Very low93 Ų93140 Ų14065%0.6577%0.769SS**  trans-80.594.3161.950.90000108K291 T295K291-S293 PolarHBondContact O-N 3.37Å; S293-T295 VanDerWaalsContact C-N 3.29Å; S293-T295 PolarHBondContact O-N 3.46Å
294H25.9Very low29.2Very low178 Ų178138.6 Ų138.682%0.82477%0.768SS**  trans-67.291.9161.6-87-78.4000108.4N292N292-H294 PolarHBondContact O-N 2.79Å
295T27.7Very low28.7Very low110 Ų110137.1 Ų137.168%0.67577%0.766SS**  trans-97.1107163-40.80000107.2S293 Q297S293-T295 VanDerWaalsContact C-N 3.29Å; S293-T295 PolarHBondContact O-N 3.46Å; T295-Q297 PolarHBondContact O-N 3.49Å; T295-Q297 VanDerWaalsContact O-N 3.08Å
296V25.6Very low28.8Very low139 Ų139138.5 Ų138.584%0.84277%0.773SS**  trans-60.1105.4167.51770000107.4
297Q29.3Very low28.9Very low175 Ų175144.8 Ų144.882%0.81877%0.773SS**  trans-126.9112.6163.1-100.9-172.31.700110.2T295T295-Q297 PolarHBondContact O-N 3.49Å; T295-Q297 VanDerWaalsContact O-N 3.08Å
298S28.2Very low29.2Very low105 Ų105146.4 Ų146.473%0.73478%0.778SS**  trans-40.9130.5169.350.20000113.2N300S298-N300 PolarHBondContact O-N 3.38Å
299S25.5Very low29.3Very low108 Ų108147.1 Ų147.176%0.75578%0.777SS**  trans-40.6124.6161.751.70000113.3
300N30.6Very low29.4Very low166 Ų166147.3 Ų147.389%0.88878%0.778SS**  trans-152.9126.8141-96.7-26.4000111.2S298S298-N300 PolarHBondContact O-N 3.38Å
301K27.5Very low29.6Very low207 Ų207147 Ų14790%0.978%0.778SS**  trans-50.9137176-74.8163.6167.3169.80112.8
302S30.6Very low29.8Very low115 Ų115145.3 Ų145.380%0.80477%0.773SS**  -171.5123.2129.654.30000112.3
303N26.8Very low30.1Very low165 Ų165145.5 Ų145.588%0.88277%0.774SS**  trans-48.4130.4164.7-76.2-36.9000112.8
304I33.6Very low30.2Very low155 Ų155150.6 Ų150.680%0.79578%0.784SS**  trans-142.1122.5142.4-60.5-174.6000108.9I306I304-I306 HydrophobicContact CG2-CG1 4.24Å
305N27.8Very low30.4Very low141 Ų141149.4 Ų149.475%0.75478%0.784SS**  trans-101128-179.4-16311.9000107.1
306I34.7Very low30.7Very low154 Ų154152.4 Ų152.479%0.7979%0.79SS**  trans-135.2106.8165.3-59.1-178.1000108.5I304I304-I306 HydrophobicContact CG2-CG1 4.24Å
307R29Very low30.8Very low208 Ų208150 Ų15079%0.78578%0.779SS**  trans-67.9157.5166.7-78.8173.6168.5164.3-5111
308N35.5Very low30.8Very low138 Ų138147.7 Ų147.774%0.73878%0.778SS**  -173.3105.7123-84.7-5.9000107.3
309E31.4Very low30.8Very low164 Ų164150.2 Ų150.277%0.76678%0.778SS**  83.9101.697-81.2-179.7164.300111.5
310V31.8Very low30.9Very low118 Ų118151.1 Ų151.172%0.71577%0.773SS**  83.3117.472.4172.60000112
311D32.9Very low30.7Very low138 Ų138147.6 Ų147.674%0.73876%0.762SS**  trans154.6140144.9-83.5-7000109
312H35.7Very low30.9Very low142 Ų142145.9 Ų145.966%0.65776%0.76SS**  cis-167.8136.5-27.1-108-50.8000104.7
313N31.4Very low30.7Very low137 Ų137147.8 Ų147.873%0.73376%0.757SS**  trans37.9124.1148.6-64.9-15.8000120.6
314F32Very low30.7Very low199 Ų199146 Ų14687%0.87375%0.747SS**  -167111.1110-109-78.2000109.7
315D30.6Very low30.5Very low154 Ų154147.6 Ų147.682%0.82475%0.751SS**  trans-109.3125.3169.2-157.13000106.3
316Q34Very low30.4Very low173 Ų173148.7 Ų148.781%0.80875%0.751SS**  trans-155.797.4162.1-121.1173.319.400110.8
317S27.3Very low30.3Very low87 Ų87150.4 Ų150.461%0.60876%0.756SS**  trans-10.4155.9145.661.40000119
318T29.4Very low30.3Very low128 Ų128146.6 Ų146.679%0.78575%0.75SS**  trans77.6115.6154.153.20000118.1
319H28.6Very low30.1Very low158 Ų158148.1 Ų148.173%0.73176%0.758SS**  139.2110.7107.9-154.9-102.4000112.7
320L27.4Very low30.2Very low126 Ų126149 Ų14966%0.6676%0.76SS**  trans61.8127.5145.3-8978.1000122.1
321S26.2Very low30Very low93 Ų93148.6 Ų148.665%0.6576%0.762SS**  trans60.1116130.1-54.60000118.3
322I32.2Very low29.7Very low170 Ų170152.8 Ų152.887%0.87277%0.769SS**  -170126.3109.8-87146.2000108.5
323E25.7Very low29.5Very low156 Ų156152.7 Ų152.773%0.72977%0.773SS**  trans-78150.3175.4159.1180-174.900110.7
324N26.6Very low29.5Very low127 Ų127151.2 Ų151.268%0.67977%0.772SS**  trans69.8113164.5-61.8-27000118.6
325Q29.8Very low29.4Very low188 Ų188149.4 Ų149.488%0.87977%0.769SS**  172133.991.6-82.2-168.3-0.300112.3
326H26.5Very low29.3Very low164 Ų164148.5 Ų148.576%0.75976%0.763SS**  trans-25133.9167.7-76.7-100.9000118.5
327H31.8Very low29Very low191 Ų191144.4 Ų144.488%0.88475%0.753SS**  -162.2123.1116.9-113.6-83.5000110.5N329H327-N329 PolarHBondContact O-N 3.36Å
328L30Very low29Very low128 Ų128147.4 Ų147.467%0.6776%0.763SS**  trans-65.6121.5-176.8-81.293.8000111.8
329N30.3Very low29.1Very low169 Ų169147.2 Ų147.290%0.90476%0.761SS**  trans-122.792.7153.3-111.1-14.6000106.9H327H327-N329 PolarHBondContact O-N 3.36Å
330K33.9Very low29.2Very low183 Ų183146.6 Ų146.680%0.79676%0.762SS**  trans-97104.2173.4-94.8-176.4175.8-1790109.2
331S28.7Very low29.2Very low109 Ų109144 Ų14476%0.76277%0.766SS**  trans-61.9135.7159.9-170.70000109.3D333S331-D333 PolarHBondContact O-N 3.32Å
332Y26.5Very low29.4Very low226 Ų226149.8 Ų149.889%0.88677%0.774SS**  trans-75.7110.4177.1-82.6-97.5000109.9
333D31.6Very low29.3Very low140 Ų140150.5 Ų150.575%0.74977%0.771SS**  trans-100.6136.6159.5-81.6-30.3000109S331 I335S331-D333 PolarHBondContact O-N 3.32Å; D333-I335 PolarHBondContact O-N 3.41Å
334P31.3Very low29.6Very low107 Ų107151.1 Ų151.170%0.69578%0.778SS**  trans-67.7125.6-179.427.3-31.6000110.4I336P334-I336 PolarHBondContact O-N 3.48Å
335I28.6Very low29.6Very low160 Ų160150.1 Ų150.182%0.82178%0.777SS**  trans-68.493179.8-62.3170.5000108.9D333D333-I335 PolarHBondContact O-N 3.41Å
336I30Very low29.7Very low135 Ų135147.7 Ų147.769%0.69277%0.77SS**  trans-85.7115166.8-63.1166.4000107.3P334P334-I336 PolarHBondContact O-N 3.48Å
337S26.4Very low29.9Very low87 Ų87147.4 Ų147.461%0.60877%0.769SS**  trans3889.9157.461.90000118.2T339S337-T339 PolarHBondContact O-N 3.29Å
338N27.5Very low30Very low150 Ų150144.9 Ų144.980%0.80276%0.762SS**  trans-77.275.3155.4-78.6-20.6000109.7I340N338-I340 PolarHBondContact O-N 3.45Å
339T32.3Very low30.1Very low124 Ų124147.5 Ų147.576%0.76176%0.764SS**  trans-57.6120.8150.326.40000106.9S337 G341S337-T339 PolarHBondContact O-N 3.29Å; T339-G341 PolarHBondContact O-N 3.17Å
340I29.4Very low30.5Very low145 Ų145143.8 Ų143.874%0.74475%0.749SS**  trans-66.581.3176.1-64170000107.7N338 R342N338-I340 PolarHBondContact O-N 3.45Å; I340-R342 HydrophobicContact CG2-CB 4.09Å; I340-R342 HydrophobicContact CG2-CG 3.67Å; I340-R342 PolarHBondContact O-N 2.92Å
341G28.5Very low30.6Very low73 Ų73140 Ų14075%0.75374%0.737SS**  trans-72.669.8160.400000108.4T339 K343T339-G341 PolarHBondContact O-N 3.17Å; G341-K343 PolarHBondContact O-N 2.82Å
342R30.8Very low30.9Very low213 Ų213138.1 Ų138.180%0.80473%0.727SS**  trans-74.1106.4165.5-91.8-179.1176.5-170.2-0.1107I340 L344I340-R342 HydrophobicContact CG2-CB 4.09Å; I340-R342 HydrophobicContact CG2-CG 3.67Å; I340-R342 PolarHBondContact O-N 2.92Å; R342-L344 PolarHBondContact O-N 3.28Å
343K28.5Very low31.3Very low186 Ų186131.2 Ų131.281%0.80971%0.709SS**  trans-42.297.3162.2-81.5178.1172.5177.80109.6G341 T345G341-K343 PolarHBondContact O-N 2.82Å; K343-T345 HydrophobicContact CB-CG2 4.25Å; K343-T345 PolarHBondContact O-N 2.95Å
344L32.3Very low31.7Very low169 Ų169129.1 Ų129.189%0.88570%0.697SS**  trans-81.264.5161.5-80.7161000107.7R342 N346R342-L344 PolarHBondContact O-N 3.28Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 3.45Å
345T27.4Very low32.2Very low106 Ų106126 Ų12665%0.6567%0.674SS**  trans-82.182.5165.747.30000107.6K343K343-T345 HydrophobicContact CB-CG2 4.25Å; K343-T345 PolarHBondContact O-N 2.95Å
346N31.1Very low32.7Very low137 Ų137120.6 Ų120.673%0.73365%0.651SS**SBendtrans175.2114.5143.3-96.5-24.2000111.8L344L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 3.45Å
347Q30.2Very low32.9Very low157 Ų157119.1 Ų119.173%0.73464%0.644SS**  trans59.9115.9135.7-58.4-174.1-8.400119.2
348N34.4Very low33.9Very low139 Ų139116.6 Ų116.674%0.74363%0.629SS**SBendtrans90.315.6143.4-64.2-9.3000122.3
349Y32.5Very low34.7Very low182 Ų182114 Ų11471%0.71461%0.614SS**  trans-136.697.7169.8-74.5-82.9000113.7I351 T353Y349-I351 PolarHBondContact O-N 3.43Å; Y349-T353 PolarHBondContact O-OG1 2.92Å
350P38.5Very low35.4Very low92 Ų92114.8 Ų114.860%0.59761%0.613SS**Hα-helixtrans-67-24177.424.4-30.9000113.2I354P350-I354 WeakPolarHBondContact O-CD1 3.44Å; P350-I354 VanDerWaalsContact O-CG1 3.29Å; P350-I354 WeakPolarHBondContact O-CG1 3.37Å
351I36.4Very low36.1Very low103 Ų103114.6 Ų114.653%0.52861%0.613SS.*Hα-helixtrans-72.9-35.3-172-58.1170.6000112Y349 L355Y349-I351 PolarHBondContact O-N 3.43Å; I351-L355 HydrophobicContact CG2-CD1 4.32Å; I351-L355 WeakPolarHBondContact O-CD1 3.31Å
352A34.6Very low36.9Very low69 Ų69117.6 Ų117.657%0.5760%0.602SS**Hα-helixtrans-74.2-31.6-177.600000112.9S356A352-S356 PolarHBondContact O-N 2.87Å
353T35.6Very low37.7Very low81 Ų81112.9 Ų112.950%0.49760%0.599SS.*Hα-helixtrans-75.4-30-179.2-19.80000112.4Y349 S356Y349-T353 PolarHBondContact O-OG1 2.92Å; T353-S356 PolarHBondContact O-OG 3.35Å
354I39.1Very low38.6Very low96 Ų96113.5 Ų113.549%0.49260%0.597SS.*Hα-helixtrans-71.4-41.3177.3-64.5164.8000109.9P350 A358 L373P350-I354 WeakPolarHBondContact O-CD1 3.44Å; P350-I354 VanDerWaalsContact O-CG1 3.29Å; P350-I354 WeakPolarHBondContact O-CG1 3.37Å; I354-A358 WeakPolarHBondContact O-CB 3.3Å; I354-A358 PolarHBondContact O-N 3.5Å; I354-L373 HydrophobicContact CG2-CD2 4.25Å
355L41.6Very low39.4Very low41 Ų41107.7 Ų107.722%0.21557%0.567CS.*Hα-helixtrans-66.1-40.2177.7-95.696.1000112.9I351 N357 I359 L373 F374I351-L355 HydrophobicContact CG2-CD1 4.32Å; I351-L355 WeakPolarHBondContact O-CD1 3.31Å; L355-N357 VanDerWaalsContact C-N 3.33Å; L355-N357 PolarHBondContact O-N 2.77Å; L355-I359 HydrophobicContact CB-CD1 3.97Å; L355-I359 HydrophobicContact CD2-CD1 3.62Å; L355-I359 HydrophobicContact CG-CD1 3.93Å; L355-I359 WeakPolarHBondContact O-CB 3.34Å; L355-I359 WeakPolarHBondContact O-CD1 3.43Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.45Å; L355-L373 HydrophobicContact CD1-CD2 3.69Å; L355-L373 HydrophobicContact CG-CD2 4.12Å; L355-F374 HydrophobicContact CD1-CE1 4.4Å; L355-F374 HydrophobicContact CD1-CZ 4.04Å; L355-F374 HydrophobicContact CD2-CE2 4.16Å; L355-F374 HydrophobicContact CD2-CZ 3.62Å; L355-F374 HydrophobicContact CG-CZ 4.47Å
356S38.5Very low40.3Very low48 Ų48106.3 Ų106.334%0.33656%0.555SS.*Hα-helixtrans-63.3-41.6-178.770.10000111.7A352 T353 L360A352-S356 PolarHBondContact O-N 2.87Å; T353-S356 PolarHBondContact O-OG 3.35Å; S356-L360 VanDerWaalsContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CB 3.35Å; S356-L360 WeakPolarHBondContact O-CD1 3.31Å; S356-L360 WeakPolarHBondContact O-CG 3.47Å; S356-L360 PolarHBondContact O-N 3.4Å
357N35.9Very low41.2Very low103 Ų103102.3 Ų102.355%0.55154%0.541SS*.Hα-helixtrans-79.8-37.7-177.3-66.2-4.9000112.1L355 D361L355-N357 VanDerWaalsContact C-N 3.33Å; L355-N357 PolarHBondContact O-N 2.77Å; N357-D361 PolarHBondContact O-N 2.93Å
358A45.9Very low42Very low35 Ų3599.4 Ų99.429%0.28953%0.531SS..Hα-helixtrans-70.3-33.9179.100000113I354 I365I354-A358 WeakPolarHBondContact O-CB 3.3Å; I354-A358 PolarHBondContact O-N 3.5Å; A358-I365 WeakPolarHBondContact O-CD1 3.4Å
359I45.3Very low42.8Very low95 Ų9596.3 Ų96.349%0.48751%0.512SS..Hα-helixtrans-84.2-32-177.7-62.8169.7000111.9L355 I365L355-I359 HydrophobicContact CB-CD1 3.97Å; L355-I359 HydrophobicContact CD2-CD1 3.62Å; L355-I359 HydrophobicContact CG-CD1 3.93Å; L355-I359 WeakPolarHBondContact O-CB 3.34Å; L355-I359 WeakPolarHBondContact O-CD1 3.43Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.45Å; I359-I365 HydrophobicContact CB-CD1 4.39Å; I359-I365 HydrophobicContact CG1-CD1 3.76Å
360L46.5Very low43.8Very low141 Ų14190.9 Ų90.974%0.73850%0.495SS*.Hα-helixtrans-74.6-29179.9-75.1166.3000113S356S356-L360 VanDerWaalsContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CB 3.35Å; S356-L360 WeakPolarHBondContact O-CD1 3.31Å; S356-L360 WeakPolarHBondContact O-CG 3.47Å; S356-L360 PolarHBondContact O-N 3.4Å
361D43.9Very low44.3Very low140 Ų14092.8 Ų92.875%0.74950%0.495SS*.SBendtrans-90.7-12.3-177.8-75.6-19.4000114.1N357N357-D361 PolarHBondContact O-N 2.93Å
362R46Very low45.1Very low137 Ų13792.6 Ų92.652%0.51750%0.499SS..  trans-113116.7-178-69.7-172.8175.1-156.6-1.6111.6Y364 I365 E369R362-Y364 PolarHBondContact O-N 3.36Å; R362-I365 HydrophobicContact CB-CD1 4.43Å; R362-I365 HydrophobicContact CB-CG1 4.05Å; R362-E369 IonicContact NH1-OE1 3.98Å; R362-E369 IonicContact NH1-OE2 3.21Å; R362-E369 PolarHBondContact NH1-OE2 2.92Å
363P47.2Very low45.8Very low114 Ų11493.3 Ų93.374%0.7449%0.493SS*.SBendtrans-67.5-15.7176.925-31.5000113.4
364Y47.9Very low46.3Very low198 Ų19894.9 Ų94.978%0.77649%0.493SS*.  trans-146.5119.3175.9-57.6-79.9000108.9R362R362-Y364 PolarHBondContact O-N 3.36Å
365I49.5Very low46.4Very low48 Ų4894.5 Ų94.525%0.24649%0.492CS..  trans-107.3130.5167.1-90.5170.7000106.9A358 I359 R362 E369 I370A358-I365 WeakPolarHBondContact O-CD1 3.4Å; I359-I365 HydrophobicContact CB-CD1 4.39Å; I359-I365 HydrophobicContact CG1-CD1 3.76Å; R362-I365 HydrophobicContact CB-CD1 4.43Å; R362-I365 HydrophobicContact CB-CG1 4.05Å; I365-E369 HydrophobicContact CG2-CB 4.35Å; I365-I370 HydrophobicContact CG2-CD1 3.71Å; I365-I370 HydrophobicContact CG2-CG1 3.26Å
366N45.5Very low46.4Very low77 Ų77101.2 Ų101.241%0.41252%0.522SS..  trans-69.9142.4176.7-171.811.8000109.8D368 E369 I370N366-D368 PolarHBondContact ND2-OD2 3.42Å; N366-D368 PolarHBondContact O-N 3.41Å; N366-E369 HydrophobicContact CB-CB 4.42Å; N366-E369 HydrophobicContact CB-CG 4.08Å; N366-E369 WeakPolarHBondContact O-CA 3.33Å; N366-E369 WeakPolarHBondContact O-CB 2.99Å; N366-E369 PolarHBondContact O-N 3.02Å; N366-I370 PolarHBondContact O-N 3.38Å
367A49.7Very low46.4Very low53 Ų53106.7 Ų106.744%0.43854%0.542SS..Hα-helixtrans-58.3-34.7177.700000111.4E369 I370 H371A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 PolarHBondContact O-N 3.49Å; A367-I370 WeakPolarHBondContact O-CB 3.26Å; A367-I370 PolarHBondContact O-N 2.9Å; A367-I370 VanDerWaalsContact O-N 3.15Å; A367-H371 PolarHBondContact O-CD2 2.94Å; A367-H371 PolarHBondContact O-N 2.87Å
368D47.6Very low46.5Very low96 Ų96104.3 Ų104.351%0.51353%0.533SS..Hα-helixtrans-63.1-35.5174.4-57.3-32.1000112.2N366 I370 H371 T372N366-D368 PolarHBondContact ND2-OD2 3.42Å; N366-D368 PolarHBondContact O-N 3.41Å; D368-I370 VanDerWaalsContact C-N 3.34Å; D368-H371 PolarHBondContact O-N 3.14Å; D368-T372 WeakPolarHBondContact O-CG2 3.32Å; D368-T372 PolarHBondContact O-N 3.36Å; D368-T372 PolarHBondContact O-OG1 3.39Å
369E51.8Low46.1Very low73 Ų73108.4 Ų108.434%0.34156%0.557SS.*Hα-helixtrans-67.5-36.6175.1-71.6176.5-162.300111.1R362 I365 N366 A367 T372 L373R362-E369 IonicContact NH1-OE1 3.98Å; R362-E369 IonicContact NH1-OE2 3.21Å; R362-E369 PolarHBondContact NH1-OE2 2.92Å; I365-E369 HydrophobicContact CG2-CB 4.35Å; N366-E369 HydrophobicContact CB-CB 4.42Å; N366-E369 HydrophobicContact CB-CG 4.08Å; N366-E369 WeakPolarHBondContact O-CA 3.33Å; N366-E369 WeakPolarHBondContact O-CB 2.99Å; N366-E369 PolarHBondContact O-N 3.02Å; A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 PolarHBondContact O-N 3.49Å; E369-T372 WeakPolarHBondContact CA-OG1 3.48Å; E369-T372 PolarHBondContact O-N 3.26Å; E369-T372 PolarHBondContact O-OG1 3.32Å; E369-L373 WeakPolarHBondContact O-CD1 3.44Å; E369-L373 PolarHBondContact O-N 2.91Å; E369-L373 VanDerWaalsContact O-N 3.08Å
370I53.3Low45.6Very low69 Ų69110.2 Ų110.235%0.35457%0.568SS.*Hα-helixtrans-64.2-46.8173.7-58.4179000109.8I365 N366 A367 D368 T372 L373 F374I365-I370 HydrophobicContact CG2-CD1 3.71Å; I365-I370 HydrophobicContact CG2-CG1 3.26Å; N366-I370 PolarHBondContact O-N 3.38Å; A367-I370 WeakPolarHBondContact O-CB 3.26Å; A367-I370 PolarHBondContact O-N 2.9Å; A367-I370 VanDerWaalsContact O-N 3.15Å; D368-I370 VanDerWaalsContact C-N 3.34Å; I370-T372 VanDerWaalsContact C-N 3.29Å; I370-T372 PolarHBondContact O-N 2.97Å; I370-L373 WeakPolarHBondContact O-CB 3.25Å; I370-L373 PolarHBondContact O-N 2.93Å; I370-F374 HydrophobicContact CG2-CD2 3.68Å; I370-F374 HydrophobicContact CG2-CE2 3.64Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3.46Å
371H48.3Very low44.8Very low131 Ų131108.3 Ų108.361%0.60657%0.566SS**Hα-helixtrans-61.5-37.2178-71.2-61.1000112.2A367 D368 L373 F374 D375A367-H371 PolarHBondContact O-CD2 2.94Å; A367-H371 PolarHBondContact O-N 2.87Å; D368-H371 PolarHBondContact O-N 3.14Å; H371-L373 VanDerWaalsContact C-N 3.32Å; H371-L373 PolarHBondContact O-N 3.39Å; H371-F374 PolarHBondContact O-N 3.46Å; H371-D375 PolarHBondContact O-N 3.24Å; H371-D375 VanDerWaalsContact O-N 3.13Å
372T52.7Low44.2Very low100 Ų100108 Ų10861%0.61357%0.569SS**Hα-helixtrans-69.4-25.9173.355.50000114.1D368 E369 I370D368-T372 WeakPolarHBondContact O-CG2 3.32Å; D368-T372 PolarHBondContact O-N 3.36Å; D368-T372 PolarHBondContact O-OG1 3.39Å; E369-T372 WeakPolarHBondContact CA-OG1 3.48Å; E369-T372 PolarHBondContact O-N 3.26Å; E369-T372 PolarHBondContact O-OG1 3.32Å; I370-T372 VanDerWaalsContact C-N 3.29Å; I370-T372 PolarHBondContact O-N 2.97Å
373L49.4Very low43.7Very low83 Ų83109.4 Ų109.444%0.43559%0.586SS.*Hα-helixtrans-74.7-26.1175.3-111.8107000113I354 L355 E369 I370 H371I354-L373 HydrophobicContact CG2-CD2 4.25Å; L355-L373 HydrophobicContact CD1-CD2 3.69Å; L355-L373 HydrophobicContact CG-CD2 4.12Å; E369-L373 WeakPolarHBondContact O-CD1 3.44Å; E369-L373 PolarHBondContact O-N 2.91Å; E369-L373 VanDerWaalsContact O-N 3.08Å; I370-L373 WeakPolarHBondContact O-CB 3.25Å; I370-L373 PolarHBondContact O-N 2.93Å; H371-L373 VanDerWaalsContact C-N 3.32Å; H371-L373 PolarHBondContact O-N 3.39Å
374F46.4Very low42.9Very low115 Ų115109 Ų10950%0.50458%0.578SS.*Hα-helixtrans-105.5-0.1-176.7-71.2-70.5000114.2L355 I370 H371 Q376L355-F374 HydrophobicContact CD1-CE1 4.4Å; L355-F374 HydrophobicContact CD1-CZ 4.04Å; L355-F374 HydrophobicContact CD2-CE2 4.16Å; L355-F374 HydrophobicContact CD2-CZ 3.62Å; L355-F374 HydrophobicContact CG-CZ 4.47Å; I370-F374 HydrophobicContact CG2-CD2 3.68Å; I370-F374 HydrophobicContact CG2-CE2 3.64Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3.46Å; H371-F374 PolarHBondContact O-N 3.46Å; F374-Q376 PolarHBondContact O-N 2.92Å
375D42.1Very low42.3Very low87 Ų87104.9 Ų104.947%0.46558%0.576SS.*  trans-73.794.5176.6-162.2-5.8000110.8H371 H377 S378H371-D375 PolarHBondContact O-N 3.24Å; H371-D375 VanDerWaalsContact O-N 3.13Å; D375-H377 PolarHBondContact O-N 3.49Å; D375-H377 PolarHBondContact OD1-N 3.21Å; D375-S378 PolarHBondContact O-N 3.5Å
376Q40.8Very low41.4Very low182 Ų182112.5 Ų112.585%0.8560%0.603SS**THydrogen-bonded Turntrans-62.1-6.4177.6-75.4-177.8-10.600113.7F374F374-Q376 PolarHBondContact O-N 2.92Å
377H39.7Very low40.9Very low164 Ų164116.1 Ų116.176%0.75962%0.617SS**THydrogen-bonded Turntrans-108.46.9-179.5-65-55.2000114.1D375 P379D375-H377 PolarHBondContact O-N 3.49Å; D375-H377 PolarHBondContact OD1-N 3.21Å; H377-P379 VanDerWaalsContact O-CD 3.29Å; H377-P379 WeakPolarHBondContact O-CD 3.45Å
378S37.4Very low40Very low52 Ų52120.2 Ų120.236%0.36463%0.631SS.*  trans-83.2113.4172.6-175.40000111.3D375 N380 S381D375-S378 PolarHBondContact O-N 3.5Å; S378-N380 PolarHBondContact O-N 3.19Å; S378-S381 PolarHBondContact O-N 2.88Å
379P37Very low39.3Very low121 Ų121124.1 Ų124.179%0.78665%0.651SS**THydrogen-bonded Turntrans-68.45-177.8-15.430.4000114.9H377H377-P379 VanDerWaalsContact O-CD 3.29Å; H377-P379 WeakPolarHBondContact O-CD 3.45Å
380N34.3Very low38.3Very low133 Ų133128.9 Ų128.971%0.71167%0.674SS**THydrogen-bonded Turntrans-11615.9-175.9-73.1-14.1000113.6S378 T382S378-N380 PolarHBondContact O-N 3.19Å; N380-T382 PolarHBondContact O-N 3.27Å
381S31Very low37.2Very low102 Ų102136.8 Ų136.871%0.71370%0.701SS**  trans-78.840.6179.791.40000114.2S378S378-S381 PolarHBondContact O-N 2.88Å
382T30.8Very low36.3Very low132 Ų132141.6 Ų141.681%0.8172%0.715SS**  trans-121.459.8166.925.20000108N380 N384N380-T382 PolarHBondContact O-N 3.27Å; T382-N384 VanDerWaalsContact C-N 3.3Å; T382-N384 PolarHBondContact O-N 3.19Å
383L36.2Very low35.2Very low167 Ų167142.4 Ų142.487%0.87472%0.716SS**  trans-74.692.2172-154.376.5000108.4
384N30.2Very low34.5Very low106 Ų106143.6 Ų143.657%0.56773%0.729SS**  trans-53128173.7-131.5-4.6000108.9T382 Y386T382-N384 VanDerWaalsContact C-N 3.3Å; T382-N384 PolarHBondContact O-N 3.19Å; N384-Y386 PolarHBondContact O-N 3.37Å
385P34.4Very low33.8Very low112 Ų112145.8 Ų145.873%0.72774%0.742SS**THydrogen-bonded Turntrans-71.216.8-17226.7-31.9000114.7
386Y31.2Very low33.3Very low207 Ų207149.2 Ų149.281%0.81276%0.761SS**THydrogen-bonded Turntrans-142.113.4-171.8-79.4-75.3000115.2N384N384-Y386 PolarHBondContact O-N 3.37Å
387H33.9Very low32.9Very low154 Ų154146 Ų14671%0.71375%0.753SS**  trans-91.7126176-96.5-51.5000113.6
388D31.5Very low32.5Very low138 Ų138147.5 Ų147.574%0.73876%0.758SS**  trans-46.9141.1-173.1-66.2-61.4000114.5E390D388-E390 PolarHBondContact O-N 3.46Å
389L32.5Very low32.1Very low178 Ų178153 Ų15393%0.93278%0.781SS**  trans-6963.9179.6-134.685.8000110.9Y391L389-Y391 PolarHBondContact O-N 2.98Å; L389-Y391 VanDerWaalsContact O-N 3.1Å
390E31.2Very low31.7Very low174 Ų174151.5 Ų151.581%0.81377%0.774SS**  trans-79.291.7168.4-80.2-170.116800110D388 Y392D388-E390 PolarHBondContact O-N 3.46Å; E390-Y392 PolarHBondContact O-N 2.83Å
391Y29.2Very low31.5Very low235 Ų235150 Ų15092%0.92277%0.774SS**  trans29.264.1140.3-103.8-94.8000116.7L389 N393L389-Y391 PolarHBondContact O-N 2.98Å; L389-Y391 VanDerWaalsContact O-N 3.1Å; Y391-N393 PolarHBondContact O-N 2.96Å
392Y30.4Very low31.7Very low231 Ų231151.5 Ų151.591%0.90678%0.779SS**  trans-81105.7163.3-111.8-92.9000110E390 P394E390-Y392 PolarHBondContact O-N 2.83Å; Y392-P394 WeakPolarHBondContact O-CD 3.45Å
393N30.2Very low31.8Very low117 Ų117152 Ų15263%0.62678%0.776SS**  trans-50.9113.6-179.4-168.6-5.1000111.9Y391 M395Y391-N393 PolarHBondContact O-N 2.96Å; N393-M395 PolarHBondContact O-N 3.35Å
394P33.8Very low31.8Very low109 Ų109147.9 Ų147.971%0.70876%0.759SS**G310 helixtrans-75.29.8-173.529.2-33.8000114.6Y392 N396Y392-P394 WeakPolarHBondContact O-CD 3.45Å; P394-N396 PolarHBondContact O-N 2.99Å
395M31.1Very low32.1Very low160 Ų160153.3 Ų153.379%0.78877%0.771SS**G310 helixtrans-82.9-1.2-171.7-79.3-69.8178.600116N393N393-M395 PolarHBondContact O-N 3.35Å
396N32Very low32Very low160 Ų160154 Ų15486%0.85677%0.769SS**G310 helixtrans-123.15.1-174.8-88.9-17.3000116.3P394 K398P394-N396 PolarHBondContact O-N 2.99Å; N396-K398 PolarHBondContact O-N 2.9Å
397T33.1Very low32.1Very low113 Ų113152.9 Ų152.969%0.69377%0.765SS**SBendtrans-86.7109.6170.838.60000109.5I399T397-I399 PolarHBondContact O-N 2.98Å
398K31.5Very low32.2Very low196 Ų196154.5 Ų154.585%0.85277%0.77SS**  trans-46.7111.8173.9-75.3176.7177.5176.60109.5N396 S400N396-K398 PolarHBondContact O-N 2.9Å; K398-S400 PolarHBondContact O-N 3.18Å; K398-S400 PolarHBondContact O-OG 3.46Å
399I28.8Very low32.3Very low168 Ų168155.4 Ų155.486%0.86277%0.77SS**  trans-71.785.1174.6-56.9167.6000106.9T397 S401T397-I399 PolarHBondContact O-N 2.98Å; I399-S401 PolarHBondContact O-N 3.46Å
400S29.4Very low32.2Very low90 Ų90154.1 Ų154.163%0.62976%0.759SS**  trans-68.6111.6165.7-28.90000107K398 T402K398-S400 PolarHBondContact O-N 3.18Å; K398-S400 PolarHBondContact O-OG 3.46Å; S400-T402 PolarHBondContact O-N 3.41Å; S400-T402 VanDerWaalsContact O-N 3.13Å
401S29.8Very low32.3Very low102 Ų102152.9 Ų152.971%0.71376%0.756SS**  trans-60.7109.5-173.460.80000112.9I399I399-S401 PolarHBondContact O-N 3.46Å
402T33.7Very low32.3Very low132 Ų132150.6 Ų150.681%0.8175%0.747SS**  trans-107.960162.948.70000109.5S400S400-T402 PolarHBondContact O-N 3.41Å; S400-T402 VanDerWaalsContact O-N 3.13Å
403L34.3Very low32.5Very low144 Ų144144.7 Ų144.775%0.75474%0.74SS**  trans-71.7136.4167.7-84.5159.2000109.4R405L403-R405 PolarHBondContact O-N 3.32Å; L403-R405 VanDerWaalsContact O-N 3.17Å
404P36Very low32.7Very low80 Ų80144.5 Ų144.552%0.51974%0.743SS.*  trans-63.7116.8173.6-10.624.6000108.7W80 D406W80-P404 HydrophobicContact CZ2-CG 4.18Å; P404-D406 PolarHBondContact O-N 3.47Å
405R35.3Very low32.7Very low219 Ų219147.4 Ų147.483%0.82675%0.752SS**  trans-77.9112.7172.7-84.1-176-177.5179.81.8109.5L403 Y407L403-R405 PolarHBondContact O-N 3.32Å; L403-R405 VanDerWaalsContact O-N 3.17Å; R405-Y407 PolarHBondContact O-N 2.99Å; R405-Y407 VanDerWaalsContact O-N 3.16Å
406D34Very low33.1Very low127 Ų127145.9 Ų145.968%0.67975%0.752SS**  trans-61.8107.4161.8-73.3-38000109.4P404 K408P404-D406 PolarHBondContact O-N 3.47Å; D406-K408 PolarHBondContact O-N 2.9Å
407Y32.8Very low33.2Very low183 Ų183147.6 Ų147.672%0.71875%0.752SS**  trans-78.598168.8-91.2-92.9000109.5R405R405-Y407 PolarHBondContact O-N 2.99Å; R405-Y407 VanDerWaalsContact O-N 3.16Å
408K35.2Very low33.4Very low188 Ų188147.8 Ų147.882%0.81776%0.758SS**  trans-109.989.4146.7-82.6-168.4176.8-1730107.2D406D406-K408 PolarHBondContact O-N 2.9Å
409Q33.7Very low33.5Very low158 Ų158145 Ų14574%0.73875%0.752SS**  trans-93.792.8169.2-160.5164.423.700107.3I411Q409-I411 PolarHBondContact O-N 3.26Å
410E31.5Very low33.9Very low150 Ų150144.4 Ų144.470%0.70175%0.751SS**  trans-67.9112.1166.3-74.2-179.2-179.300108.1Y412E410-Y412 HydrophobicContact CB-CD2 4.12Å; E410-Y412 HydrophobicContact CB-CE2 4.31Å; E410-Y412 PolarHBondContact O-N 3.43Å
411I32Very low34Very low148 Ų148151.8 Ų151.876%0.75977%0.765SS**  trans-72.893.9172.8-58.7171.1000107.2Q409Q409-I411 PolarHBondContact O-N 3.26Å
412Y29.7Very low34.3Very low187 Ų187153 Ų15373%0.73377%0.768SS**  trans-119.775.9159.8-74.5-72.9000109.2E410 T414E410-Y412 HydrophobicContact CB-CD2 4.12Å; E410-Y412 HydrophobicContact CB-CE2 4.31Å; E410-Y412 PolarHBondContact O-N 3.43Å; Y412-T414 VanDerWaalsContact C-N 3.34Å; Y412-T414 PolarHBondContact O-N 2.96Å
413S34.3Very low34.6Very low107 Ų107152.7 Ų152.775%0.74877%0.766SS**  trans-86.478.3163.1-51.80000108.4N415S413-N415 PolarHBondContact O-N 3.48Å
414T34.9Very low34.8Very low114 Ų114151.8 Ų151.870%0.69977%0.766SS**  trans-80.791.5165.145.50000108.9Y412 V416Y412-T414 VanDerWaalsContact C-N 3.34Å; Y412-T414 PolarHBondContact O-N 2.96Å; T414-V416 VanDerWaalsContact C-N 3.34Å; T414-V416 PolarHBondContact O-N 3.46Å
415N34Very low34.8Very low169 Ų169154.4 Ų154.490%0.90478%0.776SS**  trans-64.993.7162.2-96-30.4000109S413S413-N415 PolarHBondContact O-N 3.48Å
416V39.2Very low35Very low128 Ų128150.1 Ų150.178%0.77677%0.77SS**  trans-112.9104.3166.1-177.60000108.4T414T414-V416 VanDerWaalsContact C-N 3.34Å; T414-V416 PolarHBondContact O-N 3.46Å
417K34.6Very low35.3Very low197 Ų197150 Ų15086%0.85777%0.769SS**  trans-44.6132.4162.7-82.6171.1168.8173.20110.6
418S37.2Very low35.5Very low117 Ų117148.2 Ų148.282%0.81877%0.772SS**  trans-150.8132.5134.4760000111.5
419N34.1Very low35.7Very low138 Ų138144.9 Ų144.974%0.73877%0.773SS**  trans-63.4148179-59.3-36000111.2
420N35.7Very low35.8Very low154 Ų154142.9 Ų142.982%0.82478%0.776SS**  171.1113.9120.2-92.8-19.1000111.4
421R33Very low36Very low246 Ų246141.4 Ų141.493%0.92878%0.782SS**  trans-152.789.3150.6-113.1-174-166.8-178.54.9109
422T35Very low36.3Very low126 Ų126143.5 Ų143.577%0.77379%0.788SS**  trans-168.6149.6153.217.90000108.5
423T40.5Very low36.7Very low127 Ų127138.3 Ų138.378%0.77979%0.792SS**  trans81.394.5175.165.50000115.5
424T37.3Very low36.8Very low124 Ų124140.7 Ų140.776%0.76180%0.796SS**  74.1132.987.446.50000115.7
425N37.4Very low37Very low136 Ų136142.9 Ų142.973%0.72780%0.804SS**  trans86.3103.9154.9-74-5.4000119.7
426N38.3Very low37.1Very low128 Ų128142.7 Ų142.768%0.68480%0.803SS**  76126.9114.4-77.5-2.3000121.3
427N40.6Very low37.1Very low125 Ų125141.8 Ų141.867%0.66880%0.802SS**  trans88.6109.6136.7-64-9.3000118.7
428N37.8Very low37.1Very low145 Ų145140.3 Ų140.378%0.77580%0.803SS**  44114.6121.8-60.4-10.9000117.2
429S39.9Very low37.2Very low119 Ų119139.1 Ų139.183%0.83280%0.795SS**  168.8140.198.543.70000111.3
430S34.5Very low37.2Very low116 Ų116138.7 Ų138.781%0.81180%0.797SS**  trans-60.3144.3169.551.90000112.9
431S37.1Very low37.1Very low119 Ų119138.7 Ų138.783%0.83279%0.792SS**  -176.3150.1129.2-165.90000111.6
432H38Very low37.2Very low191 Ų191137.8 Ų137.888%0.88479%0.789SS**  trans-44.7144.5179.9-79.19.4000116.9
433G36.8Very low37.1Very low79 Ų79138.4 Ų138.481%0.81479%0.787SS**  trans-161.382.9163.900000110.6
434N37.7Very low37.1Very low156 Ų156137.2 Ų137.283%0.83478%0.782SS**  trans-70.6120.2171.5-155.211.5000107.9
435N39.3Very low36.9Very low160 Ų160138 Ų13886%0.85679%0.789SS**  trans-161.3119.6158.9-93-26.4000111.3S437N435-S437 PolarHBondContact O-N 2.9Å
436N35.1Very low36.7Very low166 Ų166135.9 Ų135.989%0.88879%0.785SS**  trans-52.5123.8167.8-92.5-25.6000111.4
437S39.6Very low36.4Very low108 Ų108140.3 Ų140.376%0.75579%0.792SS**  trans-147113.5151.256.40000109N435 S439N435-S437 PolarHBondContact O-N 2.9Å; S437-S439 PolarHBondContact O-N 3.05Å
438N34.8Very low35.8Very low166 Ų166145.2 Ų145.289%0.88880%0.803SS**  trans-46.1105.6173.7-69.9-32.8000111.3
439S38.9Very low35.5Very low93 Ų93146.3 Ų146.365%0.6581%0.808SS**  trans-114.6102.6164.1166.80000106.1S437 H441S437-S439 PolarHBondContact O-N 3.05Å; S439-H441 PolarHBondContact O-N 2.97Å
440V33.8Very low35Very low128 Ų128148.1 Ų148.178%0.77681%0.808SS**  trans-67.680.9173.7178.20000107.4R442V440-R442 HydrophobicContact CG1-CG 4.33Å; V440-R442 PolarHBondContact O-N 2.94Å; V440-R442 VanDerWaalsContact O-N 3.08Å
441H34.3Very low35Very low155 Ų155148.4 Ų148.472%0.71881%0.805SS**  trans-73.294.7166.2-127.5-61.3000106.6S439 N443S439-H441 PolarHBondContact O-N 2.97Å; H441-N443 VanDerWaalsContact C-N 3.33Å; H441-N443 PolarHBondContact O-N 3.21Å
442R34.5Very low34.4Very low226 Ų226151.3 Ų151.385%0.85381%0.806SS**  trans-61.599.1166.3-80.3-174174.4-172.2-0.9107.7V440V440-R442 HydrophobicContact CG1-CG 4.33Å; V440-R442 PolarHBondContact O-N 2.94Å; V440-R442 VanDerWaalsContact O-N 3.08Å
443N34Very low34.1Very low140 Ų140153.3 Ų153.375%0.74981%0.807SS**  trans-62.1127.8168.7-77.4-39.7000109H441H441-N443 VanDerWaalsContact C-N 3.33Å; H441-N443 PolarHBondContact O-N 3.21Å
444P38.5Very low33.9Very low101 Ų101158.6 Ų158.666%0.65681%0.807SS**  trans-67.9140.2165.928.9-31.1000108.7S446P444-S446 VanDerWaalsContact C-N 3.34Å; P444-S446 PolarHBondContact O-N 3.19Å
445P34.8Very low33.5Very low141 Ų141158.5 Ų158.592%0.91681%0.807SS**  trans-71.194.4176.129-30.5000108.6
446S32.6Very low33.2Very low92 Ų92156.4 Ų156.464%0.64381%0.805SS**  trans-104148.9158.660.90000107.9P444P444-S446 VanDerWaalsContact C-N 3.34Å; P444-S446 PolarHBondContact O-N 3.19Å
447R31.3Very low32.9Very low221 Ų221158.4 Ų158.483%0.83481%0.806SS**  trans87.7100.5-175.7-52.1175.1-175.1-1660.3112.9
448Y29.4Very low32.5Very low227 Ų227160 Ų16089%0.8981%0.805SS**  179.894.7118.8-83.1-65000107.6
449L31.4Very low32.4Very low169 Ų169158.4 Ų158.489%0.88580%0.801SS**  trans-159.274.8141.1-94.3177.1000105
450N29.1Very low32.2Very low157 Ų157163.1 Ų163.184%0.8481%0.806SS**  trans-77.4113.1158.9-92.1-5.6000106.3
451T33.6Very low32.3Very low122 Ų122159.1 Ų159.175%0.74879%0.79SS**  trans-138.199.7150.17.30000107.1Y453T451-Y453 PolarHBondContact O-N 3.18Å
452E26Very low32.4Very low180 Ų180158.3 Ų158.384%0.84180%0.799SS**  trans-52.9124.9171.5-66.4173.9137.600110.4
453Y31.5Very low32.4Very low233 Ų233153.9 Ų153.991%0.91479%0.788SS**  trans-135.7118146.7-95.3-85.6000108.4T451T451-Y453 PolarHBondContact O-N 3.18Å
454K32Very low32.5Very low189 Ų189155.3 Ų155.382%0.82279%0.79SS**  trans-59.6146.1-173.8-75.5170172.11720113
455N29.7Very low32.4Very low154 Ų154156 Ų15682%0.82480%0.795SS**  trans62.785.6150.8-67.6-12.1000118.5
456S32.8Very low32.6Very low117 Ų117157.3 Ų157.382%0.81879%0.786SS**  -167.9140.8117.648.20000110.3L458S456-L458 PolarHBondContact O-N 3.09Å
457K29.3Very low33Very low208 Ų208159.6 Ų159.690%0.90480%0.797SS**  trans-76.499.4-164-163.7179.2-171.8-1780109.9
458L30.7Very low33.5Very low142 Ų142155.9 Ų155.974%0.74380%0.798SS**  trans-117.4109.2166.5-109.2146000109S456 Y460S456-L458 PolarHBondContact O-N 3.09Å; L458-Y460 PolarHBondContact O-N 2.78Å; L458-Y460 VanDerWaalsContact O-N 3.15Å
459V33Very low34Very low131 Ų131147.1 Ų147.179%0.79477%0.772SS**  trans-65.9104.8175.7175.70000107.6G461V459-G461 PolarHBondContact O-N 3.24Å
460Y33.8Very low34.7Very low192 Ų192142.1 Ų142.175%0.75375%0.752SS**  trans-77.997.8169.9-84.3-90.7000109L458L458-Y460 PolarHBondContact O-N 2.78Å; L458-Y460 VanDerWaalsContact O-N 3.15Å
461G36.2Very low35.7Very low44 Ų44142.4 Ų142.445%0.45475%0.748SS.*  trans-68.9163.7156.700000110.4V459 Q463V459-G461 PolarHBondContact O-N 3.24Å; G461-Q463 PolarHBondContact O-N 3.28Å
462P36.8Very low36.4Very low138 Ų138143.1 Ų143.190%0.89674%0.743SS**  trans-60.2102.2176.825.9-32.3000109.2E464P462-E464 PolarHBondContact O-N 3.48Å
463Q34.9Very low37.5Very low133 Ų133138.2 Ų138.262%0.62172%0.722SS**  trans-69.2120.6173.8-85.6178-2300108.5G461G461-Q463 PolarHBondContact O-N 3.28Å
464E34.9Very low38.5Very low170 Ų170129.5 Ų129.579%0.79470%0.699SS**  trans-52.8143.3167.5-75.9179.8148.200110.3P462 F466P462-E464 PolarHBondContact O-N 3.48Å; E464-F466 PolarHBondContact O-N 2.99Å; E464-F466 VanDerWaalsContact O-N 3.09Å
465P37.3Very low39.7Very low117 Ų117125.8 Ų125.876%0.7669%0.687SS**  trans-64.1115.5178.225.7-31.5000109.7T467P465-T467 PolarHBondContact O-N 3.29Å; P465-T467 VanDerWaalsContact O-N 3.11Å
466F39.2Very low41Very low168 Ų168122.9 Ų122.974%0.73767%0.671SS**  trans-56.3113.8169.8-62.2-85.2000109.8E464 V468E464-F466 PolarHBondContact O-N 2.99Å; E464-F466 VanDerWaalsContact O-N 3.09Å; F466-V468 PolarHBondContact O-N 3.49Å
467T40.4Very low42Very low140 Ų140119.9 Ų119.986%0.85965%0.65SS**  trans-68.9105.2169.83.30000108.4P465 A469P465-T467 PolarHBondContact O-N 3.29Å; P465-T467 VanDerWaalsContact O-N 3.11Å; T467-A469 PolarHBondContact O-N 3.19Å
468V42.7Very low43.3Very low143 Ų143115.2 Ų115.287%0.86764%0.635SS**  trans-74.295.2171.5-174.40000107.6F466 S470F466-V468 PolarHBondContact O-N 3.49Å; V468-S470 PolarHBondContact O-N 3.14Å
469A39.1Very low44.5Very low42 Ų42114.7 Ų114.735%0.34763%0.632SS.*  trans-48.1129.3170.800000111.3T467 D473T467-A469 PolarHBondContact O-N 3.19Å; A469-D473 HydrophobicContact CB-CB 3.25Å
470S45.6Very low45.6Very low65 Ų65114.3 Ų114.346%0.45563%0.625SS.*  trans-49.4155.1163.31710000109.6V468 H472 D473 A474V468-S470 PolarHBondContact O-N 3.14Å; S470-H472 CarbonylContact O-C 3.53Å; S470-H472 PolarHBondContact O-N 2.98Å; S470-H472 PolarHBondContact OG-N 3.15Å; S470-D473 PolarHBondContact N-OD2 3.38Å; S470-D473 VanDerWaalsContact N-OD2 3.15Å; S470-D473 WeakPolarHBondContact O-CA 3.33Å; S470-D473 WeakPolarHBondContact O-CB 3.14Å; S470-D473 PolarHBondContact O-N 2.9Å; S470-A474 PolarHBondContact O-N 2.93Å
471Q50.3Low46.8Very low162 Ų162110.7 Ų110.776%0.75762%0.615SS**Hα-helixtrans-51.8-26.4174.3-72.7178.9-14.600112.5L475Q471-L475 WeakPolarHBondContact O-CG 3.25Å; Q471-L475 PolarHBondContact O-N 3.48Å
472H48.6Very low47.6Very low137 Ų137118.9 Ų118.963%0.63463%0.632SS**Hα-helixtrans-68.9-40.1169.7-77.4-78000113.9S470 L475 L476S470-H472 CarbonylContact O-C 3.53Å; S470-H472 PolarHBondContact O-N 2.98Å; S470-H472 PolarHBondContact OG-N 3.15Å; H472-L475 PolarHBondContact O-N 3.06Å; H472-L476 VanDerWaalsContact O-CB 3.3Å; H472-L476 WeakPolarHBondContact O-CB 3.42Å; H472-L476 WeakPolarHBondContact O-CD1 3.26Å; H472-L476 VanDerWaalsContact O-CG 3.22Å; H472-L476 WeakPolarHBondContact O-CG 3.18Å; H472-L476 PolarHBondContact O-N 3.43Å
473D49.5Very low48Very low77 Ų77114 Ų11441%0.41261%0.607SS.*Hα-helixtrans-73.5-29.7178.6-64.9-28.9000112A469 S470 S477A469-D473 HydrophobicContact CB-CB 3.25Å; S470-D473 PolarHBondContact N-OD2 3.38Å; S470-D473 VanDerWaalsContact N-OD2 3.15Å; S470-D473 WeakPolarHBondContact O-CA 3.33Å; S470-D473 WeakPolarHBondContact O-CB 3.14Å; S470-D473 PolarHBondContact O-N 2.9Å; D473-S477 WeakPolarHBondContact O-CB 3.32Å; D473-S477 PolarHBondContact O-N 3.34Å; D473-S477 PolarHBondContact O-OG 3.47Å
474A52.5Low48.9Very low51 Ų51112.5 Ų112.542%0.42161%0.607SS.*Hα-helixtrans-68.7-44.6171.900000111S470 S477 D478S470-A474 PolarHBondContact O-N 2.93Å; A474-S477 PolarHBondContact O-N 3.39Å; A474-D478 PolarHBondContact O-N 3.31Å
475L56.1Low49.7Very low110 Ų110111.3 Ų111.358%0.57661%0.606SS**Hα-helixtrans-65.9-36.5173.1-76.2169.3000112.4Q471 H472 L479Q471-L475 WeakPolarHBondContact O-CG 3.25Å; Q471-L475 PolarHBondContact O-N 3.48Å; H472-L475 PolarHBondContact O-N 3.06Å; L475-L479 WeakPolarHBondContact O-CB 3.44Å; L475-L479 WeakPolarHBondContact O-CD1 3.44Å; L475-L479 PolarHBondContact O-N 3.24Å
476L58.1Low50.1Low93 Ų93109.1 Ų109.149%0.48759%0.593SS.*Hα-helixtrans-69.3-39.4174.7-78.9163.4000111.9H472 L479 L480H472-L476 VanDerWaalsContact O-CB 3.3Å; H472-L476 WeakPolarHBondContact O-CB 3.42Å; H472-L476 WeakPolarHBondContact O-CD1 3.26Å; H472-L476 VanDerWaalsContact O-CG 3.22Å; H472-L476 WeakPolarHBondContact O-CG 3.18Å; H472-L476 PolarHBondContact O-N 3.43Å; L476-L479 PolarHBondContact O-N 2.91Å; L476-L480 WeakPolarHBondContact O-CB 3.5Å; L476-L480 WeakPolarHBondContact O-CD1 3.3Å; L476-L480 PolarHBondContact O-N 3.06Å
477S53.8Low50.4Low54 Ų54107.1 Ų107.138%0.37859%0.591SS.*Hα-helixtrans-63.6-44.2173.3-70.90000111D473 A474 L479 L480 H481D473-S477 WeakPolarHBondContact O-CB 3.32Å; D473-S477 PolarHBondContact O-N 3.34Å; D473-S477 PolarHBondContact O-OG 3.47Å; A474-S477 PolarHBondContact O-N 3.39Å; S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.5Å; S477-L480 PolarHBondContact O-N 3.41Å; S477-H481 VanDerWaalsContact O-CB 3.32Å; S477-H481 WeakPolarHBondContact O-CB 3.14Å; S477-H481 PolarHBondContact O-CD2 3.21Å; S477-H481 VanDerWaalsContact O-CG 3.27Å; S477-H481 PolarHBondContact O-N 3.44Å
478D56.6Low50.9Low111 Ų111107.3 Ų107.359%0.59459%0.594SS**Hα-helixtrans-64.7-36.7175.2-994000112.6A474 R482A474-D478 PolarHBondContact O-N 3.31Å; D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.27Å; D478-R482 PolarHBondContact O-N 2.94Å
479L54.7Low51.3Low131 Ų131104 Ų10469%0.68659%0.589SS**Hα-helixtrans-68.2-38.5172.8-107.7116.5000112.5L475 L476 S477 G483L475-L479 WeakPolarHBondContact O-CB 3.44Å; L475-L479 WeakPolarHBondContact O-CD1 3.44Å; L475-L479 PolarHBondContact O-N 3.24Å; L476-L479 PolarHBondContact O-N 2.91Å; S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.5Å; L479-G483 PolarHBondContact O-N 3.43Å
480L57.3Low51.5Low123 Ų123109.5 Ų109.564%0.64461%0.607SS**Hα-helixtrans-68.1-42.8175.9-106.1107.7000111.4L476 S477 G483L476-L480 WeakPolarHBondContact O-CB 3.5Å; L476-L480 WeakPolarHBondContact O-CD1 3.3Å; L476-L480 PolarHBondContact O-N 3.06Å; S477-L480 PolarHBondContact O-N 3.41Å; L480-G483 PolarHBondContact O-N 3.35Å
481H57.4Low51.4Low115 Ų115111.9 Ų111.953%0.53262%0.624SS.*Hα-helixtrans-77.3-25.8-178.7-67.5-49.3000113.3S477 G483 T484S477-H481 VanDerWaalsContact O-CB 3.32Å; S477-H481 WeakPolarHBondContact O-CB 3.14Å; S477-H481 PolarHBondContact O-CD2 3.21Å; S477-H481 VanDerWaalsContact O-CG 3.27Å; S477-H481 PolarHBondContact O-N 3.44Å; H481-G483 PolarHBondContact O-N 3.37Å; H481-T484 PolarHBondContact O-N 3.08Å; H481-T484 PolarHBondContact O-OG1 3.34Å
482R53.2Low51.1Low216 Ų216114.6 Ų114.682%0.81563%0.627SS**Hα-helixtrans-65.9-23.6166.3-89.5178.9156.5-147.3-4.7112.9D478D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.27Å; D478-R482 PolarHBondContact O-N 2.94Å
483G46.9Very low51Low36 Ų36113.9 Ų113.937%0.37164%0.635SS.*THydrogen-bonded Turntrans-78.8-17.5177.600000114.9L479 L480 H481L479-G483 PolarHBondContact O-N 3.43Å; L480-G483 PolarHBondContact O-N 3.35Å; H481-G483 PolarHBondContact O-N 3.37Å
484T53.8Low50.8Low102 Ų102119.8 Ų119.863%0.62666%0.657SS**THydrogen-bonded Turntrans-93.2-12.8-17450.40000114.2H481H481-T484 PolarHBondContact O-N 3.08Å; H481-T484 PolarHBondContact O-OG1 3.34Å
485N50.8Low50.5Low145 Ų145122.2 Ų122.278%0.77567%0.671SS**SBendtrans-115.210.2-178.9-64.9-18.6000113.7N487N485-N487 PolarHBondContact O-N 2.94Å
486S44.8Very low49.9Very low70 Ų70123.5 Ų123.549%0.4968%0.683SS.*  trans-75.6118.8173.757.70000109.8
487N46.7Very low49Very low127 Ų127131.7 Ų131.768%0.67972%0.715SS**  trans-46.2142.3168.1-86.4-41.3000110.5N485 G489 E490N485-N487 PolarHBondContact O-N 2.94Å; N487-G489 PolarHBondContact O-N 3.04Å; N487-E490 PolarHBondContact O-N 3.5Å
488P51Low48.8Very low143 Ų143135.6 Ų135.693%0.92973%0.732SS**THydrogen-bonded Turntrans-67.222.8-173.626.5-34.3000115.7
489G50.1Low48.4Very low73 Ų73136.8 Ų136.875%0.75374%0.74SS**THydrogen-bonded Turntrans-134.2-3.4-17800000116N487N487-G489 PolarHBondContact O-N 3.04Å
490E44.2Very low48Very low158 Ų158137.2 Ų137.274%0.73874%0.743SS**SBendtrans-92.7117.2178.3-100.3175.8167.600111.8N487 R492N487-E490 PolarHBondContact O-N 3.5Å; E490-R492 PolarHBondContact O-N 3.44Å; E490-R492 VanDerWaalsContact O-N 3.15Å
491S42.3Very low47.5Very low115 Ų115138 Ų13880%0.80475%0.748SS**  trans-57.8114.5176.849.40000110.9
492R43.7Very low46.9Very low219 Ų219139.4 Ų139.483%0.82676%0.762SS**  trans-49.1129.7169.9-95.4178.9160163.3-5.1110.4E490 K494E490-R492 PolarHBondContact O-N 3.44Å; E490-R492 VanDerWaalsContact O-N 3.15Å; R492-K494 PolarHBondContact O-N 3.23Å
493P47.6Very low46.4Very low123 Ų123134.3 Ų134.380%0.79976%0.758SS**  trans-61.6126.3164.324.3-29.3000108.4S495P493-S495 PolarHBondContact O-N 2.95Å; P493-S495 VanDerWaalsContact O-N 3.08Å
494K45.5Very low46.4Very low200 Ų200141.4 Ų141.487%0.8779%0.786SS**  trans-59.4113.2174.4-79.5177.9175.8175.70108.5R492 T496R492-K494 PolarHBondContact O-N 3.23Å; K494-T496 PolarHBondContact O-N 2.97Å
495S46.8Very low45.8Very low102 Ų102144.4 Ų144.471%0.71380%0.798SS**  trans-65116.5165.9-179.80000108.1P493P493-S495 PolarHBondContact O-N 2.95Å; P493-S495 VanDerWaalsContact O-N 3.08Å
496T41.9Very low45.4Very low137 Ų137144.3 Ų144.384%0.8480%0.8SS**  trans-92.886.8162.748.60000107.1K494K494-T496 PolarHBondContact O-N 2.97Å
497F40.5Very low45.5Very low265 Ų265151.1 Ų151.1100%1.16283%0.829SS**  trans-119.40159.2-106.7-75.8000108.5

Retrieved 497 of 497 residues in 570.2 ms (Link to these results)