A0A077ZIX6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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
1S30.5Very low30.1Very low156 Ų156142.1 Ų142.1100%1.09179%0.789SS**  0120.80-530000109.8
2P36Very low30.5Very low129 Ų129144.7 Ų144.784%0.83878%0.778SS**PPolyproline II helixtrans-84.9122.4172.631.9-26000109.4
3H36.7Very low30.7Very low180 Ų180140 Ų14083%0.83376%0.758SS**PPolyproline II helixtrans-70.6124.9176.7-83.9-89.5000110.5
4F28.3Very low30.8Very low206 Ų206137.4 Ų137.490%0.90475%0.753SS**PPolyproline II helixtrans-67.5126.5163.9-107.8-100.4000109.4
5C28.7Very low31Very low86 Ų86133.3 Ų133.358%0.58174%0.738SS**  trans-106.4120.4162.8-84.10000108.5
6P27.5Very low31.1Very low112 Ų112129.6 Ų129.673%0.72772%0.723SS**  trans-69.5136.8-178.227.9-31.8000110.5N8P6-N8 VanDerWaalsContact C-N 3.33Å; P6-N8 PolarHBondContact O-N 3.42Å
7A28.9Very low31.3Very low102 Ų102128.9 Ų128.984%0.84372%0.717SS**  trans-67.787176.200000110.2
8N28.2Very low31.8Very low118 Ų118133.6 Ų133.663%0.63173%0.729SS**  trans-116.9101.2164.7-102-22.4000110P6 F10 Q11P6-N8 VanDerWaalsContact C-N 3.33Å; P6-N8 PolarHBondContact O-N 3.42Å; N8-F10 PolarHBondContact O-N 2.83Å; N8-Q11 PolarHBondContact O-N 3.12Å
9I29Very low32.3Very low153 Ų153132.6 Ų132.679%0.78573%0.728SS**THydrogen-bonded Turntrans-1114.4142.2-61.7161.5000112.2
10F29Very low32.7Very low168 Ų168133.1 Ų133.174%0.73772%0.724SS**THydrogen-bonded Turntrans83.77.9174.4-85.1-82.8000121.4N8 K175N8-F10 PolarHBondContact O-N 2.83Å; F10-K175 HydrophobicContact CZ-CD 4.09Å
11Q28.6Very low32.9Very low153 Ų153132.6 Ų132.672%0.71573%0.731SS**  trans-107.1109.4166.8-86-178.8-22.800112.7N8 T13N8-Q11 PolarHBondContact O-N 3.12Å; Q11-T13 PolarHBondContact O-N 2.77Å; Q11-T13 PolarHBondContact O-OG1 3.41Å
12R34.7Very low33.3Very low173 Ų173134 Ų13465%0.65372%0.717SS**  trans-63.986.6160.8-73.3-176.1177.9-173.10.2107.8C14R12-C14 PolarHBondContact O-N 2.99Å
13T32.6Very low33.4Very low84 Ų84133.4 Ų133.452%0.51570%0.703SS.*  trans-75.8111.5177.18.50000108.5Q11 C15Q11-T13 PolarHBondContact O-N 2.77Å; Q11-T13 PolarHBondContact O-OG1 3.41Å; T13-C15 PolarHBondContact O-N 3.48Å; T13-C15 VanDerWaalsContact O-N 3.1Å
14C32.2Very low33Very low103 Ų103128.7 Ų128.770%0.69669%0.69SS**  trans-62.5107.3167.9-83.90000109.1R12 C16R12-C14 PolarHBondContact O-N 2.99Å; C14-C16 PolarHBondContact O-N 3.43Å
15C33.9Very low33.3Very low77 Ų77123.8 Ų123.852%0.5267%0.67SS.*BIsolated β-bridgetrans-84.492.5163.7-67.20000108.2T13T13-C15 PolarHBondContact O-N 3.48Å; T13-C15 VanDerWaalsContact O-N 3.1Å
16C32.6Very low33.5Very low74 Ų74124.4 Ų124.450%0.567%0.671SS.*  trans-93.5119.5168.8-64.40000109.1C14 K18C14-C16 PolarHBondContact O-N 3.43Å; C16-K18 PolarHBondContact O-N 3.19Å
17N34Very low33.6Very low117 Ų117126.7 Ų126.763%0.62667%0.666SS**  trans-71.3120.1168.5-156.44.7000108T19 E20N17-T19 PolarHBondContact O-N 3.41Å; N17-E20 PolarHBondContact O-N 3.39Å
18K40.4Very low33.7Very low213 Ų213125.4 Ų125.493%0.92666%0.655SS**THydrogen-bonded Turntrans-65.5-0.5-175-88.3-174.5176-179.80114.3C16C16-K18 PolarHBondContact O-N 3.19Å
19T42.6Very low33.7Very low115 Ų115125 Ų12571%0.70666%0.661SS**THydrogen-bonded Turntrans-111.5-5.4-175.744.50000115N17N17-T19 PolarHBondContact O-N 3.41Å
20E40.6Very low33.6Very low142 Ų142122.3 Ų122.366%0.66466%0.663SS**  trans-136.491.2177.6-72.2-175.1164.400111.1N17 K22N17-E20 PolarHBondContact O-N 3.39Å; E20-K22 PolarHBondContact O-N 2.69Å
21S36.2Very low33.6Very low124 Ų124123.3 Ų123.387%0.86767%0.666SS**THydrogen-bonded Turntrans-70.829.6-172.353.90000116
22K39.2Very low33.4Very low184 Ų184122.1 Ų122.180%0.867%0.674SS**THydrogen-bonded Turntrans-133.4-10.8-177.7-71.6-171.6178.4179.30117E20E20-K22 PolarHBondContact O-N 2.69Å
23H37Very low33.1Very low117 Ų117124.2 Ų124.254%0.54268%0.682SS.*  trans-135.3103.5-172.8-65.9-23.3000113.1
24C29.7Very low33Very low82 Ų82128.9 Ų128.955%0.55470%0.695SS**  trans-92.8118.8168.7-66.80000109.5
25H35Very low33Very low103 Ų103128.2 Ų128.248%0.47768%0.684SS.*BIsolated β-bridgetrans-89.8118.4175.5-71.1-86.3000110.3Y27H25-Y27 HydrophobicContact CB-CD2 4.4Å; H25-Y27 HydrophobicContact CB-CE2 3.81Å
26V31.5Very low32.9Very low99 Ų99130.4 Ų130.460%0.669%0.69SS**  trans-88109.3167.4-178.40000107.6A28V26-A28 PolarHBondContact O-N 3.26Å
27Y30.7Very low32.9Very low159 Ų159134.7 Ų134.762%0.62470%0.703SS**  trans-80.5104.3176.6-67.4-84.6000109.6H25H25-Y27 HydrophobicContact CB-CD2 4.4Å; H25-Y27 HydrophobicContact CB-CE2 3.81Å
28A30.2Very low32.7Very low76 Ų76134.4 Ų134.463%0.62871%0.705SS**  trans-105.4120.9162.400000108.2V26 A30V26-A28 PolarHBondContact O-N 3.26Å; A28-A30 PolarHBondContact O-N 3.38Å
29S28.2Very low32.3Very low108 Ų108128.5 Ų128.576%0.75568%0.684SS**THydrogen-bonded Turntrans0.7113.4158.3-1780000116.4K31S29-K31 PolarHBondContact O-N 2.89Å
30A26.8Very low31.8Very low98 Ų98124.3 Ų124.381%0.8166%0.661SS**THydrogen-bonded Turntrans78-6.9156.300000122.6A28A28-A30 PolarHBondContact O-N 3.38Å
31K28.3Very low31.3Very low188 Ų188120.5 Ų120.582%0.81765%0.653SS**  trans-155.1110.9170.1-101.5166.4-168.7175.40112.2S29 R33S29-K31 PolarHBondContact O-N 2.89Å; K31-R33 PolarHBondContact O-N 3.34Å; K31-R33 VanDerWaalsContact O-N 3.17Å
32C25.5Very low31.3Very low128 Ų128117.9 Ų117.987%0.86563%0.632SS**  trans-67.4108.8174.6-69.70000111.2
33R27.5Very low31.3Very low218 Ų218112.9 Ų112.982%0.82361%0.614SS**  trans-127.4137.9161.2-77.6-172.7-179.6-177.7-0.2109.3K31 L35K31-R33 PolarHBondContact O-N 3.34Å; K31-R33 VanDerWaalsContact O-N 3.17Å; R33-L35 PolarHBondContact O-N 2.09Å
34K30.5Very low31.2Very low181 Ų181111.2 Ų111.279%0.78761%0.608SS**  trans-55.6123.1166.7-94.6-179.7171.7179.80107.9
35L33.1Very low31.6Very low90 Ų90113.3 Ų113.347%0.47161%0.608SS.*  trans-112.3118.9171.4-119.488.7000108.1R33 N39 A40 L43R33-L35 PolarHBondContact O-N 2.09Å; L35-N39 HydrophobicContact CD2-CB 3.92Å; L35-N39 HydrophobicContact CG-CB 4.12Å; L35-A40 HydrophobicContact CD2-CB 4.18Å; L35-L43 HydrophobicContact CD2-CD1 3.58Å
36D31.3Very low31.9Very low122 Ų122113.5 Ų113.565%0.65261%0.609SS**  trans-62.3142.9168.7-67.2-47.5000109.9V38 N39 A40D36-V38 PolarHBondContact O-N 3.06Å; D36-N39 PolarHBondContact O-N 3.46Å; D36-A40 PolarHBondContact O-N 2.74Å
37H32.7Very low32.5Very low165 Ų165112.6 Ų112.676%0.76460%0.6SS**Hα-helixtrans-50.9-29-171.9-79.8-77.1000114.7A41H37-A41 PolarHBondContact O-N 3.44Å
38V29.1Very low32.8Very low111 Ų111110.1 Ų110.167%0.67360%0.598SS**Hα-helixtrans-69-41.5178.1-175.80000111.4D36 A40 A41 T42D36-V38 PolarHBondContact O-N 3.06Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.47Å; V38-A41 PolarHBondContact O-N 3.05Å; V38-T42 PolarHBondContact O-N 2.89Å; V38-T42 PolarHBondContact O-OG1 2.96Å; V38-T42 VanDerWaalsContact O-OG1 3.08Å
39N33.6Very low33.3Very low89 Ų89110 Ų11048%0.47659%0.586SS.*Hα-helixtrans-71.1-29.8179.8-75.2-17.2000112.2L35 D36 T42 L43L35-N39 HydrophobicContact CD2-CB 3.92Å; L35-N39 HydrophobicContact CG-CB 4.12Å; D36-N39 PolarHBondContact O-N 3.46Å; N39-T42 PolarHBondContact O-N 3.37Å; N39-L43 WeakPolarHBondContact O-CB 3.31Å; N39-L43 PolarHBondContact O-N 3.19Å
40A31Very low34.1Very low27 Ų27108.6 Ų108.622%0.22357%0.569CS.*Hα-helixtrans-68.2-41178.100000111.7L35 D36 V38 L43 I44L35-A40 HydrophobicContact CD2-CB 4.18Å; D36-A40 PolarHBondContact O-N 2.74Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.47Å; A40-L43 PolarHBondContact O-N 3.3Å; A40-I44 WeakPolarHBondContact O-CD1 3.15Å; A40-I44 WeakPolarHBondContact O-CG1 3.34Å; A40-I44 PolarHBondContact O-N 3.47Å
41A30.8Very low34.8Very low61 Ų61106.6 Ų106.650%0.50455%0.55SS..Hα-helixtrans-64.4-42.617600000111.5H37 V38 I44 F45H37-A41 PolarHBondContact O-N 3.44Å; V38-A41 PolarHBondContact O-N 3.05Å; A41-I44 PolarHBondContact O-N 3.24Å; A41-F45 WeakPolarHBondContact O-CB 3.31Å; A41-F45 PolarHBondContact O-N 3.37Å
42T36.1Very low35.2Very low69 Ų69102.1 Ų102.142%0.42354%0.538SS..Hα-helixtrans-63.8-41.8176.7-47.50000112.1V38 N39 F45 Q46V38-T42 PolarHBondContact O-N 2.89Å; V38-T42 PolarHBondContact O-OG1 2.96Å; V38-T42 VanDerWaalsContact O-OG1 3.08Å; N39-T42 PolarHBondContact O-N 3.37Å; T42-F45 PolarHBondContact O-N 3.45Å; T42-Q46 WeakPolarHBondContact O-CB 3.25Å; T42-Q46 WeakPolarHBondContact O-CG 3.13Å; T42-Q46 PolarHBondContact O-N 3.36Å
43L38.1Very low35.9Very low80 Ų8099.9 Ų99.942%0.41952%0.52SS..Hα-helixtrans-64.5-41.3175.6-102.9139.6000112.4L35 N39 A40 F45 Q46 D47L35-L43 HydrophobicContact CD2-CD1 3.58Å; N39-L43 WeakPolarHBondContact O-CB 3.31Å; N39-L43 PolarHBondContact O-N 3.19Å; A40-L43 PolarHBondContact O-N 3.3Å; L43-F45 VanDerWaalsContact C-N 3.35Å; L43-Q46 PolarHBondContact O-N 2.72Å; L43-D47 WeakPolarHBondContact O-CB 3.28Å; L43-D47 PolarHBondContact O-N 3.3Å
44I36.6Very low36.7Very low81 Ų8194.8 Ų94.842%0.41550%0.501SS..Hα-helixtrans-64.1-42.6175.4-68.5164.2000110.5A40 A41 D47 L48A40-I44 WeakPolarHBondContact O-CD1 3.15Å; A40-I44 WeakPolarHBondContact O-CG1 3.34Å; A40-I44 PolarHBondContact O-N 3.47Å; A41-I44 PolarHBondContact O-N 3.24Å; I44-D47 PolarHBondContact O-N 3.29Å; I44-L48 VanDerWaalsContact O-CB 3.31Å; I44-L48 WeakPolarHBondContact O-CB 3.42Å; I44-L48 PolarHBondContact O-N 3.44Å
45F37.8Very low37.2Very low127 Ų12792.6 Ų92.656%0.55750%0.497SS*.Hα-helixtrans-67.4-37.8179.4-152.1-95.5000111.9A41 T42 L43 L48 L49A41-F45 WeakPolarHBondContact O-CB 3.31Å; A41-F45 PolarHBondContact O-N 3.37Å; T42-F45 PolarHBondContact O-N 3.45Å; L43-F45 VanDerWaalsContact C-N 3.35Å; F45-L48 PolarHBondContact O-N 3.17Å; F45-L49 HydrophobicContact CD1-CD1 3.57Å; F45-L49 HydrophobicContact CD1-CG 4.21Å; F45-L49 HydrophobicContact CE1-CD1 3.76Å; F45-L49 HydrophobicContact CE1-CG 4.26Å; F45-L49 WeakPolarHBondContact O-CB 3.33Å; F45-L49 WeakPolarHBondContact O-CG 3.42Å; F45-L49 PolarHBondContact O-N 3.28Å
46Q41.6Very low37.5Very low107 Ų10789.9 Ų89.950%0.549%0.49SS..Hα-helixtrans-66.2-45173-78.3-178.2-8.700112.1T42 L43 L48 L49 L50T42-Q46 WeakPolarHBondContact O-CB 3.25Å; T42-Q46 WeakPolarHBondContact O-CG 3.13Å; T42-Q46 PolarHBondContact O-N 3.36Å; L43-Q46 PolarHBondContact O-N 2.72Å; Q46-L48 VanDerWaalsContact C-N 3.31Å; Q46-L48 PolarHBondContact O-N 3.27Å; Q46-L49 PolarHBondContact O-N 2.89Å; Q46-L50 WeakPolarHBondContact O-CB 3.43Å; Q46-L50 WeakPolarHBondContact O-CD1 3.26Å; Q46-L50 PolarHBondContact O-N 3.48Å
47D43Very low38.1Very low79 Ų7986 Ų8642%0.42247%0.469SS..Hα-helixtrans-64.7-35.3176.1-86.8-11.8000112L43 I44 S51L43-D47 WeakPolarHBondContact O-CB 3.28Å; L43-D47 PolarHBondContact O-N 3.3Å; I44-D47 PolarHBondContact O-N 3.29Å; D47-S51 VanDerWaalsContact O-CB 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.13Å; D47-S51 PolarHBondContact O-N 3.49Å; D47-S51 PolarHBondContact O-OG 3.47Å
48L37.8Very low38.5Very low108 Ų10881.7 Ų81.757%0.56545%0.452SS*.Hα-helixtrans-67.1-46.7174.3-155.693.3000110.6I44 F45 Q46 S51 V52I44-L48 VanDerWaalsContact O-CB 3.31Å; I44-L48 WeakPolarHBondContact O-CB 3.42Å; I44-L48 PolarHBondContact O-N 3.44Å; F45-L48 PolarHBondContact O-N 3.17Å; Q46-L48 VanDerWaalsContact C-N 3.31Å; Q46-L48 PolarHBondContact O-N 3.27Å; L48-S51 PolarHBondContact O-N 3.43Å; L48-V52 WeakPolarHBondContact O-CB 3.14Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 2.85Å
49L40.9Very low38.9Very low74 Ų7481.5 Ų81.539%0.38745%0.447SS..Hα-helixtrans-61.2-45.5175-82.3164.2000111.5F45 Q46 S51 V52 V53F45-L49 HydrophobicContact CD1-CD1 3.57Å; F45-L49 HydrophobicContact CD1-CG 4.21Å; F45-L49 HydrophobicContact CE1-CD1 3.76Å; F45-L49 HydrophobicContact CE1-CG 4.26Å; F45-L49 WeakPolarHBondContact O-CB 3.33Å; F45-L49 WeakPolarHBondContact O-CG 3.42Å; F45-L49 PolarHBondContact O-N 3.28Å; Q46-L49 PolarHBondContact O-N 2.89Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.35Å; L49-V52 PolarHBondContact O-N 3.06Å; L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.43Å; L49-V53 WeakPolarHBondContact O-CG2 3.14Å; L49-V53 PolarHBondContact O-N 3.1Å
50L45Very low39Very low77 Ų7780 Ų8040%0.40344%0.438SS..Hα-helixtrans-63.6-35.9175-98.9120000111.9Q46 R54Q46-L50 WeakPolarHBondContact O-CB 3.43Å; Q46-L50 WeakPolarHBondContact O-CD1 3.26Å; Q46-L50 PolarHBondContact O-N 3.48Å; L50-R54 WeakPolarHBondContact O-CB 3.17Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.41Å
51S41.2Very low39.2Very low57 Ų5780.2 Ų80.240%0.39944%0.437SS..Hα-helixtrans-69.2-42.3175.9-63.50000111.5D47 L48 L49 R54 L55D47-S51 VanDerWaalsContact O-CB 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.13Å; D47-S51 PolarHBondContact O-N 3.49Å; D47-S51 PolarHBondContact O-OG 3.47Å; L48-S51 PolarHBondContact O-N 3.43Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.35Å; S51-R54 PolarHBondContact O-N 3.28Å; S51-L55 WeakPolarHBondContact O-CB 3.32Å; S51-L55 PolarHBondContact O-N 3.42Å
52V35.6Very low39.4Very low94 Ų9480.9 Ų80.957%0.5744%0.435SS*.Hα-helixtrans-66.7-41.1175.3171.80000110.8L48 L49 L55 G56L48-V52 WeakPolarHBondContact O-CB 3.14Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 2.85Å; L49-V52 PolarHBondContact O-N 3.06Å; V52-L55 PolarHBondContact O-N 3.42Å; V52-G56 PolarHBondContact O-N 2.97Å
53V41.4Very low39.2Very low80 Ų8079.8 Ų79.849%0.48543%0.428SS..Hα-helixtrans-66-40174.6169.70000110.5L49 G56 I57L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.43Å; L49-V53 WeakPolarHBondContact O-CG2 3.14Å; L49-V53 PolarHBondContact O-N 3.1Å; V53-G56 PolarHBondContact O-N 3.3Å; V53-I57 HydrophobicContact CG1-CD1 3.52Å; V53-I57 HydrophobicContact CG1-CG1 4.23Å; V53-I57 VanDerWaalsContact O-CB 3.28Å; V53-I57 WeakPolarHBondContact O-CB 3.42Å; V53-I57 WeakPolarHBondContact O-CD1 3.17Å; V53-I57 WeakPolarHBondContact O-CG1 3.29Å; V53-I57 PolarHBondContact O-N 3.08Å
54R43.1Very low38.8Very low112 Ų11277.8 Ų77.842%0.42342%0.424SS..Hα-helixtrans-68.5-38.9174.7-80.2172.3163.3-178.8-7.9112.9L50 S51 N58 E133L50-R54 WeakPolarHBondContact O-CB 3.17Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.41Å; S51-R54 PolarHBondContact O-N 3.28Å; R54-N58 VanDerWaalsContact O-CB 3.29Å; R54-N58 WeakPolarHBondContact O-CB 3.19Å; R54-N58 PolarHBondContact O-N 3.42Å; R54-N58 PolarHBondContact O-ND2 3.46Å; R54-E133 IonicContact CZ-OE1 3.48Å; R54-E133 IonicContact NE-OE1 3.4Å; R54-E133 PolarHBondContact NE-OE1 3.33Å; R54-E133 IonicContact NH2-OE1 2.78Å; R54-E133 PolarHBondContact NH2-OE1 2.98Å
55L42.1Very low38.7Very low135 Ų13580.7 Ų80.771%0.70744%0.439SS*.Hα-helixtrans-64-48.4173.7-134.989.2000109.3S51 V52 I57 N58 D59S51-L55 WeakPolarHBondContact O-CB 3.32Å; S51-L55 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 3.42Å; L55-I57 PolarHBondContact O-N 3.36Å; L55-N58 PolarHBondContact O-N 3.44Å; L55-D59 VanDerWaalsContact O-CB 3.22Å; L55-D59 WeakPolarHBondContact O-CB 3.23Å; L55-D59 PolarHBondContact O-N 3.26Å
56G38.9Very low38.3Very low32 Ų3280 Ų8033%0.3344%0.44SS..Hα-helixtrans-61.8-40.3177.300000112.5V52 V53 M60V52-G56 PolarHBondContact O-N 2.97Å; V53-G56 PolarHBondContact O-N 3.3Å; G56-M60 WeakPolarHBondContact O-CA 3.4Å; G56-M60 WeakPolarHBondContact O-CB 3.37Å; G56-M60 WeakPolarHBondContact O-CG 3.38Å; G56-M60 PolarHBondContact O-N 2.91Å
57I44.1Very low37.7Very low41 Ų4180.5 Ų80.521%0.2144%0.441CS..Hα-helixtrans-71.1-39.4175.8-70.4166.4000111.1V53 L55 D59 M60 C61 I129V53-I57 HydrophobicContact CG1-CD1 3.52Å; V53-I57 HydrophobicContact CG1-CG1 4.23Å; V53-I57 VanDerWaalsContact O-CB 3.28Å; V53-I57 WeakPolarHBondContact O-CB 3.42Å; V53-I57 WeakPolarHBondContact O-CD1 3.17Å; V53-I57 WeakPolarHBondContact O-CG1 3.29Å; V53-I57 PolarHBondContact O-N 3.08Å; L55-I57 PolarHBondContact O-N 3.36Å; I57-D59 VanDerWaalsContact C-N 3.34Å; I57-M60 CarbonylContact O-C 3.6Å; I57-M60 PolarHBondContact O-N 2.8Å; I57-C61 VanDerWaalsContact O-CB 3.31Å; I57-C61 WeakPolarHBondContact O-CB 3.42Å; I57-C61 PolarHBondContact O-N 3.39Å; I57-C61 PolarHBondContact O-SG 3.4Å; I57-I129 HydrophobicContact CD1-CD1 4.23Å
58N41.4Very low37.2Very low74 Ų7480.7 Ų80.740%0.39645%0.446SS..Hα-helixtrans-66.4-40.4175.1-80.9-25.4000111.5R54 L55 C61 T62 R130R54-N58 VanDerWaalsContact O-CB 3.29Å; R54-N58 WeakPolarHBondContact O-CB 3.19Å; R54-N58 PolarHBondContact O-N 3.42Å; R54-N58 PolarHBondContact O-ND2 3.46Å; L55-N58 PolarHBondContact O-N 3.44Å; N58-C61 PolarHBondContact O-N 3.3Å; N58-T62 WeakPolarHBondContact O-CB 3.37Å; N58-T62 PolarHBondContact O-N 2.78Å; N58-T62 PolarHBondContact O-OG1 3.44Å; N58-R130 PolarHBondContact OD1-NH2 2.97Å
59D37.6Very low36.8Very low107 Ų10781.2 Ų81.257%0.57245%0.45SS*.Hα-helixtrans-69.2-38.6175.6-158.133.4000110.7L55 I57 T62 T63L55-D59 VanDerWaalsContact O-CB 3.22Å; L55-D59 WeakPolarHBondContact O-CB 3.23Å; L55-D59 PolarHBondContact O-N 3.26Å; I57-D59 VanDerWaalsContact C-N 3.34Å; D59-T62 PolarHBondContact O-N 3.27Å; D59-T63 WeakPolarHBondContact O-CA 3.43Å; D59-T63 WeakPolarHBondContact O-CB 3.31Å; D59-T63 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-OG1 2.87Å
60M34.4Very low36.3Very low59 Ų5979.6 Ų79.629%0.29145%0.447SS..Hα-helixtrans-69.4-35.3173.7-79.8-172.378.900112.9G56 I57 T62 A64 C71 L75G56-M60 WeakPolarHBondContact O-CA 3.4Å; G56-M60 WeakPolarHBondContact O-CB 3.37Å; G56-M60 WeakPolarHBondContact O-CG 3.38Å; G56-M60 PolarHBondContact O-N 2.91Å; I57-M60 CarbonylContact O-C 3.6Å; I57-M60 PolarHBondContact O-N 2.8Å; M60-T62 VanDerWaalsContact C-N 3.34Å; M60-A64 WeakPolarHBondContact O-CA 3.21Å; M60-A64 WeakPolarHBondContact O-CB 3.37Å; M60-A64 PolarHBondContact O-N 3.41Å; M60-C71 WeakPolarHBondContact CE-SG 3.47Å; M60-L75 HydrophobicContact CE-CD1 3.75Å; M60-L75 HydrophobicContact CE-CD2 3.79Å; M60-L75 HydrophobicContact CE-CG 3.69Å; M60-L75 HydrophobicContact SD-CD2 4.47Å
61C34.9Very low35.7Very low30 Ų3076.5 Ų76.520%0.20343%0.432CS..Hα-helixtrans-68.5-40173.1-75.60000110I57 N58 I65I57-C61 VanDerWaalsContact O-CB 3.31Å; I57-C61 WeakPolarHBondContact O-CB 3.42Å; I57-C61 PolarHBondContact O-N 3.39Å; I57-C61 PolarHBondContact O-SG 3.4Å; N58-C61 PolarHBondContact O-N 3.3Å; C61-I65 WeakPolarHBondContact O-CB 3.22Å; C61-I65 WeakPolarHBondContact O-CD1 3.49Å; C61-I65 WeakPolarHBondContact O-CG1 3.36Å; C61-I65 PolarHBondContact O-N 3.06Å; C61-I65 VanDerWaalsContact O-N 3.11Å
62T36.2Very low35.3Very low75 Ų7578.4 Ų78.446%0.4644%0.436SS..Hα-helixtrans-67.8-42.5176.9-50.70000110.7N58 D59 M60 I65 L66N58-T62 WeakPolarHBondContact O-CB 3.37Å; N58-T62 PolarHBondContact O-N 2.78Å; N58-T62 PolarHBondContact O-OG1 3.44Å; D59-T62 PolarHBondContact O-N 3.27Å; M60-T62 VanDerWaalsContact C-N 3.34Å; T62-I65 PolarHBondContact O-N 2.9Å; T62-L66 HydrophobicContact CG2-CD1 4.02Å; T62-L66 WeakPolarHBondContact O-CB 3.43Å; T62-L66 WeakPolarHBondContact O-CD1 3.5Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.25Å; T62-L66 PolarHBondContact O-N 2.94Å; T62-L66 VanDerWaalsContact O-N 3.15Å
63T31.1Very low35.3Very low46 Ų4679.3 Ų79.328%0.28244%0.438SS..Hα-helixtrans-76.6-33.2-179.3-53.60000112.2D59 I65 L66 F67 A70D59-T63 WeakPolarHBondContact O-CA 3.43Å; D59-T63 WeakPolarHBondContact O-CB 3.31Å; D59-T63 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-OG1 2.87Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-L66 PolarHBondContact O-N 3.19Å; T63-F67 CarbonylContact O-C 3.37Å; T63-F67 WeakPolarHBondContact O-CA 3.47Å; T63-F67 PolarHBondContact O-N 3.13Å; T63-A70 HydrophobicContact CG2-CB 4.38Å
64A30.4Very low34.9Very low39 Ų3984.7 Ų84.732%0.32245%0.45SS..Hα-helixtrans-74.2-25.6174.400000112.6M60 C71M60-A64 WeakPolarHBondContact O-CA 3.21Å; M60-A64 WeakPolarHBondContact O-CB 3.37Å; M60-A64 PolarHBondContact O-N 3.41Å; A64-C71 HydrophobicContact CB-CB 4.31Å
65I34Very low34.5Very low142 Ų14281.3 Ų81.373%0.72844%0.44SS*.Hα-helixtrans-72.8-34.5169.7-70.8166.3000110.8C61 T62 T63C61-I65 WeakPolarHBondContact O-CB 3.22Å; C61-I65 WeakPolarHBondContact O-CD1 3.49Å; C61-I65 WeakPolarHBondContact O-CG1 3.36Å; C61-I65 PolarHBondContact O-N 3.06Å; C61-I65 VanDerWaalsContact O-N 3.11Å; T62-I65 PolarHBondContact O-N 2.9Å; T63-I65 VanDerWaalsContact C-N 3.34Å
66L29.3Very low34.1Very low111 Ų11180.1 Ų80.158%0.58143%0.433SS*.Hα-helixtrans-92.6-30.3-175.8-70.2165.3000114.1T62 T63T62-L66 HydrophobicContact CG2-CD1 4.02Å; T62-L66 WeakPolarHBondContact O-CB 3.43Å; T62-L66 WeakPolarHBondContact O-CD1 3.5Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.25Å; T62-L66 PolarHBondContact O-N 2.94Å; T62-L66 VanDerWaalsContact O-N 3.15Å; T63-L66 PolarHBondContact O-N 3.19Å
67F28.1Very low33.7Very low119 Ų11981.9 Ų81.952%0.52244%0.439SS..  trans-152.781.9-172-60.9-76.6000111.2T63 D69 A70 C71T63-F67 CarbonylContact O-C 3.37Å; T63-F67 WeakPolarHBondContact O-CA 3.47Å; T63-F67 PolarHBondContact O-N 3.13Å; F67-D69 PolarHBondContact O-N 3.05Å; F67-A70 HydrophobicContact CB-CB 3.67Å; F67-A70 PolarHBondContact O-N 3.45Å; F67-A70 VanDerWaalsContact O-N 3.11Å; F67-C71 PolarHBondContact O-N 2.79Å
68P32.6Very low33.2Very low82 Ų8284.2 Ų84.253%0.53245%0.452SS..Hα-helixtrans-57.3-33.8-179.521.1-31.8000113C71P68-C71 WeakPolarHBondContact O-CB 3.35Å; P68-C71 PolarHBondContact O-N 3.27Å
69D30.9Very low32.6Very low120 Ų12089 Ų8964%0.64247%0.465SS*.Hα-helixtrans-74.1-26.4180-61-43.3000113.6F67 C71 N73F67-D69 PolarHBondContact O-N 3.05Å; D69-C71 VanDerWaalsContact C-N 3.34Å; D69-N73 PolarHBondContact O-ND2 3.09Å
70A30.5Very low32.1Very low40 Ų4087.3 Ų87.333%0.33146%0.462SS..Hα-helixtrans-73.6-29.8177.100000112T63 F67 I72 N73 W74T63-A70 HydrophobicContact CG2-CB 4.38Å; F67-A70 HydrophobicContact CB-CB 3.67Å; F67-A70 PolarHBondContact O-N 3.45Å; F67-A70 VanDerWaalsContact O-N 3.11Å; A70-I72 VanDerWaalsContact C-N 3.35Å; A70-I72 PolarHBondContact O-N 3.15Å; A70-N73 PolarHBondContact O-N 3.37Å; A70-W74 PolarHBondContact O-N 2.98Å
71C31.9Very low31.9Very low12 Ų1290.9 Ų90.98%0.08148%0.478CS..Hα-helixtrans-65.6-37.2179.8-163.30000112.2M60 A64 F67 P68 D69 L75M60-C71 WeakPolarHBondContact CE-SG 3.47Å; A64-C71 HydrophobicContact CB-CB 4.31Å; F67-C71 PolarHBondContact O-N 2.79Å; P68-C71 WeakPolarHBondContact O-CB 3.35Å; P68-C71 PolarHBondContact O-N 3.27Å; D69-C71 VanDerWaalsContact C-N 3.34Å; C71-L75 WeakPolarHBondContact O-CG 3.07Å; C71-L75 PolarHBondContact O-N 3.16Å
72I33.6Very low31.5Very low97 Ų9793.8 Ų93.850%0.49750%0.498SS..Hα-helixtrans-65.9-46.8179-64.6173000110.5A70 W74 L75 L76A70-I72 VanDerWaalsContact C-N 3.35Å; A70-I72 PolarHBondContact O-N 3.15Å; I72-W74 VanDerWaalsContact C-N 3.3Å; I72-W74 PolarHBondContact O-N 3.19Å; I72-L75 PolarHBondContact O-N 2.76Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CD1 3.36Å; I72-L76 PolarHBondContact O-N 3.46Å
73N33.7Very low31.1Very low113 Ų113100.5 Ų100.560%0.60452%0.515SS*.Hα-helixtrans-68.2-27.4-177.4-73.6-47.8000113.5D69 A70 P77D69-N73 PolarHBondContact O-ND2 3.09Å; A70-N73 PolarHBondContact O-N 3.37Å; N73-P77 WeakPolarHBondContact O-CD 3.31Å
74W34.2Very low30.8Very low192 Ų192103.9 Ų103.973%0.72753%0.53SS*.Hα-helixtrans-79.6-26.6175.6-114.380.3000113.7A70 I72 P77A70-W74 PolarHBondContact O-N 2.98Å; I72-W74 VanDerWaalsContact C-N 3.3Å; I72-W74 PolarHBondContact O-N 3.19Å; W74-P77 WeakPolarHBondContact O-CD 3.2Å; W74-P77 WeakPolarHBondContact O-CG 3.12Å
75L35Very low30.7Very low41 Ų41110.8 Ų110.822%0.21555%0.548CS..Hα-helixtrans-78.9-34.8179.1-80.6167.7000112.8M60 C71 I72 L78 Y79M60-L75 HydrophobicContact CE-CD1 3.75Å; M60-L75 HydrophobicContact CE-CD2 3.79Å; M60-L75 HydrophobicContact CE-CG 3.69Å; M60-L75 HydrophobicContact SD-CD2 4.47Å; C71-L75 WeakPolarHBondContact O-CG 3.07Å; C71-L75 PolarHBondContact O-N 3.16Å; I72-L75 PolarHBondContact O-N 2.76Å; L75-L78 HydrophobicContact CD2-CD1 4.42Å; L75-L78 WeakPolarHBondContact O-CB 3.37Å; L75-L78 PolarHBondContact O-N 3.39Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE2 4.27Å; L75-Y79 HydrophobicContact CD2-CE2 4.5Å; L75-Y79 VanDerWaalsContact O-CD2 3.32Å; L75-Y79 WeakPolarHBondContact O-CD2 3.08Å; L75-Y79 PolarHBondContact O-N 3.44Å
76L32.4Very low30.4Very low110 Ų110108.6 Ų108.658%0.57654%0.544SS*.Hα-helixtrans-46.5-46.1178.1-99.8125.9000115I72 S80I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CD1 3.36Å; I72-L76 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact O-N 3.21Å
77P31.3Very low30.1Very low69 Ų69109.2 Ų109.245%0.44855%0.547SS..Hα-helixtrans-75.8-23.6177.325.2-32.1000114.5N73 W74 S80 Q81N73-P77 WeakPolarHBondContact O-CD 3.31Å; W74-P77 WeakPolarHBondContact O-CD 3.2Å; W74-P77 WeakPolarHBondContact O-CG 3.12Å; P77-S80 PolarHBondContact O-N 2.85Å; P77-S80 PolarHBondContact O-OG 2.81Å; P77-S80 VanDerWaalsContact O-OG 3.07Å; P77-Q81 PolarHBondContact O-N 3.45Å
78L33.4Very low30Very low91 Ų91110.1 Ų110.148%0.47656%0.556SS.*Hα-helixtrans-72.8-35.1173.3-73.3165.1000111.2L75 S80 Q81 C82L75-L78 HydrophobicContact CD2-CD1 4.42Å; L75-L78 WeakPolarHBondContact O-CB 3.37Å; L75-L78 PolarHBondContact O-N 3.39Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.41Å; L78-Q81 PolarHBondContact O-N 2.8Å; L78-C82 WeakPolarHBondContact O-CB 3.08Å; L78-C82 PolarHBondContact O-N 2.89Å
79Y29.6Very low29.8Very low173 Ų173110 Ų11068%0.67856%0.557SS**Hα-helixtrans-63.8-33.2173.3-88.7-86.2000113L75L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE2 4.27Å; L75-Y79 HydrophobicContact CD2-CE2 4.5Å; L75-Y79 VanDerWaalsContact O-CD2 3.32Å; L75-Y79 WeakPolarHBondContact O-CD2 3.08Å; L75-Y79 PolarHBondContact O-N 3.44Å
80S27.5Very low29.6Very low73 Ų73110.8 Ų110.851%0.5156%0.557SS.*Hα-helixtrans-76.9-30.2178.179.50000113L76 P77 L78L76-S80 PolarHBondContact O-N 3.21Å; P77-S80 PolarHBondContact O-N 2.85Å; P77-S80 PolarHBondContact O-OG 2.81Å; P77-S80 VanDerWaalsContact O-OG 3.07Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.41Å
81Q28.4Very low29.3Very low134 Ų134114.9 Ų114.963%0.62658%0.577SS**Hα-helixtrans-84.1-24.3176.4-67.4-166.41.700113.8P77 L78 R83 I84P77-Q81 PolarHBondContact O-N 3.45Å; L78-Q81 PolarHBondContact O-N 2.8Å; Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 2.87Å; Q81-I84 PolarHBondContact O-N 2.72Å
82C28.2Very low29.1Very low91 Ų91118.1 Ų118.162%0.61561%0.605SS**Hα-helixtrans-70.2-25.9177.1-126.80000113.2L78 I84L78-C82 WeakPolarHBondContact O-CB 3.08Å; L78-C82 PolarHBondContact O-N 2.89Å; C82-I84 VanDerWaalsContact C-N 3.29Å; C82-I84 PolarHBondContact O-N 3.49Å
83R27.1Very low28.7Very low215 Ų215120.3 Ų120.381%0.81161%0.613SS**THydrogen-bonded Turntrans-68.5-24.3173-99.9-169.9178-159.10.9113.7Q81Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 2.87Å
84I25.8Very low28.4Very low118 Ų118123.3 Ų123.361%0.60562%0.623SS**THydrogen-bonded Turntrans-87.6-20.1-174.5-61.9174.2000111.7Q81 C82Q81-I84 PolarHBondContact O-N 2.72Å; C82-I84 VanDerWaalsContact C-N 3.29Å; C82-I84 PolarHBondContact O-N 3.49Å
85R27.8Very low27.9Very low184 Ų184119.1 Ų119.169%0.69462%0.623SS**THydrogen-bonded Turntrans-89.5-7.2178.8-76.9-172.5172.5-165.7-0.6115.4I87R85-I87 VanDerWaalsContact C-N 3.28Å; R85-I87 PolarHBondContact O-N 3.4Å
86C26.3Very low27.5Very low96 Ų96122.2 Ų122.265%0.64964%0.643SS**THydrogen-bonded Turntrans-72.5-18.3173.6-76.40000113.5
87I24.7Very low27.1Very low124 Ų124121.9 Ų121.964%0.63665%0.65SS**SBendtrans-90.3-17.5-177.2-61.3173.8000112.2R85R85-I87 VanDerWaalsContact C-N 3.28Å; R85-I87 PolarHBondContact O-N 3.4Å
88L25.3Very low26.7Very low137 Ų137126.2 Ų126.272%0.71767%0.67SS**SBendtrans-93.9-4.9179.4-88.7124.3000114.4
89S27.3Very low26.3Very low80 Ų80129.6 Ų129.656%0.55969%0.688SS**SBendtrans-88.9-10.4176.7-165.10000113.9
90E26.8Very low26.2Very low137 Ų137126.3 Ų126.364%0.6468%0.681SS**SBendtrans-77.5-19.7175.4-80-178.1144.200113
91V25.2Very low25.9Very low125 Ų125127.1 Ų127.176%0.75870%0.701SS**THydrogen-bonded Turntrans-86.8-11.2-176.4-172.20000112.7
92A27Very low25.8Very low80 Ų80125 Ų12566%0.66171%0.706SS**THydrogen-bonded Turntrans-96.22.5176.800000114H94A92-H94 VanDerWaalsContact C-N 3.33Å; A92-H94 PolarHBondContact O-N 2.88Å
93Q26.8Very low25.7Very low144 Ų144123.9 Ų123.967%0.67370%0.704SS**  trans-83.65.7-175.5-86174.6-65.700115.3
94H25.6Very low25.5Very low176 Ų176118.7 Ų118.782%0.81570%0.699SS**SBendtrans-100.910.8-168.6-103.5-67.3000117.6A92A92-H94 VanDerWaalsContact C-N 3.33Å; A92-H94 PolarHBondContact O-N 2.88Å
95S24.3Very low25.5Very low104 Ų104119.2 Ų119.273%0.72771%0.708SS**SBendtrans-140.211.9-173.954.70000118.4
96V26.6Very low25.5Very low105 Ų105114.8 Ų114.864%0.63671%0.705SS**  trans-137.961.1176.2-162.40000111.8N98V96-N98 PolarHBondContact O-N 2.79Å
97S23.4Very low25.6Very low103 Ų103113.6 Ų113.672%0.7270%0.698SS**THydrogen-bonded Turntrans-85.113.1-173.7-54.30000116.3
98N24.1Very low25.7Very low161 Ų161113.6 Ų113.686%0.86170%0.698SS**THydrogen-bonded Turntrans-133.918.6-172.6-87.8-18.2000117.3V96V96-N98 PolarHBondContact O-N 2.79Å
99L25.1Very low25.8Very low162 Ų162114.2 Ų114.285%0.84870%0.701SS**SBendtrans-143.16.7170.4-138.177.6000114.9
100L26.6Very low25.9Very low104 Ų104118.7 Ų118.755%0.54571%0.711SS.*  trans-99.113.8-178.1-100.183.7000114.2A102L100-A102 PolarHBondContact O-N 3.31Å; L100-A102 VanDerWaalsContact O-N 3.13Å
101G22.2Very low25.9Very low89 Ų89120.4 Ų120.492%0.91871%0.711SS**THydrogen-bonded Turntrans-71.44.2178.400000116.1
102A24.8Very low26Very low89 Ų89120.4 Ų120.474%0.73671%0.707SS**THydrogen-bonded Turntrans-134.48.2-18000000114.2L100L100-A102 PolarHBondContact O-N 3.31Å; L100-A102 VanDerWaalsContact O-N 3.13Å
103A25.7Very low26.2Very low69 Ų69122.4 Ų122.457%0.5771%0.71SS**SBendtrans-116.72.8-176.300000114.2
104C23.9Very low26.2Very low106 Ų106123.7 Ų123.772%0.71671%0.714SS**SBendtrans-106.310.2-176.5-78.90000115.1
105T26.1Very low26.2Very low128 Ų128121.7 Ų121.779%0.78571%0.709SS**SBendtrans-124.63.8-177.7480000115.4
106S27.4Very low26.3Very low91 Ų91120.1 Ų120.164%0.63670%0.702SS**  trans-107.958.5170.756.50000111.7I108S106-I108 PolarHBondContact O-N 3.42Å
107S27.6Very low26.3Very low72 Ų72121 Ų12150%0.50370%0.703SS.*THydrogen-bonded Turntrans-69.535.3173.752.60000114.2R111S107-R111 VanDerWaalsContact O-CD 3.23Å; S107-R111 WeakPolarHBondContact O-CD 3.45Å; S107-R111 VanDerWaalsContact O-CG 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.28Å
108I27.5Very low26.5Very low124 Ų124123 Ų12364%0.63670%0.704SS**THydrogen-bonded Turntrans-105-28.9-176.6-71167.5000112S106S106-I108 PolarHBondContact O-N 3.42Å
109L28Very low26.5Very low149 Ų149120.3 Ų120.378%0.7870%0.698SS**THydrogen-bonded Turntrans-80-28.2178.8-127.385.3000113.5R111L109-R111 VanDerWaalsContact C-N 3.35Å
110F28.9Very low26.6Very low175 Ų175119.5 Ų119.577%0.76870%0.695SS**THydrogen-bonded Turntrans-84.3-11.2177.2-130.3-95.3000112.9
111R27.1Very low26.6Very low172 Ų172115.8 Ų115.865%0.64968%0.681SS**THydrogen-bonded Turntrans-91.5-16.1176.1-75.5-174.2178.2-122.1-0.4113.8S107 L109 V113 F114S107-R111 VanDerWaalsContact O-CD 3.23Å; S107-R111 WeakPolarHBondContact O-CD 3.45Å; S107-R111 VanDerWaalsContact O-CG 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.28Å; L109-R111 VanDerWaalsContact C-N 3.35Å; R111-V113 VanDerWaalsContact C-N 3.31Å; R111-V113 PolarHBondContact O-N 2.88Å; R111-F114 PolarHBondContact O-N 3.34Å
112L26.8Very low26.9Very low125 Ų125115.6 Ų115.665%0.65467%0.665SS**THydrogen-bonded Turntrans-76.9-15.5176.9-77.4166.7000113.9
113V30.7Very low27Very low122 Ų122117.8 Ų117.874%0.73966%0.663SS**THydrogen-bonded Turntrans-85.3-13.6172.5179.40000111.8R111R111-V113 VanDerWaalsContact C-N 3.31Å; R111-V113 PolarHBondContact O-N 2.88Å
114F26.8Very low27.1Very low171 Ų171120.2 Ų120.275%0.7567%0.666SS**SBendtrans-108.71.6-173.1-94.4-87.8000114.7R111R111-F114 PolarHBondContact O-N 3.34Å
115L26.7Very low27.3Very low135 Ų135117.7 Ų117.771%0.70765%0.653SS**  trans-117.44.8-177.7-79.1165.2000114.4D117L115-D117 PolarHBondContact O-N 2.92Å
116A26.5Very low27.5Very low70 Ų70112.4 Ų112.458%0.57962%0.624SS**  trans-80.966165.400000109.1I118A116-I118 PolarHBondContact O-N 3.35Å
117D26.6Very low27.6Very low124 Ų124112.4 Ų112.466%0.66362%0.616SS**  trans-48.9124.3166.4-126.6-11000109L115L115-D117 PolarHBondContact O-N 2.92Å
118I27.5Very low27.6Very low145 Ų145112 Ų11274%0.74461%0.613SS**SBendtrans44.298.9135.5-53.3168.6000114.3A116A116-I118 PolarHBondContact O-N 3.35Å
119S24Very low27.8Very low104 Ų104109.7 Ų109.773%0.72760%0.602SS**SBendtrans91.1119.5179.681.20000114.8
120N28Very low27.9Very low146 Ų146108 Ų10878%0.78159%0.585SS**SBendtrans78.23.8175.6-65.3-19.3000120.8C122N120-C122 PolarHBondContact O-N 3.44Å
121G26.7Very low27.9Very low25 Ų25103 Ų10326%0.25857%0.569SS.*Hα-helixtrans-75.6-16.5-171.700000119.1A125G121-A125 PolarHBondContact O-N 2.98Å
122C27.2Very low27.9Very low86 Ų8699.5 Ų99.558%0.58157%0.566SS**Hα-helixtrans-77.3-30-173.6-750000114.1N120N120-C122 PolarHBondContact O-N 3.44Å
123L27Very low28Very low134 Ų13497.9 Ų97.970%0.70256%0.555SS**Hα-helixtrans-70.8-40.3174.3-103.8141.2000111.2L127L123-L127 HydrophobicContact CD2-CD1 3.98Å; L123-L127 VanDerWaalsContact O-CB 3.25Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CD1 3.38Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3Å
124L28Very low27.9Very low120 Ų12097.1 Ų97.163%0.62855%0.546SS*.Hα-helixtrans-73.8-30.9-176.8-76.5156000113.1S128L124-S128 VanDerWaalsContact O-CB 3.22Å; L124-S128 WeakPolarHBondContact O-CB 3.29Å; L124-S128 PolarHBondContact O-N 3.08Å; L124-S128 PolarHBondContact O-OG 3.5Å
125A29.1Very low27.9Very low53 Ų5394.2 Ų94.244%0.43854%0.538SS..Hα-helixtrans-72.8-39.4176.300000112.6G121 S128 I129G121-A125 PolarHBondContact O-N 2.98Å; A125-S128 WeakPolarHBondContact CA-OG 3.12Å; A125-S128 PolarHBondContact O-OG 3.32Å; A125-I129 WeakPolarHBondContact O-CD1 3.28Å; A125-I129 WeakPolarHBondContact O-CG1 3.16Å; A125-I129 PolarHBondContact O-N 3.46Å
126G29.4Very low27.9Very low17 Ų1792.8 Ų92.818%0.17554%0.539CS..Hα-helixtrans-73-37.4174.900000113.1R130G126-R130 PolarHBondContact O-N 2.88Å; G126-R130 VanDerWaalsContact O-N 3.15Å
127L29Very low27.9Very low92 Ų9291.8 Ų91.848%0.48253%0.527SS..Hα-helixtrans-68.6-37.6174.2-87.4153.9000112.3L123 I129 R130 V131L123-L127 HydrophobicContact CD2-CD1 3.98Å; L123-L127 VanDerWaalsContact O-CB 3.25Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CD1 3.38Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.44Å; L127-R130 PolarHBondContact O-N 3.4Å; L127-V131 WeakPolarHBondContact O-CB 3.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.22Å; L127-V131 PolarHBondContact O-N 2.89Å
128S28.7Very low27.8Very low62 Ų6288 Ų8843%0.43451%0.51SS..Hα-helixtrans-66.7-35.1177.857.50000112.3L124 A125 V132L124-S128 VanDerWaalsContact O-CB 3.22Å; L124-S128 WeakPolarHBondContact O-CB 3.29Å; L124-S128 PolarHBondContact O-N 3.08Å; L124-S128 PolarHBondContact O-OG 3.5Å; A125-S128 WeakPolarHBondContact CA-OG 3.12Å; A125-S128 PolarHBondContact O-OG 3.32Å; S128-V132 WeakPolarHBondContact O-CB 3.46Å; S128-V132 WeakPolarHBondContact O-CG2 3.28Å; S128-V132 PolarHBondContact O-N 2.91Å; S128-V132 VanDerWaalsContact O-N 3.09Å
129I31.2Very low27.8Very low77 Ų7784.3 Ų84.340%0.39549%0.489SS..Hα-helixtrans-68-40.5173.7-65.1167.7000111I57 A125 L127 E133I57-I129 HydrophobicContact CD1-CD1 4.23Å; A125-I129 WeakPolarHBondContact O-CD1 3.28Å; A125-I129 WeakPolarHBondContact O-CG1 3.16Å; A125-I129 PolarHBondContact O-N 3.46Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.44Å; I129-E133 PolarHBondContact O-N 3.25Å
130R29.7Very low28Very low114 Ų11482.2 Ų82.243%0.4347%0.468SS..Hα-helixtrans-72.3-35.4177.2-75.5-135.8175.3-161.41113.8N58 G126 L127 V132 E133 L134N58-R130 PolarHBondContact OD1-NH2 2.97Å; G126-R130 PolarHBondContact O-N 2.88Å; G126-R130 VanDerWaalsContact O-N 3.15Å; L127-R130 PolarHBondContact O-N 3.4Å; R130-V132 VanDerWaalsContact C-N 3.33Å; R130-E133 PolarHBondContact O-N 3.03Å; R130-L134 HydrophobicContact CB-CD1 4.47Å; R130-L134 WeakPolarHBondContact O-CB 3.5Å; R130-L134 VanDerWaalsContact O-CD1 3.32Å; R130-L134 WeakPolarHBondContact O-CD1 3.23Å; R130-L134 WeakPolarHBondContact O-CG 3.28Å; R130-L134 PolarHBondContact O-N 3.11Å
131V28.6Very low28Very low70 Ų7083.2 Ų83.242%0.42447%0.465SS..Hα-helixtrans-70.2-32.8176.3171.10000110.7L127 N135L127-V131 WeakPolarHBondContact O-CB 3.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.22Å; L127-V131 PolarHBondContact O-N 2.89Å; V131-N135 VanDerWaalsContact O-CB 3.26Å; V131-N135 WeakPolarHBondContact O-CB 2.95Å; V131-N135 PolarHBondContact O-N 3.41Å
132V28.7Very low28.1Very low97 Ų9786.8 Ų86.859%0.58848%0.482SS*.Hα-helixtrans-72.3-36.3173.4173.10000111.8S128 R130 C136S128-V132 WeakPolarHBondContact O-CB 3.46Å; S128-V132 WeakPolarHBondContact O-CG2 3.28Å; S128-V132 PolarHBondContact O-N 2.91Å; S128-V132 VanDerWaalsContact O-N 3.09Å; R130-V132 VanDerWaalsContact C-N 3.33Å; V132-C136 PolarHBondContact O-N 2.71Å; V132-C136 PolarHBondContact O-SG 3.27Å
133E28.6Very low28.1Very low91 Ų9189.2 Ų89.243%0.42548%0.483SS..Hα-helixtrans-73.7-32.9171.9-77.1-169.6148.700113.2R54 I129 R130 C136 S137R54-E133 IonicContact CZ-OE1 3.48Å; R54-E133 IonicContact NE-OE1 3.4Å; R54-E133 PolarHBondContact NE-OE1 3.33Å; R54-E133 IonicContact NH2-OE1 2.78Å; R54-E133 PolarHBondContact NH2-OE1 2.98Å; I129-E133 PolarHBondContact O-N 3.25Å; R130-E133 PolarHBondContact O-N 3.03Å; E133-C136 PolarHBondContact O-N 2.66Å; E133-S137 WeakPolarHBondContact O-CB 3.41Å; E133-S137 PolarHBondContact O-N 2.74Å
134L28Very low28.3Very low107 Ų10786.2 Ų86.256%0.5647%0.467SS*.Hα-helixtrans-76.7-34.5177.8-75.2162.2000112.7R130 C136 S137R130-L134 HydrophobicContact CB-CD1 4.47Å; R130-L134 WeakPolarHBondContact O-CB 3.5Å; R130-L134 VanDerWaalsContact O-CD1 3.32Å; R130-L134 WeakPolarHBondContact O-CD1 3.23Å; R130-L134 WeakPolarHBondContact O-CG 3.28Å; R130-L134 PolarHBondContact O-N 3.11Å; L134-C136 PolarHBondContact O-N 3.48Å; L134-S137 WeakPolarHBondContact O-CB 3.37Å; L134-S137 PolarHBondContact O-N 2.73Å; L134-S137 VanDerWaalsContact O-N 3.08Å
135N27.4Very low28.3Very low109 Ų10986.2 Ų86.258%0.58346%0.464SS*.Hα-helixtrans-72.5-13.6172-80.9-8.4000113.2V131V131-N135 VanDerWaalsContact O-CB 3.26Å; V131-N135 WeakPolarHBondContact O-CB 2.95Å; V131-N135 PolarHBondContact O-N 3.41Å
136C25.6Very low28.4Very low106 Ų10686.5 Ų86.572%0.71646%0.463SS*.THydrogen-bonded Turntrans-94.52.9168.5-65.90000113.4V132 E133 L134V132-C136 PolarHBondContact O-N 2.71Å; V132-C136 PolarHBondContact O-SG 3.27Å; E133-C136 PolarHBondContact O-N 2.66Å; L134-C136 PolarHBondContact O-N 3.48Å
137S26.7Very low28.4Very low49 Ų4988.9 Ų88.934%0.34347%0.471SS..  trans-110.27.8-170.7-159.40000114.1E133 L134 E139 F140E133-S137 WeakPolarHBondContact O-CB 3.41Å; E133-S137 PolarHBondContact O-N 2.74Å; L134-S137 WeakPolarHBondContact O-CB 3.37Å; L134-S137 PolarHBondContact O-N 2.73Å; L134-S137 VanDerWaalsContact O-N 3.08Å; S137-E139 PolarHBondContact O-N 3.47Å; S137-F140 PolarHBondContact O-N 3.46Å
138C23.9Very low28.3Very low43 Ų4386.4 Ų86.429%0.29146%0.461SS..THydrogen-bonded Turntrans-71.3-16.7-178.8-62.70000113.5F140 C184 F188C138-F140 VanDerWaalsContact C-N 3.31Å; C138-F140 PolarHBondContact O-N 2.78Å; C138-C184 VanDerWaalsContact CB-SG 3.52Å; C138-F188 HydrophobicContact CB-CE2 4.4Å; C138-F188 WeakPolarHBondContact SG-CE2 3.33Å
139E27.8Very low28.4Very low68 Ų6889.1 Ų89.132%0.31847%0.467SS..THydrogen-bonded Turntrans-80.4-5.6175.3-96.2156.6-136.500115S137 P180 S181S137-E139 PolarHBondContact O-N 3.47Å; E139-P180 WeakPolarHBondContact OE2-CA 3.38Å; E139-S181 VanDerWaalsContact OE1-C 3.3Å; E139-S181 VanDerWaalsContact OE1-CA 3.28Å; E139-S181 WeakPolarHBondContact OE1-CA 3.36Å; E139-S181 PolarHBondContact OE1-N 3.38Å; E139-S181 PolarHBondContact OE2-N 3.38Å
140F28Very low28.3Very low61 Ų6188.1 Ų88.127%0.26847%0.47SS..THydrogen-bonded Turntrans-106.4-21.4-166.6-144.7-137.2000115.8S137 C138 F176S137-F140 PolarHBondContact O-N 3.46Å; C138-F140 VanDerWaalsContact C-N 3.31Å; C138-F140 PolarHBondContact O-N 2.78Å; F140-F176 HydrophobicContact CD1-CB 4.46Å; F140-F176 HydrophobicContact CD1-CD1 4.1Å; F140-F176 AromaticContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CE1 4.15Å; F140-F176 AromaticContact CD1-CE2 3.9Å; F140-F176 HydrophobicContact CD1-CE2 3.9Å; F140-F176 AromaticContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CZ 4.06Å; F140-F176 HydrophobicContact CD2-CD1 4.25Å; F140-F176 HydrophobicContact CD2-CE1 4.43Å; F140-F176 HydrophobicContact CE1-CB 3.15Å; F140-F176 AromaticContact CE1-CD1 3.36Å; F140-F176 HydrophobicContact CE1-CD1 3.36Å; F140-F176 AromaticContact CE1-CD2 3.05Å; F140-F176 HydrophobicContact CE1-CD2 3.05Å; F140-F176 AromaticContact CE1-CE1 3.85Å; F140-F176 HydrophobicContact CE1-CE1 3.85Å; F140-F176 AromaticContact CE1-CE2 3.59Å; F140-F176 HydrophobicContact CE1-CE2 3.59Å; F140-F176 AromaticContact CE1-CG 2.94Å; F140-F176 HydrophobicContact CE1-CG 2.94Å; F140-F176 AromaticContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE2-CB 3.82Å; F140-F176 AromaticContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CD1 3.44Å; F140-F176 VanDerWaalsContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CE1 4.02Å; F140-F176 AromaticContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CZ-CB 2.81Å; F140-F176 AromaticContact CZ-CD1 3.14Å; F140-F176 HydrophobicContact CZ-CD1 3.14Å; F140-F176 AromaticContact CZ-CD2 3.69Å; F140-F176 HydrophobicContact CZ-CD2 3.69Å; F140-F176 AromaticContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE2 4.39Å; F140-F176 AromaticContact CZ-CG 2.99Å; F140-F176 HydrophobicContact CZ-CG 2.99Å
141K28.8Very low28.4Very low167 Ų16789 Ų8973%0.72648%0.481SS*.Hα-helixtrans-78.8-30.5-175.4-138177.2179.9-174.50111.6Q145K141-Q145 PolarHBondContact O-N 3.33Å
142T28.8Very low28.5Very low100 Ų10089.1 Ų89.161%0.61349%0.485SS*.Hα-helixtrans-70.2-29.9174.920.10000113.2S146T142-S146 PolarHBondContact O-N 2.89Å
143F27.3Very low28.7Very low136 Ų13691.1 Ų91.160%0.59649%0.492SS*.Hα-helixtrans-76.5-34.6-178.5-157.7-91000113S146F143-S146 PolarHBondContact O-OG 2.72Å
144L30.1Very low29Very low71 Ų7191.2 Ų91.237%0.37250%0.503SS..Hα-helixtrans-78.4-24.8177.4-79.5166.1000113.4C148 F176L144-C148 PolarHBondContact O-N 2.79Å; L144-F176 HydrophobicContact CD1-CE2 4.01Å; L144-F176 HydrophobicContact CD1-CZ 3.79Å; L144-F176 HydrophobicContact CD2-CZ 4.12Å; L144-F176 HydrophobicContact CG-CZ 4.12Å
145Q29.5Very low29.2Very low121 Ų12190.2 Ų90.257%0.56551%0.505SS*.Hα-helixtrans-82.1-36.9-177.7-153163.1-9.100111.6K141 E149K141-Q145 PolarHBondContact O-N 3.33Å; Q145-E149 PolarHBondContact O-N 3.5Å
146S29.8Very low29.3Very low59 Ų5990 Ų9041%0.41351%0.512SS..Hα-helixtrans-69.7-30.4174.169.80000113.1T142 F143 E149 A150T142-S146 PolarHBondContact O-N 2.89Å; F143-S146 PolarHBondContact O-OG 2.72Å; S146-E149 CarbonylContact O-C 3.57Å; S146-E149 PolarHBondContact O-N 3.5Å; S146-A150 WeakPolarHBondContact O-CB 3.32Å; S146-A150 PolarHBondContact O-N 3.49Å
147D29.5Very low29.8Very low66 Ų6691.3 Ų91.335%0.35352%0.517SS..Hα-helixtrans-78.7-31.3178.7-88.2-3000112.9E149 M151D147-E149 VanDerWaalsContact C-N 3.32Å; D147-M151 HydrophobicContact CB-CE 3.78Å; D147-M151 VanDerWaalsContact O-CB 3.25Å; D147-M151 WeakPolarHBondContact O-CB 3.47Å; D147-M151 WeakPolarHBondContact O-CE 3.42Å; D147-M151 PolarHBondContact O-N 2.66Å
148C27.1Very low30.5Very low41 Ų4194.4 Ų94.428%0.27754%0.539SS..Hα-helixtrans-68.2-32.6166.7-103.30000111.3L144 S152 C169L144-C148 PolarHBondContact O-N 2.79Å; C148-S152 VanDerWaalsContact O-CB 3.31Å; C148-S152 WeakPolarHBondContact O-CB 3.38Å; C148-S152 PolarHBondContact O-N 2.77Å; C148-S152 PolarHBondContact O-OG 2.84Å; C148-C169 WeakPolarHBondContact CB-SG 3.5Å; C148-C169 WeakPolarHBondContact SG-CB 3.46Å; C148-C169 CovalentContact SG-SG 2.09Å; C148-C169 PolarHBondContact SG-SG 2.94Å
149E30.3Very low31Very low119 Ų11995.3 Ų95.356%0.55656%0.555SS**Hα-helixtrans-78.7-25.9175.2-73.4177.4-179.600113.3Q145 S146 D147 S152 N153Q145-E149 PolarHBondContact O-N 3.5Å; S146-E149 CarbonylContact O-C 3.57Å; S146-E149 PolarHBondContact O-N 3.5Å; D147-E149 VanDerWaalsContact C-N 3.32Å; E149-S152 WeakPolarHBondContact CA-OG 3.46Å; E149-S152 PolarHBondContact O-OG 3.32Å; E149-S152 VanDerWaalsContact O-OG 3.12Å; E149-N153 PolarHBondContact O-ND2 3.45Å
150A31Very low31.1Very low55 Ų55101.2 Ų101.246%0.45558%0.583SS.*Hα-helixtrans-86.8-33.7176.600000112.8S146 S152 N153S146-A150 WeakPolarHBondContact O-CB 3.32Å; S146-A150 PolarHBondContact O-N 3.49Å; A150-S152 VanDerWaalsContact C-N 3.35Å; A150-N153 PolarHBondContact O-N 3.41Å
151M30.2Very low31.6Very low132 Ų132104.2 Ų104.265%0.6561%0.611SS**Hα-helixtrans-76.2-20.5172.5-79.9-178.4-96.300113.4D147 N153D147-M151 HydrophobicContact CB-CE 3.78Å; D147-M151 VanDerWaalsContact O-CB 3.25Å; D147-M151 WeakPolarHBondContact O-CB 3.47Å; D147-M151 WeakPolarHBondContact O-CE 3.42Å; D147-M151 PolarHBondContact O-N 2.66Å; M151-N153 VanDerWaalsContact C-N 3.35Å
152S30.9Very low31.7Very low73 Ų73103.8 Ų103.851%0.5162%0.617SS.*SBendtrans-80.3-16.3171.349.50000113.4C148 E149 A150C148-S152 VanDerWaalsContact O-CB 3.31Å; C148-S152 WeakPolarHBondContact O-CB 3.38Å; C148-S152 PolarHBondContact O-N 2.77Å; C148-S152 PolarHBondContact O-OG 2.84Å; E149-S152 WeakPolarHBondContact CA-OG 3.46Å; E149-S152 PolarHBondContact O-OG 3.32Å; E149-S152 VanDerWaalsContact O-OG 3.12Å; A150-S152 VanDerWaalsContact C-N 3.35Å
153N34Very low32.1Very low139 Ų139106.1 Ų106.174%0.74363%0.626SS**SBendtrans-103.44.1-177.3-76.5-35.4000114.4E149 A150 M151E149-N153 PolarHBondContact O-ND2 3.45Å; A150-N153 PolarHBondContact O-N 3.41Å; M151-N153 VanDerWaalsContact C-N 3.35Å
154S35.1Very low32.1Very low94 Ų94104.9 Ų104.966%0.65763%0.634SS**SBendtrans-104.711.4-177.162.80000115.4
155S31.9Very low32.1Very low86 Ų86110.1 Ų110.160%0.60166%0.656SS**SBendtrans-110.1125.7172.852.40000111.3
156S29.9Very low31.9Very low103 Ų103109.4 Ų109.472%0.7267%0.671SS**  trans6783.6160.149.60000117.2
157T35.8Very low31.7Very low134 Ų134113.1 Ų113.182%0.82269%0.692SS**  -42.8137.8128.238.30000111.3
158S40.3Very low31.4Very low115 Ų115115 Ų11580%0.80471%0.71SS**SBendtrans77.6130.516372.40000118.6
159G33.9Very low31.3Very low62 Ų62117.1 Ų117.164%0.63972%0.724SS**  trans84.492.7160.800000112.7
160E31.8Very low31Very low192 Ų192116.2 Ų116.290%0.89773%0.731SS**  68.3131.296.3-76.3-175.6131.400114.3
161S36.6Very low30.7Very low124 Ų124117.8 Ų117.887%0.86774%0.735SS**  trans94114.1161.477.10000118.2N163S161-N163 PolarHBondContact O-N 3.23Å
162N32.7Very low30.4Very low157 Ų157116.7 Ų116.784%0.8474%0.735SS**  trans-54.4119.3170.1-64.5-39.2000111.4
163N35.6Very low30.1Very low150 Ų150120.3 Ų120.380%0.80275%0.748SS**  trans166.7134.5131.9-92.2-23.9000111.3S161S161-N163 PolarHBondContact O-N 3.23Å
164S27.3Very low29.6Very low109 Ų109118.8 Ų118.876%0.76274%0.744SS**  trans55.1105.1151.860.50000119.3
165Q30.1Very low29.1Very low182 Ų182122.1 Ų122.185%0.8575%0.746SS**  -166.3122.5113.8-113.1171.2-8.500109.9T167Q165-T167 PolarHBondContact O-N 3.3Å; Q165-T167 PolarHBondContact O-OG1 3.15Å
166A25.6Very low28.8Very low105 Ų105123 Ų12387%0.86874%0.74SS**  trans-67.396.516900000108.3S168A166-S168 PolarHBondContact O-N 3.49Å
167T25.8Very low28.6Very low138 Ų138124.7 Ų124.785%0.84774%0.741SS**  trans-7397.2175.8-21.30000108.5Q165 C169Q165-T167 PolarHBondContact O-N 3.3Å; Q165-T167 PolarHBondContact O-OG1 3.15Å; T167-C169 PolarHBondContact O-N 2.72Å
168S24.6Very low28.1Very low106 Ų106127 Ų12774%0.74173%0.734SS**  trans-75.8108.9173.359.90000110A166 S170A166-S168 PolarHBondContact O-N 3.49Å; S168-S170 PolarHBondContact O-N 2.71Å
169C23.9Very low27.4Very low84 Ų84128.3 Ų128.357%0.56873%0.731SS**  trans-65.3101163.9-102.30000108.1C148 T167 V171C148-C169 WeakPolarHBondContact CB-SG 3.5Å; C148-C169 WeakPolarHBondContact SG-CB 3.46Å; C148-C169 CovalentContact SG-SG 2.09Å; C148-C169 PolarHBondContact SG-SG 2.94Å; T167-C169 PolarHBondContact O-N 2.72Å; C169-V171 PolarHBondContact O-N 3.29Å
170S23.5Very low27Very low101 Ų101130.4 Ų130.471%0.70673%0.734SS**  trans-81.8103170.1167.40000108.9S168 V172S168-S170 PolarHBondContact O-N 2.71Å; S170-V172 PolarHBondContact O-N 2.99Å
171V25.3Very low26.7Very low88 Ų88124.4 Ų124.453%0.53371%0.713SS.*  trans-87.5100.7175.1-179.20000109C169 L173C169-V171 PolarHBondContact O-N 3.29Å; V171-L173 PolarHBondContact O-N 3.32Å
172V24Very low26.3Very low109 Ų109130 Ų13066%0.66172%0.715SS**  trans-76.6104.9169179.90000108.2S170 T174S170-V172 PolarHBondContact O-N 2.99Å; V172-T174 PolarHBondContact O-N 3.44Å
173L24.1Very low26.3Very low148 Ų148128.4 Ų128.478%0.77571%0.707SS**  trans-73.689.9174.2-83.6155000110.2V171V171-L173 PolarHBondContact O-N 3.32Å
174T23.7Very low25.8Very low107 Ų107123.1 Ų123.166%0.65668%0.681SS**  trans-122106.9169.818.20000110.2V172V172-T174 PolarHBondContact O-N 3.44Å
175K24.7Very low25.9Very low164 Ų164125.8 Ų125.871%0.71368%0.682SS**  trans46.8110.4153-121-177.9-173.2175.80116.8F10F10-K175 HydrophobicContact CZ-CD 4.09Å
176F26.3Very low25.9Very low106 Ų106124.9 Ų124.947%0.46568%0.677SS.*  trans-120.4140.6169-72.3-101.1000115.3F140 L144F140-F176 HydrophobicContact CD1-CB 4.46Å; F140-F176 HydrophobicContact CD1-CD1 4.1Å; F140-F176 AromaticContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CE1 4.15Å; F140-F176 AromaticContact CD1-CE2 3.9Å; F140-F176 HydrophobicContact CD1-CE2 3.9Å; F140-F176 AromaticContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CZ 4.06Å; F140-F176 HydrophobicContact CD2-CD1 4.25Å; F140-F176 HydrophobicContact CD2-CE1 4.43Å; F140-F176 HydrophobicContact CE1-CB 3.15Å; F140-F176 AromaticContact CE1-CD1 3.36Å; F140-F176 HydrophobicContact CE1-CD1 3.36Å; F140-F176 AromaticContact CE1-CD2 3.05Å; F140-F176 HydrophobicContact CE1-CD2 3.05Å; F140-F176 AromaticContact CE1-CE1 3.85Å; F140-F176 HydrophobicContact CE1-CE1 3.85Å; F140-F176 AromaticContact CE1-CE2 3.59Å; F140-F176 HydrophobicContact CE1-CE2 3.59Å; F140-F176 AromaticContact CE1-CG 2.94Å; F140-F176 HydrophobicContact CE1-CG 2.94Å; F140-F176 AromaticContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE2-CB 3.82Å; F140-F176 AromaticContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CD1 3.44Å; F140-F176 VanDerWaalsContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CE1 4.02Å; F140-F176 AromaticContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CZ-CB 2.81Å; F140-F176 AromaticContact CZ-CD1 3.14Å; F140-F176 HydrophobicContact CZ-CD1 3.14Å; F140-F176 AromaticContact CZ-CD2 3.69Å; F140-F176 HydrophobicContact CZ-CD2 3.69Å; F140-F176 AromaticContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE2 4.39Å; F140-F176 AromaticContact CZ-CG 2.99Å; F140-F176 HydrophobicContact CZ-CG 2.99Å; L144-F176 HydrophobicContact CD1-CE2 4.01Å; L144-F176 HydrophobicContact CD1-CZ 3.79Å; L144-F176 HydrophobicContact CD2-CZ 4.12Å; L144-F176 HydrophobicContact CG-CZ 4.12Å
177N25.5Very low26.1Very low138 Ų138124.4 Ų124.474%0.73866%0.664SS**  trans-90.1114.8167.9-80.3-34.7000110.7
178R25.3Very low26.3Very low183 Ų183122.1 Ų122.169%0.69164%0.642SS**  trans41.6126.2130.9-83.7-173.7176.3176.72.2123.8
179L24.4Very low26.5Very low141 Ų141120.2 Ų120.274%0.73863%0.629SS**  trans85.5163.7132.6-63.1161.6000119.4
180P25.8Very low26.8Very low107 Ų107121.2 Ų121.270%0.69563%0.629SS**  -132.7148.1-58.437.2-20.4000112.7E139E139-P180 WeakPolarHBondContact OE2-CA 3.38Å
181S26.7Very low27.1Very low66 Ų66121.9 Ų121.946%0.46262%0.623SS.*  trans-156.9123.3-178.3-174.50000115.9E139 N183E139-S181 VanDerWaalsContact OE1-C 3.3Å; E139-S181 VanDerWaalsContact OE1-CA 3.28Å; E139-S181 WeakPolarHBondContact OE1-CA 3.36Å; E139-S181 PolarHBondContact OE1-N 3.38Å; E139-S181 PolarHBondContact OE2-N 3.38Å; S181-N183 PolarHBondContact O-N 3.44Å
182R27Very low27.3Very low241 Ų241122.3 Ų122.391%0.90962%0.622SS**THydrogen-bonded Turntrans-61.921.3-174.9-78.9179165.4178.4-6.1117.2
183N32.7Very low27.6Very low123 Ų123123 Ų12366%0.65862%0.618SS**THydrogen-bonded Turntrans-117.18.2179-73-1000114.2S181 E185S181-N183 PolarHBondContact O-N 3.44Å; N183-E185 PolarHBondContact O-N 3.19Å
184C26.3Very low27.9Very low40 Ų40124.4 Ų124.427%0.2762%0.618SS.*Hα-helixtrans-65.6-21.6172-90.60000114.2C138 Q186C138-C184 VanDerWaalsContact CB-SG 3.52Å; C184-Q186 PolarHBondContact O-N 3.48Å
185E28.8Very low28.3Very low165 Ų165126.6 Ų126.677%0.77162%0.619SS**Hα-helixtrans-75-22-171.3-72.8-177.8152.800114.4N183 S189N183-E185 PolarHBondContact O-N 3.19Å; E185-S189 PolarHBondContact O-OG 3.47Å
186Q29.9Very low28.7Very low163 Ų163124.8 Ų124.876%0.76262%0.617SS**Hα-helixtrans-85.2-31.2179.5-111.1174-8.600113.4C184C184-Q186 PolarHBondContact O-N 3.48Å
187T30.7Very low28.8Very low95 Ų95127.4 Ų127.458%0.58363%0.63SS**Hα-helixtrans-84.9-21.3-176.6-440000112.6S189T187-S189 VanDerWaalsContact C-N 3.34Å
188F29.1Very low29Very low89 Ų89126.5 Ų126.539%0.3963%0.63SS.*Hα-helixtrans-73.4-25.8171.1-117.7-101.3000113.2C138 N190 I191 L192C138-F188 HydrophobicContact CB-CE2 4.4Å; C138-F188 WeakPolarHBondContact SG-CE2 3.33Å; F188-N190 PolarHBondContact O-N 3.5Å; F188-I191 PolarHBondContact O-N 3.11Å; F188-L192 HydrophobicContact CD1-CD1 4.34Å; F188-L192 PolarHBondContact O-N 3.27Å
189S29Very low29.2Very low67 Ų67122.9 Ų122.947%0.46963%0.628SS.*Hα-helixtrans-71.9-26.8-176.1-65.50000113.6E185 T187 Q193E185-S189 PolarHBondContact O-OG 3.47Å; T187-S189 VanDerWaalsContact C-N 3.34Å; S189-Q193 PolarHBondContact O-N 3.25Å
190N30.1Very low29.3Very low104 Ų104123.4 Ų123.456%0.55663%0.631SS**Hα-helixtrans-87.5-18.3175.7-73.3-11.2000113.6F188F188-N190 PolarHBondContact O-N 3.5Å
191I29.6Very low29.5Very low115 Ų115126.5 Ų126.559%0.5964%0.637SS**Hα-helixtrans-82.7-25.1174.8-63.5173.4000110.6F188F188-I191 PolarHBondContact O-N 3.11Å
192L29.9Very low29.7Very low97 Ų97128 Ų12851%0.50865%0.647SS.*Hα-helixtrans-77.9-26.1170.2-85.3154.2000113.5F188 F194 K195 D196F188-L192 HydrophobicContact CD1-CD1 4.34Å; F188-L192 PolarHBondContact O-N 3.27Å; L192-F194 PolarHBondContact O-N 3.36Å; L192-K195 PolarHBondContact O-N 3.28Å; L192-D196 PolarHBondContact O-N 3.46Å
193Q29.6Very low29.7Very low124 Ų124128.4 Ų128.458%0.57965%0.649SS**THydrogen-bonded Turntrans-68.5-19.4174.8-79.1-176.4-2.800114.1S189 K195S189-Q193 PolarHBondContact O-N 3.25Å; Q193-K195 VanDerWaalsContact C-N 3.27Å
194F30.4Very low29.4Very low177 Ų177126.4 Ų126.478%0.77665%0.649SS**THydrogen-bonded Turntrans-81.7-3.2169.5-90.9-84.1000113.9L192L192-F194 PolarHBondContact O-N 3.36Å
195K32.7Very low29.5Very low154 Ų154134.7 Ų134.767%0.6768%0.676SS**THydrogen-bonded Turntrans-107-12.8177.6-149.5172.4-178.5-178.70113.9L192 Q193L192-K195 PolarHBondContact O-N 3.28Å; Q193-K195 VanDerWaalsContact C-N 3.27Å
196D32.2Very low29.5Very low126 Ų126131.5 Ų131.567%0.67467%0.672SS**SBendtrans-102.61.2175.8-87.4-27.5000114.5L192L192-D196 PolarHBondContact O-N 3.46Å
197Q28.3Very low29.4Very low161 Ų161128.8 Ų128.875%0.75267%0.671SS**SBendtrans-97.9-1.5174.3-82.6-172.3-1.400115.2
198T31Very low29.3Very low118 Ų118130.1 Ų130.172%0.72468%0.682SS**SBendtrans-103.46171.934.60000113.7D200T198-D200 VanDerWaalsContact C-N 3.33Å; T198-D200 PolarHBondContact O-N 3.49Å
199V28.7Very low29.3Very low108 Ų108131.5 Ų131.566%0.65570%0.7SS**SBendtrans-96.656.5169.1-168.50000109.6
200D26.4Very low29.1Very low151 Ų151134.8 Ų134.881%0.80772%0.717SS**SBendtrans175.866.1155.5-106.4-23.7000109T198T198-D200 VanDerWaalsContact C-N 3.33Å; T198-D200 PolarHBondContact O-N 3.49Å
201Q30.1Very low28.8Very low173 Ų173137.2 Ų137.281%0.80873%0.728SS**SBendtrans-155.8109.9160.7-113.3160.861.900109.5
202S32.4Very low28.4Very low98 Ų98142.1 Ų142.169%0.68574%0.74SS**  trans58.592.715138.50000115.1
203R25.7Very low28.2Very low249 Ų249143.8 Ų143.894%0.9475%0.748SS**  26.9114.788.7-89-176.2177172.10.4112.2
204A26.5Very low28Very low80 Ų80143.8 Ų143.866%0.66176%0.756SS**  trans92.9139.7174.300000115.4
205Y29.5Very low27.9Very low214 Ų214141.6 Ų141.684%0.83976%0.757SS**  trans93.977.9174.6-57.6-77.7000117.5
206S27.5Very low27.5Very low98 Ų98137 Ų13769%0.68576%0.755SS**  23.7116.6121.3530000118.4
207S27.9Very low27.2Very low107 Ų107138.6 Ų138.675%0.74876%0.761SS**  trans71110.2151.7-50.60000117.1
208P28.2Very low27.3Very low123 Ų123138.8 Ų138.880%0.79977%0.767SS**  trans-70.3136.916829.7-29.8000109.5V210P208-V210 PolarHBondContact O-N 3.04Å
209P29.2Very low27Very low118 Ų118136.7 Ų136.777%0.76677%0.768SS**  trans-68.4131.6179.427.2-31.7000110.3L211P209-L211 PolarHBondContact O-N 3.45Å
210V24.9Very low26.9Very low136 Ų136138.8 Ų138.882%0.82478%0.775SS**  trans-57.3108.9168.4176.10000108.4P208 R212P208-V210 PolarHBondContact O-N 3.04Å; V210-R212 VanDerWaalsContact C-N 3.33Å; V210-R212 PolarHBondContact O-N 3.45Å
211L23.8Very low27.2Very low154 Ų154137.5 Ų137.581%0.80678%0.775SS**  trans-71.690.8169.9-114.2139.4000108.3P209 I213P209-L211 PolarHBondContact O-N 3.45Å; L211-I213 HydrophobicContact CD2-CG1 4.37Å; L211-I213 PolarHBondContact O-N 3.27Å
212R22Very low27.1Very low219 Ų219137.9 Ų137.983%0.82677%0.774SS**  trans-79.291.9175.8-158.9179.8-163179.64.1108.5V210 T214V210-R212 VanDerWaalsContact C-N 3.33Å; V210-R212 PolarHBondContact O-N 3.45Å; R212-T214 PolarHBondContact O-N 3.28Å
213I25.7Very low27.2Very low132 Ų132139.2 Ų139.268%0.67778%0.78SS**  trans-83.395169.5-56.8176.9000107.3L211 T215L211-I213 HydrophobicContact CD2-CG1 4.37Å; L211-I213 PolarHBondContact O-N 3.27Å; I213-T215 HydrophobicContact CG2-CG2 4.22Å; I213-T215 PolarHBondContact O-N 3.47Å; I213-T215 VanDerWaalsContact O-N 3.16Å
214T24.9Very low27.5Very low123 Ų123132.7 Ų132.776%0.75577%0.773SS**  trans-69.896.7166.822.90000109.4R212 G216R212-T214 PolarHBondContact O-N 3.28Å; T214-G216 VanDerWaalsContact C-N 3.32Å; T214-G216 PolarHBondContact O-N 3.31Å
215T28.8Very low27.6Very low131 Ų131133.7 Ų133.780%0.80478%0.775SS**  trans-80.982.3162.549.60000108.9I213I213-T215 HydrophobicContact CG2-CG2 4.22Å; I213-T215 PolarHBondContact O-N 3.47Å; I213-T215 VanDerWaalsContact O-N 3.16Å
216G23Very low27.6Very low59 Ų59132.3 Ų132.361%0.60878%0.776SS**  trans-84126.3149.800000107.1T214T214-G216 VanDerWaalsContact C-N 3.32Å; T214-G216 PolarHBondContact O-N 3.31Å
217I27.4Very low27.9Very low158 Ų158132.1 Ų132.181%0.8178%0.78SS**  trans163.9115.2154.5-83.8153.8000107.2
218L28.8Very low27.9Very low166 Ų166135.2 Ų135.287%0.86979%0.788SS**  trans65.6105.2172.3-80.280.6000116
219G25.8Very low28.1Very low73 Ų73132.5 Ų132.575%0.75378%0.782SS**  cis94.948.335.600000112.1
220L27.3Very low28.3Very low152 Ų152131.9 Ų131.980%0.79678%0.781SS**  trans-145.5118.1166-76.4173.1000109.9F222L220-F222 PolarHBondContact O-N 2.98Å
221P31.1Very low28.6Very low124 Ų124132.4 Ų132.481%0.80578%0.779SS**PPolyproline II helixtrans-76121.8175.929.3-30.4000110.3
222F28.8Very low29.1Very low182 Ų182133.5 Ų133.580%0.79878%0.78SS**PPolyproline II helixtrans-81.7121.2161.8-74.8-85.2000108L220 S224L220-F222 PolarHBondContact O-N 2.98Å; F222-S224 PolarHBondContact O-N 3.34Å
223P34Very low29.5Very low126 Ų126131.4 Ų131.482%0.81878%0.78SS**PPolyproline II helixtrans-68.5123-177.325.7-31000110.4
224S31.4Very low29.7Very low112 Ų112131.6 Ų131.678%0.78378%0.782SS**PPolyproline II helixtrans-73.3129171.551.30000110.6F222F222-S224 PolarHBondContact O-N 3.34Å
225S29Very low29.8Very low100 Ų100130.8 Ų130.870%0.69978%0.781SS**  trans-24.9129.2160.7-38.30000115.3
226H30.9Very low29.8Very low186 Ų186130.5 Ų130.586%0.86178%0.779SS**  162.3151.7119-86.9-64.7000110.5
227A32.7Very low30Very low94 Ų94137.6 Ų137.678%0.77779%0.793SS**  trans89.9108.4163.900000117
228D29Very low30.1Very low171 Ų171137.8 Ų137.891%0.91480%0.795SS**  trans-8.9139.3140.7-77.2-51.9000116.5
229G31.4Very low30.1Very low66 Ų66139.2 Ų139.268%0.6880%0.797SS**  trans121.1109.8146.200000115.1
230S34.4Very low30.2Very low106 Ų106140.6 Ų140.674%0.74180%0.802SS**  trans56112.2137.763.30000119.7
231N29.9Very low30.3Very low147 Ų147137.1 Ų137.179%0.78680%0.802SS**  60.6136.3123.9-68.1-2000120.7
232E34.9Very low30.2Very low176 Ų176138.8 Ų138.882%0.82280%0.804SS**  trans88.8105.7152.2-69.7169.414600117.6
233H31.5Very low30.1Very low176 Ų176138 Ų13882%0.81581%0.808SS**  trans11115.5132.6-68.3-87.8000115.8
234D28Very low29.9Very low135 Ų135137.5 Ų137.572%0.72281%0.805SS**  172.7132.2101.3-111.8-43.9000113.4
235S28.8Very low30.2Very low106 Ų106143.4 Ų143.474%0.74183%0.825SS**  trans48.286.2136.8-57.10000120K237S235-K237 PolarHBondContact O-N 3.07Å
236V28.1Very low30.2Very low126 Ų126145.6 Ų145.676%0.76483%0.831SS**  trans-90103.8165-1800000111L238V236-L238 HydrophobicContact CG1-CD1 3.73Å; V236-L238 HydrophobicContact CG1-CG 3.67Å
237K27.1Very low30.2Very low207 Ų207143.4 Ų143.490%0.983%0.83SS**  trans-76120.1156.5-80.4176.3175.6174.60108.2S235S235-K237 PolarHBondContact O-N 3.07Å
238L29.9Very low30Very low163 Ų163146.2 Ų146.285%0.85383%0.832SS**  trans-113.2108.8167.9-84.8160.2000109.9V236V236-L238 HydrophobicContact CG1-CD1 3.73Å; V236-L238 HydrophobicContact CG1-CG 3.67Å
239Q27.3Very low30.1Very low195 Ų195144.7 Ų144.791%0.91183%0.828SS**  trans-82.5123.3179.8-155168.9-0.700108.2
240A29.3Very low30Very low103 Ų103149.6 Ų149.685%0.85184%0.837SS**  trans-75.1126.1175.400000110
241G29.4Very low29.7Very low78 Ų78152.5 Ų152.580%0.80484%0.843SS**  trans-131.4119.8175.700000110.7
242N27.7Very low29.7Very low159 Ų159152.9 Ų152.985%0.8585%0.847SS**  trans-65.7148.1-174.3-69.8-20000114.5
243L27.8Very low29.3Very low166 Ų166151.2 Ų151.287%0.86985%0.849SS**  trans-175.8144.7139-95.4137.4000106.7
244P30.4Very low29.1Very low116 Ų116149.1 Ų149.175%0.75385%0.852SS**  cis-147167.747.736.9-15.3000116.7
245I35.9Very low29.2Very low235 Ų235150.4 Ų150.4100%1.20586%0.864SS**  trans-100.40141-64174.3000105.8

Retrieved 245 of 245 residues in 47.6 ms (Link to these results)