A0A077YYP7_TRITR Loading...

Elongin A domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.4Very low47.1Very low245 Ų245160.8 Ų160.8100%1.20787%0.874SS**  0125.50-80.4177-173.400107.9
2F43.8Very low46.7Very low208 Ų208157.9 Ų157.991%0.91286%0.856SS**  trans-73.9136.2-160.3-82.6-101.9000114.3
3C39Very low45.9Very low118 Ų118162.6 Ų162.680%0.79786%0.856SS**  trans-68.2142.8150.6-85.70000109.5
4L52.6Low46Very low165 Ų165158.6 Ų158.686%0.86486%0.858SS**  trans-167.4126.2141.5-104.4155.8000111.1
5V47Very low45.8Very low141 Ų141161.1 Ų161.186%0.85586%0.861SS**PPolyproline II helixtrans-84126.3177.8-146.50000107.7
6G54.5Low45.3Very low82 Ų82161.5 Ų161.585%0.84586%0.864SS**PPolyproline II helixtrans-97.5116.3178.500000112.3
7L45.5Very low45.6Very low170 Ų170156.7 Ų156.789%0.8986%0.861SS**PPolyproline II helixtrans-96.4134.7167.2-105147.3000109.4
8S55.1Low45.3Very low111 Ų111157.3 Ų157.378%0.77686%0.863SS**  trans169.5171.4149.8-105.10000112.2
9P52.8Low45Very low106 Ų106161.2 Ų161.269%0.68886%0.864SS**  cis-142.9167.4-43.734.9-17.4000111.8
10R42Very low45.3Very low222 Ų222159.6 Ų159.684%0.83886%0.86SS**  trans163.7122.7139.7-99.6174.7168-175.9-2.7111.4
11Q40.5Very low44.9Very low201 Ų201162 Ų16294%0.93986%0.862SS**  trans-143.9129.4133.8-80.1-159.3-31.400109.9
12L42.3Very low44.7Very low126 Ų126153 Ų15366%0.6683%0.832SS**  trans-87.3142.8170.9-95.8104.7000110.1
13Y36.2Very low45Very low219 Ų219149.3 Ų149.386%0.85983%0.832SS**  trans33126.6137-66.5-99.5000120.7
14A47.8Very low45.7Very low106 Ų106146.5 Ų146.588%0.87682%0.823SS**  trans-160133.4134.100000111.6
15E42.5Very low45.8Very low196 Ų196144.2 Ų144.292%0.91681%0.808SS**  trans-89.2159.6-172.4-160.5-177.116200112.4
16N38.3Very low46.2Very low168 Ų168146.4 Ų146.490%0.89880%0.802SS**  trans-72.7143.6-173.7-72.6-56000114.5
17G49.4Very low46.4Very low80 Ų80148.4 Ų148.483%0.82579%0.793SS**  trans-158.7104.2166.300000111.9
18N40Very low47.2Very low167 Ų167145.9 Ų145.989%0.89378%0.777SS**  trans-91.8124.4-175.3-170.913.4000110.6
19R41.2Very low47.6Very low231 Ų231143.2 Ų143.287%0.87275%0.753SS**  trans-156.8112.7163.4-156.2167.3-113.3-151.7-0.4114.8
20V49.6Very low48.1Very low129 Ų129140.4 Ų140.478%0.78273%0.734SS**  trans72.1112145.3-175.90000118.9
21K37.4Very low49.1Very low211 Ų211134 Ų13492%0.91772%0.716SS**  trans-74114.9176.4-67.9173.8175.41750111.1
22G42.1Very low50.1Low55 Ų55132 Ų13257%0.56770%0.7SS**  trans-103.212416200000110.2G24 H25G22-G24 PolarHBondContact O-N 3.13Å; G22-H25 PolarHBondContact O-N 3.22Å
23S49.2Very low51Low132 Ų132133.9 Ų133.992%0.92370%0.703SS**THydrogen-bonded Turntrans-61.85.7-170.7-32.50000116.4
24G53.3Low51.9Low59 Ų59130.9 Ų130.961%0.60869%0.694SS**THydrogen-bonded Turntrans-89.2-11.4177.700000114.6G22 Y26G22-G24 PolarHBondContact O-N 3.13Å; G24-Y26 PolarHBondContact O-N 3.43Å
25H54.6Low52.2Low117 Ų117130.9 Ų130.954%0.54268%0.68SS.*Hα-helixtrans-80.3-15.6-173-119.4-88.1000114.7G22 D29G22-H25 PolarHBondContact O-N 3.22Å; H25-D29 IonicContact ND1-OD2 3.45Å; H25-D29 PolarHBondContact ND1-OD2 3.4Å; H25-D29 WeakPolarHBondContact O-CB 3.44Å; H25-D29 PolarHBondContact O-N 3.4Å
26Y56.9Low52.8Low186 Ų186130.5 Ų130.573%0.72968%0.675SS**Hα-helixtrans-70.9-38.1-176.7-167.3-102.5000112.1G24 V30G24-Y26 PolarHBondContact O-N 3.43Å; Y26-V30 HydrophobicContact CD1-CG2 4Å; Y26-V30 HydrophobicContact CE1-CG2 3.76Å; Y26-V30 HydrophobicContact CE2-CG2 4.44Å; Y26-V30 HydrophobicContact CG-CG2 4.46Å; Y26-V30 VanDerWaalsContact O-CB 3.26Å; Y26-V30 WeakPolarHBondContact O-CB 3.49Å; Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.2Å
27L58.5Low53.6Low124 Ų124127.6 Ų127.665%0.64967%0.668SS**Hα-helixtrans-70.6-41.7178.1-15377.4000111V30 L31L27-V30 PolarHBondContact O-N 3.32Å; L27-L31 HydrophobicContact CD2-CD1 4.42Å; L27-L31 HydrophobicContact CG-CD1 4.15Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 WeakPolarHBondContact O-CD1 3.35Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.3Å
28E60.9Low53.8Low118 Ų118133.6 Ų133.655%0.55167%0.666SS**Hα-helixtrans-59-46172.9-84.4-77.8151.800112.2L31 R32E28-L31 PolarHBondContact O-N 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 PolarHBondContact O-N 3.09Å
29D63.2Low54.7Low54 Ų54131 Ų13129%0.28966%0.656SS.*Hα-helixtrans-72.7-29.8178.7-74.1-37.4000112.8H25 R32 K33H25-D29 IonicContact ND1-OD2 3.45Å; H25-D29 PolarHBondContact ND1-OD2 3.4Å; H25-D29 WeakPolarHBondContact O-CB 3.44Å; H25-D29 PolarHBondContact O-N 3.4Å; D29-R32 IonicContact OD1-CZ 3.3Å; D29-R32 VanDerWaalsContact OD1-CZ 3.3Å; D29-R32 IonicContact OD1-NH1 2.7Å; D29-R32 PolarHBondContact OD1-NH1 3.1Å; D29-R32 IonicContact OD1-NH2 3.82Å; D29-R32 PolarHBondContact OD1-NH2 3.37Å; D29-K33 VanDerWaalsContact O-CB 3.24Å; D29-K33 WeakPolarHBondContact O-CB 3.35Å; D29-K33 VanDerWaalsContact O-CG 3.29Å; D29-K33 WeakPolarHBondContact O-CG 3.39Å; D29-K33 PolarHBondContact O-N 3.25Å
30V64.7Low55.7Low47 Ų47128.8 Ų128.829%0.28566%0.655SS.*Hα-helixtrans-74.2-38.9173.8169.90000111.3Y26 L27 K33 K34Y26-V30 HydrophobicContact CD1-CG2 4Å; Y26-V30 HydrophobicContact CE1-CG2 3.76Å; Y26-V30 HydrophobicContact CE2-CG2 4.44Å; Y26-V30 HydrophobicContact CG-CG2 4.46Å; Y26-V30 VanDerWaalsContact O-CB 3.26Å; Y26-V30 WeakPolarHBondContact O-CB 3.49Å; Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.2Å; L27-V30 PolarHBondContact O-N 3.32Å; V30-K33 PolarHBondContact O-N 3.2Å; V30-K34 WeakPolarHBondContact O-CB 3.4Å; V30-K34 PolarHBondContact O-N 3.43Å
31L63Low56.4Low88 Ų88129 Ų12946%0.46165%0.651SS.*Hα-helixtrans-67.7-41.3172.9-71.7164.1000110.9L27 E28 K33 K34 N35L27-L31 HydrophobicContact CD2-CD1 4.42Å; L27-L31 HydrophobicContact CG-CD1 4.15Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 WeakPolarHBondContact O-CD1 3.35Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.3Å; E28-L31 PolarHBondContact O-N 3.3Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-K34 PolarHBondContact O-N 3.25Å; L31-N35 PolarHBondContact O-N 3.28Å; L31-N35 PolarHBondContact O-ND2 3.06Å; L31-N35 PolarHBondContact O-OD1 3.43Å
32R61.1Low57.6Low160 Ų160125.8 Ų125.860%0.60463%0.634SS**Hα-helixtrans-68.6-29.4175.6-160.1163.588.3-107.3-2.6112.8E28 D29E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 PolarHBondContact O-N 3.09Å; D29-R32 IonicContact OD1-CZ 3.3Å; D29-R32 VanDerWaalsContact OD1-CZ 3.3Å; D29-R32 IonicContact OD1-NH1 2.7Å; D29-R32 PolarHBondContact OD1-NH1 3.1Å; D29-R32 IonicContact OD1-NH2 3.82Å; D29-R32 PolarHBondContact OD1-NH2 3.37Å
33K61.8Low58.7Low164 Ų164127.9 Ų127.971%0.71365%0.646SS**Hα-helixtrans-79.5-36.1172.8-82174.7175.6174.80113.4D29 V30 L31 N35 K36D29-K33 VanDerWaalsContact O-CB 3.24Å; D29-K33 WeakPolarHBondContact O-CB 3.35Å; D29-K33 VanDerWaalsContact O-CG 3.29Å; D29-K33 WeakPolarHBondContact O-CG 3.39Å; D29-K33 PolarHBondContact O-N 3.25Å; V30-K33 PolarHBondContact O-N 3.2Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.27Å; K33-N35 VanDerWaalsContact C-N 3.29Å; K33-N35 PolarHBondContact O-N 2.88Å; K33-K36 PolarHBondContact O-N 3.37Å
34K55.5Low59.6Low157 Ų157123.4 Ų123.468%0.68362%0.621SS**Hα-helixtrans-71-22.1177.1-90.7-179.2172.8174.90113.7V30 L31 K36 S37V30-K34 WeakPolarHBondContact O-CB 3.4Å; V30-K34 PolarHBondContact O-N 3.43Å; L31-K34 PolarHBondContact O-N 3.25Å; K34-K36 VanDerWaalsContact C-N 3.32Å; K34-S37 PolarHBondContact O-OG 2.98Å
35N53.7Low60.3Low106 Ų106130.1 Ų130.157%0.56763%0.633SS**G310 helixtrans-89.54.4-179.9-61.4-9000113.5L31 K33 S37L31-N35 PolarHBondContact O-N 3.28Å; L31-N35 PolarHBondContact O-ND2 3.06Å; L31-N35 PolarHBondContact O-OD1 3.43Å; K33-N35 VanDerWaalsContact C-N 3.29Å; K33-N35 PolarHBondContact O-N 2.88Å; N35-S37 VanDerWaalsContact C-N 3.33Å
36K55.1Low60.8Low187 Ų187132.5 Ų132.581%0.81364%0.642SS**G310 helixtrans-84.5-4.1-178.3-136.8154.4-173.6174.40114.1K33 K34K33-K36 PolarHBondContact O-N 3.37Å; K34-K36 VanDerWaalsContact C-N 3.32Å
37S55.4Low61Low107 Ų107132.5 Ų132.575%0.74865%0.648SS**G310 helixtrans-96.7-3.8171.657.90000113.7K34 N35 T39K34-S37 PolarHBondContact O-OG 2.98Å; N35-S37 VanDerWaalsContact C-N 3.33Å; S37-T39 PolarHBondContact O-N 3.04Å
38R52.3Low61.2Low207 Ų207130.5 Ų130.578%0.78165%0.65SS**SBendtrans-78.5103.4167.8-98.7175.788132-2.8108.4Q40R38-Q40 PolarHBondContact O-N 3.18Å
39T60Low61.2Low113 Ų113129 Ų12969%0.69366%0.657SS**  trans-26.3103.8168.9-29.10000111.2S37 I41S37-T39 PolarHBondContact O-N 3.04Å; T39-I41 HydrophobicContact CG2-CD1 3.9Å; T39-I41 HydrophobicContact CG2-CG1 3.34Å; T39-I41 PolarHBondContact O-N 3.24Å
40Q61.7Low61.4Low183 Ų183131.7 Ų131.786%0.85568%0.676SS**  trans-72.380.9165.1-74.6-69.2-38.900106.7R38 Y42R38-Q40 PolarHBondContact O-N 3.18Å; Q40-Y42 PolarHBondContact O-N 3.08Å
41I63.1Low61.7Low134 Ų134139 Ų13969%0.68771%0.707SS**  trans-79.682.3174.6-52.5172.9000106.4T39 A43T39-I41 HydrophobicContact CG2-CD1 3.9Å; T39-I41 HydrophobicContact CG2-CG1 3.34Å; T39-I41 PolarHBondContact O-N 3.24Å; I41-A43 HydrophobicContact CG2-CB 4.09Å; I41-A43 PolarHBondContact O-N 3.3Å
42Y63.1Low62.5Low144 Ų144145.2 Ų145.257%0.56572%0.724SS**  trans-87.794.2162.4-175.2-110.2000108Q40 G44 K46Q40-Y42 PolarHBondContact O-N 3.08Å; Y42-G44 WeakPolarHBondContact CD1-O 3.24Å; Y42-G44 WeakPolarHBondContact CE1-O 3.28Å; Y42-K46 HydrophobicContact CE1-CG 3.52Å; Y42-K46 WeakPolarHBondContact OH-CA 3.3Å; Y42-K46 WeakPolarHBondContact OH-CG 3.4Å; Y42-K46 PolarHBondContact OH-N 2.86Å; Y42-K46 VanDerWaalsContact OH-N 3.07Å
43A65.6Low63.6Low99 Ų99143.5 Ų143.582%0.81873%0.731SS**  trans-99.345.1-178.900000112I41I41-A43 HydrophobicContact CG2-CB 4.09Å; I41-A43 PolarHBondContact O-N 3.3Å
44G67.3Low64.8Low38 Ų38139.3 Ų139.339%0.39272%0.722SS.*SBendtrans-139.1147.2175.200000110.2Y42 K46Y42-G44 WeakPolarHBondContact CD1-O 3.24Å; Y42-G44 WeakPolarHBondContact CE1-O 3.28Å; G44-K46 PolarHBondContact O-N 3.12Å
45K69.4Low66.5Low200 Ų200135.3 Ų135.387%0.8771%0.714SS**  trans-65.3125156.3-74.5175.5178.1176.20105.1H47K45-H47 PolarHBondContact O-N 2.79Å
46K64.1Low68.5Low167 Ų167136.8 Ų136.873%0.72672%0.721SS**  trans-50117.6162.1-59.5-175.9-177.3-177.20103.8Y42 G44 A48Y42-K46 HydrophobicContact CE1-CG 3.52Å; Y42-K46 WeakPolarHBondContact OH-CA 3.3Å; Y42-K46 WeakPolarHBondContact OH-CG 3.4Å; Y42-K46 PolarHBondContact OH-N 2.86Å; Y42-K46 VanDerWaalsContact OH-N 3.07Å; G44-K46 PolarHBondContact O-N 3.12Å; K46-A48 PolarHBondContact O-N 2.97Å
47H62.5Low70.2Confident185 Ų185133 Ų13386%0.85671%0.705SS**  trans-50107.2168.4-73.5-81.3000103.3K45 A49K45-H47 PolarHBondContact O-N 2.79Å; H47-A49 PolarHBondContact O-N 2.65Å
48A62Low71.9Confident83 Ų83133 Ų13369%0.68669%0.693SS**  trans-50.3118.7174.100000102.9K46 V50K46-A48 PolarHBondContact O-N 2.97Å; A48-V50 PolarHBondContact O-N 3.49Å
49A61Low73.9Confident86 Ų86126 Ų12671%0.71168%0.675SS**  trans-45.7118.517900000105.1H47 E51H47-A49 PolarHBondContact O-N 2.65Å; A49-E51 PolarHBondContact O-N 3.21Å
50V66.8Low75.4Confident111 Ų111123.6 Ų123.667%0.67366%0.663SS**  trans-65.290.5-176.81750000104.9A48 R52 V53A48-V50 PolarHBondContact O-N 3.49Å; V50-R52 VanDerWaalsContact CG1-O 3.24Å; V50-R52 WeakPolarHBondContact CG1-O 3.36Å; V50-R52 PolarHBondContact O-N 2.74Å; V50-R52 VanDerWaalsContact O-N 3.12Å; V50-V53 HydrophobicContact CG1-CG2 4.2Å
51E71.4Confident76.9Confident201 Ų201115.7 Ų115.794%0.93963%0.626SS**SBendtrans-59.4-28-173.6-72.2-178170.600110.5A49A49-E51 PolarHBondContact O-N 3.21Å
52R79.4Confident78.2Confident217 Ų217117.5 Ų117.582%0.81962%0.624SS**SBendtrans-148128.9173.8-178.8177.8-82.4-169.1-6.9109.6V50V50-R52 VanDerWaalsContact CG1-O 3.24Å; V50-R52 WeakPolarHBondContact CG1-O 3.36Å; V50-R52 PolarHBondContact O-N 2.74Å; V50-R52 VanDerWaalsContact O-N 3.12Å
53V84.4Confident79.7Confident124 Ų124114.8 Ų114.875%0.75262%0.623SS**PPolyproline II helixtrans-70128.1168.8-1800000108V50V50-V53 HydrophobicContact CG1-CG2 4.2Å
54S86.8Confident80.9Confident76 Ų76113.3 Ų113.353%0.53160%0.601SS.*PPolyproline II helixtrans-61.9142.7175.3-62.60000110.7
55S92.3Very high82.1Confident74 Ų74112.2 Ų112.252%0.51759%0.587SS.*PPolyproline II helixtrans-58.3149.9171.7178.20000110.5F57 E58 C59S55-F57 PolarHBondContact O-N 3.36Å; S55-F57 PolarHBondContact OG-N 2.95Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 VanDerWaalsContact O-N 3.09Å; S55-C59 PolarHBondContact O-N 3.43Å; S55-C59 VanDerWaalsContact O-N 3.08Å
56L93.8Very high83.2Confident136 Ų136107.2 Ų107.271%0.71257%0.57SS**Hα-helixtrans-52-40.2172.3177.961.6000111.1E58 C59 C60L56-E58 PolarHBondContact O-N 2.97Å; L56-C59 PolarHBondContact O-N 3.24Å; L56-C60 WeakPolarHBondContact O-CB 3.4Å; L56-C60 PolarHBondContact O-N 2.92Å; L56-C60 PolarHBondContact O-SG 3.42Å
57F92.1Very high84.5Confident107 Ų107103.6 Ų103.647%0.46956%0.558SS.*Hα-helixtrans-56.8-48.1177.4-178.6-106000112.4S55 C59 C60 L61 I81S55-F57 PolarHBondContact O-N 3.36Å; S55-F57 PolarHBondContact OG-N 2.95Å; F57-C59 PolarHBondContact O-N 2.99Å; F57-C60 PolarHBondContact O-N 3.24Å; F57-L61 HydrophobicContact CD1-CD1 3.81Å; F57-L61 HydrophobicContact CD1-CG 4.37Å; F57-L61 HydrophobicContact CE1-CD1 3.28Å; F57-L61 HydrophobicContact CE1-CG 4.08Å; F57-L61 HydrophobicContact CE2-CD1 4.37Å; F57-L61 HydrophobicContact CE2-CG 4.37Å; F57-L61 HydrophobicContact CZ-CD1 3.61Å; F57-L61 HydrophobicContact CZ-CD2 4.36Å; F57-L61 HydrophobicContact CZ-CG 4.07Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 2.89Å; F57-I81 HydrophobicContact CE2-CG2 4.39Å
58E91.7Very high85.8Confident108 Ų10895.2 Ų95.251%0.50552%0.519SS..Hα-helixtrans-65.3-39.9178.4-67.1-62.5139.800112.2S55 L56 L61 R62S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 VanDerWaalsContact O-N 3.09Å; L56-E58 PolarHBondContact O-N 2.97Å; E58-L61 PolarHBondContact O-N 3.25Å; E58-R62 WeakPolarHBondContact O-CB 3.4Å; E58-R62 PolarHBondContact O-N 2.68Å
59C92.5Very high87.1Confident60 Ų6096.7 Ų96.741%0.40552%0.516SS..Hα-helixtrans-62.8-46176.1-69.10000111.1S55 L56 F57 R62 V63S55-C59 PolarHBondContact O-N 3.43Å; S55-C59 VanDerWaalsContact O-N 3.08Å; L56-C59 PolarHBondContact O-N 3.24Å; F57-C59 PolarHBondContact O-N 2.99Å; C59-R62 PolarHBondContact O-N 3.08Å; C59-V63 WeakPolarHBondContact O-CG2 3.4Å; C59-V63 PolarHBondContact O-N 3.32Å; C59-V63 VanDerWaalsContact O-N 3.09Å
60C92Very high88.4Confident63 Ų6396.6 Ų96.643%0.42652%0.515SS..Hα-helixtrans-63-48.9176.1-69.20000111.3L56 F57 R62 V63 L64L56-C60 WeakPolarHBondContact O-CB 3.4Å; L56-C60 PolarHBondContact O-N 2.92Å; L56-C60 PolarHBondContact O-SG 3.42Å; F57-C60 PolarHBondContact O-N 3.24Å; C60-R62 VanDerWaalsContact C-N 3.27Å; C60-R62 PolarHBondContact O-N 3.12Å; C60-V63 PolarHBondContact O-N 3.48Å; C60-V63 VanDerWaalsContact O-N 3.15Å; C60-L64 VanDerWaalsContact O-CG 3.29Å; C60-L64 WeakPolarHBondContact O-CG 3.26Å; C60-L64 PolarHBondContact O-N 2.84Å
61L92.9Very high89.4Confident17 Ų1792.5 Ų92.59%0.08949%0.489CS..Hα-helixtrans-55.2-43.1176.6-78.8-176.1000112F57 E58 L64 C65 P84 I85F57-L61 HydrophobicContact CD1-CD1 3.81Å; F57-L61 HydrophobicContact CD1-CG 4.37Å; F57-L61 HydrophobicContact CE1-CD1 3.28Å; F57-L61 HydrophobicContact CE1-CG 4.08Å; F57-L61 HydrophobicContact CE2-CD1 4.37Å; F57-L61 HydrophobicContact CE2-CG 4.37Å; F57-L61 HydrophobicContact CZ-CD1 3.61Å; F57-L61 HydrophobicContact CZ-CD2 4.36Å; F57-L61 HydrophobicContact CZ-CG 4.07Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 2.89Å; E58-L61 PolarHBondContact O-N 3.25Å; L61-L64 PolarHBondContact O-N 2.82Å; L61-C65 WeakPolarHBondContact O-CB 3.28Å; L61-C65 PolarHBondContact O-N 2.97Å; L61-C65 PolarHBondContact O-SG 3.47Å; L61-P84 HydrophobicContact CD1-CG 4.12Å; L61-P84 HydrophobicContact CD2-CG 4.02Å; L61-I85 HydrophobicContact CD2-CD1 3.81Å; L61-I85 HydrophobicContact CD2-CG1 3.77Å
62R92.1Very high89.9Confident171 Ų17184.4 Ų84.465%0.64546%0.459SS*.Hα-helixtrans-62.1-46.8177.6-175.6175-178.6163.82.3112.1E58 C59 C60 L64 C65 D66E58-R62 WeakPolarHBondContact O-CB 3.4Å; E58-R62 PolarHBondContact O-N 2.68Å; C59-R62 PolarHBondContact O-N 3.08Å; C60-R62 VanDerWaalsContact C-N 3.27Å; C60-R62 PolarHBondContact O-N 3.12Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.24Å; R62-C65 PolarHBondContact O-N 3.38Å; R62-D66 WeakPolarHBondContact O-CB 3.4Å; R62-D66 VanDerWaalsContact O-CG 3.26Å; R62-D66 PolarHBondContact O-N 2.89Å
63V93.2Very high90.3Very high88 Ų8882.4 Ų82.453%0.53345%0.453SS..Hα-helixtrans-61-40.6177.8172.50000111C59 C60 D66 N67C59-V63 WeakPolarHBondContact O-CG2 3.4Å; C59-V63 PolarHBondContact O-N 3.32Å; C59-V63 VanDerWaalsContact O-N 3.09Å; C60-V63 PolarHBondContact O-N 3.48Å; C60-V63 VanDerWaalsContact O-N 3.15Å; V63-D66 PolarHBondContact O-N 3.44Å; V63-N67 PolarHBondContact O-N 2.87Å; V63-N67 VanDerWaalsContact O-N 3.12Å; V63-N67 PolarHBondContact O-ND2 2.88Å
64L92.1Very high90.4Very high68 Ų6877.3 Ų77.336%0.35642%0.423SS..Hα-helixtrans-67.5-40.2176.7-62.1170.8000111.8C60 L61 R62 D66 N67 I68 L71 I85C60-L64 VanDerWaalsContact O-CG 3.29Å; C60-L64 WeakPolarHBondContact O-CG 3.26Å; C60-L64 PolarHBondContact O-N 2.84Å; L61-L64 PolarHBondContact O-N 2.82Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.24Å; L64-D66 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 2.93Å; L64-N67 CarbonylContact O-C 3.29Å; L64-N67 VanDerWaalsContact O-C 3.28Å; L64-N67 PolarHBondContact O-N 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3.48Å; L64-I68 VanDerWaalsContact O-N 3.14Å; L64-L71 HydrophobicContact CD2-CD2 3.86Å; L64-I85 HydrophobicContact CB-CD1 3.78Å; L64-I85 HydrophobicContact CB-CG1 4.32Å; L64-I85 HydrophobicContact CB-CG2 4.48Å; L64-I85 HydrophobicContact CD1-CD1 3.62Å; L64-I85 HydrophobicContact CG-CD1 4.35Å
65C91.6Very high90.1Very high15 Ų1576.2 Ų76.210%0.10142%0.423CS..Hα-helixtrans-66.4-30.7175.4-68.70000113.4L61 R62 N67 I68 R88L61-C65 WeakPolarHBondContact O-CB 3.28Å; L61-C65 PolarHBondContact O-N 2.97Å; L61-C65 PolarHBondContact O-SG 3.47Å; R62-C65 PolarHBondContact O-N 3.38Å; C65-N67 VanDerWaalsContact C-N 3.35Å; C65-I68 WeakPolarHBondContact O-CD1 3.47Å; C65-I68 VanDerWaalsContact O-CG1 3.3Å; C65-I68 WeakPolarHBondContact O-CG1 3.3Å; C65-R88 VanDerWaalsContact CB-NH1 3.29Å
66D91.7Very high89.8Confident95 Ų9574.8 Ų74.851%0.50842%0.42SS..Hα-helixtrans-80.9-21.6178.4-68.1-13.7000111.2R62 V63 L64R62-D66 WeakPolarHBondContact O-CB 3.4Å; R62-D66 VanDerWaalsContact O-CG 3.26Å; R62-D66 PolarHBondContact O-N 2.89Å; V63-D66 PolarHBondContact O-N 3.44Å; L64-D66 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 2.93Å
67N91.3Very high89.5Confident91 Ų9171.4 Ų71.449%0.48740%0.402SS..THydrogen-bonded Turntrans-124.646.6-178.5-59.6-88.1000111.7V63 L64 C65 D69 A70V63-N67 PolarHBondContact O-N 2.87Å; V63-N67 VanDerWaalsContact O-N 3.12Å; V63-N67 PolarHBondContact O-ND2 2.88Å; L64-N67 CarbonylContact O-C 3.29Å; L64-N67 VanDerWaalsContact O-C 3.28Å; L64-N67 PolarHBondContact O-N 3.31Å; C65-N67 VanDerWaalsContact C-N 3.35Å; N67-D69 PolarHBondContact O-N 2.96Å; N67-A70 HydrophobicContact CB-CB 4.43Å; N67-A70 PolarHBondContact O-N 3.08Å; N67-A70 VanDerWaalsContact O-N 3.11Å
68I91.2Very high89.4Confident8 Ų870.1 Ų70.14%0.04140%0.404CS..G310 helixtrans-59.8-34.7-178.7-65.5173.3000111.1L64 C65 A70 L71 I85 A89 Q93 I97L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3.48Å; L64-I68 VanDerWaalsContact O-N 3.14Å; C65-I68 WeakPolarHBondContact O-CD1 3.47Å; C65-I68 VanDerWaalsContact O-CG1 3.3Å; C65-I68 WeakPolarHBondContact O-CG1 3.3Å; I68-A70 PolarHBondContact O-N 3.22Å; I68-L71 HydrophobicContact CG2-CD1 4.37Å; I68-L71 VanDerWaalsContact O-CB 3.26Å; I68-L71 WeakPolarHBondContact O-CB 3.27Å; I68-L71 PolarHBondContact O-N 2.83Å; I68-I85 HydrophobicContact CD1-CG2 4.43Å; I68-I85 HydrophobicContact CG1-CG2 4.06Å; I68-A89 HydrophobicContact CD1-CB 4.23Å; I68-A89 HydrophobicContact CG2-CB 4.14Å; I68-Q93 HydrophobicContact CG2-CB 4.09Å; I68-Q93 HydrophobicContact CG2-CG 4.46Å; I68-I97 HydrophobicContact CG2-CD1 3.57Å
69D88.9Confident89.3Confident114 Ų11466 Ų6661%0.6139%0.385SS*.G310 helixtrans-63.6-22179.7-58.2-52.2000113.6N67 L71 Q93N67-D69 PolarHBondContact O-N 2.96Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-Q93 VanDerWaalsContact CG-NE2 3.34Å; D69-Q93 WeakPolarHBondContact OD1-CG 3.49Å; D69-Q93 PolarHBondContact OD1-NE2 3.26Å; D69-Q93 PolarHBondContact OD2-NE2 3.28Å
70A89.1Confident89.2Confident84 Ų8469.1 Ų69.169%0.69440%0.398SS*.G310 helixtrans-85.7-5.5177.500000113N67 I68 G72N67-A70 HydrophobicContact CB-CB 4.43Å; N67-A70 PolarHBondContact O-N 3.08Å; N67-A70 VanDerWaalsContact O-N 3.11Å; I68-A70 PolarHBondContact O-N 3.22Å; A70-G72 PolarHBondContact O-N 3.42Å; A70-G72 VanDerWaalsContact O-N 3.08Å
71L86.3Confident89.2Confident26 Ų2670 Ų7014%0.13640%0.397CS..  trans-76.893.3175.3-62.8173.4000109.4L64 I68 D69 I85 I97L64-L71 HydrophobicContact CD2-CD2 3.86Å; I68-L71 HydrophobicContact CG2-CD1 4.37Å; I68-L71 VanDerWaalsContact O-CB 3.26Å; I68-L71 WeakPolarHBondContact O-CB 3.27Å; I68-L71 PolarHBondContact O-N 2.83Å; D69-L71 VanDerWaalsContact C-N 3.32Å; L71-I85 HydrophobicContact CD1-CG2 3.74Å; L71-I97 HydrophobicContact CB-CD1 4.33Å; L71-I97 HydrophobicContact CB-CG1 4.46Å; L71-I97 HydrophobicContact CD1-CD1 4.43Å
72G83Confident89.1Confident30 Ų3069.7 Ų69.731%0.30940%0.395SS..  trans-82.8-125.9170.200000111.6A70 T74 N101A70-G72 PolarHBondContact O-N 3.42Å; A70-G72 VanDerWaalsContact O-N 3.08Å; G72-T74 PolarHBondContact O-N 3.03Å; G72-N101 PolarHBondContact O-ND2 3.48Å
73Y87.2Confident89.1Confident175 Ų17565.1 Ų65.169%0.68638%0.381SS*.  trans-67.8118.1173.7-175.6-112.3000110.7G75 Y100Y73-G75 VanDerWaalsContact C-N 3.34Å; Y73-G75 VanDerWaalsContact CE1-CA 3.46Å; Y73-Y100 WeakPolarHBondContact CD2-O 3.13Å
74T85.7Confident89.1Confident18 Ų1863.4 Ų63.411%0.1137%0.372CS..  trans-86.9-3-176.448.50000112.9G72 G76 I77 L82 N101 Y103G72-T74 PolarHBondContact O-N 3.03Å; T74-G76 PolarHBondContact O-N 2.91Å; T74-I77 WeakPolarHBondContact O-CD1 3.34Å; T74-I77 WeakPolarHBondContact O-CG1 3.42Å; T74-L82 HydrophobicContact CG2-CD1 4.12Å; T74-L82 HydrophobicContact CG2-CD2 4.47Å; T74-N101 PolarHBondContact N-OD1 2.88Å; T74-N101 VanDerWaalsContact OG1-CG 3.25Å; T74-N101 PolarHBondContact OG1-OD1 3.17Å; T74-Y103 PolarHBondContact OG1-OH 2.9Å
75G81.7Confident89.1Confident52 Ų5260.2 Ų60.254%0.53636%0.355SS..THydrogen-bonded Turntrans7320.3171.100000115.7Y73Y73-G75 VanDerWaalsContact C-N 3.34Å; Y73-G75 VanDerWaalsContact CE1-CA 3.46Å
76G84.7Confident89.2Confident45 Ų4559.6 Ų59.646%0.46435%0.351SS..THydrogen-bonded Turntrans80.126.9179.100000114.1T74 Y103T74-G76 PolarHBondContact O-N 2.91Å; G76-Y103 WeakPolarHBondContact CA-OH 3.49Å; G76-Y103 PolarHBondContact N-OH 3.29Å
77I87.7Confident89.2Confident64 Ų6458.3 Ų58.333%0.32834%0.344SS..  trans-61.9130.7173.8-67.2163000108.7T74 I81 L82 Y103T74-I77 WeakPolarHBondContact O-CD1 3.34Å; T74-I77 WeakPolarHBondContact O-CG1 3.42Å; I77-I81 HydrophobicContact CG2-CB 3.95Å; I77-I81 HydrophobicContact CG2-CD1 4.29Å; I77-I81 HydrophobicContact CG2-CG2 4.19Å; I77-L82 HydrophobicContact CB-CD1 4.09Å; I77-L82 HydrophobicContact CB-CG 4.25Å; I77-L82 HydrophobicContact CG2-CD1 4.22Å; I77-L82 HydrophobicContact CG2-CD2 4.22Å; I77-L82 HydrophobicContact CG2-CG 3.84Å; I77-Y103 PolarHBondContact N-OH 2.83Å; I77-Y103 WeakPolarHBondContact O-CE2 3.38Å; I77-Y103 PolarHBondContact O-OH 3.38Å
78P90Very high89.2Confident80 Ų8061.1 Ų61.152%0.51935%0.348SS..  trans-53.2142.6176.9-27.234.6000112.8D80 I81P78-D80 PolarHBondContact O-N 2.93Å; P78-D80 VanDerWaalsContact O-N 3.17Å; P78-I81 PolarHBondContact O-N 3.34Å
79F90.5Very high89.3Confident23 Ų2360.9 Ų60.910%0.10135%0.347CS..Hα-helixtrans-54.5-38.3-176.5179.7-100.3000112.9I81 L82 Q83 L86 L104 D107 T108 F110 I111F79-I81 PolarHBondContact O-N 3.39Å; F79-I81 VanDerWaalsContact O-N 3.09Å; F79-L82 CarbonylContact O-C 3.35Å; F79-L82 PolarHBondContact O-N 2.81Å; F79-Q83 HydrophobicContact CD1-CB 4.22Å; F79-Q83 HydrophobicContact CE1-CB 3.8Å; F79-Q83 HydrophobicContact CE1-CG 3.73Å; F79-Q83 HydrophobicContact CZ-CB 4.11Å; F79-Q83 HydrophobicContact CZ-CG 4.03Å; F79-Q83 WeakPolarHBondContact O-CB 3.33Å; F79-Q83 PolarHBondContact O-N 3.34Å; F79-L86 HydrophobicContact CD2-CD1 4.2Å; F79-L86 HydrophobicContact CE2-CD1 3.78Å; F79-L104 HydrophobicContact CD2-CD2 4.08Å; F79-D107 HydrophobicContact CB-CB 4.17Å; F79-D107 WeakPolarHBondContact CB-OD2 3.5Å; F79-D107 HydrophobicContact CD1-CB 3.95Å; F79-D107 HydrophobicContact CD2-CB 3.44Å; F79-D107 VanDerWaalsContact CD2-CB 3.44Å; F79-D107 HydrophobicContact CE1-CB 4.2Å; F79-D107 HydrophobicContact CE2-CB 3.72Å; F79-D107 HydrophobicContact CG-CB 3.57Å; F79-D107 HydrophobicContact CZ-CB 4.1Å; F79-T108 HydrophobicContact CE2-CG2 4.25Å; F79-F110 AromaticContact CE1-CE1 3.52Å; F79-F110 HydrophobicContact CE1-CE1 3.52Å; F79-F110 AromaticContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE2-CE1 4.49Å; F79-F110 AromaticContact CZ-CE1 3.34Å; F79-F110 HydrophobicContact CZ-CE1 3.34Å; F79-F110 AromaticContact CZ-CZ 3.47Å; F79-F110 HydrophobicContact CZ-CZ 3.47Å; F79-F110 VanDerWaalsContact CZ-CZ 3.47Å; F79-I111 HydrophobicContact CE2-CD1 4.47Å; F79-I111 HydrophobicContact CZ-CD1 4.27Å
80D91.3Very high89.5Confident125 Ų12558.8 Ų58.867%0.66834%0.338SS*.Hα-helixtrans-53.3-35.9-178.2-60.3-36.8000113.9P78P78-D80 PolarHBondContact O-N 2.93Å; P78-D80 VanDerWaalsContact O-N 3.17Å
81I91.2Very high89.7Confident82 Ų8255.4 Ų55.442%0.42131%0.309SS..Hα-helixtrans-78.6-35.8-179.5-60.1173.4000110.6F57 I77 P78 F79 P84F57-I81 HydrophobicContact CE2-CG2 4.39Å; I77-I81 HydrophobicContact CG2-CB 3.95Å; I77-I81 HydrophobicContact CG2-CD1 4.29Å; I77-I81 HydrophobicContact CG2-CG2 4.19Å; P78-I81 PolarHBondContact O-N 3.34Å; F79-I81 PolarHBondContact O-N 3.39Å; F79-I81 VanDerWaalsContact O-N 3.09Å; I81-P84 WeakPolarHBondContact O-CD 3.46Å
82L91.2Very high90Very high9 Ų957.8 Ų57.85%0.04733%0.333CS..Hα-helixtrans-83.3-24-179-66.1178.5000112.9T74 I77 F79 P84 I85 L86 L104T74-L82 HydrophobicContact CG2-CD1 4.12Å; T74-L82 HydrophobicContact CG2-CD2 4.47Å; I77-L82 HydrophobicContact CB-CD1 4.09Å; I77-L82 HydrophobicContact CB-CG 4.25Å; I77-L82 HydrophobicContact CG2-CD1 4.22Å; I77-L82 HydrophobicContact CG2-CD2 4.22Å; I77-L82 HydrophobicContact CG2-CG 3.84Å; F79-L82 CarbonylContact O-C 3.35Å; F79-L82 PolarHBondContact O-N 2.81Å; L82-P84 VanDerWaalsContact C-CD 3.5Å; L82-I85 HydrophobicContact CD2-CD1 4.09Å; L82-I85 WeakPolarHBondContact O-CA 3.41Å; L82-I85 VanDerWaalsContact O-CB 3.31Å; L82-I85 WeakPolarHBondContact O-CB 3.47Å; L82-I85 PolarHBondContact O-N 2.96Å; L82-L86 HydrophobicContact CB-CD1 4.13Å; L82-L86 HydrophobicContact CB-CG 4.32Å; L82-L86 PolarHBondContact O-N 2.85Å; L82-L104 HydrophobicContact CD1-CD1 4.19Å; L82-L104 HydrophobicContact CD1-CD2 4.15Å
83Q92.2Very high90.5Very high75 Ų7558.1 Ų58.135%0.3533%0.326SS..Hα-helixtrans-45-51.1-178.6-175.5-177.89.400113.9F79 I85 L86 L87 F110F79-Q83 HydrophobicContact CD1-CB 4.22Å; F79-Q83 HydrophobicContact CE1-CB 3.8Å; F79-Q83 HydrophobicContact CE1-CG 3.73Å; F79-Q83 HydrophobicContact CZ-CB 4.11Å; F79-Q83 HydrophobicContact CZ-CG 4.03Å; F79-Q83 WeakPolarHBondContact O-CB 3.33Å; F79-Q83 PolarHBondContact O-N 3.34Å; Q83-I85 PolarHBondContact O-N 3.28Å; Q83-L86 PolarHBondContact O-N 3.21Å; Q83-L87 VanDerWaalsContact O-CB 3.32Å; Q83-L87 WeakPolarHBondContact O-CB 3.46Å; Q83-L87 PolarHBondContact O-N 3.5Å; Q83-F110 HydrophobicContact CG-CZ 4.18Å
84P92.6Very high90.8Very high52 Ų5249.8 Ų49.834%0.33829%0.293SS..Hα-helixtrans-64-27.7179.424.5-35.3000113.5L61 I81 L82L61-P84 HydrophobicContact CD1-CG 4.12Å; L61-P84 HydrophobicContact CD2-CG 4.02Å; I81-P84 WeakPolarHBondContact O-CD 3.46Å; L82-P84 VanDerWaalsContact C-CD 3.5Å
85I92.5Very high91.1Very high1 Ų150.8 Ų50.81%0.00530%0.301CS..Hα-helixtrans-76.4-50.8178-53.7167000109.3L61 L64 I68 L71 L82 Q83 L87 R88 A89L61-I85 HydrophobicContact CD2-CD1 3.81Å; L61-I85 HydrophobicContact CD2-CG1 3.77Å; L64-I85 HydrophobicContact CB-CD1 3.78Å; L64-I85 HydrophobicContact CB-CG1 4.32Å; L64-I85 HydrophobicContact CB-CG2 4.48Å; L64-I85 HydrophobicContact CD1-CD1 3.62Å; L64-I85 HydrophobicContact CG-CD1 4.35Å; I68-I85 HydrophobicContact CD1-CG2 4.43Å; I68-I85 HydrophobicContact CG1-CG2 4.06Å; L71-I85 HydrophobicContact CD1-CG2 3.74Å; L82-I85 HydrophobicContact CD2-CD1 4.09Å; L82-I85 WeakPolarHBondContact O-CA 3.41Å; L82-I85 VanDerWaalsContact O-CB 3.31Å; L82-I85 WeakPolarHBondContact O-CB 3.47Å; L82-I85 PolarHBondContact O-N 2.96Å; Q83-I85 PolarHBondContact O-N 3.28Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 2.85Å; I85-R88 PolarHBondContact O-N 2.74Å; I85-R88 VanDerWaalsContact O-N 3.12Å; I85-A89 PolarHBondContact O-N 3.1Å
86L92.6Very high91.6Very high3 Ų351.4 Ų51.42%0.01629%0.292CS..Hα-helixtrans-64.5-34.2-178-62.2177.6000112.2F79 L82 Q83 R88 A89 L94 I97 L104 T108 I111F79-L86 HydrophobicContact CD2-CD1 4.2Å; F79-L86 HydrophobicContact CE2-CD1 3.78Å; L82-L86 HydrophobicContact CB-CD1 4.13Å; L82-L86 HydrophobicContact CB-CG 4.32Å; L82-L86 PolarHBondContact O-N 2.85Å; Q83-L86 PolarHBondContact O-N 3.21Å; L86-R88 PolarHBondContact O-N 3.25Å; L86-A89 VanDerWaalsContact O-CB 3.29Å; L86-A89 WeakPolarHBondContact O-CB 3.34Å; L86-A89 PolarHBondContact O-N 2.83Å; L86-L94 HydrophobicContact CB-CD1 4.38Å; L86-L94 HydrophobicContact CD2-CD1 4.04Å; L86-I97 HydrophobicContact CD2-CD1 4.09Å; L86-I97 HydrophobicContact CD2-CG2 4.14Å; L86-L104 HydrophobicContact CD1-CD1 4.3Å; L86-T108 HydrophobicContact CD1-CG2 4.13Å; L86-I111 HydrophobicContact CB-CD1 3.64Å
87L92.9Very high92Very high68 Ų6849.5 Ų49.536%0.35627%0.271SS..THydrogen-bonded Turntrans-63.7-22.4176.9-172.561.7000113.6Q83 I85 K114Q83-L87 VanDerWaalsContact O-CB 3.32Å; Q83-L87 WeakPolarHBondContact O-CB 3.46Å; Q83-L87 PolarHBondContact O-N 3.5Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 2.85Å; L87-K114 HydrophobicContact CD1-CD 3.83Å
88R91.9Very high92.2Very high150 Ų15046.6 Ų46.657%0.56626%0.256SS*.THydrogen-bonded Turntrans-93.5-13176.2-69.4-175.462.8-169.1-7.4113C65 I85 L86C65-R88 VanDerWaalsContact CB-NH1 3.29Å; I85-R88 PolarHBondContact O-N 2.74Å; I85-R88 VanDerWaalsContact O-N 3.12Å; L86-R88 PolarHBondContact O-N 3.25Å
89A92.4Very high92.2Very high3 Ų346.7 Ų46.73%0.02526%0.258CS..SBendtrans-64150.3-17900000111.4I68 I85 L86 Q93 H115I68-A89 HydrophobicContact CD1-CB 4.23Å; I68-A89 HydrophobicContact CG2-CB 4.14Å; I85-A89 PolarHBondContact O-N 3.1Å; L86-A89 VanDerWaalsContact O-CB 3.29Å; L86-A89 WeakPolarHBondContact O-CB 3.34Å; L86-A89 PolarHBondContact O-N 2.83Å; A89-Q93 HydrophobicContact CB-CB 4.27Å; A89-H115 PolarHBondContact O-CE1 3.08Å
90T93.5Very high92.2Very high69 Ų6951.5 Ų51.542%0.42328%0.277SS..  trans-77.7157166.663.40000110.1A92 Q93 L94T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 2.98Å; T90-Q93 WeakPolarHBondContact O-CB 3.28Å; T90-Q93 PolarHBondContact O-N 3.06Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.44Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.42Å; T90-Q93 PolarHBondContact OG1-N 3.46Å; T90-Q93 PolarHBondContact OG1-OE1 3.4Å; T90-L94 PolarHBondContact O-N 3.06Å
91P93.2Very high92.2Very high13 Ų1345.6 Ų45.68%0.08425%0.245CC..Hα-helixtrans-53-42.7177.9-30.637.8000113.8Q93 L94 C95 W112 H115 Y137P91-Q93 VanDerWaalsContact C-N 3.34Å; P91-Q93 PolarHBondContact O-N 3.43Å; P91-L94 PolarHBondContact O-N 3.46Å; P91-C95 PolarHBondContact O-N 3.13Å; P91-C95 PolarHBondContact O-SG 3.08Å; P91-W112 HydrophobicContact CB-CH2 4.16Å; P91-W112 HydrophobicContact CB-CZ3 3.89Å; P91-W112 WeakPolarHBondContact O-CH2 3.49Å; P91-H115 HydrophobicContact CG-CB 4.23Å; P91-Y137 HydrophobicContact CB-CD1 4.48Å; P91-Y137 HydrophobicContact CB-CE1 3.59Å; P91-Y137 HydrophobicContact CB-CE2 4.33Å; P91-Y137 WeakPolarHBondContact CB-OH 3.41Å; P91-Y137 HydrophobicContact CG-CE1 4.3Å; P91-Y137 HydrophobicContact CG-CE2 4.19Å; P91-Y137 WeakPolarHBondContact CG-OH 3.23Å
92A92.8Very high92.1Very high77 Ų7745.9 Ų45.964%0.63625%0.252SS*.Hα-helixtrans-63.9-38.7177.900000112.6T90 N96T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 2.98Å; A92-N96 PolarHBondContact O-N 2.98Å
93Q93.8Very high92.1Very high36 Ų3649.4 Ų49.417%0.16827%0.266CS..Hα-helixtrans-67.4-41.7175.3-73.5169.6-35.900111.7I68 D69 A89 T90 P91 N96 I97I68-Q93 HydrophobicContact CG2-CB 4.09Å; I68-Q93 HydrophobicContact CG2-CG 4.46Å; D69-Q93 VanDerWaalsContact CG-NE2 3.34Å; D69-Q93 WeakPolarHBondContact OD1-CG 3.49Å; D69-Q93 PolarHBondContact OD1-NE2 3.26Å; D69-Q93 PolarHBondContact OD2-NE2 3.28Å; A89-Q93 HydrophobicContact CB-CB 4.27Å; T90-Q93 WeakPolarHBondContact O-CB 3.28Å; T90-Q93 PolarHBondContact O-N 3.06Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.44Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.42Å; T90-Q93 PolarHBondContact OG1-N 3.46Å; T90-Q93 PolarHBondContact OG1-OE1 3.4Å; P91-Q93 VanDerWaalsContact C-N 3.34Å; P91-Q93 PolarHBondContact O-N 3.43Å; Q93-N96 PolarHBondContact O-N 3.29Å; Q93-I97 WeakPolarHBondContact O-CG1 3.35Å; Q93-I97 PolarHBondContact O-N 2.95Å
94L93.5Very high92Very high0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-62.4-46178.6-169.360000111.1L86 T90 P91 N96 I97 E98 T108 I111 W112L86-L94 HydrophobicContact CB-CD1 4.38Å; L86-L94 HydrophobicContact CD2-CD1 4.04Å; T90-L94 PolarHBondContact O-N 3.06Å; P91-L94 PolarHBondContact O-N 3.46Å; L94-N96 VanDerWaalsContact C-N 3.3Å; L94-N96 PolarHBondContact O-N 3.14Å; L94-I97 PolarHBondContact O-N 2.92Å; L94-E98 WeakPolarHBondContact O-CB 3.28Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.97Å; L94-T108 HydrophobicContact CD1-CG2 4.04Å; L94-I111 HydrophobicContact CD2-CB 4.17Å; L94-I111 HydrophobicContact CD2-CG2 3.8Å; L94-W112 HydrophobicContact CB-CH2 4.35Å; L94-W112 HydrophobicContact CB-CZ2 4.01Å; L94-W112 HydrophobicContact CD2-CD2 4.12Å; L94-W112 HydrophobicContact CD2-CH2 4.36Å; L94-W112 HydrophobicContact CD2-CZ2 3.73Å; L94-W112 HydrophobicContact CG-CZ2 3.82Å
95C91.9Very high91.9Very high39 Ų3947 Ų4726%0.26425%0.251SS..Hα-helixtrans-55.3-44.5172.8-72.20000112.4P91 S99 W112P91-C95 PolarHBondContact O-N 3.13Å; P91-C95 PolarHBondContact O-SG 3.08Å; C95-S99 PolarHBondContact O-N 3.37Å; C95-S99 VanDerWaalsContact O-N 3.1Å; C95-W112 WeakPolarHBondContact SG-CH2 3.46Å
96N92.3Very high91.7Very high66 Ų6655.4 Ų55.435%0.35329%0.291SS..Hα-helixtrans-64.4-44.6179.9-171.454000111.3A92 Q93 L94 S99 Y100A92-N96 PolarHBondContact O-N 2.98Å; Q93-N96 PolarHBondContact O-N 3.29Å; L94-N96 VanDerWaalsContact C-N 3.3Å; L94-N96 PolarHBondContact O-N 3.14Å; N96-S99 WeakPolarHBondContact O-CB 3.4Å; N96-S99 PolarHBondContact O-N 2.67Å; N96-S99 PolarHBondContact O-OG 3.36Å; N96-Y100 WeakPolarHBondContact O-CD2 3.47Å; N96-Y100 PolarHBondContact O-N 2.9Å
97I92Very high91.6Very high4 Ų459 Ų592%0.02131%0.31CS..Hα-helixtrans-64.3-42.6179-68.9167.6000111.3I68 L71 L86 Q93 L94 S99 Y100 N101 L104I68-I97 HydrophobicContact CG2-CD1 3.57Å; L71-I97 HydrophobicContact CB-CD1 4.33Å; L71-I97 HydrophobicContact CB-CG1 4.46Å; L71-I97 HydrophobicContact CD1-CD1 4.43Å; L86-I97 HydrophobicContact CD2-CD1 4.09Å; L86-I97 HydrophobicContact CD2-CG2 4.14Å; Q93-I97 WeakPolarHBondContact O-CG1 3.35Å; Q93-I97 PolarHBondContact O-N 2.95Å; L94-I97 PolarHBondContact O-N 2.92Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.25Å; I97-Y100 PolarHBondContact O-N 2.89Å; I97-N101 WeakPolarHBondContact O-CB 3.45Å; I97-N101 PolarHBondContact O-N 3.23Å; I97-N101 PolarHBondContact O-ND2 2.77Å; I97-L104 HydrophobicContact CG2-CD1 4.19Å
98E91.5Very high91.6Very high4 Ų455.8 Ų55.82%0.01929%0.293CS..Hα-helixtrans-60.4-37.4176.3-75.1174173.500111.8L94 Y100 N101 I105 T108 W112 R134L94-E98 WeakPolarHBondContact O-CB 3.28Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.97Å; E98-Y100 PolarHBondContact O-N 3.44Å; E98-N101 CarbonylContact O-C 3.28Å; E98-N101 VanDerWaalsContact O-C 3.29Å; E98-N101 PolarHBondContact O-N 3.36Å; E98-N101 VanDerWaalsContact O-N 3.08Å; E98-I105 HydrophobicContact CB-CG1 4.29Å; E98-I105 HydrophobicContact CG-CG1 4.31Å; E98-T108 WeakPolarHBondContact OE1-CB 3.31Å; E98-T108 PolarHBondContact OE1-OG1 3.02Å; E98-W112 PolarHBondContact OE1-NE1 3.27Å; E98-R134 WeakPolarHBondContact OE2-CD 3.43Å; E98-R134 IonicContact OE2-CZ 2.89Å; E98-R134 IonicContact OE2-NE 3.8Å; E98-R134 PolarHBondContact OE2-NE 3.01Å; E98-R134 IonicContact OE2-NH2 3.23Å
99S91.1Very high91.6Very high81 Ų8151 Ų5157%0.56628%0.279SS*.Hα-helixtrans-61.6-31.2177.780.40000113.4C95 N96 I97C95-S99 PolarHBondContact O-N 3.37Å; C95-S99 VanDerWaalsContact O-N 3.1Å; N96-S99 WeakPolarHBondContact O-CB 3.4Å; N96-S99 PolarHBondContact O-N 2.67Å; N96-S99 PolarHBondContact O-OG 3.36Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.25Å
100Y90.6Very high91.7Very high125 Ų12555 Ų5549%0.4930%0.296SS..Hα-helixtrans-87.4-22.2174.7-66.3-68.1000113.1Y73 N96 I97 E98Y73-Y100 WeakPolarHBondContact CD2-O 3.13Å; N96-Y100 WeakPolarHBondContact O-CD2 3.47Å; N96-Y100 PolarHBondContact O-N 2.9Å; I97-Y100 PolarHBondContact O-N 2.89Å; E98-Y100 PolarHBondContact O-N 3.44Å
101N90.6Very high91.7Very high0 Ų051.7 Ų51.70%028%0.275CS..  trans-133.477.5-169.6-56.8-77.7000111.3G72 T74 I97 E98 Y103 L104G72-N101 PolarHBondContact O-ND2 3.48Å; T74-N101 PolarHBondContact N-OD1 2.88Å; T74-N101 VanDerWaalsContact OG1-CG 3.25Å; T74-N101 PolarHBondContact OG1-OD1 3.17Å; I97-N101 WeakPolarHBondContact O-CB 3.45Å; I97-N101 PolarHBondContact O-N 3.23Å; I97-N101 PolarHBondContact O-ND2 2.77Å; E98-N101 CarbonylContact O-C 3.28Å; E98-N101 VanDerWaalsContact O-C 3.29Å; E98-N101 PolarHBondContact O-N 3.36Å; E98-N101 VanDerWaalsContact O-N 3.08Å; N101-Y103 HydrophobicContact CB-CD1 4.15Å; N101-Y103 HydrophobicContact CB-CE1 3.7Å; N101-Y103 PolarHBondContact O-N 3.05Å; N101-Y103 VanDerWaalsContact O-N 3.12Å; N101-L104 HydrophobicContact CB-CD1 3.75Å; N101-L104 HydrophobicContact CB-CG 4.16Å; N101-L104 PolarHBondContact O-N 3.36Å
102P89.6Confident91.8Very high88 Ų8851.1 Ų51.157%0.57127%0.272SS*.G310 helixtrans-60.6-26.3-175.2-25.835.2000114.6L104 I105P102-L104 PolarHBondContact O-N 3.24Å; P102-I105 HydrophobicContact CB-CD1 4.36Å; P102-I105 WeakPolarHBondContact O-CB 3.16Å; P102-I105 WeakPolarHBondContact O-CD1 3.04Å; P102-I105 WeakPolarHBondContact O-CG1 3.46Å; P102-I105 PolarHBondContact O-N 3.35Å
103Y90.8Very high91.8Very high84 Ų8451.8 Ų51.833%0.32926%0.26SS..G310 helixtrans-68.2-16.1-178.571.3-88.2000113.8T74 G76 I77 N101T74-Y103 PolarHBondContact OG1-OH 2.9Å; G76-Y103 WeakPolarHBondContact CA-OH 3.49Å; G76-Y103 PolarHBondContact N-OH 3.29Å; I77-Y103 PolarHBondContact N-OH 2.83Å; I77-Y103 WeakPolarHBondContact O-CE2 3.38Å; I77-Y103 PolarHBondContact O-OH 3.38Å; N101-Y103 HydrophobicContact CB-CD1 4.15Å; N101-Y103 HydrophobicContact CB-CE1 3.7Å; N101-Y103 PolarHBondContact O-N 3.05Å; N101-Y103 VanDerWaalsContact O-N 3.12Å
104L90.8Very high91.8Very high1 Ų155 Ų551%0.00527%0.274CS..G310 helixtrans-83.9-15.7179-64.2174.7000112.9F79 L82 L86 I97 N101 P102 E106 D107 T108F79-L104 HydrophobicContact CD2-CD2 4.08Å; L82-L104 HydrophobicContact CD1-CD1 4.19Å; L82-L104 HydrophobicContact CD1-CD2 4.15Å; L86-L104 HydrophobicContact CD1-CD1 4.3Å; I97-L104 HydrophobicContact CG2-CD1 4.19Å; N101-L104 HydrophobicContact CB-CD1 3.75Å; N101-L104 HydrophobicContact CB-CG 4.16Å; N101-L104 PolarHBondContact O-N 3.36Å; P102-L104 PolarHBondContact O-N 3.24Å; L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 2.86Å; L104-D107 PolarHBondContact O-N 3.12Å; L104-D107 VanDerWaalsContact O-N 3.11Å; L104-T108 HydrophobicContact CB-CG2 4.26Å; L104-T108 WeakPolarHBondContact O-CG2 3.42Å; L104-T108 PolarHBondContact O-N 3.2Å; L104-T108 PolarHBondContact O-OG1 3.41Å
105I89.3Confident91.9Very high74 Ų7455.1 Ų55.138%0.37927%0.274SS..Hα-helixtrans-60.1-37.5-169.7-65.8171000112.1E98 P102 T108E98-I105 HydrophobicContact CB-CG1 4.29Å; E98-I105 HydrophobicContact CG-CG1 4.31Å; P102-I105 HydrophobicContact CB-CD1 4.36Å; P102-I105 WeakPolarHBondContact O-CB 3.16Å; P102-I105 WeakPolarHBondContact O-CD1 3.04Å; P102-I105 WeakPolarHBondContact O-CG1 3.46Å; P102-I105 PolarHBondContact O-N 3.35Å; I105-T108 PolarHBondContact O-OG1 3.43Å
106E87.8Confident92Very high178 Ų17853.3 Ų53.383%0.83226%0.262SS*.Hα-helixtrans-69.3-36.2179.9-62-175174.100111.9L104L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 2.86Å
107D91.1Very high92Very high78 Ų7854.7 Ų54.742%0.41727%0.269SS..Hα-helixtrans-85.1-21.3-177.8-68.5-41.2000112.8F79 L104 D109 F110F79-D107 HydrophobicContact CB-CB 4.17Å; F79-D107 WeakPolarHBondContact CB-OD2 3.5Å; F79-D107 HydrophobicContact CD1-CB 3.95Å; F79-D107 HydrophobicContact CD2-CB 3.44Å; F79-D107 VanDerWaalsContact CD2-CB 3.44Å; F79-D107 HydrophobicContact CE1-CB 4.2Å; F79-D107 HydrophobicContact CE2-CB 3.72Å; F79-D107 HydrophobicContact CG-CB 3.57Å; F79-D107 HydrophobicContact CZ-CB 4.1Å; L104-D107 PolarHBondContact O-N 3.12Å; L104-D107 VanDerWaalsContact O-N 3.11Å; D107-D109 PolarHBondContact O-N 3.42Å; D107-F110 WeakPolarHBondContact O-CD1 3.28Å; D107-F110 WeakPolarHBondContact O-CE1 3.4Å
108T93.1Very high92Very high1 Ų161.3 Ų61.31%0.00629%0.294CS..Hα-helixtrans-81.4-9.3-177.353.50000114.6F79 L86 L94 E98 L104 I105 F110 I111 W112F79-T108 HydrophobicContact CE2-CG2 4.25Å; L86-T108 HydrophobicContact CD1-CG2 4.13Å; L94-T108 HydrophobicContact CD1-CG2 4.04Å; E98-T108 WeakPolarHBondContact OE1-CB 3.31Å; E98-T108 PolarHBondContact OE1-OG1 3.02Å; L104-T108 HydrophobicContact CB-CG2 4.26Å; L104-T108 WeakPolarHBondContact O-CG2 3.42Å; L104-T108 PolarHBondContact O-N 3.2Å; L104-T108 PolarHBondContact O-OG1 3.41Å; I105-T108 PolarHBondContact O-OG1 3.43Å; T108-F110 VanDerWaalsContact C-N 3.28Å; T108-F110 PolarHBondContact O-N 3.1Å; T108-I111 HydrophobicContact CG2-CD1 4.28Å; T108-I111 WeakPolarHBondContact O-CA 3.34Å; T108-I111 VanDerWaalsContact O-CB 3.26Å; T108-I111 WeakPolarHBondContact O-CB 3.39Å; T108-I111 PolarHBondContact O-N 2.95Å; T108-W112 PolarHBondContact O-N 2.81Å; T108-W112 VanDerWaalsContact O-N 3.16Å
109D92.6Very high92.1Very high49 Ų4965.4 Ų65.426%0.26231%0.313SS..Hα-helixtrans-56.6-37.1-174.5-173.963.5000113.3D107 I111 W112 K113 Y133D107-D109 PolarHBondContact O-N 3.42Å; D109-I111 VanDerWaalsContact C-N 3.28Å; D109-I111 PolarHBondContact O-N 3.02Å; D109-W112 WeakPolarHBondContact O-CB 3.36Å; D109-W112 PolarHBondContact O-N 2.87Å; D109-K113 PolarHBondContact O-N 3.04Å; D109-Y133 WeakPolarHBondContact OD1-CB 3.44Å; D109-Y133 PolarHBondContact OD1-N 3.48Å; D109-Y133 WeakPolarHBondContact OD2-CD2 3.5Å
110F92.9Very high92.1Very high87 Ų8763.2 Ų63.238%0.38229%0.294SS..Hα-helixtrans-67.9-26.3175.776.5-94.7000113.4F79 Q83 D107 T108 K114F79-F110 AromaticContact CE1-CE1 3.52Å; F79-F110 HydrophobicContact CE1-CE1 3.52Å; F79-F110 AromaticContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE2-CE1 4.49Å; F79-F110 AromaticContact CZ-CE1 3.34Å; F79-F110 HydrophobicContact CZ-CE1 3.34Å; F79-F110 AromaticContact CZ-CZ 3.47Å; F79-F110 HydrophobicContact CZ-CZ 3.47Å; F79-F110 VanDerWaalsContact CZ-CZ 3.47Å; Q83-F110 HydrophobicContact CG-CZ 4.18Å; D107-F110 WeakPolarHBondContact O-CD1 3.28Å; D107-F110 WeakPolarHBondContact O-CE1 3.4Å; T108-F110 VanDerWaalsContact C-N 3.28Å; T108-F110 PolarHBondContact O-N 3.1Å; F110-K114 PolarHBondContact O-N 3.11Å
111I94.3Very high92Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-72.1-42.6174.6-52.1177.8000108.6F79 L86 L94 T108 D109 K113 K114 H115F79-I111 HydrophobicContact CE2-CD1 4.47Å; F79-I111 HydrophobicContact CZ-CD1 4.27Å; L86-I111 HydrophobicContact CB-CD1 3.64Å; L94-I111 HydrophobicContact CD2-CB 4.17Å; L94-I111 HydrophobicContact CD2-CG2 3.8Å; T108-I111 HydrophobicContact CG2-CD1 4.28Å; T108-I111 WeakPolarHBondContact O-CA 3.34Å; T108-I111 VanDerWaalsContact O-CB 3.26Å; T108-I111 WeakPolarHBondContact O-CB 3.39Å; T108-I111 PolarHBondContact O-N 2.95Å; D109-I111 VanDerWaalsContact C-N 3.28Å; D109-I111 PolarHBondContact O-N 3.02Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.28Å; I111-K114 WeakPolarHBondContact O-CB 3.5Å; I111-K114 PolarHBondContact O-N 3.5Å; I111-K114 VanDerWaalsContact O-N 3.11Å; I111-H115 PolarHBondContact O-CD2 3.03Å; I111-H115 PolarHBondContact O-N 3.11Å
112W94.9Very high91.9Very high1 Ų165.8 Ų65.80%0.00435%0.348CS..Hα-helixtrans-59.2-42.2172.8-73.1112000112.4P91 L94 C95 E98 T108 D109 K114 H115 C116 R134 Y137P91-W112 HydrophobicContact CB-CH2 4.16Å; P91-W112 HydrophobicContact CB-CZ3 3.89Å; P91-W112 WeakPolarHBondContact O-CH2 3.49Å; L94-W112 HydrophobicContact CB-CH2 4.35Å; L94-W112 HydrophobicContact CB-CZ2 4.01Å; L94-W112 HydrophobicContact CD2-CD2 4.12Å; L94-W112 HydrophobicContact CD2-CH2 4.36Å; L94-W112 HydrophobicContact CD2-CZ2 3.73Å; L94-W112 HydrophobicContact CG-CZ2 3.82Å; C95-W112 WeakPolarHBondContact SG-CH2 3.46Å; E98-W112 PolarHBondContact OE1-NE1 3.27Å; T108-W112 PolarHBondContact O-N 2.81Å; T108-W112 VanDerWaalsContact O-N 3.16Å; D109-W112 WeakPolarHBondContact O-CB 3.36Å; D109-W112 PolarHBondContact O-N 2.87Å; W112-K114 VanDerWaalsContact C-N 3.3Å; W112-K114 PolarHBondContact O-N 2.79Å; W112-H115 PolarHBondContact O-N 3.1Å; W112-H115 VanDerWaalsContact O-N 3.09Å; W112-C116 PolarHBondContact O-N 3.14Å; W112-C116 PolarHBondContact O-SG 3.49Å; W112-R134 HydrophobicContact CD2-CB 4.21Å; W112-R134 HydrophobicContact CD2-CG 4.28Å; W112-R134 HydrophobicContact CG-CB 3.95Å; W112-R134 HydrophobicContact CG-CG 4.46Å; W112-R134 HydrophobicContact CZ2-CG 4.31Å; W112-Y137 HydrophobicContact CE3-CD1 4.06Å; W112-Y137 HydrophobicContact CE3-CD2 4.3Å; W112-Y137 AromaticContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CH2-CD1 4.33Å; W112-Y137 AromaticContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD1 3.41Å; W112-Y137 VanDerWaalsContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD2 4.28Å; W112-Y137 AromaticContact CZ3-CE1 3.92Å; W112-Y137 HydrophobicContact CZ3-CE1 3.92Å; W112-Y137 AromaticContact CZ3-CG 3.62Å; W112-Y137 HydrophobicContact CZ3-CG 3.62Å
113K93.5Very high91.9Very high91 Ų9162.3 Ų62.340%0.39633%0.327SS..Hα-helixtrans-54.8-43.7172.3-179.8171.7-170.71650112.7D109 I111 C116 N117 Y133D109-K113 PolarHBondContact O-N 3.04Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.28Å; K113-C116 PolarHBondContact O-N 3.24Å; K113-N117 WeakPolarHBondContact O-CB 3.39Å; K113-N117 VanDerWaalsContact O-CG 3.27Å; K113-N117 PolarHBondContact O-N 3.26Å; K113-N117 PolarHBondContact O-ND2 2.93Å; K113-Y133 HydrophobicContact CB-CD1 3.66Å; K113-Y133 HydrophobicContact CB-CD2 3.98Å; K113-Y133 HydrophobicContact CB-CE1 3.79Å; K113-Y133 HydrophobicContact CB-CE2 4.13Å; K113-Y133 HydrophobicContact CB-CG 3.74Å; K113-Y133 HydrophobicContact CD-CE1 3.93Å; K113-Y133 HydrophobicContact CD-CE2 3.9Å; K113-Y133 VanDerWaalsContact CE-OH 3.28Å; K113-Y133 WeakPolarHBondContact CE-OH 3.38Å; K113-Y133 HydrophobicContact CG-CD1 3.92Å; K113-Y133 HydrophobicContact CG-CE1 3.51Å; K113-Y133 HydrophobicContact CG-CE2 4.21Å; K113-Y133 HydrophobicContact CG-CG 4.4Å; K113-Y133 PolarHBondContact NZ-OH 2.87Å
114K93.6Very high91.8Very high103 Ų10365.9 Ų65.945%0.44835%0.347SS..Hα-helixtrans-64.3-39.3176.8-175.8-175.5176.4-171.60111.9L87 F110 I111 W112 R118L87-K114 HydrophobicContact CD1-CD 3.83Å; F110-K114 PolarHBondContact O-N 3.11Å; I111-K114 WeakPolarHBondContact O-CB 3.5Å; I111-K114 PolarHBondContact O-N 3.5Å; I111-K114 VanDerWaalsContact O-N 3.11Å; W112-K114 VanDerWaalsContact C-N 3.3Å; W112-K114 PolarHBondContact O-N 2.79Å; K114-R118 PolarHBondContact O-N 3.04Å
115H94.5Very high91.8Very high4 Ų466.7 Ų66.72%0.01935%0.352CS..Hα-helixtrans-68.3-42.6175.9-71.3-60.8000112.3A89 P91 I111 W112 R118 E119 Y137A89-H115 PolarHBondContact O-CE1 3.08Å; P91-H115 HydrophobicContact CG-CB 4.23Å; I111-H115 PolarHBondContact O-CD2 3.03Å; I111-H115 PolarHBondContact O-N 3.11Å; W112-H115 PolarHBondContact O-N 3.1Å; W112-H115 VanDerWaalsContact O-N 3.09Å; H115-R118 PolarHBondContact ND1-NH1 3.19Å; H115-R118 PolarHBondContact ND1-NH2 3.25Å; H115-R118 VanDerWaalsContact ND1-NH2 3.17Å; H115-R118 PolarHBondContact O-N 3.47Å; H115-E119 PolarHBondContact O-N 3.29Å; H115-Y137 HydrophobicContact CB-CD2 4.23Å; H115-Y137 HydrophobicContact CB-CE2 4.13Å
116C94.1Very high91.9Very high0 Ų066.9 Ų66.90%035%0.354CS..Hα-helixtrans-58.5-49.8174.8-68.50000111.2W112 K113 R118 E119 F120 Y133 L136W112-C116 PolarHBondContact O-N 3.14Å; W112-C116 PolarHBondContact O-SG 3.49Å; K113-C116 PolarHBondContact O-N 3.24Å; C116-R118 PolarHBondContact O-N 2.91Å; C116-R118 VanDerWaalsContact O-N 3.15Å; C116-E119 PolarHBondContact O-N 3.45Å; C116-F120 CarbonylContact O-C 3.53Å; C116-F120 WeakPolarHBondContact O-CA 3.48Å; C116-F120 PolarHBondContact O-N 2.78Å; C116-F120 VanDerWaalsContact O-O 3.1Å; C116-Y133 HydrophobicContact CB-CD1 4.46Å; C116-Y133 PolarHBondContact SG-O 3.25Å; C116-L136 HydrophobicContact CB-CD2 4.24Å
117N93.2Very high92Very high96 Ų9665.3 Ų65.351%0.51335%0.349SS..Hα-helixtrans-60.2-27.8178.4-72.9-25.1000113.6K113K113-N117 WeakPolarHBondContact O-CB 3.39Å; K113-N117 VanDerWaalsContact O-CG 3.27Å; K113-N117 PolarHBondContact O-N 3.26Å; K113-N117 PolarHBondContact O-ND2 2.93Å
118R93.1Very high91.8Very high143 Ų14369.4 Ų69.454%0.5437%0.372SS..Hα-helixtrans-81.6-43.9179.3-172.7-178.870-147.30.1112.8K114 H115 C116K114-R118 PolarHBondContact O-N 3.04Å; H115-R118 PolarHBondContact ND1-NH1 3.19Å; H115-R118 PolarHBondContact ND1-NH2 3.25Å; H115-R118 VanDerWaalsContact ND1-NH2 3.17Å; H115-R118 PolarHBondContact O-N 3.47Å; C116-R118 PolarHBondContact O-N 2.91Å; C116-R118 VanDerWaalsContact O-N 3.15Å
119E93Very high91.7Very high90 Ų9073 Ų7342%0.42140%0.401SS..Hα-helixtrans-91.6-33.1-174.1-58.1-66.7143.700112.6H115 C116 Y137H115-E119 PolarHBondContact O-N 3.29Å; C116-E119 PolarHBondContact O-N 3.45Å; E119-Y137 HydrophobicContact CB-CE2 4.49Å; E119-Y137 HydrophobicContact CG-CE2 4.13Å
120F91.6Very high91.6Very high35 Ų3573.4 Ų73.415%0.15442%0.417CS..SBendtrans-129.684.1-171.1-51-63.1000110.6C116 G122 A123 Y137 K140C116-F120 CarbonylContact O-C 3.53Å; C116-F120 WeakPolarHBondContact O-CA 3.48Å; C116-F120 PolarHBondContact O-N 2.78Å; C116-F120 VanDerWaalsContact O-O 3.1Å; F120-G122 PolarHBondContact O-N 3.35Å; F120-A123 HydrophobicContact CB-CB 3.74Å; F120-A123 PolarHBondContact O-N 3.01Å; F120-Y137 HydrophobicContact CD2-CD2 4.3Å; F120-Y137 AromaticContact CE2-CD2 3.79Å; F120-Y137 HydrophobicContact CE2-CD2 3.79Å; F120-Y137 AromaticContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CG 4.47Å; F120-K140 HydrophobicContact CD1-CB 3.96Å; F120-K140 HydrophobicContact CD1-CG 4.47Å; F120-K140 HydrophobicContact CD2-CB 3.67Å; F120-K140 HydrophobicContact CD2-CG 4.19Å; F120-K140 HydrophobicContact CE1-CB 3.76Å; F120-K140 HydrophobicContact CE2-CB 3.45Å; F120-K140 VanDerWaalsContact CE2-CB 3.45Å; F120-K140 HydrophobicContact CE2-CG 4.45Å; F120-K140 HydrophobicContact CG-CB 3.92Å; F120-K140 HydrophobicContact CG-CG 4.21Å; F120-K140 HydrophobicContact CZ-CB 3.5Å
121A88.4Confident91.5Very high101 Ų10170.9 Ų70.984%0.83541%0.407SS*.THydrogen-bonded Turntrans-60.4124.9179.400000111.7A123A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.15Å
122G87.4Confident91.4Very high78 Ų7873.8 Ų73.880%0.80442%0.424SS*.THydrogen-bonded Turntrans76.611.3177.800000115.2F120F120-G122 PolarHBondContact O-N 3.35Å
123A89.2Confident91.3Very high15 Ų1575.8 Ų75.812%0.12443%0.432CS..  trans-81.4125.1171.300000109.9F120 A121 L136F120-A123 HydrophobicContact CB-CB 3.74Å; F120-A123 PolarHBondContact O-N 3.01Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.15Å; A123-L136 HydrophobicContact CB-CD1 4.32Å; A123-L136 HydrophobicContact CB-CD2 4.25Å
124E89.5Confident91.3Very high159 Ų15974.1 Ų74.174%0.74342%0.423SS*.  trans-120.1148174.1-66.5-172.5163.600109.4L136E124-L136 WeakPolarHBondContact O-CD1 3.29Å
125P91Very high91.3Very high18 Ų1872 Ų7212%0.11742%0.417CS..  trans-70.6148.2177.229.1-33000110.3I127 E131 Y133 L136P125-I127 PolarHBondContact O-N 2.95Å; P125-I127 VanDerWaalsContact O-N 3.08Å; P125-E131 HydrophobicContact CB-CB 4.35Å; P125-E131 HydrophobicContact CB-CG 4.5Å; P125-E131 WeakPolarHBondContact CB-O 3.36Å; P125-Y133 HydrophobicContact CG-CD1 4.32Å; P125-Y133 HydrophobicContact CG-CD2 4.34Å; P125-Y133 HydrophobicContact CG-CE1 4.1Å; P125-Y133 HydrophobicContact CG-CE2 4.11Å; P125-Y133 HydrophobicContact CG-CG 4.45Å; P125-L136 HydrophobicContact CB-CB 4.33Å; P125-L136 HydrophobicContact CB-CD2 4.44Å
126D90.9Very high91.2Very high78 Ų7871.8 Ų71.842%0.41742%0.416SS..  trans-74.295.2171.2-170.7-11.7000110.4D128 A129 G130 E131D126-D128 PolarHBondContact O-N 3.1Å; D126-D128 PolarHBondContact OD1-N 2.65Å; D126-D128 VanDerWaalsContact OD1-N 3.14Å; D126-A129 HydrophobicContact CB-CB 4Å; D126-A129 PolarHBondContact O-N 3.28Å; D126-A129 PolarHBondContact OD1-N 2.97Å; D126-G130 PolarHBondContact O-N 2.73Å; D126-E131 HydrophobicContact CB-CB 4.2Å; D126-E131 PolarHBondContact N-OE2 3.09Å; D126-E131 WeakPolarHBondContact O-CB 3.18Å; D126-E131 PolarHBondContact O-N 2.88Å
127I89.6Confident91.3Very high144 Ų14473.4 Ų73.474%0.73842%0.422SS*.THydrogen-bonded Turntrans-63.2-33.9-179-55173.4000110.8P125 A129 G130P125-I127 PolarHBondContact O-N 2.95Å; P125-I127 VanDerWaalsContact O-N 3.08Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 2.75Å; I127-G130 PolarHBondContact O-N 3.43Å; I127-G130 VanDerWaalsContact O-N 3.13Å
128D88.5Confident91.3Very high165 Ų16571.9 Ų71.988%0.88241%0.412SS*.THydrogen-bonded Turntrans-70-30.9-178.5-65.2-50000111.6D126 G130D126-D128 PolarHBondContact O-N 3.1Å; D126-D128 PolarHBondContact OD1-N 2.65Å; D126-D128 VanDerWaalsContact OD1-N 3.14Å; D128-G130 VanDerWaalsContact C-N 3.33Å
129A90.7Very high91.3Very high76 Ų7669 Ų6963%0.62840%0.401SS*.THydrogen-bonded Turntrans-81.6-9173.200000113.8D126 I127 E131D126-A129 HydrophobicContact CB-CB 4Å; D126-A129 PolarHBondContact O-N 3.28Å; D126-A129 PolarHBondContact OD1-N 2.97Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 2.75Å; A129-E131 VanDerWaalsContact C-N 3.34Å
130G89.6Confident91.4Very high58 Ų5867.1 Ų67.160%0.59839%0.392SS*.THydrogen-bonded Turntrans72.425.9-171.800000113.6D126 I127 D128D126-G130 PolarHBondContact O-N 2.73Å; I127-G130 PolarHBondContact O-N 3.43Å; I127-G130 VanDerWaalsContact O-N 3.13Å; D128-G130 VanDerWaalsContact C-N 3.33Å
131E90.3Very high91.6Very high34 Ų3467 Ų6716%0.15939%0.394CS..  trans-70129.5177.9-165.8-179.8-149.400110P125 D126 A129 D135 R139P125-E131 HydrophobicContact CB-CB 4.35Å; P125-E131 HydrophobicContact CB-CG 4.5Å; P125-E131 WeakPolarHBondContact CB-O 3.36Å; D126-E131 HydrophobicContact CB-CB 4.2Å; D126-E131 PolarHBondContact N-OE2 3.09Å; D126-E131 WeakPolarHBondContact O-CB 3.18Å; D126-E131 PolarHBondContact O-N 2.88Å; A129-E131 VanDerWaalsContact C-N 3.34Å; E131-D135 HydrophobicContact CG-CB 3.51Å; E131-R139 IonicContact OE1-CZ 2.88Å; E131-R139 IonicContact OE1-NE 2.95Å; E131-R139 PolarHBondContact OE1-NE 3Å; E131-R139 IonicContact OE1-NH2 3.53Å; E131-R139 PolarHBondContact OE1-NH2 3.46Å; E131-R139 IonicContact OE2-CZ 3.63Å; E131-R139 IonicContact OE2-NE 3.14Å; E131-R139 IonicContact OE2-NH2 2.92Å; E131-R139 PolarHBondContact OE2-NH2 3.35Å
132T92.4Very high91.9Very high61 Ų6168.6 Ų68.637%0.37438%0.384SS..  trans-85.9168.3172.463.80000111.2R134 D135 L136T132-R134 PolarHBondContact O-N 3.45Å; T132-D135 WeakPolarHBondContact CB-OD2 3.14Å; T132-D135 PolarHBondContact N-OD2 3.39Å; T132-D135 PolarHBondContact O-N 3.1Å; T132-D135 PolarHBondContact OG1-N 2.82Å; T132-D135 PolarHBondContact OG1-OD2 2.95Å; T132-L136 PolarHBondContact O-N 3.43Å
133Y93.4Very high92.3Very high43 Ų4367.7 Ų67.717%0.16936%0.359CS..Hα-helixtrans-64.6-25.2174.3-76.5-87.9000112.1D109 K113 C116 P125 L136 Y137D109-Y133 WeakPolarHBondContact OD1-CB 3.44Å; D109-Y133 PolarHBondContact OD1-N 3.48Å; D109-Y133 WeakPolarHBondContact OD2-CD2 3.5Å; K113-Y133 HydrophobicContact CB-CD1 3.66Å; K113-Y133 HydrophobicContact CB-CD2 3.98Å; K113-Y133 HydrophobicContact CB-CE1 3.79Å; K113-Y133 HydrophobicContact CB-CE2 4.13Å; K113-Y133 HydrophobicContact CB-CG 3.74Å; K113-Y133 HydrophobicContact CD-CE1 3.93Å; K113-Y133 HydrophobicContact CD-CE2 3.9Å; K113-Y133 VanDerWaalsContact CE-OH 3.28Å; K113-Y133 WeakPolarHBondContact CE-OH 3.38Å; K113-Y133 HydrophobicContact CG-CD1 3.92Å; K113-Y133 HydrophobicContact CG-CE1 3.51Å; K113-Y133 HydrophobicContact CG-CE2 4.21Å; K113-Y133 HydrophobicContact CG-CG 4.4Å; K113-Y133 PolarHBondContact NZ-OH 2.87Å; C116-Y133 HydrophobicContact CB-CD1 4.46Å; C116-Y133 PolarHBondContact SG-O 3.25Å; P125-Y133 HydrophobicContact CG-CD1 4.32Å; P125-Y133 HydrophobicContact CG-CD2 4.34Å; P125-Y133 HydrophobicContact CG-CE1 4.1Å; P125-Y133 HydrophobicContact CG-CE2 4.11Å; P125-Y133 HydrophobicContact CG-CG 4.45Å; Y133-L136 HydrophobicContact CD1-CD2 4.22Å; Y133-Y137 WeakPolarHBondContact O-CB 3.49Å; Y133-Y137 PolarHBondContact O-N 3.38Å; Y133-Y137 VanDerWaalsContact O-N 3.09Å
134R93Very high92.6Very high56 Ų5672.9 Ų72.921%0.21138%0.375CS..Hα-helixtrans-62.4-50.9172.3-175.5-177.7-177.1-68.7-18.9110.8E98 W112 T132 L136 Y137 E138E98-R134 WeakPolarHBondContact OE2-CD 3.43Å; E98-R134 IonicContact OE2-CZ 2.89Å; E98-R134 IonicContact OE2-NE 3.8Å; E98-R134 PolarHBondContact OE2-NE 3.01Å; E98-R134 IonicContact OE2-NH2 3.23Å; W112-R134 HydrophobicContact CD2-CB 4.21Å; W112-R134 HydrophobicContact CD2-CG 4.28Å; W112-R134 HydrophobicContact CG-CB 3.95Å; W112-R134 HydrophobicContact CG-CG 4.46Å; W112-R134 HydrophobicContact CZ2-CG 4.31Å; T132-R134 PolarHBondContact O-N 3.45Å; R134-L136 PolarHBondContact O-N 3.3Å; R134-Y137 WeakPolarHBondContact O-CB 3.49Å; R134-Y137 PolarHBondContact O-N 3.46Å; R134-Y137 VanDerWaalsContact O-N 3.15Å; R134-E138 IonicContact CZ-OE1 3.72Å; R134-E138 IonicContact NH1-OE1 3.22Å; R134-E138 PolarHBondContact NH1-OE1 3.38Å; R134-E138 IonicContact NH1-OE2 3.67Å; R134-E138 IonicContact NH2-OE1 2.75Å; R134-E138 PolarHBondContact NH2-OE1 2.92Å; R134-E138 PolarHBondContact O-N 3.33Å
135D93.2Very high93Very high58 Ų5867.7 Ų67.731%0.3135%0.352SS..Hα-helixtrans-64-41.5-179.9-55.4-43000111.5E131 T132 Y137 E138 R139E131-D135 HydrophobicContact CG-CB 3.51Å; T132-D135 WeakPolarHBondContact CB-OD2 3.14Å; T132-D135 PolarHBondContact N-OD2 3.39Å; T132-D135 PolarHBondContact O-N 3.1Å; T132-D135 PolarHBondContact OG1-N 2.82Å; T132-D135 PolarHBondContact OG1-OD2 2.95Å; D135-Y137 VanDerWaalsContact C-N 3.3Å; D135-Y137 PolarHBondContact O-N 3.44Å; D135-E138 PolarHBondContact O-N 3.39Å; D135-R139 WeakPolarHBondContact O-CB 3.31Å; D135-R139 PolarHBondContact O-N 3.27Å
136L94.1Very high93.3Very high0 Ų073 Ų730%037%0.374CS..Hα-helixtrans-55.5-45.7173175.168000111.6C116 A123 E124 P125 T132 Y133 R134 K140C116-L136 HydrophobicContact CB-CD2 4.24Å; A123-L136 HydrophobicContact CB-CD1 4.32Å; A123-L136 HydrophobicContact CB-CD2 4.25Å; E124-L136 WeakPolarHBondContact O-CD1 3.29Å; P125-L136 HydrophobicContact CB-CB 4.33Å; P125-L136 HydrophobicContact CB-CD2 4.44Å; T132-L136 PolarHBondContact O-N 3.43Å; Y133-L136 HydrophobicContact CD1-CD2 4.22Å; R134-L136 PolarHBondContact O-N 3.3Å; L136-K140 HydrophobicContact CD1-CG 4.15Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.28Å; L136-K140 PolarHBondContact O-N 3.49Å
137Y94.6Very high93.6Very high33 Ų3376.9 Ų76.913%0.12938%0.382CS..Hα-helixtrans-64.5-45.3179.7-171.9-88.6000111.5P91 W112 H115 E119 F120 Y133 R134 D135 K140 T141P91-Y137 HydrophobicContact CB-CD1 4.48Å; P91-Y137 HydrophobicContact CB-CE1 3.59Å; P91-Y137 HydrophobicContact CB-CE2 4.33Å; P91-Y137 WeakPolarHBondContact CB-OH 3.41Å; P91-Y137 HydrophobicContact CG-CE1 4.3Å; P91-Y137 HydrophobicContact CG-CE2 4.19Å; P91-Y137 WeakPolarHBondContact CG-OH 3.23Å; W112-Y137 HydrophobicContact CE3-CD1 4.06Å; W112-Y137 HydrophobicContact CE3-CD2 4.3Å; W112-Y137 AromaticContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CH2-CD1 4.33Å; W112-Y137 AromaticContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD1 3.41Å; W112-Y137 VanDerWaalsContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD2 4.28Å; W112-Y137 AromaticContact CZ3-CE1 3.92Å; W112-Y137 HydrophobicContact CZ3-CE1 3.92Å; W112-Y137 AromaticContact CZ3-CG 3.62Å; W112-Y137 HydrophobicContact CZ3-CG 3.62Å; H115-Y137 HydrophobicContact CB-CD2 4.23Å; H115-Y137 HydrophobicContact CB-CE2 4.13Å; E119-Y137 HydrophobicContact CB-CE2 4.49Å; E119-Y137 HydrophobicContact CG-CE2 4.13Å; F120-Y137 HydrophobicContact CD2-CD2 4.3Å; F120-Y137 AromaticContact CE2-CD2 3.79Å; F120-Y137 HydrophobicContact CE2-CD2 3.79Å; F120-Y137 AromaticContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CG 4.47Å; Y133-Y137 WeakPolarHBondContact O-CB 3.49Å; Y133-Y137 PolarHBondContact O-N 3.38Å; Y133-Y137 VanDerWaalsContact O-N 3.09Å; R134-Y137 WeakPolarHBondContact O-CB 3.49Å; R134-Y137 PolarHBondContact O-N 3.46Å; R134-Y137 VanDerWaalsContact O-N 3.15Å; D135-Y137 VanDerWaalsContact C-N 3.3Å; D135-Y137 PolarHBondContact O-N 3.44Å; Y137-K140 PolarHBondContact O-N 3.05Å; Y137-T141 VanDerWaalsContact CE1-OG1 3.28Å; Y137-T141 WeakPolarHBondContact CE1-OG1 3.47Å; Y137-T141 VanDerWaalsContact O-CB 3.28Å; Y137-T141 WeakPolarHBondContact O-CB 3.46Å; Y137-T141 PolarHBondContact O-N 3.29Å; Y137-T141 PolarHBondContact O-OG1 2.93Å
138E93.5Very high93.9Very high65 Ų6574.5 Ų74.530%0.30437%0.371SS..Hα-helixtrans-59.2-52.5177.5-73.1-178.3173.800110.3R134 D135 K140 T141 E142R134-E138 IonicContact CZ-OE1 3.72Å; R134-E138 IonicContact NH1-OE1 3.22Å; R134-E138 PolarHBondContact NH1-OE1 3.38Å; R134-E138 IonicContact NH1-OE2 3.67Å; R134-E138 IonicContact NH2-OE1 2.75Å; R134-E138 PolarHBondContact NH2-OE1 2.92Å; R134-E138 PolarHBondContact O-N 3.33Å; D135-E138 PolarHBondContact O-N 3.39Å; E138-K140 PolarHBondContact O-N 3.31Å; E138-T141 PolarHBondContact O-N 3.06Å; E138-E142 WeakPolarHBondContact O-CG 3.41Å; E138-E142 PolarHBondContact O-N 3.35Å
139R94.4Very high94.3Very high83 Ų8374.8 Ų74.831%0.31336%0.359SS..Hα-helixtrans-56.8-46.8177.4178.8172.556.991.5-12.7112.8E131 D135 T141 E142 E143E131-R139 IonicContact OE1-CZ 2.88Å; E131-R139 IonicContact OE1-NE 2.95Å; E131-R139 PolarHBondContact OE1-NE 3Å; E131-R139 IonicContact OE1-NH2 3.53Å; E131-R139 PolarHBondContact OE1-NH2 3.46Å; E131-R139 IonicContact OE2-CZ 3.63Å; E131-R139 IonicContact OE2-NE 3.14Å; E131-R139 IonicContact OE2-NH2 2.92Å; E131-R139 PolarHBondContact OE2-NH2 3.35Å; D135-R139 WeakPolarHBondContact O-CB 3.31Å; D135-R139 PolarHBondContact O-N 3.27Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-T141 PolarHBondContact O-N 2.97Å; R139-E142 PolarHBondContact O-N 3.41Å; R139-E143 IonicContact NH1-OE1 3.46Å; R139-E143 PolarHBondContact NH1-OE1 3.44Å; R139-E143 WeakPolarHBondContact O-CG 3.33Å; R139-E143 PolarHBondContact O-N 3.26Å
140K94.9Very high94.7Very high50 Ų5075.7 Ų75.722%0.21735%0.354CS..Hα-helixtrans-67.3-35179.9-73.6-71.2167.3-154.10112.6F120 L136 Y137 E138 E143 R144F120-K140 HydrophobicContact CD1-CB 3.96Å; F120-K140 HydrophobicContact CD1-CG 4.47Å; F120-K140 HydrophobicContact CD2-CB 3.67Å; F120-K140 HydrophobicContact CD2-CG 4.19Å; F120-K140 HydrophobicContact CE1-CB 3.76Å; F120-K140 HydrophobicContact CE2-CB 3.45Å; F120-K140 VanDerWaalsContact CE2-CB 3.45Å; F120-K140 HydrophobicContact CE2-CG 4.45Å; F120-K140 HydrophobicContact CG-CB 3.92Å; F120-K140 HydrophobicContact CG-CG 4.21Å; F120-K140 HydrophobicContact CZ-CB 3.5Å; L136-K140 HydrophobicContact CD1-CG 4.15Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.28Å; L136-K140 PolarHBondContact O-N 3.49Å; Y137-K140 PolarHBondContact O-N 3.05Å; E138-K140 PolarHBondContact O-N 3.31Å; K140-E143 IonicContact NZ-OE1 3.06Å; K140-E143 IonicContact NZ-OE2 3.9Å; K140-E143 PolarHBondContact NZ-OE2 2.84Å; K140-R144 WeakPolarHBondContact O-CB 3.49Å; K140-R144 PolarHBondContact O-N 3.32Å
141T94.9Very high95Very high31 Ų3178 Ų7819%0.1935%0.352CS..Hα-helixtrans-67.8-43.2175-58.10000110.7Y137 E138 R139 R144 D145Y137-T141 VanDerWaalsContact CE1-OG1 3.28Å; Y137-T141 WeakPolarHBondContact CE1-OG1 3.47Å; Y137-T141 VanDerWaalsContact O-CB 3.28Å; Y137-T141 WeakPolarHBondContact O-CB 3.46Å; Y137-T141 PolarHBondContact O-N 3.29Å; Y137-T141 PolarHBondContact O-OG1 2.93Å; E138-T141 PolarHBondContact O-N 3.06Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-T141 PolarHBondContact O-N 2.97Å; T141-R144 WeakPolarHBondContact O-CB 3.33Å; T141-R144 PolarHBondContact O-N 3.19Å; T141-D145 WeakPolarHBondContact O-CB 3.41Å; T141-D145 PolarHBondContact O-N 2.98Å
142E95.7Very high95.4Very high136 Ų13679.2 Ų79.264%0.63637%0.368SS*.Hα-helixtrans-62.5-44.4174.7-72.4-176.6177.600112.6E138 R139 R144 D145 K146E138-E142 WeakPolarHBondContact O-CG 3.41Å; E138-E142 PolarHBondContact O-N 3.35Å; R139-E142 PolarHBondContact O-N 3.41Å; E142-R144 VanDerWaalsContact C-N 3.29Å; E142-R144 PolarHBondContact O-N 3.18Å; E142-D145 PolarHBondContact O-N 3.23Å; E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 PolarHBondContact O-N 3.14Å
143E95.7Very high95.6Very high58 Ų5878.7 Ų78.727%0.27137%0.37SS..Hα-helixtrans-56-44.9173.5-77.4175.1-160.100111R139 K140 R147R139-E143 IonicContact NH1-OE1 3.46Å; R139-E143 PolarHBondContact NH1-OE1 3.44Å; R139-E143 WeakPolarHBondContact O-CG 3.33Å; R139-E143 PolarHBondContact O-N 3.26Å; K140-E143 IonicContact NZ-OE1 3.06Å; K140-E143 IonicContact NZ-OE2 3.9Å; K140-E143 PolarHBondContact NZ-OE2 2.84Å; E143-R147 VanDerWaalsContact O-CG 3.26Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 2.93Å; E143-R147 IonicContact OE2-NH2 3.42Å
144R95.7Very high95.7Very high124 Ų12480 Ų8047%0.46839%0.385SS..Hα-helixtrans-65.5-47.6178.7-170.1-168.578.2146.93.3111.7K140 T141 E142 K146 R147 L148K140-R144 WeakPolarHBondContact O-CB 3.49Å; K140-R144 PolarHBondContact O-N 3.32Å; T141-R144 WeakPolarHBondContact O-CB 3.33Å; T141-R144 PolarHBondContact O-N 3.19Å; E142-R144 VanDerWaalsContact C-N 3.29Å; E142-R144 PolarHBondContact O-N 3.18Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 3.43Å; R144-R147 PolarHBondContact O-N 3.33Å; R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 3.33Å
145D96.4Very high95.7Very high50 Ų5082.6 Ų82.627%0.26740%0.402SS..Hα-helixtrans-67.8-35.9-178.4-75.93.1000111.4T141 E142 L148 R149T141-D145 WeakPolarHBondContact O-CB 3.41Å; T141-D145 PolarHBondContact O-N 2.98Å; E142-D145 PolarHBondContact O-N 3.23Å; D145-L148 PolarHBondContact O-N 3.01Å; D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 3.15Å
146K97.3Very high95.7Very high130 Ų13083.2 Ų83.257%0.56541%0.411SS*.Hα-helixtrans-61.2-49.2171-176.1178.5178.1-179.20111.3E142 R144 L148 R149 D150E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 PolarHBondContact O-N 3.14Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 3.43Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 2.84Å; K146-R149 PolarHBondContact O-N 3.09Å; K146-R149 VanDerWaalsContact O-N 3.12Å; K146-D150 VanDerWaalsContact O-CG 3.28Å; K146-D150 PolarHBondContact O-N 3.07Å
147R97.1Very high95.7Very high159 Ų15985.7 Ų85.760%0.643%0.432SS*.Hα-helixtrans-57.1-41.1175.1-72.3171.7-170.11688112E143 R144 D150 L151E143-R147 VanDerWaalsContact O-CG 3.26Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 2.93Å; E143-R147 IonicContact OE2-NH2 3.42Å; R144-R147 PolarHBondContact O-N 3.33Å; R147-D150 PolarHBondContact O-N 3.17Å; R147-L151 WeakPolarHBondContact O-CB 3.5Å; R147-L151 VanDerWaalsContact O-CG 3.27Å; R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 3.5Å
148L96.8Very high95.5Very high95 Ų9587 Ų8750%0.49745%0.445SS..Hα-helixtrans-63.7-43.6176-75.2171.4000112.1R144 D145 K146 L151 A152R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 3.33Å; D145-L148 PolarHBondContact O-N 3.01Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 2.84Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 3.17Å
149R97.5Very high95.2Very high170 Ų17087.1 Ų87.164%0.64245%0.454SS*.Hα-helixtrans-62.6-45175.8-70.5173.3-157150.97.3111.6D145 K146 A152 A153D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 3.15Å; K146-R149 PolarHBondContact O-N 3.09Å; K146-R149 VanDerWaalsContact O-N 3.12Å; R149-A152 PolarHBondContact O-N 3.28Å; R149-A153 WeakPolarHBondContact O-CB 3.5Å; R149-A153 PolarHBondContact O-N 3.25Å
150D97.5Very high94.9Very high95 Ų9587.2 Ų87.251%0.50847%0.472SS..Hα-helixtrans-63.6-42.5179.3-66.6-19.2000111.4K146 R147 A153 S154K146-D150 VanDerWaalsContact O-CG 3.28Å; K146-D150 PolarHBondContact O-N 3.07Å; R147-D150 PolarHBondContact O-N 3.17Å; D150-A153 PolarHBondContact O-N 3.26Å; D150-S154 WeakPolarHBondContact O-CB 3.46Å; D150-S154 PolarHBondContact O-N 3.26Å
151L97.4Very high94.4Very high107 Ų10792.8 Ų92.856%0.5650%0.501SS*.Hα-helixtrans-64.1-44.8174.3-73.9171.7000112R147 L148 A153 S154 I155R147-L151 WeakPolarHBondContact O-CB 3.5Å; R147-L151 VanDerWaalsContact O-CG 3.27Å; R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 3.5Å; L148-L151 PolarHBondContact O-N 3.16Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.19Å; L151-S154 PolarHBondContact O-N 3.3Å; L151-I155 VanDerWaalsContact O-CG1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.2Å; L151-I155 PolarHBondContact O-N 3.26Å
152A97.1Very high93.4Very high59 Ų5997.4 Ų97.449%0.48852%0.52SS..Hα-helixtrans-61.6-40176.700000111.7L148 R149 S156L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 3.17Å; R149-A152 PolarHBondContact O-N 3.28Å; A152-S156 WeakPolarHBondContact O-CB 3.48Å; A152-S156 PolarHBondContact O-N 3.44Å; A152-S156 PolarHBondContact O-OG 2.91Å
153A96.8Very high92.3Very high51 Ų5193.1 Ų93.142%0.42151%0.513SS..Hα-helixtrans-66.3-41.317400000112.2R149 D150 L151 S156 A157R149-A153 WeakPolarHBondContact O-CB 3.5Å; R149-A153 PolarHBondContact O-N 3.25Å; D150-A153 PolarHBondContact O-N 3.26Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.19Å; A153-S156 WeakPolarHBondContact CA-OG 3.15Å; A153-S156 PolarHBondContact O-N 2.64Å; A153-S156 PolarHBondContact O-OG 3.05Å; A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.25Å
154S95.8Very high91.1Very high69 Ų6997.1 Ų97.148%0.48354%0.543SS..Hα-helixtrans-64.1-40.8176-175.10000112D150 L151 S158D150-S154 WeakPolarHBondContact O-CB 3.46Å; D150-S154 PolarHBondContact O-N 3.26Å; L151-S154 PolarHBondContact O-N 3.3Å; S154-S158 VanDerWaalsContact O-CB 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.19Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-S158 PolarHBondContact O-OG 2.98Å
155I93.7Very high89.6Confident111 Ų11195.3 Ų95.357%0.56955%0.546SS*.Hα-helixtrans-66.3-47.6176.7-68.2165.4000109.9L151 A157 S158 S159L151-I155 VanDerWaalsContact O-CG1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.2Å; L151-I155 PolarHBondContact O-N 3.26Å; I155-A157 PolarHBondContact O-N 3.12Å; I155-S158 PolarHBondContact O-N 3.24Å; I155-S159 WeakPolarHBondContact O-CB 2.93Å; I155-S159 PolarHBondContact O-N 3.26Å; I155-S159 PolarHBondContact O-OG 2.93Å; I155-S159 VanDerWaalsContact O-OG 3.08Å
156S93.8Very high88.2Confident72 Ų72104.8 Ų104.850%0.50358%0.578SS.*Hα-helixtrans-63.9-40.7-179.968.80000112.2A152 A153 S159 A160A152-S156 WeakPolarHBondContact O-CB 3.48Å; A152-S156 PolarHBondContact O-N 3.44Å; A152-S156 PolarHBondContact O-OG 2.91Å; A153-S156 WeakPolarHBondContact CA-OG 3.15Å; A153-S156 PolarHBondContact O-N 2.64Å; A153-S156 PolarHBondContact O-OG 3.05Å; S156-S159 PolarHBondContact O-N 3.4Å; S156-A160 WeakPolarHBondContact O-CB 3.26Å; S156-A160 PolarHBondContact O-N 2.91Å
157A93.1Very high86.7Confident52 Ų52106.1 Ų106.143%0.4359%0.588SS.*Hα-helixtrans-62.1-45.917300000111.7A153 I155 S159 A160 M161A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.25Å; I155-A157 PolarHBondContact O-N 3.12Å; A157-S159 PolarHBondContact O-N 3.26Å; A157-A160 PolarHBondContact O-N 3.03Å; A157-M161 WeakPolarHBondContact O-CG 3.42Å; A157-M161 PolarHBondContact O-N 3.19Å
158S90.8Very high85.3Confident59 Ų59103.4 Ų103.441%0.41360%0.6SS.*Hα-helixtrans-63.2-41.8177.4-60.10000112S154 I155 A160 M161 Q162S154-S158 VanDerWaalsContact O-CB 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.19Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-S158 PolarHBondContact O-OG 2.98Å; I155-S158 PolarHBondContact O-N 3.24Å; S158-A160 VanDerWaalsContact C-N 3.34Å; S158-M161 PolarHBondContact O-N 3.19Å; S158-Q162 VanDerWaalsContact O-CG 3.3Å; S158-Q162 WeakPolarHBondContact O-CG 3Å; S158-Q162 PolarHBondContact O-N 3.08Å
159S87.8Confident84Confident69 Ų69108 Ų10848%0.48362%0.616SS.*Hα-helixtrans-66.8-32.5175.6-64.70000112.9I155 S156 A157I155-S159 WeakPolarHBondContact O-CB 2.93Å; I155-S159 PolarHBondContact O-N 3.26Å; I155-S159 PolarHBondContact O-OG 2.93Å; I155-S159 VanDerWaalsContact O-OG 3.08Å; S156-S159 PolarHBondContact O-N 3.4Å; A157-S159 PolarHBondContact O-N 3.26Å
160A87Confident82.6Confident85 Ų85108.2 Ų108.270%0.70263%0.629SS**Hα-helixtrans-73.2-34.9174.700000112.5S156 A157 S158S156-A160 WeakPolarHBondContact O-CB 3.26Å; S156-A160 PolarHBondContact O-N 2.91Å; A157-A160 PolarHBondContact O-N 3.03Å; S158-A160 VanDerWaalsContact C-N 3.34Å
161M84.2Confident81.2Confident167 Ų167107.7 Ų107.782%0.82364%0.638SS**Hα-helixtrans-74.7-26175.6-69.8-174.677.100113.1A157 S158 G163A157-M161 WeakPolarHBondContact O-CG 3.42Å; A157-M161 PolarHBondContact O-N 3.19Å; S158-M161 PolarHBondContact O-N 3.19Å; M161-G163 PolarHBondContact O-N 3.23Å
162Q74.3Confident79.6Confident128 Ų128110 Ų11060%0.59865%0.651SS**SBendtrans-66.783.9167.5-74.8178-4.200108.7S158 V165S158-Q162 VanDerWaalsContact O-CG 3.3Å; S158-Q162 WeakPolarHBondContact O-CG 3Å; S158-Q162 PolarHBondContact O-N 3.08Å; Q162-V165 HydrophobicContact CB-CG2 4.03Å
163G72Confident78.3Confident46 Ų46112.3 Ų112.347%0.47467%0.67SS.*  trans-49.6163.8165.600000110.4M161 V165M161-G163 PolarHBondContact O-N 3.23Å; G163-V165 VanDerWaalsContact C-N 3.33Å; G163-V165 WeakPolarHBondContact O-CG2 3.42Å; G163-V165 PolarHBondContact O-N 2.96Å
164P71.1Confident77.1Confident141 Ų141117.9 Ų117.992%0.91669%0.685SS**SBendtrans-48.392.1-160.921.4-34.3000112.5R166P164-R166 PolarHBondContact O-N 3.35Å
165V64.1Low76Confident87 Ų87116.2 Ų116.253%0.52768%0.675SS.*  trans-66.4138.4174.5-179.70000104.9Q162 G163 M167Q162-V165 HydrophobicContact CB-CG2 4.03Å; G163-V165 VanDerWaalsContact C-N 3.33Å; G163-V165 WeakPolarHBondContact O-CG2 3.42Å; G163-V165 PolarHBondContact O-N 2.96Å; V165-M167 PolarHBondContact O-N 3.23Å
166R66.5Low75.3Confident248 Ų248115.1 Ų115.194%0.93668%0.675SS**  trans-61.287.1172.8-76.3-178.8162.9-177.8-3.5108.7P164 A168P164-R166 PolarHBondContact O-N 3.35Å; R166-A168 PolarHBondContact O-N 3.48Å
167M66.8Low74.7Confident158 Ų158119.9 Ų119.978%0.77868%0.682SS**  trans-63.6119.9169.8-64.8-65.3-99.300106.4V165 K169V165-M167 PolarHBondContact O-N 3.23Å; M167-K169 PolarHBondContact O-N 3.19Å
168A67.1Low74.2Confident103 Ų103122.1 Ų122.185%0.85168%0.683SS**  trans-64.793167.400000107R166 L170R166-A168 PolarHBondContact O-N 3.48Å; A168-L170 PolarHBondContact O-N 2.84Å
169K69.5Low73.6Confident191 Ų191122.3 Ų122.383%0.8368%0.682SS**  trans-62.6122.1167.6-68.9-170.6177.7-176.30106.2M167 A171M167-K169 PolarHBondContact O-N 3.19Å; K169-A171 VanDerWaalsContact C-N 3.28Å; K169-A171 PolarHBondContact O-N 3.5Å
170L68.7Low73.1Confident174 Ų174121.1 Ų121.191%0.91167%0.67SS**  trans-59.999.8166.2-165.678.3000106.2A168A168-L170 PolarHBondContact O-N 2.84Å
171A67.4Low72.8Confident84 Ų84123.1 Ų123.169%0.69466%0.659SS**  trans-75.2133.4173.600000107.4K169 A173K169-A171 VanDerWaalsContact C-N 3.28Å; K169-A171 PolarHBondContact O-N 3.5Å; A171-A173 PolarHBondContact O-N 2.92Å
172D65Low72.8Confident157 Ų157120.8 Ų120.884%0.8464%0.644SS**  trans-51.9130.3168.5-72.9-36.5000109K174D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.13Å
173A69.2Low73.1Confident107 Ų107117.4 Ų117.488%0.88463%0.629SS**  trans-6588.3-176.300000110.1A171 A175A171-A173 PolarHBondContact O-N 2.92Å; A173-A175 PolarHBondContact O-N 3.39Å
174K70.7Confident73.3Confident168 Ų168120.2 Ų120.273%0.7364%0.637SS**PPolyproline II helixtrans-71119.8176-164.776.5179179.50108.4D172D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.13Å
175A72.3Confident73.8Confident34 Ų34121.3 Ų121.328%0.28163%0.627SS.*PPolyproline II helixtrans-53.5135.8175.400000110.5A173 V179 L180A173-A175 PolarHBondContact O-N 3.39Å; A175-V179 HydrophobicContact CB-CB 4.22Å; A175-V179 HydrophobicContact CB-CG1 4.07Å; A175-L180 HydrophobicContact CB-CD2 4.31Å; A175-L180 HydrophobicContact CB-CG 4.32Å; A175-L180 WeakPolarHBondContact O-CD1 3.26Å
176P80.2Confident74.6Confident87 Ų87124.7 Ų124.757%0.56563%0.631SS**PPolyproline II helixtrans-51.7146.6178.8-27.934.2000112E178 V179 L180P176-E178 PolarHBondContact O-N 3Å; P176-V179 HydrophobicContact CB-CG2 4.24Å; P176-V179 HydrophobicContact CG-CG2 4.36Å; P176-V179 WeakPolarHBondContact O-CA 3.33Å; P176-V179 WeakPolarHBondContact O-CB 3.29Å; P176-V179 PolarHBondContact O-N 3.27Å; P176-L180 PolarHBondContact O-N 3.27Å; P176-L180 VanDerWaalsContact O-N 3.1Å
177R80.2Confident75Confident172 Ų172116.1 Ų116.165%0.64962%0.62SS**Hα-helixtrans-51.9-33-173.5-174.6169.6179.7-95.91.7114R181R177-R181 WeakPolarHBondContact O-CG 3.42Å; R177-R181 PolarHBondContact O-N 2.99Å
178E82.4Confident75Confident100 Ų100113 Ų11347%0.46761%0.61SS.*Hα-helixtrans-73.2-34178-15858.4-155.700112.8P176 R181 K182P176-E178 PolarHBondContact O-N 3Å; E178-R181 PolarHBondContact O-N 3.11Å; E178-R181 WeakPolarHBondContact OE2-CD 3.49Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 3.11Å; E178-K182 WeakPolarHBondContact O-CG 3.4Å; E178-K182 PolarHBondContact O-N 3.5Å
179V80.1Confident75Confident63 Ų63112.8 Ų112.838%0.38259%0.59SS.*Hα-helixtrans-66.2-44.5172.1-179.50000109.9A175 P176 R181 K182 Q183A175-V179 HydrophobicContact CB-CB 4.22Å; A175-V179 HydrophobicContact CB-CG1 4.07Å; P176-V179 HydrophobicContact CB-CG2 4.24Å; P176-V179 HydrophobicContact CG-CG2 4.36Å; P176-V179 WeakPolarHBondContact O-CA 3.33Å; P176-V179 WeakPolarHBondContact O-CB 3.29Å; P176-V179 PolarHBondContact O-N 3.27Å; V179-R181 VanDerWaalsContact C-N 3.34Å; V179-R181 PolarHBondContact O-N 2.86Å; V179-K182 PolarHBondContact O-N 3.42Å; V179-Q183 HydrophobicContact CG1-CG 4.29Å; V179-Q183 WeakPolarHBondContact O-CB 3.46Å; V179-Q183 VanDerWaalsContact O-CG 3.31Å; V179-Q183 WeakPolarHBondContact O-CG 3.35Å; V179-Q183 PolarHBondContact O-N 2.6Å
180L77.4Confident74.6Confident44 Ų44107.7 Ų107.723%0.2358%0.578CS.*Hα-helixtrans-58.8-43.4175.1-69.5171.1000112A175 P176 Q183 V184 F189A175-L180 HydrophobicContact CB-CD2 4.31Å; A175-L180 HydrophobicContact CB-CG 4.32Å; A175-L180 WeakPolarHBondContact O-CD1 3.26Å; P176-L180 PolarHBondContact O-N 3.27Å; P176-L180 VanDerWaalsContact O-N 3.1Å; L180-Q183 PolarHBondContact O-N 3.37Å; L180-V184 WeakPolarHBondContact O-CG2 3.3Å; L180-V184 PolarHBondContact O-N 2.83Å; L180-F189 HydrophobicContact CD2-CD2 4.24Å; L180-F189 HydrophobicContact CD2-CE2 3.75Å
181R80Confident74.3Confident126 Ų126105.3 Ų105.348%0.47557%0.566SS.*Hα-helixtrans-61.2-44175.4-80.6171.6165.5-179.7-13.6112.6R177 E178 V179 V184 K185R177-R181 WeakPolarHBondContact O-CG 3.42Å; R177-R181 PolarHBondContact O-N 2.99Å; E178-R181 PolarHBondContact O-N 3.11Å; E178-R181 WeakPolarHBondContact OE2-CD 3.49Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 3.11Å; V179-R181 VanDerWaalsContact C-N 3.34Å; V179-R181 PolarHBondContact O-N 2.86Å; R181-V184 PolarHBondContact O-N 3.4Å; R181-K185 WeakPolarHBondContact O-CB 3.32Å; R181-K185 PolarHBondContact O-N 3.18Å
182K83.5Confident74.1Confident118 Ų118106.5 Ų106.551%0.51357%0.565SS.*Hα-helixtrans-65.3-43.6176.5-73.3-179.5-179.2-177.90111.3E178 V179 V184 K185 Y186E178-K182 WeakPolarHBondContact O-CG 3.4Å; E178-K182 PolarHBondContact O-N 3.5Å; V179-K182 PolarHBondContact O-N 3.42Å; K182-V184 VanDerWaalsContact C-N 3.29Å; K182-V184 PolarHBondContact O-N 3.06Å; K182-K185 PolarHBondContact O-N 3.36Å; K182-K185 VanDerWaalsContact O-N 3.12Å; K182-Y186 HydrophobicContact CB-CD2 4.14Å; K182-Y186 HydrophobicContact CB-CE2 4.25Å; K182-Y186 HydrophobicContact CG-CE2 4.34Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.18Å
183Q80.9Confident74Confident57 Ų57100.6 Ų100.627%0.26654%0.538SS..Hα-helixtrans-60.6-36.8176.8-73.1177.5-46.400112.3V179 L180 G187 T188 F189V179-Q183 HydrophobicContact CG1-CG 4.29Å; V179-Q183 WeakPolarHBondContact O-CB 3.46Å; V179-Q183 VanDerWaalsContact O-CG 3.31Å; V179-Q183 WeakPolarHBondContact O-CG 3.35Å; V179-Q183 PolarHBondContact O-N 2.6Å; L180-Q183 PolarHBondContact O-N 3.37Å; Q183-G187 CarbonylContact O-C 3.44Å; Q183-G187 WeakPolarHBondContact O-CA 3.36Å; Q183-G187 PolarHBondContact O-N 3.25Å; Q183-G187 VanDerWaalsContact O-N 3.1Å; Q183-T188 PolarHBondContact O-N 3.4Å; Q183-F189 HydrophobicContact CB-CB 3.96Å; Q183-F189 HydrophobicContact CB-CD2 4.28Å; Q183-F189 PolarHBondContact O-N 3.27Å; Q183-F189 VanDerWaalsContact O-N 3.11Å
184V76.8Confident73.9Confident106 Ų10698 Ų9864%0.64251%0.514SS*.Hα-helixtrans-68.5-45.3172173.10000111.2L180 R181 K182 Y186 G187 F189L180-V184 WeakPolarHBondContact O-CG2 3.3Å; L180-V184 PolarHBondContact O-N 2.83Å; R181-V184 PolarHBondContact O-N 3.4Å; K182-V184 VanDerWaalsContact C-N 3.29Å; K182-V184 PolarHBondContact O-N 3.06Å; V184-Y186 PolarHBondContact O-N 2.75Å; V184-G187 PolarHBondContact O-N 2.83Å; V184-F189 HydrophobicContact CG2-CB 4.49Å
185K81.2Confident74Confident163 Ų16399 Ų9971%0.70951%0.512SS*.Hα-helixtrans-62.2-39.6-179.6-175.6177.8-179.7-178.90113R181 K182R181-K185 WeakPolarHBondContact O-CB 3.32Å; R181-K185 PolarHBondContact O-N 3.18Å; K182-K185 PolarHBondContact O-N 3.36Å; K182-K185 VanDerWaalsContact O-N 3.12Å
186Y81.4Confident74.2Confident159 Ų159103 Ų10362%0.62453%0.526SS*.THydrogen-bonded Turntrans-99.79.3-177-62.1-69.4000113.3K182 V184 T188K182-Y186 HydrophobicContact CB-CD2 4.14Å; K182-Y186 HydrophobicContact CB-CE2 4.25Å; K182-Y186 HydrophobicContact CG-CE2 4.34Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.18Å; V184-Y186 PolarHBondContact O-N 2.75Å; Y186-T188 PolarHBondContact O-N 2.9Å; Y186-T188 VanDerWaalsContact O-N 3.1Å; Y186-T188 PolarHBondContact O-OG1 3.27Å
187G74.2Confident73.9Confident67 Ų67103.4 Ų103.469%0.69152%0.52SS*.THydrogen-bonded Turntrans65.111.1179.500000115.2Q183 V184 F189Q183-G187 CarbonylContact O-C 3.44Å; Q183-G187 WeakPolarHBondContact O-CA 3.36Å; Q183-G187 PolarHBondContact O-N 3.25Å; Q183-G187 VanDerWaalsContact O-N 3.1Å; V184-G187 PolarHBondContact O-N 2.83Å; G187-F189 PolarHBondContact O-N 3.03Å
188T67.5Low73.7Confident92 Ų9298.1 Ų98.156%0.56451%0.507SS*.  trans-82.72.4-179.8-260000113Q183 Y186 S190Q183-T188 PolarHBondContact O-N 3.4Å; Y186-T188 PolarHBondContact O-N 2.9Å; Y186-T188 VanDerWaalsContact O-N 3.1Å; Y186-T188 PolarHBondContact O-OG1 3.27Å; T188-S190 VanDerWaalsContact C-N 3.34Å; T188-S190 PolarHBondContact O-N 3.18Å
189F66.1Low73.7Confident99 Ų9996.7 Ų96.743%0.43450%0.502SS..  trans-7784.9175.6-169.2-97.6000110L180 Q183 V184 G187 N191L180-F189 HydrophobicContact CD2-CD2 4.24Å; L180-F189 HydrophobicContact CD2-CE2 3.75Å; Q183-F189 HydrophobicContact CB-CB 3.96Å; Q183-F189 HydrophobicContact CB-CD2 4.28Å; Q183-F189 PolarHBondContact O-N 3.27Å; Q183-F189 VanDerWaalsContact O-N 3.11Å; V184-F189 HydrophobicContact CG2-CB 4.49Å; G187-F189 PolarHBondContact O-N 3.03Å; F189-N191 HydrophobicContact CE1-CB 4.49Å
190S61.3Low73.9Confident84 Ų8498.5 Ų98.559%0.58751%0.506SS*.  trans-88.4117.1169.11710000109.2T188 V192T188-S190 VanDerWaalsContact C-N 3.34Å; T188-S190 PolarHBondContact O-N 3.18Å; S190-V192 PolarHBondContact O-N 3.11Å
191N63.2Low73.9Confident124 Ų12496.6 Ų96.666%0.66350%0.496SS*.  trans-79.970.6170.9-14615.2000107.7F189 A193F189-N191 HydrophobicContact CE1-CB 4.49Å; N191-A193 PolarHBondContact O-N 3.26Å
192V61.9Low74Confident110 Ų11098.4 Ų98.467%0.66750%0.503SS*.PPolyproline II helixtrans-68124175.9-113.70000108.1S190 S194S190-V192 PolarHBondContact O-N 3.11Å; V192-S194 PolarHBondContact O-N 3.08Å
193A64.2Low74.1Confident33 Ų33101.6 Ų101.627%0.27351%0.512SS..PPolyproline II helixtrans-55.2136.4175.300000110.2N191 E197 V198 V215N191-A193 PolarHBondContact O-N 3.26Å; A193-E197 HydrophobicContact CB-CB 4.27Å; A193-V198 HydrophobicContact CB-CG2 3.94Å; A193-V215 HydrophobicContact CB-CG1 3.21Å
194S67.4Low74.3Confident53 Ų53102.2 Ų102.237%0.37151%0.512SS..PPolyproline II helixtrans-60.4156.3174.465.40000110.8V192 E196 E197 V198V192-S194 PolarHBondContact O-N 3.08Å; S194-E196 PolarHBondContact O-N 2.97Å; S194-E197 WeakPolarHBondContact CB-OE2 3.15Å; S194-E197 PolarHBondContact N-OE2 2.97Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.47Å; S194-E197 VanDerWaalsContact OG-CD 3.26Å; S194-E197 WeakPolarHBondContact OG-CG 3.4Å; S194-E197 PolarHBondContact OG-N 2.93Å; S194-E197 PolarHBondContact OG-OE2 3.27Å; S194-V198 WeakPolarHBondContact O-CG2 3.49Å; S194-V198 PolarHBondContact O-N 2.88Å
195R71.9Confident74.5Confident187 Ų187100.8 Ų100.871%0.70650%0.501SS*.Hα-helixtrans-54.3-42.6177.5-175-172.8176.2-142.62.8111.5V198 L199R195-V198 PolarHBondContact O-N 3.09Å; R195-L199 HydrophobicContact CG-CD1 3.85Å; R195-L199 HydrophobicContact CG-CG 4.43Å; R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 VanDerWaalsContact O-CG 3.29Å; R195-L199 WeakPolarHBondContact O-CG 3.45Å; R195-L199 PolarHBondContact O-N 3.12Å
196E77Confident74.7Confident120 Ų12099.2 Ų99.256%0.56150%0.5SS*.Hα-helixtrans-58.6-45.4174.6-89.757.8-138.800112.3S194 V198 L199 Q200S194-E196 PolarHBondContact O-N 2.97Å; E196-V198 VanDerWaalsContact C-N 3.34Å; E196-V198 PolarHBondContact O-N 2.74Å; E196-L199 PolarHBondContact O-N 3.37Å; E196-Q200 WeakPolarHBondContact O-CB 3.18Å; E196-Q200 PolarHBondContact O-N 3.14Å
197E73.8Confident74.8Confident94 Ų9494.9 Ų94.944%0.43950%0.497SS..Hα-helixtrans-65.3-38178.6-72.7167.5136.200111.9A193 S194 S201 V215A193-E197 HydrophobicContact CB-CB 4.27Å; S194-E197 WeakPolarHBondContact CB-OE2 3.15Å; S194-E197 PolarHBondContact N-OE2 2.97Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.47Å; S194-E197 VanDerWaalsContact OG-CD 3.26Å; S194-E197 WeakPolarHBondContact OG-CG 3.4Å; S194-E197 PolarHBondContact OG-N 2.93Å; S194-E197 PolarHBondContact OG-OE2 3.27Å; E197-S201 VanDerWaalsContact O-CB 3.23Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 3.12Å; E197-V215 HydrophobicContact CB-CG1 3.96Å; E197-V215 HydrophobicContact CB-CG2 4.16Å
198V76.4Confident75.2Confident62 Ų6294.5 Ų94.538%0.37649%0.494SS..Hα-helixtrans-67.4-47175.1176.50000111.1A193 S194 R195 E196 Q200 S201 R202A193-V198 HydrophobicContact CB-CG2 3.94Å; S194-V198 WeakPolarHBondContact O-CG2 3.49Å; S194-V198 PolarHBondContact O-N 2.88Å; R195-V198 PolarHBondContact O-N 3.09Å; E196-V198 VanDerWaalsContact C-N 3.34Å; E196-V198 PolarHBondContact O-N 2.74Å; V198-Q200 VanDerWaalsContact C-N 3.34Å; V198-Q200 PolarHBondContact O-N 3.29Å; V198-S201 PolarHBondContact O-N 3.39Å; V198-R202 WeakPolarHBondContact O-CB 3.29Å; V198-R202 PolarHBondContact O-N 3.17Å
199L82Confident75.8Confident70 Ų7093.9 Ų93.937%0.36649%0.485SS..Hα-helixtrans-61.4-43.3177.7-77.5166.2000111.4R195 E196 R202 R203R195-L199 HydrophobicContact CG-CD1 3.85Å; R195-L199 HydrophobicContact CG-CG 4.43Å; R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 VanDerWaalsContact O-CG 3.29Å; R195-L199 WeakPolarHBondContact O-CG 3.45Å; R195-L199 PolarHBondContact O-N 3.12Å; E196-L199 PolarHBondContact O-N 3.37Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 3.09Å; L199-R203 WeakPolarHBondContact O-CG 3.42Å; L199-R203 PolarHBondContact O-N 3.28Å
200Q83.5Confident76.3Confident101 Ų10198.8 Ų98.847%0.47250%0.501SS..Hα-helixtrans-70-39.2179.9-168.5165.714.800111.6E196 V198 R202 R203 Y204E196-Q200 WeakPolarHBondContact O-CB 3.18Å; E196-Q200 PolarHBondContact O-N 3.14Å; V198-Q200 VanDerWaalsContact C-N 3.34Å; V198-Q200 PolarHBondContact O-N 3.29Å; Q200-R202 VanDerWaalsContact C-N 3.29Å; Q200-R202 PolarHBondContact O-N 2.85Å; Q200-R203 WeakPolarHBondContact O-CB 2.81Å; Q200-R203 PolarHBondContact O-N 3.33Å; Q200-Y204 HydrophobicContact CG-CD2 4.11Å; Q200-Y204 HydrophobicContact CG-CE2 3.55Å; Q200-Y204 PolarHBondContact NE2-OH 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3.36Å; Q200-Y204 PolarHBondContact O-N 3.45Å
201S78.7Confident77.2Confident3 Ų3101.6 Ų101.62%0.02151%0.509CS..Hα-helixtrans-61.6-38.4172-164.80000111.8E197 V198 Y204 L205 A213E197-S201 VanDerWaalsContact O-CB 3.23Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 3.12Å; V198-S201 PolarHBondContact O-N 3.39Å; S201-Y204 PolarHBondContact O-N 2.93Å; S201-L205 WeakPolarHBondContact O-CG 3.24Å; S201-L205 PolarHBondContact O-N 3.19Å; S201-A213 WeakPolarHBondContact OG-CA 3.07Å
202R82Confident77.7Confident164 Ų164101.2 Ų101.262%0.61950%0.501SS*.Hα-helixtrans-64.7-43.5174.6-169174.1-179.31730.9111.9V198 L199 Q200 Y204 L205 D206V198-R202 WeakPolarHBondContact O-CB 3.29Å; V198-R202 PolarHBondContact O-N 3.17Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 3.09Å; Q200-R202 VanDerWaalsContact C-N 3.29Å; Q200-R202 PolarHBondContact O-N 2.85Å; R202-Y204 VanDerWaalsContact C-N 3.32Å; R202-Y204 PolarHBondContact O-N 3.24Å; R202-L205 PolarHBondContact O-N 2.94Å; R202-L205 VanDerWaalsContact O-N 3.13Å; R202-D206 PolarHBondContact O-N 3.4Å
203R85.2Confident78.1Confident185 Ų18596.8 Ų96.870%0.69848%0.476SS*.Hα-helixtrans-58.4-41.1173.2-71.1176.4-177.9-174.41.1112.5L199 Q200 A207L199-R203 WeakPolarHBondContact O-CG 3.42Å; L199-R203 PolarHBondContact O-N 3.28Å; Q200-R203 WeakPolarHBondContact O-CB 2.81Å; Q200-R203 PolarHBondContact O-N 3.33Å; R203-A207 VanDerWaalsContact O-CB 3.31Å; R203-A207 WeakPolarHBondContact O-CB 3.29Å; R203-A207 PolarHBondContact O-N 3.09Å
204Y84.8Confident78Confident71 Ų71102.6 Ų102.628%0.27850%0.496SS..Hα-helixtrans-67.2-35176.1-71.2-52.4000112.7Q200 S201 R202 A207 G208 M209 K212Q200-Y204 HydrophobicContact CG-CD2 4.11Å; Q200-Y204 HydrophobicContact CG-CE2 3.55Å; Q200-Y204 PolarHBondContact NE2-OH 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3.36Å; Q200-Y204 PolarHBondContact O-N 3.45Å; S201-Y204 PolarHBondContact O-N 2.93Å; R202-Y204 VanDerWaalsContact C-N 3.32Å; R202-Y204 PolarHBondContact O-N 3.24Å; Y204-A207 PolarHBondContact O-N 2.86Å; Y204-G208 PolarHBondContact O-N 2.94Å; Y204-M209 HydrophobicContact CD1-CB 4.35Å; Y204-M209 HydrophobicContact CD1-SD 4.22Å; Y204-M209 WeakPolarHBondContact O-CA 3.35Å; Y204-M209 PolarHBondContact O-N 3.42Å; Y204-K212 HydrophobicContact CD1-CB 3.89Å; Y204-K212 HydrophobicContact CD1-CD 4.17Å; Y204-K212 HydrophobicContact CD2-CB 3.97Å; Y204-K212 HydrophobicContact CE1-CB 4.21Å; Y204-K212 HydrophobicContact CE1-CD 3.97Å; Y204-K212 HydrophobicContact CE2-CB 4.25Å; Y204-K212 HydrophobicContact CG-CB 3.79Å
205L81.2Confident77.6Confident75 Ų75101.9 Ų101.939%0.39349%0.489SS..Hα-helixtrans-68.4-45.5174.6-71.7178.2000112.3S201 R202 A207 G208 R210 A213 L216S201-L205 WeakPolarHBondContact O-CG 3.24Å; S201-L205 PolarHBondContact O-N 3.19Å; R202-L205 PolarHBondContact O-N 2.94Å; R202-L205 VanDerWaalsContact O-N 3.13Å; L205-A207 PolarHBondContact O-N 3.34Å; L205-G208 PolarHBondContact O-N 2.94Å; L205-R210 HydrophobicContact CD2-CG 4.46Å; L205-A213 HydrophobicContact CD2-CB 3.59Å; L205-A213 HydrophobicContact CG-CB 3.71Å; L205-L216 HydrophobicContact CD1-CD1 3.35Å; L205-L216 HydrophobicContact CG-CD1 4.46Å
206D84.1Confident76.8Confident130 Ų13097.2 Ų97.270%0.69548%0.477SS*.Hα-helixtrans-61.8-31.4176.5-70.4-21000111.3R202 G208R202-D206 PolarHBondContact O-N 3.4Å; D206-G208 VanDerWaalsContact C-N 3.33Å
207A85.2Confident75.5Confident68 Ų6899.6 Ų99.656%0.56249%0.488SS*.THydrogen-bonded Turntrans-85.16.4174.800000114.7R203 Y204 L205 M209R203-A207 VanDerWaalsContact O-CB 3.31Å; R203-A207 WeakPolarHBondContact O-CB 3.29Å; R203-A207 PolarHBondContact O-N 3.09Å; Y204-A207 PolarHBondContact O-N 2.86Å; L205-A207 PolarHBondContact O-N 3.34Å; A207-M209 HydrophobicContact CB-CG 4.34Å; A207-M209 PolarHBondContact O-N 3.49Å
208G81.3Confident74.3Confident60 Ų60104.7 Ų104.762%0.61950%0.503SS*.THydrogen-bonded Turntrans72.55.717900000115.8Y204 L205 D206 R210Y204-G208 PolarHBondContact O-N 2.94Å; L205-G208 PolarHBondContact O-N 2.94Å; D206-G208 VanDerWaalsContact C-N 3.33Å; G208-R210 PolarHBondContact O-N 3.49Å; G208-R210 VanDerWaalsContact O-N 3.14Å
209M80.3Confident72.8Confident79 Ų79107.6 Ų107.639%0.38952%0.521SS..  trans-89.267.2-176.8-54.2-168.290.500112.2Y204 A207 D211 K212 A213Y204-M209 HydrophobicContact CD1-CB 4.35Å; Y204-M209 HydrophobicContact CD1-SD 4.22Å; Y204-M209 WeakPolarHBondContact O-CA 3.35Å; Y204-M209 PolarHBondContact O-N 3.42Å; A207-M209 HydrophobicContact CB-CG 4.34Å; A207-M209 PolarHBondContact O-N 3.49Å; M209-D211 VanDerWaalsContact C-N 3.28Å; M209-D211 PolarHBondContact O-N 3.09Å; M209-K212 HydrophobicContact CB-CB 4.36Å; M209-K212 HydrophobicContact CB-CD 4.39Å; M209-K212 HydrophobicContact CB-CG 4.44Å; M209-K212 HydrophobicContact CE-CD 3.77Å; M209-K212 VanDerWaalsContact CE-CE 3.47Å; M209-K212 PolarHBondContact O-N 3.45Å; M209-K212 VanDerWaalsContact O-N 3.08Å; M209-K212 HydrophobicContact SD-CD 4Å; M209-A213 PolarHBondContact O-N 3.26Å
210R77.3Confident70.8Confident202 Ų202108.4 Ų108.476%0.76254%0.538SS*.G310 helixtrans-57.5-36.5-175.1-68.2-178174.3179.5-1.4113.9L205 G208 K212 A213L205-R210 HydrophobicContact CD2-CG 4.46Å; G208-R210 PolarHBondContact O-N 3.49Å; G208-R210 VanDerWaalsContact O-N 3.14Å; R210-K212 PolarHBondContact O-N 3.31Å; R210-K212 VanDerWaalsContact O-N 3.14Å; R210-A213 PolarHBondContact O-N 3.08Å; R210-A213 VanDerWaalsContact O-N 3.11Å
211D79.3Confident68.5Low142 Ų142108.1 Ų108.176%0.75955%0.547SS*.G310 helixtrans-64.5-20.7-179.5-52.9-42.2000113.5M209 K214M209-D211 VanDerWaalsContact C-N 3.28Å; M209-D211 PolarHBondContact O-N 3.09Å; D211-K214 WeakPolarHBondContact O-CE 3.2Å
212K73.4Confident66.5Low116 Ų116114.8 Ų114.850%0.50459%0.59SS.*G310 helixtrans-95.2-15.9179.4-61.2-170.8-180-179.70112.8Y204 M209 R210 K214Y204-K212 HydrophobicContact CD1-CB 3.89Å; Y204-K212 HydrophobicContact CD1-CD 4.17Å; Y204-K212 HydrophobicContact CD2-CB 3.97Å; Y204-K212 HydrophobicContact CE1-CB 4.21Å; Y204-K212 HydrophobicContact CE1-CD 3.97Å; Y204-K212 HydrophobicContact CE2-CB 4.25Å; Y204-K212 HydrophobicContact CG-CB 3.79Å; M209-K212 HydrophobicContact CB-CB 4.36Å; M209-K212 HydrophobicContact CB-CD 4.39Å; M209-K212 HydrophobicContact CB-CG 4.44Å; M209-K212 HydrophobicContact CE-CD 3.77Å; M209-K212 VanDerWaalsContact CE-CE 3.47Å; M209-K212 PolarHBondContact O-N 3.45Å; M209-K212 VanDerWaalsContact O-N 3.08Å; M209-K212 HydrophobicContact SD-CD 4Å; R210-K212 PolarHBondContact O-N 3.31Å; R210-K212 VanDerWaalsContact O-N 3.14Å; K212-K214 VanDerWaalsContact C-N 3.31Å; K212-K214 PolarHBondContact O-N 2.9Å; K212-K214 VanDerWaalsContact O-N 3.1Å
213A70.3Confident64.4Low17 Ų17109.2 Ų109.214%0.1458%0.584CS.*  trans-86.260.117900000112.1S201 L205 M209 R210 V215S201-A213 WeakPolarHBondContact OG-CA 3.07Å; L205-A213 HydrophobicContact CD2-CB 3.59Å; L205-A213 HydrophobicContact CG-CB 3.71Å; M209-A213 PolarHBondContact O-N 3.26Å; R210-A213 PolarHBondContact O-N 3.08Å; R210-A213 VanDerWaalsContact O-N 3.11Å; A213-V215 VanDerWaalsContact C-N 3.33Å; A213-V215 PolarHBondContact O-N 3.39Å
214K63Low62.2Low156 Ų156108.3 Ų108.368%0.67859%0.593SS**  trans-81.6-5.2-173.1-61.4-173.4-178.5-173.40115D211 K212D211-K214 WeakPolarHBondContact O-CE 3.2Å; K212-K214 VanDerWaalsContact C-N 3.31Å; K212-K214 PolarHBondContact O-N 2.9Å; K212-K214 VanDerWaalsContact O-N 3.1Å
215V59.1Low60Low37 Ų37113.1 Ų113.122%0.22462%0.621CS.*SBendtrans-89.4-30.5-165.2-1800000112.5A193 E197 A213 H217A193-V215 HydrophobicContact CB-CG1 3.21Å; E197-V215 HydrophobicContact CB-CG1 3.96Å; E197-V215 HydrophobicContact CB-CG2 4.16Å; A213-V215 VanDerWaalsContact C-N 3.33Å; A213-V215 PolarHBondContact O-N 3.39Å; V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.21Å
216L54.9Low57.9Low89 Ų89112.9 Ų112.947%0.46664%0.637SS.*G310 helixtrans-75.6-15.9-173.9-71.5165000114.3L205 R218L205-L216 HydrophobicContact CD1-CD1 3.35Å; L205-L216 HydrophobicContact CG-CD1 4.46Å; L216-R218 PolarHBondContact O-N 2.9Å
217H48.9Very low55.8Low171 Ų171115 Ų11579%0.79265%0.645SS**G310 helixtrans-84.1-3.3-176.1-148.4-63.7000114.5V215V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.21Å
218R49Very low53.6Low200 Ų200117.7 Ų117.776%0.75566%0.66SS**G310 helixtrans-92.6-3.7-175.8-68.6-168.3-164.9169.45.5115.4L216L216-R218 PolarHBondContact O-N 2.9Å
219V45.5Very low51.9Low123 Ų123120.2 Ų120.275%0.74567%0.668SS**SBendtrans-89.9-4.3-172.2-176.60000113.1
220A39.4Very low49.9Very low87 Ų87128.4 Ų128.472%0.71969%0.694SS**SBendtrans-147.680.9-177.300000112.4
221S36.1Very low48.3Very low96 Ų96121.8 Ų121.867%0.67169%0.689SS**  trans-178116142.1-158.70000111G223S221-G223 PolarHBondContact O-N 2.73Å
222P36.8Very low46.4Very low143 Ų143122.7 Ų122.793%0.92969%0.693SS**SBendtrans-76.790.5161.310.85.2000108.3
223G37.1Very low45.2Very low46 Ų46128.2 Ų128.247%0.47471%0.711SS.*  trans152.485.8175.300000111.6S221S221-G223 PolarHBondContact O-N 2.73Å
224D38.7Very low44.2Very low166 Ų166136.5 Ų136.589%0.88874%0.744SS**  trans-174.783.7147.5-92.3-27.8000108.3G226D224-G226 PolarHBondContact O-N 2.94Å
225I40Very low43.4Very low172 Ų172136.2 Ų136.288%0.88275%0.75SS**  trans-78.777167.6-58.9174.2000106.4
226G35.7Very low43.1Very low70 Ų70140.5 Ų140.572%0.72278%0.776SS**  trans-89.9100.2173.100000110.8D224 S228D224-G226 PolarHBondContact O-N 2.94Å; G226-S228 PolarHBondContact O-N 3.07Å
227M40.2Very low43.3Very low175 Ų175144.8 Ų144.886%0.86279%0.791SS**  trans-66.8120.2171.1-61.1172.373.700110.4
228S39.1Very low43.7Very low125 Ų125142.4 Ų142.487%0.87479%0.79SS**  trans173.5141.8156.4-820000107.4G226G226-S228 PolarHBondContact O-N 3.07Å
229S45.1Very low44.5Very low112 Ų112137.6 Ų137.678%0.78379%0.793SS**  cis-155.1140.310.3143.40000105.7G231S229-G231 PolarHBondContact O-N 3.33Å; S229-G231 VanDerWaalsContact O-N 3.08Å
230R40.1Very low45.5Very low252 Ų252138.7 Ų138.795%0.95179%0.788SS**  trans-70.399.7179.7-74.8174.1172.8170.5-2.2109.4
231G42Very low46.8Very low62 Ų62137.1 Ų137.164%0.63978%0.775SS**  trans-71.8123.6166.300000111.1S229 R233S229-G231 PolarHBondContact O-N 3.33Å; S229-G231 VanDerWaalsContact O-N 3.08Å; G231-R233 PolarHBondContact O-N 3.43Å
232D40.7Very low48.6Very low161 Ų161138.2 Ų138.286%0.86178%0.78SS**  trans-48.6107.6-177.3-152.7-3.1000113
233R47.7Very low50.3Low232 Ų232138.1 Ų138.188%0.87577%0.771SS**  trans-105.8107.5173.1-73-171.6-170.2-179.83.6108.7G231 N235G231-R233 PolarHBondContact O-N 3.43Å; R233-N235 PolarHBondContact O-N 3.12Å; R233-N235 VanDerWaalsContact O-N 3.12Å
234K49.8Very low52.3Low192 Ų192140.4 Ų140.484%0.83577%0.77SS**  trans-46.1118.2169-60.4-178-178-178.20109.1V236K234-V236 VanDerWaalsContact C-N 3.29Å; K234-V236 PolarHBondContact O-N 2.69Å
235N45.3Very low54.1Low150 Ų150134.8 Ų134.880%0.80275%0.747SS**  trans-70.782.8-177.8-165.70000109.6R233 K237R233-N235 PolarHBondContact O-N 3.12Å; R233-N235 VanDerWaalsContact O-N 3.12Å; N235-K237 PolarHBondContact O-N 2.91Å
236V52.5Low55.9Low127 Ų127134.8 Ų134.877%0.7774%0.74SS**  trans-79.2106.1170.5-177.50000107K234K234-V236 VanDerWaalsContact C-N 3.29Å; K234-V236 PolarHBondContact O-N 2.69Å
237K59.6Low57.9Low178 Ų178134.4 Ų134.477%0.77472%0.724SS**PPolyproline II helixtrans-51.4132173.4-62.9175.5-177174.40108.6N235 A239N235-K237 PolarHBondContact O-N 2.91Å; K237-A239 PolarHBondContact O-N 3.01Å; K237-A239 VanDerWaalsContact O-N 3.08Å
238P57.2Low59.8Low121 Ų121129.7 Ų129.779%0.78670%0.702SS**PPolyproline II helixtrans-62.4119.1-17924.8-32.1000108.9K240P238-K240 PolarHBondContact O-N 3.01Å
239A66.8Low61.7Low99 Ų99131.4 Ų131.482%0.81869%0.694SS**PPolyproline II helixtrans-58.1121.2170.500000108.1K237 A241K237-A239 PolarHBondContact O-N 3.01Å; K237-A239 VanDerWaalsContact O-N 3.08Å; A239-A241 PolarHBondContact O-N 3.2Å
240K65.7Low63.1Low147 Ų147132.5 Ų132.564%0.63969%0.688SS**PPolyproline II helixtrans-60.4124.2175-74.2169.8175.6177.50108P238 L248P238-K240 PolarHBondContact O-N 3.01Å; K240-L248 HydrophobicContact CD-CD1 3.67Å; K240-L248 HydrophobicContact CG-CD1 4.4Å
241A67.7Low64.9Low53 Ų53124.4 Ų124.444%0.43866%0.663SS.*PPolyproline II helixtrans-53144176.400000110.4A239 L243 M244 A245A239-A241 PolarHBondContact O-N 3.2Å; A241-L243 PolarHBondContact O-N 2.88Å; A241-M244 HydrophobicContact CB-CG 4.46Å; A241-M244 WeakPolarHBondContact O-CA 3.24Å; A241-M244 WeakPolarHBondContact O-CB 3.38Å; A241-M244 PolarHBondContact O-N 3.41Å; A241-A245 PolarHBondContact O-N 3.44Å
242P72.6Confident66.5Low120 Ų120129.4 Ų129.478%0.77967%0.667SS**Hα-helixtrans-53.7-35-173.1-26.532.7000114.1
243L73.3Confident67.9Low140 Ų140129.4 Ų129.473%0.73366%0.662SS**Hα-helixtrans-66.9-43.7175.8-159.981.9000112.1A241 A245 K246 T247A241-L243 PolarHBondContact O-N 2.88Å; L243-A245 VanDerWaalsContact C-N 3.3Å; L243-A245 PolarHBondContact O-N 3.45Å; L243-K246 PolarHBondContact O-N 3.38Å; L243-T247 PolarHBondContact O-N 3.45Å; L243-T247 PolarHBondContact O-OG1 2.9Å
244M79.7Confident68.7Low95 Ų95123.3 Ų123.347%0.46865%0.654SS.*Hα-helixtrans-68.7-29.3179.3-74-88.588.200112.5A241 K246 T247 L248A241-M244 HydrophobicContact CB-CG 4.46Å; A241-M244 WeakPolarHBondContact O-CA 3.24Å; A241-M244 WeakPolarHBondContact O-CB 3.38Å; A241-M244 PolarHBondContact O-N 3.41Å; M244-K246 VanDerWaalsContact C-N 3.35Å; M244-T247 HydrophobicContact CE-CG2 4.42Å; M244-T247 PolarHBondContact O-N 3.21Å; M244-L248 WeakPolarHBondContact O-CB 3.26Å; M244-L248 WeakPolarHBondContact O-CG 3.4Å; M244-L248 PolarHBondContact O-N 3.47Å
245A76.3Confident69.3Low47 Ų47121.9 Ų121.939%0.38865%0.65SS.*Hα-helixtrans-63.2-40.7174.400000111.7A241 L243 K249A241-A245 PolarHBondContact O-N 3.44Å; L243-A245 VanDerWaalsContact C-N 3.3Å; L243-A245 PolarHBondContact O-N 3.45Å; A245-K249 WeakPolarHBondContact O-CB 3.17Å; A245-K249 PolarHBondContact O-N 2.95Å
246K76.2Confident70Confident172 Ų172118 Ų11875%0.74865%0.646SS**Hα-helixtrans-64.9-46.7174.4-100.4-178.6173.2-179.40111.8L243 M244 K249 M250L243-K246 PolarHBondContact O-N 3.38Å; M244-K246 VanDerWaalsContact C-N 3.35Å; K246-K249 PolarHBondContact O-N 3.28Å; K246-M250 PolarHBondContact O-N 3.46Å
247T78.9Confident70.1Confident62 Ų62115.1 Ų115.138%0.3864%0.641SS.*Hα-helixtrans-63.5-44.8-179.1-49.50000112.6L243 M244 K249 M250 I251L243-T247 PolarHBondContact O-N 3.45Å; L243-T247 PolarHBondContact O-OG1 2.9Å; M244-T247 HydrophobicContact CE-CG2 4.42Å; M244-T247 PolarHBondContact O-N 3.21Å; T247-K249 VanDerWaalsContact C-N 3.28Å; T247-K249 PolarHBondContact O-N 3.22Å; T247-M250 PolarHBondContact O-N 2.83Å; T247-I251 HydrophobicContact CG2-CD1 4.03Å; T247-I251 WeakPolarHBondContact O-CG1 3.35Å; T247-I251 PolarHBondContact O-N 3.35Å; T247-I251 VanDerWaalsContact O-N 3.09Å
248L79.4Confident69.7Low77 Ų77118.2 Ų118.240%0.40365%0.648SS.*Hα-helixtrans-66.9-29.7179.1-72.7168.4000112.8K240 M244 K252K240-L248 HydrophobicContact CD-CD1 3.67Å; K240-L248 HydrophobicContact CG-CD1 4.4Å; M244-L248 WeakPolarHBondContact O-CB 3.26Å; M244-L248 WeakPolarHBondContact O-CG 3.4Å; M244-L248 PolarHBondContact O-N 3.47Å; L248-K252 WeakPolarHBondContact O-CB 3.09Å; L248-K252 PolarHBondContact O-N 3.48Å
249K78.9Confident69.1Low161 Ų161123.5 Ų123.570%0.765%0.653SS**Hα-helixtrans-69.3-41.5176.1-153.1176-171.8-178.30111.3A245 K246 T247 Q253A245-K249 WeakPolarHBondContact O-CB 3.17Å; A245-K249 PolarHBondContact O-N 2.95Å; K246-K249 PolarHBondContact O-N 3.28Å; T247-K249 VanDerWaalsContact C-N 3.28Å; T247-K249 PolarHBondContact O-N 3.22Å; K249-Q253 PolarHBondContact O-N 2.83Å
250M75.9Confident68.1Low135 Ų135133.7 Ų133.767%0.66567%0.672SS**Hα-helixtrans-63.8-46173.9-91.5179.462.500112.7K246 T247 K252 Q253 C254K246-M250 PolarHBondContact O-N 3.46Å; T247-M250 PolarHBondContact O-N 2.83Å; M250-K252 VanDerWaalsContact C-N 3.31Å; M250-K252 PolarHBondContact O-N 2.95Å; M250-Q253 PolarHBondContact O-N 2.7Å; M250-Q253 VanDerWaalsContact O-N 3.13Å; M250-C254 PolarHBondContact O-N 2.92Å; M250-C254 VanDerWaalsContact O-N 3.1Å; M250-C254 PolarHBondContact O-SG 3.42Å; M250-C254 VanDerWaalsContact O-SG 3.4Å
251I77.4Confident68.2Low82 Ų82133.1 Ų133.142%0.42167%0.674SS.*Hα-helixtrans-61.2-41.3-179.2-67167000111.1T247 Q253 C254 Q255T247-I251 HydrophobicContact CG2-CD1 4.03Å; T247-I251 WeakPolarHBondContact O-CG1 3.35Å; T247-I251 PolarHBondContact O-N 3.35Å; T247-I251 VanDerWaalsContact O-N 3.09Å; I251-Q253 VanDerWaalsContact C-N 3.3Å; I251-Q253 PolarHBondContact O-N 3.45Å; I251-C254 PolarHBondContact O-N 3.48Å; I251-Q255 WeakPolarHBondContact O-CG 3.28Å; I251-Q255 PolarHBondContact O-N 2.85Å
252K75.8Confident68.2Low167 Ų167137.3 Ų137.373%0.72669%0.686SS**Hα-helixtrans-66.5-32177.9-169.8173.2178.5176.40112.5L248 M250L248-K252 WeakPolarHBondContact O-CB 3.09Å; L248-K252 PolarHBondContact O-N 3.48Å; M250-K252 VanDerWaalsContact C-N 3.31Å; M250-K252 PolarHBondContact O-N 2.95Å
253Q69.3Low68Low160 Ų160138.2 Ų138.275%0.74868%0.681SS**Hα-helixtrans-75.8-30.8179.3-166.2150.90.500112.6K249 M250 I251K249-Q253 PolarHBondContact O-N 2.83Å; M250-Q253 PolarHBondContact O-N 2.7Å; M250-Q253 VanDerWaalsContact O-N 3.13Å; I251-Q253 VanDerWaalsContact C-N 3.3Å; I251-Q253 PolarHBondContact O-N 3.45Å
254C65Low67.7Low105 Ų105138.1 Ų138.171%0.70968%0.678SS**Hα-helixtrans-76.4-22.7174.6-61.90000113.6M250 I251M250-C254 PolarHBondContact O-N 2.92Å; M250-C254 VanDerWaalsContact O-N 3.1Å; M250-C254 PolarHBondContact O-SG 3.42Å; M250-C254 VanDerWaalsContact O-SG 3.4Å; I251-C254 PolarHBondContact O-N 3.48Å
255Q62.3Low66.9Low161 Ų161140.8 Ų140.875%0.75269%0.691SS**THydrogen-bonded Turntrans-88.5-6.7-178.6-70.8-178.1-7.600114.2I251I251-Q255 WeakPolarHBondContact O-CG 3.28Å; I251-Q255 PolarHBondContact O-N 2.85Å
256G60.3Low66.3Low70 Ų70147.1 Ų147.172%0.72271%0.711SS**THydrogen-bonded Turntrans-93.65.5179.900000115.8
257G54.9Low65.6Low65 Ų65145.3 Ų145.367%0.6771%0.709SS**  trans-108.212.8-164.600000117.9
258R50Low64.6Low244 Ų244151.7 Ų151.792%0.92173%0.734SS**  trans-128.680.8173-78.8-175.7-162.3159.85.2111.6
259R45.9Very low63.3Low232 Ų232157.9 Ų157.988%0.87576%0.761SS**  trans-126.693152.6-79.3-165.8179.1174.10.1106.3
260Y44.4Very low61.9Low313 Ų313157.6 Ų157.6100%1.22777%0.767SS**  trans-172.40143.4-82.4-65000105.9

Retrieved 260 of 260 residues in 113.4 ms (Link to these results)