A0A077Z6V5_TRITR Loading...

Nuclear factor interleukin-3-regulated protein

AlphaFold DB , UniProt , Accession A0A077Z6V5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 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
1M40.5Very low45.4Very low237 Ų237165.6 Ų165.6100%1.16785%0.851SS**  0136.80-77.9-61.3165.200109
2P49Very low44.8Very low117 Ų117161.6 Ų161.676%0.7685%0.848SS**PPolyproline II helixtrans-89.4165.3-15834.8-36.5000114.7
3K41.8Very low44.3Very low199 Ų199153.7 Ų153.787%0.86583%0.83SS**PPolyproline II helixtrans-67.6142.2174.8-61.8173.5-179.3175.30110.1
4K49.2Very low44.2Very low200 Ų200156.9 Ų156.987%0.8783%0.826SS**PPolyproline II helixtrans-99.6125.4167.4-75.7-175175.2-1780109.3
5D41.4Very low44.4Very low159 Ų159155.5 Ų155.585%0.8582%0.82SS**PPolyproline II helixtrans-75.4141.4173-59.2-56.8000110.9
6V53Low44.8Very low132 Ų132156.4 Ų156.480%0.882%0.818SS**  trans-126.8110.2172.8179.90000108.3
7Q42.5Very low45.2Very low179 Ų179154.1 Ų154.184%0.83681%0.807SS**PPolyproline II helixtrans-70129.7174.9-69.1-85.3800110.4
8P47.7Very low45.7Very low114 Ų114150.9 Ų150.974%0.7479%0.794SS**PPolyproline II helixtrans-84.5130.6171.231.5-30.5000111.9
9L41.3Very low46.2Very low159 Ų159152.5 Ų152.583%0.83279%0.789SS**PPolyproline II helixtrans-56.1132.6-178-178.865.3000113.9K11L9-K11 PolarHBondContact O-N 3.4Å
10V43.7Very low46.6Very low131 Ų131147.6 Ų147.679%0.79477%0.771SS**PPolyproline II helixtrans-70.8124.1177.7-170.80000110.7
11K49.6Very low46.9Very low195 Ų195146 Ų14685%0.84876%0.764SS**  trans-108.6115.3161.4-75.7-174.9175.2-178.20109L9L9-K11 PolarHBondContact O-N 3.4Å
12S38.4Very low47.6Very low117 Ų117136.8 Ų136.882%0.81873%0.725SS**  trans-72.4160.1173.649.30000111.5
13G38.3Very low47.9Very low59 Ų59135 Ų13561%0.60871%0.709SS**  trans118.92716100000119.3
14Y42.6Very low48.4Very low199 Ų199131.6 Ų131.678%0.7870%0.697SS**  trans-145.126.2170.3-73.3-67000114.9
15N47.1Very low48.6Very low136 Ų136125 Ų12573%0.72768%0.681SS**  trans-109.25-168.4-77.9-23.9000116.4
16E51.4Low49Very low170 Ų170121.8 Ų121.879%0.79466%0.663SS**Hα-helixtrans-91-40.9176.3-77.6167.7147.400112.2V18 R19 A20E16-V18 VanDerWaalsContact C-N 3.31Å; E16-V18 PolarHBondContact O-N 3.31Å; E16-R19 PolarHBondContact O-N 3.12Å; E16-R19 VanDerWaalsContact O-N 3.07Å; E16-A20 PolarHBondContact O-N 3.2Å
17D51.7Low48.8Very low117 Ų117121.2 Ų121.263%0.62665%0.652SS**Hα-helixtrans-63.7-35.1176.5-60-37.3000112.9R19 N21D17-R19 VanDerWaalsContact C-N 3.33Å; D17-N21 WeakPolarHBondContact O-CB 3.39Å; D17-N21 PolarHBondContact O-N 3.35Å; D17-N21 PolarHBondContact O-ND2 3.47Å
18V53.8Low49.1Very low96 Ų96121 Ų12158%0.58265%0.651SS**Hα-helixtrans-69.2-34.7175.7-174.90000110.6E16 A22E16-V18 VanDerWaalsContact C-N 3.31Å; E16-V18 PolarHBondContact O-N 3.31Å; V18-A22 VanDerWaalsContact O-CB 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.01Å
19R54.4Low49.1Very low182 Ų182122.8 Ų122.869%0.68765%0.647SS**Hα-helixtrans-74.9-40178-163.3176.6-174.3178.61.2111.7E16 D17 A22 I23E16-R19 PolarHBondContact O-N 3.12Å; E16-R19 VanDerWaalsContact O-N 3.07Å; D17-R19 VanDerWaalsContact C-N 3.33Å; R19-A22 PolarHBondContact O-N 3.34Å; R19-I23 HydrophobicContact CG-CD1 4.09Å; R19-I23 VanDerWaalsContact O-CG1 3.28Å; R19-I23 WeakPolarHBondContact O-CG1 3.45Å; R19-I23 PolarHBondContact O-N 3.43Å
20A54.3Low49.4Very low53 Ų53120.6 Ų120.644%0.43864%0.64SS.*Hα-helixtrans-61.1-46.5173.500000111.6E16 A22 I23 M24E16-A20 PolarHBondContact O-N 3.2Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.21Å; A20-I23 PolarHBondContact O-N 2.92Å; A20-M24 WeakPolarHBondContact O-CG 3.43Å; A20-M24 PolarHBondContact O-N 3.31Å
21N53.3Low49.4Very low114 Ų114125.7 Ų125.761%0.6165%0.645SS**Hα-helixtrans-64.5-34.7174.4-77.4-67.3000112.7D17 A25D17-N21 WeakPolarHBondContact O-CB 3.39Å; D17-N21 PolarHBondContact O-N 3.35Å; D17-N21 PolarHBondContact O-ND2 3.47Å; N21-A25 WeakPolarHBondContact O-CB 3.29Å; N21-A25 PolarHBondContact O-N 3.01Å
22A54.5Low49Very low44 Ų44121 Ų12136%0.36464%0.637SS.*Hα-helixtrans-72.9-28.5175.600000113.7V18 R19 A20 N26V18-A22 VanDerWaalsContact O-CB 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.01Å; R19-A22 PolarHBondContact O-N 3.34Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.21Å; A22-N26 WeakPolarHBondContact O-CB 3.47Å; A22-N26 PolarHBondContact O-N 3.41Å; A22-N26 PolarHBondContact O-ND2 3.41Å
23I55.4Low49.1Very low81 Ų81124.3 Ų124.342%0.41564%0.64SS.*Hα-helixtrans-73.3-50174.6-70.7163.9000109.5R19 A20 A25 N26 E27R19-I23 HydrophobicContact CG-CD1 4.09Å; R19-I23 VanDerWaalsContact O-CG1 3.28Å; R19-I23 WeakPolarHBondContact O-CG1 3.45Å; R19-I23 PolarHBondContact O-N 3.43Å; A20-I23 PolarHBondContact O-N 2.92Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 2.84Å; I23-N26 PolarHBondContact O-N 3.45Å; I23-E27 HydrophobicContact CG2-CG 4.42Å; I23-E27 PolarHBondContact O-N 3.27Å
24M53.8Low49.3Very low126 Ų126130.7 Ų130.762%0.62165%0.651SS**Hα-helixtrans-57.8-38.9175.1-64.4-63.2-66.900112.4A20 N26 E28A20-M24 WeakPolarHBondContact O-CG 3.43Å; A20-M24 PolarHBondContact O-N 3.31Å; M24-N26 VanDerWaalsContact C-N 3.27Å; M24-N26 PolarHBondContact O-N 3.12Å; M24-E28 PolarHBondContact O-N 2.93Å
25A52.5Low49.2Very low63 Ų63126.5 Ų126.552%0.52165%0.651SS.*Hα-helixtrans-73.8-11.2176.800000114.8N21 I23N21-A25 WeakPolarHBondContact O-CB 3.29Å; N21-A25 PolarHBondContact O-N 3.01Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 2.84Å
26N49.1Very low48.9Very low90 Ų90128.2 Ų128.248%0.48166%0.66SS.*Hα-helixtrans-103.5-23.6174.4-76.6-46.8000112.6A22 I23 M24 K29A22-N26 WeakPolarHBondContact O-CB 3.47Å; A22-N26 PolarHBondContact O-N 3.41Å; A22-N26 PolarHBondContact O-ND2 3.41Å; I23-N26 PolarHBondContact O-N 3.45Å; M24-N26 VanDerWaalsContact C-N 3.27Å; M24-N26 PolarHBondContact O-N 3.12Å; N26-K29 WeakPolarHBondContact O-CB 3.17Å; N26-K29 PolarHBondContact O-N 2.91Å; N26-K29 VanDerWaalsContact O-N 3.14Å
27E49.4Very low48.8Very low120 Ų120127.1 Ų127.156%0.56166%0.655SS**Hα-helixtrans-76.4-27.4174.6-72.2178.9175.500113.1I23 K29 T30I23-E27 HydrophobicContact CG2-CG 4.42Å; I23-E27 PolarHBondContact O-N 3.27Å; E27-K29 PolarHBondContact O-N 3.31Å; E27-T30 PolarHBondContact O-OG1 3.19Å
28E49.8Very low48.6Very low175 Ų175126 Ų12682%0.81865%0.654SS**THydrogen-bonded Turntrans-66.9-11.1164.9-75.2-166.8143.800113.1M24M24-E28 PolarHBondContact O-N 2.93Å
29K46.3Very low48Very low152 Ų152131.1 Ų131.166%0.66167%0.668SS**THydrogen-bonded Turntrans-95.9-10.7-172.6-155.8176.8176.2-173.30114.2N26 E27N26-K29 WeakPolarHBondContact O-CB 3.17Å; N26-K29 PolarHBondContact O-N 2.91Å; N26-K29 VanDerWaalsContact O-N 3.14Å; E27-K29 PolarHBondContact O-N 3.31Å
30T47.5Very low47.7Very low113 Ų113127.9 Ų127.969%0.69366%0.657SS**SBendtrans-109.48.1-174.751.10000114.2E27E27-T30 PolarHBondContact O-OG1 3.19Å
31R45.1Very low47Very low238 Ų238137.3 Ų137.390%0.89868%0.681SS**SBendtrans-11514.3179.2-147.3-176.9-176.8-170.11.6115.1
32S41.2Very low46.9Very low97 Ų97135.5 Ų135.568%0.67869%0.69SS**  trans-121.933177.671.90000113.1F34S32-F34 PolarHBondContact O-N 3.11Å
33E39.3Very low46.3Very low186 Ų186141.4 Ų141.487%0.86970%0.703SS**  trans-80.857.6177.7-162.3163.5-128.200111.2
34F42.7Very low46.5Very low192 Ų192148.5 Ų148.584%0.84272%0.724SS**SBendtrans-159123.2166.1-129.4-90.7000110.2S32S32-F34 PolarHBondContact O-N 3.11Å
35S40.4Very low46.2Very low111 Ų111151.9 Ų151.978%0.77673%0.73SS**  trans83101.3179.2-360000116.9E37S35-E37 PolarHBondContact O-N 3.06Å
36D41.6Very low46.9Very low173 Ų173154.6 Ų154.693%0.92574%0.74SS**  trans-61.8116159.5-70.3-68.4000111.3
37E48.6Very low47.8Very low146 Ų146152.5 Ų152.568%0.68273%0.731SS**  trans-131139.9160.2-107.1-145.4143.300112.2S35S35-E37 PolarHBondContact O-N 3.06Å
38P47.1Very low48.8Very low93 Ų93150.7 Ų150.760%0.60473%0.73SS**  trans-78.8159.6-16831.2-35.7000114.1Y40P38-Y40 HydrophobicContact CG-CD2 4.43Å; P38-Y40 HydrophobicContact CG-CE2 4.14Å; P38-Y40 WeakPolarHBondContact O-CD2 3.28Å; P38-Y40 PolarHBondContact O-N 3.35Å
39K42.8Very low49.5Very low204 Ų204148.7 Ų148.789%0.88773%0.725SS**  trans-68.188-172.3-66158.2-178.5164.10113.9R41K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3.31Å
40Y46.8Very low50.5Low114 Ų114149 Ų14945%0.44773%0.733SS.*  trans-76.758.7175.5-92.1-112.4000114.7P38 G42 R43P38-Y40 HydrophobicContact CG-CD2 4.43Å; P38-Y40 HydrophobicContact CG-CE2 4.14Å; P38-Y40 WeakPolarHBondContact O-CD2 3.28Å; P38-Y40 PolarHBondContact O-N 3.35Å; Y40-G42 PolarHBondContact O-N 2.87Å; Y40-G42 VanDerWaalsContact O-N 3.15Å; Y40-R43 HydrophobicContact CD1-CB 4.27Å; Y40-R43 PolarHBondContact OH-NH2 2.92Å
41R40.7Very low51.5Low251 Ų251145.3 Ų145.395%0.94772%0.718SS**  trans-76.898.3168.7-70.3-169.1-177.8-168.22110.9K39K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3.31Å
42G50.4Low53.1Low77 Ų77136.7 Ų136.779%0.79469%0.687SS**SBendtrans123.8-4.5159.700000118Y40Y40-G42 PolarHBondContact O-N 2.87Å; Y40-G42 VanDerWaalsContact O-N 3.15Å
43R41.5Very low55.3Low168 Ų168136.1 Ų136.163%0.63468%0.676SS**  trans-85.2120.2166.4-70.7-160.5-85.8-104.512.7109.3Y40 W45Y40-R43 HydrophobicContact CD1-CB 4.27Å; Y40-R43 PolarHBondContact OH-NH2 2.92Å; R43-W45 PolarHBondContact O-N 3.44Å; R43-W45 VanDerWaalsContact O-N 3.1Å
44R59.7Low57.6Low230 Ų230132.9 Ų132.987%0.86866%0.661SS**  trans-61.1112.1167.4174.4-175.5-70.9-134.6-1.7106.7T46R44-T46 PolarHBondContact O-N 3.17Å
45W48.3Very low59.6Low197 Ų197129 Ų12975%0.74665%0.645SS**  trans-56.3110.8173-70.278.3000108.6R43 T47R43-W45 PolarHBondContact O-N 3.44Å; R43-W45 VanDerWaalsContact O-N 3.1Å; W45-T47 PolarHBondContact O-N 2.91Å
46T65.8Low61.8Low120 Ų120126.6 Ų126.674%0.73662%0.62SS**  trans-74.8114.8166.341.50000106.5R44 P48R44-T46 PolarHBondContact O-N 3.17Å; T46-P48 VanDerWaalsContact O-CD 3.27Å; T46-P48 WeakPolarHBondContact O-CD 3.29Å; T46-P48 VanDerWaalsContact O-N 3.08Å
47T69.3Low64Low45 Ų45123.9 Ų123.928%0.27660%0.597SS.*  trans-49.8117.4169.2-53.10000108.3W45 G51 K52 Y56W45-T47 PolarHBondContact O-N 2.91Å; T47-G51 WeakPolarHBondContact CG2-O 3.45Å; T47-K52 HydrophobicContact CG2-CG 3.83Å; T47-K52 VanDerWaalsContact O-CE 3.28Å; T47-K52 WeakPolarHBondContact O-CE 3.34Å; T47-Y56 HydrophobicContact CG2-CD2 4.15Å; T47-Y56 HydrophobicContact CG2-CE2 4.24Å; T47-Y56 WeakPolarHBondContact OG1-CE2 3.35Å
48P69.7Low65.9Low83 Ų83119 Ų11954%0.53957%0.574SS.*  trans-56.4150.8176.5-24.835.7000110.2T46 N50 G51T46-P48 VanDerWaalsContact O-CD 3.27Å; T46-P48 WeakPolarHBondContact O-CD 3.29Å; T46-P48 VanDerWaalsContact O-N 3.08Å; P48-N50 WeakPolarHBondContact CB-OD1 3.39Å; P48-N50 PolarHBondContact O-N 3.14Å; P48-G51 PolarHBondContact O-N 2.79Å
49D65.1Low67.8Low133 Ų133120.3 Ų120.371%0.71157%0.57SS**G310 helixtrans-61.2-29.4-173.5-77.5-52.3000113.3G51 K52D49-G51 PolarHBondContact O-N 3.33Å; D49-K52 VanDerWaalsContact OD1-CE 3.3Å; D49-K52 WeakPolarHBondContact OD1-CE 3.34Å; D49-K52 IonicContact OD1-NZ 3.65Å; D49-K52 PolarHBondContact OD1-NZ 3.45Å
50N67.7Low70.1Confident157 Ų157115.3 Ų115.384%0.8455%0.546SS*.G310 helixtrans-72.5-9.1173.668.1-1.8000114.7P48P48-N50 WeakPolarHBondContact CB-OD1 3.39Å; P48-N50 PolarHBondContact O-N 3.14Å
51G68.1Low72.2Confident37 Ų37116.3 Ų116.338%0.38155%0.549SS..G310 helixtrans-112.412.6-178.700000114.3T47 P48 D49 D53T47-G51 WeakPolarHBondContact CG2-O 3.45Å; P48-G51 PolarHBondContact O-N 2.79Å; D49-G51 PolarHBondContact O-N 3.33Å; G51-D53 PolarHBondContact O-N 2.95Å
52K78.5Confident74.6Confident57 Ų57111.4 Ų111.425%0.24853%0.53CS..  trans-89.877.1178.3-65.9179.4-176.8168.60110.8T47 D49 Y56 W57T47-K52 HydrophobicContact CG2-CG 3.83Å; T47-K52 VanDerWaalsContact O-CE 3.28Å; T47-K52 WeakPolarHBondContact O-CE 3.34Å; D49-K52 VanDerWaalsContact OD1-CE 3.3Å; D49-K52 WeakPolarHBondContact OD1-CE 3.34Å; D49-K52 IonicContact OD1-NZ 3.65Å; D49-K52 PolarHBondContact OD1-NZ 3.45Å; K52-Y56 HydrophobicContact CB-CD1 3.91Å; K52-Y56 HydrophobicContact CB-CE1 4.33Å; K52-Y56 HydrophobicContact CD-CD1 4.38Å; K52-Y56 HydrophobicContact CD-CE1 3.95Å; K52-Y56 HydrophobicContact CG-CD1 3.85Å; K52-Y56 HydrophobicContact CG-CE1 3.82Å; K52-Y56 HydrophobicContact CG-CG 4.46Å; K52-W57 HydrophobicContact CB-CZ2 4.08Å; K52-W57 HydrophobicContact CD-CH2 4.11Å; K52-W57 HydrophobicContact CD-CZ2 3.66Å; K52-W57 HydrophobicContact CG-CZ2 4.46Å; K52-W57 PolarHBondContact O-NE1 3.32Å
53D87.6Confident76.6Confident84 Ų84112.5 Ų112.545%0.44952%0.518SS..  trans-65164.317364.8-17.5000112.9G51 H55 Y56 W57G51-D53 PolarHBondContact O-N 2.95Å; D53-H55 PolarHBondContact O-N 3.2Å; D53-H55 IonicContact OD2-ND1 2.69Å; D53-Y56 WeakPolarHBondContact O-CB 3.4Å; D53-Y56 PolarHBondContact O-N 2.9Å; D53-Y56 WeakPolarHBondContact OD1-CA 3.31Å; D53-Y56 WeakPolarHBondContact OD1-CB 3.24Å; D53-Y56 PolarHBondContact OD1-N 3.42Å; D53-W57 VanDerWaalsContact O-CD1 3.25Å; D53-W57 PolarHBondContact O-N 2.84Å; D53-W57 VanDerWaalsContact O-N 3.09Å
54E87Confident79Confident118 Ų118108.4 Ų108.455%0.55151%0.508SS*.Hα-helixtrans-58.4-32.4176.5-178.956-150.800111.4W57 E58 R61E54-W57 PolarHBondContact O-N 3.38Å; E54-E58 WeakPolarHBondContact O-CB 3.19Å; E54-E58 PolarHBondContact O-N 3.45Å; E54-R61 IonicContact OE1-CZ 3.99Å; E54-R61 IonicContact OE1-NH1 3.48Å; E54-R61 IonicContact OE1-NH2 2.73Å; E54-R61 PolarHBondContact OE1-NH2 3.44Å
55H84.8Confident80.4Confident110 Ų110102 Ų10251%0.50949%0.488SS..Hα-helixtrans-68.5-34.1175.9162.5-116.1000113.1D53 K59D53-H55 PolarHBondContact O-N 3.2Å; D53-H55 IonicContact OD2-ND1 2.69Å; H55-K59 PolarHBondContact CE1-NZ 3.11Å; H55-K59 VanDerWaalsContact CE1-NZ 3.29Å; H55-K59 PolarHBondContact NE2-NZ 2.85Å; H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.17Å
56Y86.6Confident82.3Confident61 Ų6195 Ų9524%0.23947%0.472CS..Hα-helixtrans-61.6-47.5166.2171.5-90000111.1T47 K52 D53 K59 R60T47-Y56 HydrophobicContact CG2-CD2 4.15Å; T47-Y56 HydrophobicContact CG2-CE2 4.24Å; T47-Y56 WeakPolarHBondContact OG1-CE2 3.35Å; K52-Y56 HydrophobicContact CB-CD1 3.91Å; K52-Y56 HydrophobicContact CB-CE1 4.33Å; K52-Y56 HydrophobicContact CD-CD1 4.38Å; K52-Y56 HydrophobicContact CD-CE1 3.95Å; K52-Y56 HydrophobicContact CG-CD1 3.85Å; K52-Y56 HydrophobicContact CG-CE1 3.82Å; K52-Y56 HydrophobicContact CG-CG 4.46Å; D53-Y56 WeakPolarHBondContact O-CB 3.4Å; D53-Y56 PolarHBondContact O-N 2.9Å; D53-Y56 WeakPolarHBondContact OD1-CA 3.31Å; D53-Y56 WeakPolarHBondContact OD1-CB 3.24Å; D53-Y56 PolarHBondContact OD1-N 3.42Å; Y56-K59 PolarHBondContact O-N 2.88Å; Y56-R60 VanDerWaalsContact O-CB 3.3Å; Y56-R60 WeakPolarHBondContact O-CB 3.45Å; Y56-R60 PolarHBondContact O-N 3.33Å
57W87.1Confident83.5Confident116 Ų11691 Ų9144%0.43945%0.452SS..Hα-helixtrans-63.1-43.8-179.4-72117000112.4K52 D53 E54 R60 R61K52-W57 HydrophobicContact CB-CZ2 4.08Å; K52-W57 HydrophobicContact CD-CH2 4.11Å; K52-W57 HydrophobicContact CD-CZ2 3.66Å; K52-W57 HydrophobicContact CG-CZ2 4.46Å; K52-W57 PolarHBondContact O-NE1 3.32Å; D53-W57 VanDerWaalsContact O-CD1 3.25Å; D53-W57 PolarHBondContact O-N 2.84Å; D53-W57 VanDerWaalsContact O-N 3.09Å; E54-W57 PolarHBondContact O-N 3.38Å; W57-R60 CarbonylContact O-C 3.57Å; W57-R60 WeakPolarHBondContact O-CB 3.22Å; W57-R60 PolarHBondContact O-N 2.88Å; W57-R61 VanDerWaalsContact O-CB 3.31Å; W57-R61 WeakPolarHBondContact O-CB 3.38Å; W57-R61 PolarHBondContact O-N 3.39Å
58E90.1Very high84.6Confident45 Ų4596.2 Ų96.221%0.2147%0.471CS..Hα-helixtrans-66.3-38.9176.3177.558.4-172.500112E54 R60 R61 R62E54-E58 WeakPolarHBondContact O-CB 3.19Å; E54-E58 PolarHBondContact O-N 3.45Å; E58-R60 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 2.74Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.24Å; E58-R61 WeakPolarHBondContact OE2-CD 3.3Å; E58-R61 IonicContact OE2-CZ 3.76Å; E58-R61 IonicContact OE2-NE 2.71Å; E58-R61 IonicContact OE2-NH1 3.38Å; E58-R61 PolarHBondContact OE2-NH1 2.61Å; E58-R62 WeakPolarHBondContact O-CB 3.45Å; E58-R62 WeakPolarHBondContact O-CG 3.32Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 3.42Å; E58-R62 IonicContact OE1-NE 2.67Å; E58-R62 PolarHBondContact OE1-NE 3.2Å; E58-R62 IonicContact OE1-NH2 3.34Å; E58-R62 PolarHBondContact OE1-NH2 3.43Å
59K85.6Confident85.3Confident120 Ų12098.5 Ų98.552%0.52247%0.468SS..Hα-helixtrans-63.2-38.7171.7-172.9179.6-64.4166.50111.8H55 Y56 N63H55-K59 PolarHBondContact CE1-NZ 3.11Å; H55-K59 VanDerWaalsContact CE1-NZ 3.29Å; H55-K59 PolarHBondContact NE2-NZ 2.85Å; H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.17Å; Y56-K59 PolarHBondContact O-N 2.88Å; K59-N63 WeakPolarHBondContact O-CB 3.34Å; K59-N63 PolarHBondContact O-N 2.97Å
60R91.1Very high86.5Confident98 Ų9894.8 Ų94.837%0.3745%0.453SS..Hα-helixtrans-67-40.4175.5-171.975.4-166.480.99.7111.4Y56 W57 E58 N63 N64Y56-R60 VanDerWaalsContact O-CB 3.3Å; Y56-R60 WeakPolarHBondContact O-CB 3.45Å; Y56-R60 PolarHBondContact O-N 3.33Å; W57-R60 CarbonylContact O-C 3.57Å; W57-R60 WeakPolarHBondContact O-CB 3.22Å; W57-R60 PolarHBondContact O-N 2.88Å; E58-R60 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 2.74Å; R60-N63 PolarHBondContact O-N 2.96Å; R60-N64 VanDerWaalsContact CZ-OD1 3.32Å; R60-N64 PolarHBondContact NH1-OD1 3.38Å; R60-N64 PolarHBondContact NH2-OD1 3.02Å; R60-N64 VanDerWaalsContact NH2-OD1 3.13Å; R60-N64 PolarHBondContact O-N 2.9Å
61R91.4Very high87.5Confident136 Ų13696 Ų9651%0.51345%0.446SS..Hα-helixtrans-60.7-56.3175.4-160.1-178.1-61.8147.3-2.4110.2E54 W57 E58 N63 N64 E65E54-R61 IonicContact OE1-CZ 3.99Å; E54-R61 IonicContact OE1-NH1 3.48Å; E54-R61 IonicContact OE1-NH2 2.73Å; E54-R61 PolarHBondContact OE1-NH2 3.44Å; W57-R61 VanDerWaalsContact O-CB 3.31Å; W57-R61 WeakPolarHBondContact O-CB 3.38Å; W57-R61 PolarHBondContact O-N 3.39Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.24Å; E58-R61 WeakPolarHBondContact OE2-CD 3.3Å; E58-R61 IonicContact OE2-CZ 3.76Å; E58-R61 IonicContact OE2-NE 2.71Å; E58-R61 IonicContact OE2-NH1 3.38Å; E58-R61 PolarHBondContact OE2-NH1 2.61Å; R61-N63 VanDerWaalsContact C-N 3.33Å; R61-N63 PolarHBondContact O-N 3.07Å; R61-N64 PolarHBondContact O-N 2.93Å; R61-E65 WeakPolarHBondContact O-CB 3.45Å; R61-E65 PolarHBondContact O-N 2.88Å
62R90.2Very high88.6Confident148 Ų14897.8 Ų97.856%0.55844%0.444SS*.Hα-helixtrans-57.9-39.2175.1-68.9175.2-169.1157.15.3113.1E58 E65 A66E58-R62 WeakPolarHBondContact O-CB 3.45Å; E58-R62 WeakPolarHBondContact O-CG 3.32Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 3.42Å; E58-R62 IonicContact OE1-NE 2.67Å; E58-R62 PolarHBondContact OE1-NE 3.2Å; E58-R62 IonicContact OE1-NH2 3.34Å; E58-R62 PolarHBondContact OE1-NH2 3.43Å; R62-E65 PolarHBondContact O-N 3.35Å; R62-A66 VanDerWaalsContact O-CB 3.25Å; R62-A66 WeakPolarHBondContact O-CB 3.41Å; R62-A66 PolarHBondContact O-N 2.93Å
63N93.4Very high89.2Confident99 Ų99103.7 Ų103.753%0.52947%0.465SS..Hα-helixtrans-69.4-39.7177.4-176.9-106.1000112.9K59 R60 R61 E65 A67K59-N63 WeakPolarHBondContact O-CB 3.34Å; K59-N63 PolarHBondContact O-N 2.97Å; R60-N63 PolarHBondContact O-N 2.96Å; R61-N63 VanDerWaalsContact C-N 3.33Å; R61-N63 PolarHBondContact O-N 3.07Å; N63-E65 VanDerWaalsContact C-N 3.35Å; N63-A67 VanDerWaalsContact O-CB 3.25Å; N63-A67 WeakPolarHBondContact O-CB 3.41Å; N63-A67 PolarHBondContact O-N 3.16Å
64N91.9Very high89.2Confident82 Ų82105 Ų10544%0.43946%0.464SS..Hα-helixtrans-62.2-43.4172.1-83.2-21.4000111.4R60 R61 A67 K68R60-N64 VanDerWaalsContact CZ-OD1 3.32Å; R60-N64 PolarHBondContact NH1-OD1 3.38Å; R60-N64 PolarHBondContact NH2-OD1 3.02Å; R60-N64 VanDerWaalsContact NH2-OD1 3.13Å; R60-N64 PolarHBondContact O-N 2.9Å; R61-N64 PolarHBondContact O-N 2.93Å; N64-A67 PolarHBondContact O-N 2.94Å; N64-K68 PolarHBondContact O-N 3.43Å
65E88.8Confident89.4Confident95 Ų95107 Ų10744%0.44447%0.466SS..Hα-helixtrans-65.6-45179.1-162.8-158.1-161.200111.7R61 R62 N63 A67 K68 R69R61-E65 WeakPolarHBondContact O-CB 3.45Å; R61-E65 PolarHBondContact O-N 2.88Å; R62-E65 PolarHBondContact O-N 3.35Å; N63-E65 VanDerWaalsContact C-N 3.35Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.38Å; E65-K68 PolarHBondContact O-N 2.87Å; E65-R69 VanDerWaalsContact CD-CZ 3.42Å; E65-R69 PolarHBondContact O-N 3.08Å; E65-R69 IonicContact OE1-CZ 3.03Å; E65-R69 IonicContact OE1-NH1 3.09Å; E65-R69 PolarHBondContact OE1-NH1 2.92Å; E65-R69 IonicContact OE1-NH2 2.71Å; E65-R69 PolarHBondContact OE1-NH2 2.94Å; E65-R69 IonicContact OE2-CZ 2.66Å; E65-R69 IonicContact OE2-NH1 3.62Å; E65-R69 PolarHBondContact OE2-NH1 3.41Å; E65-R69 IonicContact OE2-NH2 3.54Å; E65-R69 PolarHBondContact OE2-NH2 3.01Å
66A88.2Confident89.4Confident50 Ų50106.5 Ų106.541%0.41347%0.467SS..Hα-helixtrans-62.1-37.3172.600000112.3R62 S70R62-A66 VanDerWaalsContact O-CB 3.25Å; R62-A66 WeakPolarHBondContact O-CB 3.41Å; R62-A66 PolarHBondContact O-N 2.93Å; A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.49Å; A66-S70 PolarHBondContact O-N 3.31Å
67A92.2Very high89.6Confident37 Ų37108 Ų10831%0.30648%0.479SS..Hα-helixtrans-67.3-38.4173.600000112.1N63 N64 E65 S70 R71N63-A67 VanDerWaalsContact O-CB 3.25Å; N63-A67 WeakPolarHBondContact O-CB 3.41Å; N63-A67 PolarHBondContact O-N 3.16Å; N64-A67 PolarHBondContact O-N 2.94Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.38Å; A67-S70 PolarHBondContact O-N 3.4Å; A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.96Å
68K91.5Very high89.7Confident154 Ų154104.4 Ų104.467%0.6747%0.468SS*.Hα-helixtrans-62.3-52.4172.3-169.2178.9179.8-176.90110.2N64 E65 S70 R71 E72N64-K68 PolarHBondContact O-N 3.43Å; E65-K68 PolarHBondContact O-N 2.87Å; K68-S70 VanDerWaalsContact C-N 3.29Å; K68-S70 PolarHBondContact O-N 3.16Å; K68-R71 WeakPolarHBondContact O-CB 3.31Å; K68-R71 PolarHBondContact O-N 2.96Å; K68-R71 VanDerWaalsContact O-N 3.08Å; K68-E72 PolarHBondContact O-N 3.29Å
69R84.8Confident89.4Confident131 Ų131106.5 Ų106.549%0.49448%0.479SS..Hα-helixtrans-57.1-37.7175.1-69.3-169.1-174.396.72.5113.2E65 E72 R73E65-R69 VanDerWaalsContact CD-CZ 3.42Å; E65-R69 PolarHBondContact O-N 3.08Å; E65-R69 IonicContact OE1-CZ 3.03Å; E65-R69 IonicContact OE1-NH1 3.09Å; E65-R69 PolarHBondContact OE1-NH1 2.92Å; E65-R69 IonicContact OE1-NH2 2.71Å; E65-R69 PolarHBondContact OE1-NH2 2.94Å; E65-R69 IonicContact OE2-CZ 2.66Å; E65-R69 IonicContact OE2-NH1 3.62Å; E65-R69 PolarHBondContact OE2-NH1 3.41Å; E65-R69 IonicContact OE2-NH2 3.54Å; E65-R69 PolarHBondContact OE2-NH2 3.01Å; R69-E72 PolarHBondContact O-N 2.91Å; R69-R73 VanDerWaalsContact O-CB 3.3Å; R69-R73 WeakPolarHBondContact O-CB 3.5Å; R69-R73 PolarHBondContact O-N 3.49Å
70S90.1Very high89.4Confident56 Ų56103.5 Ų103.539%0.39248%0.477SS..Hα-helixtrans-73.6-26.5177.6-177.30000113.6A66 A67 K68 R74A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.49Å; A66-S70 PolarHBondContact O-N 3.31Å; A67-S70 PolarHBondContact O-N 3.4Å; K68-S70 VanDerWaalsContact C-N 3.29Å; K68-S70 PolarHBondContact O-N 3.16Å; S70-R74 PolarHBondContact O-NH1 3.43Å
71R88.4Confident89.1Confident183 Ų183101.3 Ų101.369%0.69148%0.475SS*.Hα-helixtrans-73-48.6168.9-73.7171.6-179.8-174.3-0.7110.1A67 K68 R74 R75A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.96Å; K68-R71 WeakPolarHBondContact O-CB 3.31Å; K68-R71 PolarHBondContact O-N 2.96Å; K68-R71 VanDerWaalsContact O-N 3.08Å; R71-R74 WeakPolarHBondContact O-CB 3.41Å; R71-R74 PolarHBondContact O-N 2.86Å; R71-R74 VanDerWaalsContact O-N 3.11Å; R71-R75 PolarHBondContact O-N 3.2Å
72E90.8Very high88.8Confident74 Ų74100 Ų10035%0.34647%0.474SS..Hα-helixtrans-63.7-46.5-177.6-152.656.7-121.600112.5K68 R69 R74 R75 L76K68-E72 PolarHBondContact O-N 3.29Å; R69-E72 PolarHBondContact O-N 2.91Å; E72-R74 PolarHBondContact O-N 2.88Å; E72-R74 VanDerWaalsContact O-N 3.15Å; E72-R75 WeakPolarHBondContact O-CB 3.38Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-R75 VanDerWaalsContact O-N 3.08Å; E72-R75 WeakPolarHBondContact OE1-CD 3.06Å; E72-R75 IonicContact OE1-NH1 3.1Å; E72-L76 HydrophobicContact CG-CD1 4.37Å; E72-L76 WeakPolarHBondContact O-CG 3.22Å; E72-L76 PolarHBondContact O-N 3.07Å
73R91.1Very high88.6Confident180 Ų18095.5 Ų95.568%0.67947%0.469SS*.Hα-helixtrans-57.8-32.1174.8-176.4175.5-64128.72.1112.9R69 N77R69-R73 VanDerWaalsContact O-CB 3.3Å; R69-R73 WeakPolarHBondContact O-CB 3.5Å; R69-R73 PolarHBondContact O-N 3.49Å; R73-N77 VanDerWaalsContact O-CB 3.23Å; R73-N77 WeakPolarHBondContact O-CB 3.4Å; R73-N77 PolarHBondContact O-N 3.38Å; R73-N77 VanDerWaalsContact O-N 3.1Å
74R89.2Confident88.4Confident113 Ų11394.6 Ų94.643%0.42646%0.46SS..Hα-helixtrans-73.7-46.1175.4-173.4-177.1-57.483.712.5110.9S70 R71 E72 L76 N77 D78S70-R74 PolarHBondContact O-NH1 3.43Å; R71-R74 WeakPolarHBondContact O-CB 3.41Å; R71-R74 PolarHBondContact O-N 2.86Å; R71-R74 VanDerWaalsContact O-N 3.11Å; E72-R74 PolarHBondContact O-N 2.88Å; E72-R74 VanDerWaalsContact O-N 3.15Å; R74-L76 PolarHBondContact O-N 3.31Å; R74-N77 PolarHBondContact O-N 3.49Å; R74-N77 VanDerWaalsContact O-N 3.15Å; R74-D78 WeakPolarHBondContact CG-OD2 3.48Å; R74-D78 PolarHBondContact O-N 2.91Å
75R89.9Confident88.2Confident158 Ų15895.1 Ų95.160%0.59646%0.463SS*.Hα-helixtrans-55.6-51175.7-171.7-173.6-177-170.4-1.3111.3R71 E72 N77 D78 M79R71-R75 PolarHBondContact O-N 3.2Å; E72-R75 WeakPolarHBondContact O-CB 3.38Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-R75 VanDerWaalsContact O-N 3.08Å; E72-R75 WeakPolarHBondContact OE1-CD 3.06Å; E72-R75 IonicContact OE1-NH1 3.1Å; R75-N77 VanDerWaalsContact C-N 3.31Å; R75-N77 PolarHBondContact O-N 2.81Å; R75-D78 PolarHBondContact O-N 3.13Å; R75-M79 HydrophobicContact CG-SD 4.11Å; R75-M79 WeakPolarHBondContact O-CB 3.3Å; R75-M79 WeakPolarHBondContact O-CG 3.42Å; R75-M79 PolarHBondContact O-N 3.07Å
76L85.9Confident88.1Confident101 Ų10194 Ų9453%0.52946%0.46SS..Hα-helixtrans-61.6-36.6176.7-67.2173.2000112.7E72 R74 A80E72-L76 HydrophobicContact CG-CD1 4.37Å; E72-L76 WeakPolarHBondContact O-CG 3.22Å; E72-L76 PolarHBondContact O-N 3.07Å; R74-L76 PolarHBondContact O-N 3.31Å; L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.5Å; L76-A80 PolarHBondContact O-N 3.25Å
77N89.7Confident88.2Confident92 Ų9296.1 Ų96.149%0.49246%0.461SS..Hα-helixtrans-71.1-43.1176.5178.8-127.4000112.4R73 R74 R75 A80 T81R73-N77 VanDerWaalsContact O-CB 3.23Å; R73-N77 WeakPolarHBondContact O-CB 3.4Å; R73-N77 PolarHBondContact O-N 3.38Å; R73-N77 VanDerWaalsContact O-N 3.1Å; R74-N77 PolarHBondContact O-N 3.49Å; R74-N77 VanDerWaalsContact O-N 3.15Å; R75-N77 VanDerWaalsContact C-N 3.31Å; R75-N77 PolarHBondContact O-N 2.81Å; N77-A80 PolarHBondContact O-N 2.94Å; N77-T81 WeakPolarHBondContact O-CG2 3.26Å; N77-T81 PolarHBondContact O-N 3.5Å; N77-T81 PolarHBondContact O-OG1 3.34Å
78D88.9Confident88.2Confident40 Ų4097.7 Ų97.721%0.21446%0.464CS..Hα-helixtrans-62.8-46.6175.7-72.4-47.7000110.1R74 R75 A80 T81 E82 R375R74-D78 WeakPolarHBondContact CG-OD2 3.48Å; R74-D78 PolarHBondContact O-N 2.91Å; R75-D78 PolarHBondContact O-N 3.13Å; D78-A80 PolarHBondContact O-N 2.72Å; D78-T81 WeakPolarHBondContact CA-OG1 3.41Å; D78-T81 PolarHBondContact O-N 3.16Å; D78-T81 VanDerWaalsContact O-N 3.11Å; D78-T81 PolarHBondContact O-OG1 2.73Å; D78-E82 WeakPolarHBondContact O-CG 3.34Å; D78-E82 PolarHBondContact O-N 3.23Å; D78-R375 IonicContact OD1-CZ 3.02Å; D78-R375 IonicContact OD1-NH1 2.69Å; D78-R375 PolarHBondContact OD1-NH1 2.86Å; D78-R375 IonicContact OD1-NH2 2.73Å; D78-R375 PolarHBondContact OD1-NH2 2.88Å
79M84Confident88.2Confident89 Ų8993.1 Ų93.144%0.43845%0.451SS..Hα-helixtrans-57.5-44172.9-72.6175.668.600113.1R75 T81 E82 A83R75-M79 HydrophobicContact CG-SD 4.11Å; R75-M79 WeakPolarHBondContact O-CB 3.3Å; R75-M79 WeakPolarHBondContact O-CG 3.42Å; R75-M79 PolarHBondContact O-N 3.07Å; M79-T81 VanDerWaalsContact C-N 3.31Å; M79-T81 PolarHBondContact O-N 3.3Å; M79-E82 PolarHBondContact O-N 3.16Å; M79-A83 WeakPolarHBondContact O-CB 3.41Å; M79-A83 PolarHBondContact O-N 2.91Å
80A85.8Confident88.5Confident58 Ų5892.9 Ų92.948%0.47946%0.456SS..Hα-helixtrans-65.9-33.717700000112.4L76 N77 D78 K84L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.5Å; L76-A80 PolarHBondContact O-N 3.25Å; N77-A80 PolarHBondContact O-N 2.94Å; D78-A80 PolarHBondContact O-N 2.72Å; A80-K84 PolarHBondContact O-N 3.02Å; A80-K84 VanDerWaalsContact O-N 3.12Å
81T85Confident88.7Confident52 Ų5294 Ų9432%0.31945%0.454SS..Hα-helixtrans-72-33.1172.457.30000112.9N77 D78 M79 L85N77-T81 WeakPolarHBondContact O-CG2 3.26Å; N77-T81 PolarHBondContact O-N 3.5Å; N77-T81 PolarHBondContact O-OG1 3.34Å; D78-T81 WeakPolarHBondContact CA-OG1 3.41Å; D78-T81 PolarHBondContact O-N 3.16Å; D78-T81 VanDerWaalsContact O-N 3.11Å; D78-T81 PolarHBondContact O-OG1 2.73Å; M79-T81 VanDerWaalsContact C-N 3.31Å; M79-T81 PolarHBondContact O-N 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.46Å; T81-L85 WeakPolarHBondContact O-CD1 3.35Å; T81-L85 WeakPolarHBondContact O-CG 3.14Å; T81-L85 PolarHBondContact O-N 2.75Å; T81-L85 VanDerWaalsContact O-N 3.09Å
82E86.2Confident88.9Confident107 Ų10788.1 Ų88.150%0.544%0.437SS..Hα-helixtrans-67.5-47.4173.9-73.5163.1-17500110.5D78 M79 K84 L85 L86D78-E82 WeakPolarHBondContact O-CG 3.34Å; D78-E82 PolarHBondContact O-N 3.23Å; M79-E82 PolarHBondContact O-N 3.16Å; E82-K84 PolarHBondContact O-N 3.31Å; E82-L85 WeakPolarHBondContact O-CB 3.42Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.08Å; E82-L86 WeakPolarHBondContact O-CG 3.47Å; E82-L86 PolarHBondContact O-N 3.21Å
83A85.7Confident89Confident55 Ų5587.7 Ų87.746%0.45544%0.441SS..Hα-helixtrans-56.8-47.3175.100000112.7M79 L85 L86 E87M79-A83 WeakPolarHBondContact O-CB 3.41Å; M79-A83 PolarHBondContact O-N 2.91Å; A83-L85 VanDerWaalsContact C-N 3.28Å; A83-L85 PolarHBondContact O-N 3.41Å; A83-L86 WeakPolarHBondContact O-CB 3.48Å; A83-L86 PolarHBondContact O-N 3.46Å; A83-E87 PolarHBondContact O-N 2.89Å
84K89Confident89.2Confident80 Ų8084.2 Ų84.235%0.34844%0.436SS..Hα-helixtrans-69.2-25.5177.2-170.953.1179.7164.80112.9A80 E82 E87 L88 E91A80-K84 PolarHBondContact O-N 3.02Å; A80-K84 VanDerWaalsContact O-N 3.12Å; E82-K84 PolarHBondContact O-N 3.31Å; K84-E87 HydrophobicContact CD-CB 4.29Å; K84-E87 HydrophobicContact CD-CG 4.46Å; K84-E87 WeakPolarHBondContact CD-OE2 3.44Å; K84-E87 IonicContact NZ-OE1 3.19Å; K84-E87 PolarHBondContact NZ-OE1 2.99Å; K84-E87 IonicContact NZ-OE2 3.53Å; K84-E87 PolarHBondContact NZ-OE2 2.94Å; K84-L88 HydrophobicContact CD-CD1 4.31Å; K84-L88 HydrophobicContact CD-CG 4.02Å; K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 HydrophobicContact CG-CG 4.24Å; K84-L88 VanDerWaalsContact O-CB 3.27Å; K84-L88 WeakPolarHBondContact O-CB 3.28Å; K84-L88 WeakPolarHBondContact O-CD1 3.32Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.45Å; K84-E91 IonicContact NZ-OE1 2.68Å; K84-E91 PolarHBondContact NZ-OE1 3.49Å
85L86.8Confident89.4Confident93 Ų9383 Ų8349%0.48744%0.437SS..Hα-helixtrans-70.5-36.1171.8-77.5167.8000112T81 E82 A83 S89T81-L85 WeakPolarHBondContact O-CB 3.46Å; T81-L85 WeakPolarHBondContact O-CD1 3.35Å; T81-L85 WeakPolarHBondContact O-CG 3.14Å; T81-L85 PolarHBondContact O-N 2.75Å; T81-L85 VanDerWaalsContact O-N 3.09Å; E82-L85 WeakPolarHBondContact O-CB 3.42Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.08Å; A83-L85 VanDerWaalsContact C-N 3.28Å; A83-L85 PolarHBondContact O-N 3.41Å; L85-S89 VanDerWaalsContact O-CB 3.32Å; L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 3.01Å; L85-S89 PolarHBondContact O-OG 3.22Å
86L88Confident89.5Confident72 Ų7281.6 Ų81.638%0.37744%0.435SS..Hα-helixtrans-65.7-54.9173.8-66.3174000111E82 A83 L88 S89 E90 F231E82-L86 WeakPolarHBondContact O-CG 3.47Å; E82-L86 PolarHBondContact O-N 3.21Å; A83-L86 WeakPolarHBondContact O-CB 3.48Å; A83-L86 PolarHBondContact O-N 3.46Å; L86-L88 PolarHBondContact O-N 3.24Å; L86-S89 CarbonylContact O-C 3.55Å; L86-S89 WeakPolarHBondContact O-CA 3.35Å; L86-S89 WeakPolarHBondContact O-CB 3.26Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 2.98Å; L86-E90 PolarHBondContact O-N 3.41Å; L86-F231 HydrophobicContact CD2-CD2 4.31Å; L86-F231 HydrophobicContact CD2-CE1 4.37Å; L86-F231 HydrophobicContact CD2-CE2 3.32Å; L86-F231 HydrophobicContact CD2-CZ 3.36Å
87E89.7Confident89.8Confident94 Ų9480.7 Ų80.744%0.43943%0.431SS..Hα-helixtrans-52.4-50177.2-171.9-166.3157.500111.5A83 K84 S89 E90 E91A83-E87 PolarHBondContact O-N 2.89Å; K84-E87 HydrophobicContact CD-CB 4.29Å; K84-E87 HydrophobicContact CD-CG 4.46Å; K84-E87 WeakPolarHBondContact CD-OE2 3.44Å; K84-E87 IonicContact NZ-OE1 3.19Å; K84-E87 PolarHBondContact NZ-OE1 2.99Å; K84-E87 IonicContact NZ-OE2 3.53Å; K84-E87 PolarHBondContact NZ-OE2 2.94Å; E87-S89 VanDerWaalsContact C-N 3.26Å; E87-S89 PolarHBondContact O-N 3.15Å; E87-E90 PolarHBondContact O-N 2.98Å; E87-E91 WeakPolarHBondContact O-CG 3.27Å; E87-E91 PolarHBondContact O-N 2.82Å
88L90.9Very high89.9Confident70 Ų7081.1 Ų81.137%0.36643%0.43SS..Hα-helixtrans-64.8-26.4175.8-72.4172.3000113.4K84 L86 N92K84-L88 HydrophobicContact CD-CD1 4.31Å; K84-L88 HydrophobicContact CD-CG 4.02Å; K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 HydrophobicContact CG-CG 4.24Å; K84-L88 VanDerWaalsContact O-CB 3.27Å; K84-L88 WeakPolarHBondContact O-CB 3.28Å; K84-L88 WeakPolarHBondContact O-CD1 3.32Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.45Å; L86-L88 PolarHBondContact O-N 3.24Å; L88-N92 WeakPolarHBondContact O-CB 3.21Å; L88-N92 PolarHBondContact O-N 3.23Å; L88-N92 VanDerWaalsContact O-N 3.08Å
89S91.6Very high89.9Confident58 Ų5882.3 Ų82.341%0.40644%0.436SS..Hα-helixtrans-77.4-34.3176.276.30000112.4L85 L86 E87 C93L85-S89 VanDerWaalsContact O-CB 3.32Å; L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 3.01Å; L85-S89 PolarHBondContact O-OG 3.22Å; L86-S89 CarbonylContact O-C 3.55Å; L86-S89 WeakPolarHBondContact O-CA 3.35Å; L86-S89 WeakPolarHBondContact O-CB 3.26Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 2.98Å; E87-S89 VanDerWaalsContact C-N 3.26Å; E87-S89 PolarHBondContact O-N 3.15Å; S89-C93 WeakPolarHBondContact O-CB 3.49Å; S89-C93 PolarHBondContact O-N 2.64Å
90E92.7Very high90.1Very high126 Ų12682.5 Ų82.559%0.58944%0.436SS*.Hα-helixtrans-68.9-50.5172.7-69.2173.1-171.700110.7L86 E87 N92 C93 L94L86-E90 PolarHBondContact O-N 3.41Å; E87-E90 PolarHBondContact O-N 2.98Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.31Å; E90-C93 WeakPolarHBondContact O-CA 3.38Å; E90-C93 WeakPolarHBondContact O-CB 3.43Å; E90-C93 PolarHBondContact O-N 3.11Å; E90-L94 WeakPolarHBondContact O-CG 3.09Å; E90-L94 PolarHBondContact O-N 3.28Å
91E94.4Very high90.2Very high78 Ų7882.9 Ų82.936%0.36443%0.433SS..Hα-helixtrans-51.3-46.6171.2-72173.5-141.600111K84 E87 C93 L94 L95K84-E91 IonicContact NZ-OE1 2.68Å; K84-E91 PolarHBondContact NZ-OE1 3.49Å; E87-E91 WeakPolarHBondContact O-CG 3.27Å; E87-E91 PolarHBondContact O-N 2.82Å; E91-C93 VanDerWaalsContact C-N 3.31Å; E91-C93 PolarHBondContact O-N 3.07Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-L95 WeakPolarHBondContact O-CB 3.27Å; E91-L95 VanDerWaalsContact O-CG 3.29Å; E91-L95 WeakPolarHBondContact O-CG 3.38Å; E91-L95 PolarHBondContact O-N 3.29Å
92N92.6Very high90.1Very high60 Ų6086 Ų8632%0.32144%0.442SS..Hα-helixtrans-68.1-29.4179.9-162-96.2000113.1L88 E90 K96L88-N92 WeakPolarHBondContact O-CB 3.21Å; L88-N92 PolarHBondContact O-N 3.23Å; L88-N92 VanDerWaalsContact O-N 3.08Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.31Å; N92-K96 WeakPolarHBondContact O-CB 3.32Å; N92-K96 WeakPolarHBondContact O-CD 3.29Å; N92-K96 VanDerWaalsContact O-CG 3.22Å; N92-K96 WeakPolarHBondContact O-CG 3.38Å; N92-K96 PolarHBondContact O-N 3.08Å; N92-K96 VanDerWaalsContact O-N 3.16Å; N92-K96 WeakPolarHBondContact OD1-CE 3.37Å; N92-K96 PolarHBondContact OD1-NZ 2.92Å
93C93.1Very high90Very high66 Ų6687.9 Ų87.945%0.44644%0.444SS..Hα-helixtrans-70.7-47.5173.5-169.60000111S89 E90 E91 K96 N97S89-C93 WeakPolarHBondContact O-CB 3.49Å; S89-C93 PolarHBondContact O-N 2.64Å; E90-C93 WeakPolarHBondContact O-CA 3.38Å; E90-C93 WeakPolarHBondContact O-CB 3.43Å; E90-C93 PolarHBondContact O-N 3.11Å; E91-C93 VanDerWaalsContact C-N 3.31Å; E91-C93 PolarHBondContact O-N 3.07Å; C93-K96 WeakPolarHBondContact O-CB 3.42Å; C93-K96 PolarHBondContact O-N 2.91Å; C93-N97 VanDerWaalsContact O-CG 3.24Å; C93-N97 PolarHBondContact O-N 3.18Å; C93-N97 PolarHBondContact O-ND2 3.26Å
94L94.8Very high89.8Confident107 Ų10792.3 Ų92.356%0.5645%0.453SS*.Hα-helixtrans-58.7-50.2176.2-66.9174.3000111.4E90 E91 K96 N97 E98E90-L94 WeakPolarHBondContact O-CG 3.09Å; E90-L94 PolarHBondContact O-N 3.28Å; E91-L94 PolarHBondContact O-N 2.87Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 3.23Å; L94-N97 WeakPolarHBondContact O-CB 3.15Å; L94-N97 PolarHBondContact O-N 3.26Å; L94-N97 VanDerWaalsContact O-N 3.08Å; L94-E98 WeakPolarHBondContact O-CG 3.49Å; L94-E98 PolarHBondContact O-N 3.37Å
95L93.6Very high89.5Confident87 Ų8794 Ų9446%0.45547%0.465SS..Hα-helixtrans-61.6-34.2177.6-69.8170.6000113E91 L99E91-L95 WeakPolarHBondContact O-CB 3.27Å; E91-L95 VanDerWaalsContact O-CG 3.29Å; E91-L95 WeakPolarHBondContact O-CG 3.38Å; E91-L95 PolarHBondContact O-N 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.06Å
96K92.2Very high88.7Confident128 Ų12893.8 Ų93.856%0.55746%0.464SS*.Hα-helixtrans-66.8-43.1172.8-82.3167.1176.2155.20111.8N92 C93 L94 L99 E100N92-K96 WeakPolarHBondContact O-CB 3.32Å; N92-K96 WeakPolarHBondContact O-CD 3.29Å; N92-K96 VanDerWaalsContact O-CG 3.22Å; N92-K96 WeakPolarHBondContact O-CG 3.38Å; N92-K96 PolarHBondContact O-N 3.08Å; N92-K96 VanDerWaalsContact O-N 3.16Å; N92-K96 WeakPolarHBondContact OD1-CE 3.37Å; N92-K96 PolarHBondContact OD1-NZ 2.92Å; C93-K96 WeakPolarHBondContact O-CB 3.42Å; C93-K96 PolarHBondContact O-N 2.91Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 3.23Å; K96-L99 PolarHBondContact O-N 2.94Å; K96-E100 WeakPolarHBondContact O-CB 3.49Å; K96-E100 PolarHBondContact O-N 3.25Å
97N91.1Very high87.4Confident83 Ų8396.1 Ų96.144%0.44448%0.484SS..Hα-helixtrans-64.2-44.2177.3-66.1-22.6000110.9C93 L94 E100 T101C93-N97 VanDerWaalsContact O-CG 3.24Å; C93-N97 PolarHBondContact O-N 3.18Å; C93-N97 PolarHBondContact O-ND2 3.26Å; L94-N97 WeakPolarHBondContact O-CB 3.15Å; L94-N97 PolarHBondContact O-N 3.26Å; L94-N97 VanDerWaalsContact O-N 3.08Å; N97-E100 CarbonylContact O-C 3.59Å; N97-E100 PolarHBondContact O-N 2.98Å; N97-E100 VanDerWaalsContact O-N 3.16Å; N97-T101 WeakPolarHBondContact O-CG2 3.44Å; N97-T101 PolarHBondContact O-N 2.86Å
98E91.6Very high86Confident100 Ų100100.9 Ų100.947%0.46750%0.503SS..Hα-helixtrans-59.6-47.3173.6-72.6175.1-168.700112L94 E100 T101 F102L94-E98 WeakPolarHBondContact O-CG 3.49Å; L94-E98 PolarHBondContact O-N 3.37Å; E98-E100 PolarHBondContact O-N 3.49Å; E98-T101 PolarHBondContact O-N 3.08Å; E98-T101 PolarHBondContact O-OG1 3.31Å; E98-F102 HydrophobicContact CB-CE2 4.31Å; E98-F102 WeakPolarHBondContact O-CD2 3.39Å; E98-F102 PolarHBondContact O-N 3.46Å
99L89Confident84.2Confident65 Ų65101.3 Ų101.334%0.3451%0.509SS..Hα-helixtrans-60.7-34.8174.4-75.2171.6000112.3L95 K96 R103L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.06Å; K96-L99 PolarHBondContact O-N 2.94Å; L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 VanDerWaalsContact O-CG 3.22Å; L99-R103 WeakPolarHBondContact O-CG 3.29Å; L99-R103 PolarHBondContact O-N 2.76Å
100E88.3Confident82.4Confident93 Ų93105.2 Ų105.244%0.43553%0.525SS..Hα-helixtrans-71.9-37.5175.5-161.8-177141.800112.5K96 N97 E98 R103 K104K96-E100 WeakPolarHBondContact O-CB 3.49Å; K96-E100 PolarHBondContact O-N 3.25Å; N97-E100 CarbonylContact O-C 3.59Å; N97-E100 PolarHBondContact O-N 2.98Å; N97-E100 VanDerWaalsContact O-N 3.16Å; E98-E100 PolarHBondContact O-N 3.49Å; E100-R103 PolarHBondContact O-N 3.33Å; E100-K104 HydrophobicContact CG-CD 4.5Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 3.08Å; E100-K104 WeakPolarHBondContact OE1-CE 3.33Å; E100-K104 IonicContact OE1-NZ 2.61Å; E100-K104 PolarHBondContact OE1-NZ 3.21Å
101T87Confident80.6Confident67 Ų67106 Ų10641%0.41153%0.528SS..Hα-helixtrans-66.3-43.5172.961.50000111N97 E98 R103 K104 I105N97-T101 WeakPolarHBondContact O-CG2 3.44Å; N97-T101 PolarHBondContact O-N 2.86Å; E98-T101 PolarHBondContact O-N 3.08Å; E98-T101 PolarHBondContact O-OG1 3.31Å; T101-R103 PolarHBondContact O-N 3.12Å; T101-K104 PolarHBondContact O-N 2.95Å; T101-K104 VanDerWaalsContact O-N 3.11Å; T101-I105 WeakPolarHBondContact O-CB 3.34Å; T101-I105 VanDerWaalsContact O-CG1 3.25Å; T101-I105 WeakPolarHBondContact O-CG1 3.16Å; T101-I105 PolarHBondContact O-N 3.25Å
102F84.2Confident78.7Confident116 Ų116108.2 Ų108.251%0.50955%0.548SS..Hα-helixtrans-61.6-40.9174.4-69.5-54.7000112.3E98 K104 I105 L106E98-F102 HydrophobicContact CB-CE2 4.31Å; E98-F102 WeakPolarHBondContact O-CD2 3.39Å; E98-F102 PolarHBondContact O-N 3.46Å; F102-K104 VanDerWaalsContact C-N 3.27Å; F102-K104 PolarHBondContact O-N 3.35Å; F102-I105 PolarHBondContact O-N 3.41Å; F102-L106 VanDerWaalsContact O-CB 3.29Å; F102-L106 WeakPolarHBondContact O-CB 3.22Å; F102-L106 VanDerWaalsContact O-CG 3.28Å; F102-L106 WeakPolarHBondContact O-CG 3.43Å; F102-L106 PolarHBondContact O-N 3.35Å
103R82.8Confident76.7Confident148 Ų148108.8 Ų108.856%0.55856%0.555SS**Hα-helixtrans-63.3-28.1173.4-77.6172.5-176157.45.2114L99 E100 T101L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 VanDerWaalsContact O-CG 3.22Å; L99-R103 WeakPolarHBondContact O-CG 3.29Å; L99-R103 PolarHBondContact O-N 2.76Å; E100-R103 PolarHBondContact O-N 3.33Å; T101-R103 PolarHBondContact O-N 3.12Å
104K83Confident74.7Confident147 Ų147111.7 Ų111.764%0.63957%0.565SS**Hα-helixtrans-82-35.3175.2-72.7167.8-177168.50112.6E100 T101 F102E100-K104 HydrophobicContact CG-CD 4.5Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 3.08Å; E100-K104 WeakPolarHBondContact OE1-CE 3.33Å; E100-K104 IonicContact OE1-NZ 2.61Å; E100-K104 PolarHBondContact OE1-NZ 3.21Å; T101-K104 PolarHBondContact O-N 2.95Å; T101-K104 VanDerWaalsContact O-N 3.11Å; F102-K104 VanDerWaalsContact C-N 3.27Å; F102-K104 PolarHBondContact O-N 3.35Å
105I82.5Confident72.8Confident115 Ų115110.1 Ų110.159%0.5957%0.567SS**Hα-helixtrans-78.8-34.9-178.2-67.5164.3000111.7T101 F102 P107T101-I105 WeakPolarHBondContact O-CB 3.34Å; T101-I105 VanDerWaalsContact O-CG1 3.25Å; T101-I105 WeakPolarHBondContact O-CG1 3.16Å; T101-I105 PolarHBondContact O-N 3.25Å; F102-I105 PolarHBondContact O-N 3.41Å; I105-P107 WeakPolarHBondContact O-CD 3.32Å
106L70.6Confident71Confident89 Ų89110.3 Ų110.347%0.46657%0.572SS.*  trans-87.5104.6-178.1-64.4176.5000111.3F102 F108F102-L106 VanDerWaalsContact O-CB 3.29Å; F102-L106 WeakPolarHBondContact O-CB 3.22Å; F102-L106 VanDerWaalsContact O-CG 3.28Å; F102-L106 WeakPolarHBondContact O-CG 3.43Å; F102-L106 PolarHBondContact O-N 3.35Å; L106-F108 PolarHBondContact O-N 3.33Å
107P60Low69.1Low122 Ų122107.7 Ų107.779%0.79258%0.575SS**THydrogen-bonded Turntrans-77.715.7-166.7-15.833.7000115.5I105I105-P107 WeakPolarHBondContact O-CD 3.32Å
108F59.2Low67.4Low193 Ų193111.1 Ų111.185%0.84659%0.592SS**THydrogen-bonded Turntrans-147.46.4-165.9-121.2-87.9000117.4L106L106-F108 PolarHBondContact O-N 3.33Å
109T54.3Low65.9Low80 Ų80110.9 Ų110.949%0.49160%0.601SS.*  trans-10419.4-179.4520000114.8H111T109-H111 VanDerWaalsContact C-N 3.29Å; T109-H111 PolarHBondContact O-N 3.18Å
110N52.9Low64.2Low139 Ų139111.3 Ų111.374%0.74361%0.614SS**  trans-90.458.3164.4-71.2-39.9000111T112N110-T112 PolarHBondContact O-N 2.82Å
111H55Low62.7Low143 Ų143112.8 Ų112.866%0.66263%0.632SS**  trans-74.4115.3165.756.3-94.7000109.1T109T109-H111 VanDerWaalsContact C-N 3.29Å; T109-H111 PolarHBondContact O-N 3.18Å
112T55.4Low60.9Low125 Ų125114.4 Ų114.477%0.76765%0.652SS**  trans-46.3153.7165.639.60000111.7N110 L114N110-T112 PolarHBondContact O-N 2.82Å; T112-L114 PolarHBondContact O-N 2.91Å
113P50.3Low59.4Low72 Ų72112.8 Ų112.847%0.46866%0.66SS.*  trans-66.4136.2-149.5-20.531.3000113.6A115 T116 A117P113-A115 HydrophobicContact CB-CB 3.88Å; P113-A115 PolarHBondContact O-N 3.32Å; P113-A115 VanDerWaalsContact O-N 3.12Å; P113-T116 WeakPolarHBondContact O-CB 3.35Å; P113-T116 PolarHBondContact O-N 3.28Å; P113-A117 PolarHBondContact O-N 3.44Å
114L51.5Low58Low127 Ų127111.6 Ų111.667%0.66567%0.672SS**Hα-helixtrans-55.1-24.3158.4-99.2164.7000111.7T112 T116 A117 L118T112-L114 PolarHBondContact O-N 2.91Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.93Å; L114-A117 PolarHBondContact O-N 3.36Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.01Å
115A54.3Low56.6Low74 Ų74110.7 Ų110.761%0.61268%0.679SS**Hα-helixtrans-65-24.3170.300000114.2P113 S119P113-A115 HydrophobicContact CB-CB 3.88Å; P113-A115 PolarHBondContact O-N 3.32Å; P113-A115 VanDerWaalsContact O-N 3.12Å; A115-S119 WeakPolarHBondContact O-CB 3.48Å
116T55Low55.1Low90 Ų90111.6 Ų111.655%0.55269%0.689SS**Hα-helixtrans-84.7-36.3175.5-53.40000111.2P113 L114 L118 S119 A120P113-T116 WeakPolarHBondContact O-CB 3.35Å; P113-T116 PolarHBondContact O-N 3.28Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.93Å; T116-L118 PolarHBondContact O-N 3.48Å; T116-S119 PolarHBondContact O-N 2.82Å; T116-A120 PolarHBondContact O-N 3.19Å
117A52.4Low54.2Low74 Ų74113.5 Ų113.561%0.61270%0.704SS**Hα-helixtrans-63-29.8173.300000112.8P113 L114 S119P113-A117 PolarHBondContact O-N 3.44Å; L114-A117 PolarHBondContact O-N 3.36Å; A117-S119 VanDerWaalsContact C-N 3.33Å
118L56.8Low53.8Low155 Ų155118.9 Ų118.981%0.81271%0.709SS**THydrogen-bonded Turntrans-85.81.3173.3-65.7172.5000114.2L114 T116L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.01Å; T116-L118 PolarHBondContact O-N 3.48Å
119S59.5Low52.9Low94 Ų94117.4 Ų117.466%0.65771%0.71SS**THydrogen-bonded Turntrans-115.67.8-178.8-161.30000113.1A115 T116 A117A115-S119 WeakPolarHBondContact O-CB 3.48Å; T116-S119 PolarHBondContact O-N 2.82Å; A117-S119 VanDerWaalsContact C-N 3.33Å
120A52.2Low52.9Low74 Ų74120 Ų12061%0.61273%0.726SS**PPolyproline II helixtrans-69.413217600000110.8T116T116-A120 PolarHBondContact O-N 3.19Å
121P58.5Low52.6Low125 Ų125124.9 Ų124.981%0.81273%0.733SS**PPolyproline II helixtrans-69.4135.8-176.228-34.5000111.5A123P121-A123 PolarHBondContact O-N 2.94Å
122A47.9Very low52.5Low100 Ų100123.9 Ų123.983%0.82674%0.74SS**PPolyproline II helixtrans-66.7120.8-177.700000112.4
123A53.4Low52.2Low82 Ų82125.3 Ų125.368%0.67874%0.742SS**PPolyproline II helixtrans-72.8143.4157.600000109.5P121 T125P121-A123 PolarHBondContact O-N 2.94Å; A123-T125 PolarHBondContact O-N 3.02Å; A123-T125 VanDerWaalsContact O-N 3.12Å
124P54.1Low51.7Low124 Ų124130.4 Ų130.481%0.80576%0.764SS**  trans-83.993.8-165.232.4-35.8000113.1V126P124-V126 PolarHBondContact O-N 3.44Å
125T53.9Low51.5Low128 Ų128130 Ų13079%0.78577%0.767SS**  trans-80.4111.8166.3-56.70000110.5A123 V127A123-T125 PolarHBondContact O-N 3.02Å; A123-T125 VanDerWaalsContact O-N 3.12Å; T125-V127 HydrophobicContact CG2-CG2 4.31Å; T125-V127 PolarHBondContact O-N 3.49Å
126V50.2Low50.8Low133 Ų133137 Ų13781%0.80678%0.778SS**  trans-69.1107.1178.1178.90000110.7P124P124-V126 PolarHBondContact O-N 3.44Å
127V51.1Low50.2Low130 Ų130140.6 Ų140.679%0.78879%0.792SS**  trans-131.5139.9164-1750000109.6T125T125-V127 HydrophobicContact CG2-CG2 4.31Å; T125-V127 PolarHBondContact O-N 3.49Å
128R51.7Low49.5Very low235 Ų235143.6 Ų143.689%0.88780%0.798SS**  trans-79.7152.1-160.8-67.8172.4172.8144.8-3.2114T130R128-T130 PolarHBondContact O-N 2.92Å
129N41.4Very low48.8Very low162 Ų162141 Ų14187%0.86679%0.792SS**  trans-48.9119177.7-75-29.3000115
130T52.7Low48.1Very low134 Ų134146.8 Ų146.882%0.82280%0.801SS**  trans-135.9130.5134.149.90000108.8R128R128-T130 PolarHBondContact O-N 2.92Å
131R47.6Very low47.9Very low241 Ų241148.8 Ų148.891%0.90981%0.808SS**  trans-84.1136179.8-70.6175.2170178-4.3110.6
132P52.8Low47Very low123 Ų123154.6 Ų154.680%0.79981%0.814SS**  trans-112.6146.9144.418.7-1.5000111.1
133L49.1Very low46.8Very low154 Ų154157.3 Ų157.381%0.80681%0.809SS**  trans-78.2133.4-174-66.2164.9000111.8T135L133-T135 PolarHBondContact O-N 2.95Å
134L39.6Very low46.1Very low180 Ų180160.4 Ų160.494%0.94282%0.815SS**  trans-78.385175.2-114.4169.5000111.1R136L134-R136 PolarHBondContact O-N 3.22Å
135T48Very low45.6Very low118 Ų118162.9 Ų162.972%0.72482%0.82SS**  trans-90.990.3171.1450000112.1L133 I137L133-T135 PolarHBondContact O-N 2.95Å; T135-I137 PolarHBondContact O-N 3.27Å
136R38.3Very low45.3Very low221 Ų221161.1 Ų161.183%0.83482%0.818SS**  trans3176.9139.8-160-176.3-154.6178.66.4116.7L134 N138L134-R136 PolarHBondContact O-N 3.22Å; R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.46Å
137I42.9Very low45.2Very low165 Ų165160.7 Ų160.785%0.84682%0.819SS**  trans-75.187.5169.7-57174000108.9T135T135-I137 PolarHBondContact O-N 3.27Å
138N37.6Very low44.7Very low137 Ų137164.7 Ų164.773%0.73382%0.821SS**  trans-137.268.7171.4-111.6-13.6000108.5R136R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.46Å
139S42.8Very low44.6Very low100 Ų100157.9 Ų157.970%0.69981%0.807SS**  trans-153.989.2178.955.80000110.6
140Y43.4Very low44.7Very low217 Ų217154.7 Ų154.785%0.85180%0.803SS**  trans-68.2140.8162.8-68.7-81.4000109.2R142Y140-R142 PolarHBondContact O-N 2.68Å
141P49Very low44.1Very low115 Ų115154.4 Ų154.475%0.74780%0.797SS**  trans-60.3122.2-177.8-23.333.7000111.8E143P141-E143 PolarHBondContact O-N 2.98Å
142R39.5Very low43.6Very low248 Ų248151.6 Ų151.694%0.93679%0.791SS**  trans-93.871.3177.1-167.8-164.2-168-93.43.2110.2Y140Y140-R142 PolarHBondContact O-N 2.68Å
143E44.4Very low42.9Very low156 Ų156158.3 Ų158.373%0.72980%0.801SS**  trans-108.3124176.9-66.5-164.4-162.100112.7P141P141-E143 PolarHBondContact O-N 2.98Å
144N39Very low42.2Very low148 Ų148155.4 Ų155.479%0.79179%0.793SS**  trans53.865.5153.7-60.3-44.9000118.6
145L42.4Very low41.9Very low175 Ų175152.7 Ų152.792%0.91679%0.788SS**  trans-112111.2146.8-70.4177.8000109.6
146A48.5Very low41.3Very low91 Ų91158.3 Ų158.375%0.75280%0.796SS**PPolyproline II helixtrans-63.3151.2179.400000111.8Y148A146-Y148 PolarHBondContact O-N 3.18Å
147P46.4Very low41Very low125 Ų125159.8 Ų159.881%0.81280%0.802SS**PPolyproline II helixtrans-65.1123.1179.3-1629.9000110.8
148Y42.4Very low40.7Very low213 Ų213158.1 Ų158.184%0.83580%0.8SS**PPolyproline II helixtrans-64.4124.8172.3-137.8-89000108.9A146 A150A146-Y148 PolarHBondContact O-N 3.18Å; Y148-A150 PolarHBondContact O-N 3Å
149P48.4Very low40.4Very low93 Ų93157.5 Ų157.560%0.60481%0.806SS**PPolyproline II helixtrans-68.8121.3-17626.1-33.2000110.4N151P149-N151 PolarHBondContact O-N 3.34Å
150A42.8Very low40Very low94 Ų94157.3 Ų157.378%0.77780%0.804SS**SBendtrans-74.916.5-172.600000114.9Y148Y148-A150 PolarHBondContact O-N 3Å
151N40.9Very low39.8Very low128 Ų128153.1 Ų153.168%0.68480%0.804SS**  trans-130.660.8-157.5-58.411.5000112.8P149P149-N151 PolarHBondContact O-N 3.34Å
152F37.3Very low39.4Very low182 Ų182153.8 Ų153.880%0.79881%0.805SS**  trans-131.731.8177.1-106.9-84.5000115.3
153W38.6Very low39.3Very low264 Ų264146.2 Ų146.2100%180%0.796SS**SBendtrans-108.133.2170.9-72.872.7000112.5
154S34.7Very low39.3Very low93 Ų93143.4 Ų143.465%0.6579%0.791SS**  trans-153.5106.4175.5560000111.8
155C32.1Very low39.7Very low123 Ų123143.9 Ų143.983%0.83179%0.789SS**  trans171.989.7154.3-96.20000105.8
156R35.3Very low39.6Very low237 Ų237143.2 Ų143.289%0.89479%0.785SS**  38.7122.292.3-73.4-166.9-168.8-106.31.5113.6T158R156-T158 PolarHBondContact O-N 3.06Å
157R32.7Very low39.3Very low251 Ų251147.9 Ų147.995%0.94779%0.785SS**  trans-54.9111.5167.3-72.4172.9-86.9-111.9-0.8110.7
158T37.2Very low39.7Very low131 Ų131145.5 Ų145.580%0.80477%0.768SS**  trans-137.8143.2146.148.60000107.9R156R156-T158 PolarHBondContact O-N 3.06Å
159S31.7Very low40.1Very low124 Ų124138.1 Ų138.187%0.86775%0.751SS**  trans-77.9118-178.544.60000111.2
160S34.1Very low40.3Very low95 Ų95141.1 Ų141.166%0.66476%0.755SS**  trans-159.6130.9163.9-172.90000111.2V162S160-V162 PolarHBondContact O-N 3.19Å
161P39.1Very low40.6Very low130 Ų130139.5 Ų139.584%0.84474%0.741SS**  trans-98.973.2-175.937.9-33.1000112.6
162V40.2Very low41.3Very low128 Ų128136.2 Ų136.278%0.77673%0.732SS**  trans-138.490.5177.8-172.20000112.4S160S160-V162 PolarHBondContact O-N 3.19Å
163A37.8Very low42.2Very low89 Ų89133.9 Ų133.974%0.73672%0.723SS**  trans156.6125.3153.300000109.1
164P44Very low42.8Very low97 Ų97126.3 Ų126.363%0.6370%0.702SS**  -150.3104.489.535.1-15.3000114.5
165Q46.3Very low43.6Very low159 Ų159123.4 Ų123.474%0.74368%0.683SS**SBendtrans-101.2-8.2178.1-69.7-70.518.100115.5T168Q165-T168 PolarHBondContact O-OG1 2.68Å; Q165-T168 VanDerWaalsContact O-OG1 3.12Å
166L41.5Very low44.8Very low161 Ų161122.4 Ų122.484%0.84368%0.678SS**THydrogen-bonded Turntrans-100.6-16.1-174.3-74.9169.3000115.1
167Y41.8Very low45.7Very low189 Ų189117 Ų11774%0.74167%0.665SS**THydrogen-bonded Turntrans-89.7-17.4175.5-82.5-87.5000113.2
168T54.9Low46.6Very low74 Ų74112 Ų11245%0.45465%0.651SS.*Hα-helixtrans-73.9-41.7-179490000112.3Q165 K170 A171 A172Q165-T168 PolarHBondContact O-OG1 2.68Å; Q165-T168 VanDerWaalsContact O-OG1 3.12Å; T168-K170 PolarHBondContact O-N 3.02Å; T168-A171 PolarHBondContact O-N 3.04Å; T168-A172 WeakPolarHBondContact O-CB 3.21Å; T168-A172 PolarHBondContact O-N 3.38Å
169A52Low46.9Very low58 Ų58109.2 Ų109.248%0.47965%0.649SS.*Hα-helixtrans-62-42.4-176.800000113.9Q173A169-Q173 WeakPolarHBondContact O-CG 3.44Å; A169-Q173 PolarHBondContact O-N 2.87Å
170K51Low47.5Very low157 Ų157111.3 Ų111.368%0.68364%0.638SS**Hα-helixtrans-72.3-32.9175.8-83.9-174.2173-178.80113T168 L174T168-K170 PolarHBondContact O-N 3.02Å; K170-L174 WeakPolarHBondContact O-CG 3.45Å; K170-L174 PolarHBondContact O-N 2.9Å; K170-L174 VanDerWaalsContact O-N 3.16Å
171A50.6Low48Very low59 Ų59111.6 Ų111.649%0.48865%0.647SS.*Hα-helixtrans-66.4-42.1173.500000111.3T168 L174 A175T168-A171 PolarHBondContact O-N 3.04Å; A171-L174 PolarHBondContact O-N 3.46Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.91Å
172A54.9Low48.2Very low60 Ų60113.6 Ų113.650%0.49664%0.642SS.*Hα-helixtrans-64.5-42175.800000112.8T168 L174 A175 S176T168-A172 WeakPolarHBondContact O-CB 3.21Å; T168-A172 PolarHBondContact O-N 3.38Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 3.35Å; A172-A175 PolarHBondContact O-N 3.43Å; A172-S176 PolarHBondContact O-N 2.86Å
173Q55.8Low48.6Very low133 Ų133113.1 Ų113.162%0.62164%0.642SS**Hα-helixtrans-63.1-34.7175-77.3179.4-15.100113A169 I177A169-Q173 WeakPolarHBondContact O-CG 3.44Å; A169-Q173 PolarHBondContact O-N 2.87Å; Q173-I177 WeakPolarHBondContact O-CG1 3.17Å
174L50.5Low49.1Very low105 Ų105115.1 Ų115.155%0.5565%0.645SS.*Hα-helixtrans-76.3-37.7175-69.5171.9000112.3K170 A171 A172 S176 I177 F178K170-L174 WeakPolarHBondContact O-CG 3.45Å; K170-L174 PolarHBondContact O-N 2.9Å; K170-L174 VanDerWaalsContact O-N 3.16Å; A171-L174 PolarHBondContact O-N 3.46Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 3.35Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.44Å; L174-I177 PolarHBondContact O-N 2.96Å; L174-I177 VanDerWaalsContact O-N 3.11Å; L174-F178 PolarHBondContact O-N 2.96Å
175A53.4Low49Very low31 Ų31116.3 Ų116.326%0.25665%0.653SS.*Hα-helixtrans-60.3-39.4174.100000112.1A171 A172 I177 F178 G179A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.91Å; A172-A175 PolarHBondContact O-N 3.43Å; A175-I177 PolarHBondContact O-N 3.35Å; A175-F178 PolarHBondContact O-N 3.19Å; A175-G179 PolarHBondContact O-N 3.25Å
176S55.7Low48.6Very low103 Ų103119.7 Ų119.772%0.7266%0.661SS**Hα-helixtrans-61.4-20.6174.5-177.10000114.6A172 L174A172-S176 PolarHBondContact O-N 2.86Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.44Å
177I54.1Low48.4Very low123 Ų123117.2 Ų117.263%0.63166%0.663SS**Hα-helixtrans-90.7-25.1-179.1-68.1167.9000111.5Q173 L174 A175Q173-I177 WeakPolarHBondContact O-CG1 3.17Å; L174-I177 PolarHBondContact O-N 2.96Å; L174-I177 VanDerWaalsContact O-N 3.11Å; A175-I177 PolarHBondContact O-N 3.35Å
178F52.9Low48.1Very low145 Ų145113 Ų11364%0.63667%0.667SS**Hα-helixtrans-113.18.6-173.8-72.9-80000114.5L174 A175 Y180L174-F178 PolarHBondContact O-N 2.96Å; A175-F178 PolarHBondContact O-N 3.19Å; F178-Y180 HydrophobicContact CB-CD2 3.77Å; F178-Y180 HydrophobicContact CB-CE2 4.1Å; F178-Y180 VanDerWaalsContact O-CD2 3.29Å; F178-Y180 WeakPolarHBondContact O-CD2 3.27Å; F178-Y180 PolarHBondContact O-N 3.17Å; F178-Y180 VanDerWaalsContact O-N 3.17Å
179G43.5Very low47.1Very low74 Ų74114.5 Ų114.576%0.76369%0.688SS**THydrogen-bonded Turntrans70.87.5173.900000115.7A175 A181A175-G179 PolarHBondContact O-N 3.25Å; G179-A181 PolarHBondContact O-N 3.42Å
180Y43.2Very low46.3Very low167 Ų167116.9 Ų116.966%0.65571%0.707SS**  trans-85.6101.5-179.4-70.8-72000111.8F178 F182F178-Y180 HydrophobicContact CB-CD2 3.77Å; F178-Y180 HydrophobicContact CB-CE2 4.1Å; F178-Y180 VanDerWaalsContact O-CD2 3.29Å; F178-Y180 WeakPolarHBondContact O-CD2 3.27Å; F178-Y180 PolarHBondContact O-N 3.17Å; F178-Y180 VanDerWaalsContact O-N 3.17Å; Y180-F182 PolarHBondContact O-N 3.47Å
181A45.5Very low45.5Very low101 Ų101113.3 Ų113.384%0.83571%0.707SS**  trans-73.1104.2167.300000110.5G179G179-A181 PolarHBondContact O-N 3.42Å
182F43.6Very low44.7Very low172 Ų172116.8 Ų116.875%0.75473%0.726SS**  trans-85.2128.9165.9-92.7-86.8000110.1Y180 T184Y180-F182 PolarHBondContact O-N 3.47Å; F182-T184 PolarHBondContact O-N 3.11Å
183P47.6Very low43.7Very low119 Ų119117.5 Ų117.577%0.77374%0.739SS**  trans-69114.2174.728-32.9000109.6P185P183-P185 VanDerWaalsContact O-CD 3.27Å; P183-P185 WeakPolarHBondContact O-CD 3.39Å
184T49.1Very low42.8Very low131 Ų131118.1 Ų118.180%0.80475%0.747SS**  trans-74.7114.9176.745.10000111.1F182 Y186F182-T184 PolarHBondContact O-N 3.11Å; T184-Y186 PolarHBondContact O-N 3.2Å
185P41.7Very low42.2Very low121 Ų121121.1 Ų121.179%0.78676%0.763SS**  trans-98.462.2-176.538.1-30.1000111.1P183P183-P185 VanDerWaalsContact O-CD 3.27Å; P183-P185 WeakPolarHBondContact O-CD 3.39Å
186Y37.8Very low41.8Very low231 Ų231125.2 Ų125.291%0.90678%0.78SS**  trans-161.476.7175.7-127.7-80.8000113.6T184T184-Y186 PolarHBondContact O-N 3.2Å
187A37Very low41.1Very low108 Ų108128.2 Ų128.289%0.89378%0.784SS**SBendtrans-153.6-29.2173.600000117.1
188A35.9Very low40.3Very low101 Ų101130.6 Ų130.684%0.83580%0.795SS**SBendtrans-122.22.8-158.800000117.6
189A34.2Very low39.6Very low106 Ų106127.4 Ų127.488%0.87679%0.79SS**  trans-10842.7-168.300000114.7
190A34.6Very low39.4Very low108 Ų108131.2 Ų131.289%0.89379%0.788SS**SBendtrans-100.82.5179.900000114.5
191A34.5Very low39.1Very low82 Ų82130.6 Ų130.668%0.67880%0.796SS**SBendtrans-139.9146.4179.500000110.6
192C34.5Very low39Very low132 Ų132136.6 Ų136.689%0.89280%0.797SS**  trans56.495179-58.70000114.7
193G32.1Very low38.8Very low74 Ų74136.9 Ų136.976%0.76380%0.8SS**  trans-75.2138.5160.400000110
194D38.7Very low38.4Very low147 Ų147134.9 Ų134.979%0.78679%0.794SS**  trans-151.8139.7154.8-106.8-36.8000112.2I196D194-I196 PolarHBondContact O-N 3.14Å
195N37.4Very low38.1Very low168 Ų168136.7 Ų136.790%0.89880%0.799SS**THydrogen-bonded Turntrans-8758.6-162.5-72.1-74.8000113.6
196I45.1Very low38.3Very low117 Ų117136.4 Ų136.460%0.679%0.794SS**THydrogen-bonded Turntrans-113.5-29.5-169.7-59.4-178.3000114.4D194 S199D194-I196 PolarHBondContact O-N 3.14Å; I196-S199 PolarHBondContact O-OG 3.2Å
197M39.5Very low39Very low165 Ų165127 Ų12781%0.81377%0.768SS**THydrogen-bonded Turntrans-84.6-8.6-171.7-89.9-73.2175.300117.1
198M37.3Very low40.1Very low173 Ų173124.6 Ų124.685%0.85274%0.744SS**THydrogen-bonded Turntrans-98.40.9-175.7-77.2-71.9-9200115.2
199S39.7Very low41Very low78 Ų78124.5 Ų124.555%0.54574%0.735SS.*SBendtrans-93.7-24.8-177.256.40000114.4I196I196-S199 PolarHBondContact O-OG 3.2Å
200Q38.9Very low42.2Very low154 Ų154126.8 Ų126.872%0.7273%0.725SS**SBendtrans-87.7-17.9-173.6-65.5-176.8-3.300114.2R202Q200-R202 PolarHBondContact O-N 3.48Å
201L37.1Very low43.8Very low154 Ų154124.3 Ų124.381%0.80670%0.699SS**THydrogen-bonded Turntrans-81.228.1178.2-108.6154.1000114.4
202R42.5Very low45Very low228 Ų228124.6 Ų124.686%0.8669%0.689SS**THydrogen-bonded Turntrans-108.5-1.9174.5-75-163.8-177-147.35.2114.9Q200Q200-R202 PolarHBondContact O-N 3.48Å
203Q40.1Very low46.3Very low178 Ų178124.2 Ų124.283%0.83268%0.675SS**SBendtrans-111.8-6.8-170.5-63.8-174200115.1N205Q203-N205 PolarHBondContact O-N 2.74Å
204A39.2Very low47.9Very low76 Ų76125 Ų12563%0.62866%0.659SS**SBendtrans-84.3113.8172.300000110.7V206A204-V206 HydrophobicContact CB-CG2 4.39Å; A204-V206 PolarHBondContact O-N 3.24Å
205N43.1Very low48.7Very low170 Ų170123.6 Ų123.691%0.90965%0.648SS**  trans-74.562.3-176.8-170.323.4000112.6Q203Q203-N205 PolarHBondContact O-N 2.74Å
206V46.4Very low49.7Very low114 Ų114120.9 Ų120.969%0.69163%0.632SS**  trans-97108.3175.3-171.10000108.1A204 S208A204-V206 HydrophobicContact CB-CG2 4.39Å; A204-V206 PolarHBondContact O-N 3.24Å; V206-S208 PolarHBondContact O-N 2.69Å
207G51.9Low50.2Low35 Ų35117.4 Ų117.436%0.36162%0.621SS.*  trans-50.4136.1178.700000111.1
208S60.1Low50.9Low56 Ų56116 Ų11639%0.39261%0.607SS.*  trans-50.9155.5-172.975.10000112V206 K210 T211 I212V206-S208 PolarHBondContact O-N 2.69Å; S208-K210 CarbonylContact O-C 3.58Å; S208-K210 PolarHBondContact O-N 3.2Å; S208-K210 WeakPolarHBondContact OG-CB 3.38Å; S208-K210 PolarHBondContact OG-N 2.86Å; S208-T211 PolarHBondContact N-OG1 3.42Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 VanDerWaalsContact O-CB 3.28Å; S208-T211 WeakPolarHBondContact O-CB 3.23Å; S208-T211 PolarHBondContact O-N 2.87Å; S208-T211 PolarHBondContact O-OG1 3.5Å; S208-T211 PolarHBondContact OG-N 3.08Å; S208-T211 PolarHBondContact OG-OG1 3.37Å; S208-I212 PolarHBondContact O-N 3.09Å; S208-I212 VanDerWaalsContact O-N 3.07Å
209P54.4Low51.5Low100 Ų100111.4 Ų111.465%0.64960%0.596SS**Hα-helixtrans-53.2-26.2175.6-28.535.6000113.5M213P209-M213 WeakPolarHBondContact O-CB 3.29Å; P209-M213 VanDerWaalsContact O-CE 3.24Å; P209-M213 WeakPolarHBondContact O-CE 3.43Å; P209-M213 VanDerWaalsContact O-CG 3.32Å; P209-M213 WeakPolarHBondContact O-CG 3.46Å; P209-M213 PolarHBondContact O-N 3.22Å; P209-M213 VanDerWaalsContact O-N 3.07Å
210K60.2Low51.9Low153 Ų153112.6 Ų112.667%0.66560%0.6SS**Hα-helixtrans-67.1-43.8171.7-169.4-177176.9-168.90112.2S208 M213 E214S208-K210 CarbonylContact O-C 3.58Å; S208-K210 PolarHBondContact O-N 3.2Å; S208-K210 WeakPolarHBondContact OG-CB 3.38Å; S208-K210 PolarHBondContact OG-N 2.86Å; K210-M213 PolarHBondContact O-N 2.88Å; K210-E214 VanDerWaalsContact O-CB 3.32Å; K210-E214 WeakPolarHBondContact O-CB 3.42Å; K210-E214 PolarHBondContact O-N 2.84Å
211T67.2Low52.3Low56 Ų56112.1 Ų112.134%0.34460%0.598SS.*Hα-helixtrans-63.9-45.1176.6-42.10000111.4S208 E214 H215S208-T211 PolarHBondContact N-OG1 3.42Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 VanDerWaalsContact O-CB 3.28Å; S208-T211 WeakPolarHBondContact O-CB 3.23Å; S208-T211 PolarHBondContact O-N 2.87Å; S208-T211 PolarHBondContact O-OG1 3.5Å; S208-T211 PolarHBondContact OG-N 3.08Å; S208-T211 PolarHBondContact OG-OG1 3.37Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 VanDerWaalsContact O-N 3.13Å; T211-H215 PolarHBondContact O-CD2 3.34Å; T211-H215 VanDerWaalsContact O-CD2 3.26Å; T211-H215 PolarHBondContact O-N 3.32Å
212I60.5Low52.4Low89 Ų89114.4 Ų114.446%0.45660%0.598SS.*Hα-helixtrans-62.8-45.8176.3-62172.8000110.6S208 E214 H215 L216S208-I212 PolarHBondContact O-N 3.09Å; S208-I212 VanDerWaalsContact O-N 3.07Å; I212-E214 PolarHBondContact O-N 3.12Å; I212-H215 PolarHBondContact O-N 3.24Å; I212-L216 HydrophobicContact CG2-CD1 4.16Å; I212-L216 WeakPolarHBondContact O-CG 3.41Å; I212-L216 PolarHBondContact O-N 3.48Å
213M62Low52.5Low124 Ų124108.8 Ų108.861%0.61159%0.591SS**Hα-helixtrans-61.9-30.3173.5-77-173.1-71.900113.3P209 K210 A217P209-M213 WeakPolarHBondContact O-CB 3.29Å; P209-M213 VanDerWaalsContact O-CE 3.24Å; P209-M213 WeakPolarHBondContact O-CE 3.43Å; P209-M213 VanDerWaalsContact O-CG 3.32Å; P209-M213 WeakPolarHBondContact O-CG 3.46Å; P209-M213 PolarHBondContact O-N 3.22Å; P209-M213 VanDerWaalsContact O-N 3.07Å; K210-M213 PolarHBondContact O-N 2.88Å; M213-A217 VanDerWaalsContact O-CB 3.28Å; M213-A217 WeakPolarHBondContact O-CB 3.48Å; M213-A217 PolarHBondContact O-N 2.95Å
214E65Low52.2Low89 Ų89103.7 Ų103.742%0.41657%0.574SS.*Hα-helixtrans-76.7-36.2178.9-160.2175.415300112.3K210 T211 I212 A217 R218K210-E214 VanDerWaalsContact O-CB 3.32Å; K210-E214 WeakPolarHBondContact O-CB 3.42Å; K210-E214 PolarHBondContact O-N 2.84Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 VanDerWaalsContact O-N 3.13Å; I212-E214 PolarHBondContact O-N 3.12Å; E214-A217 PolarHBondContact O-N 3.07Å; E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.19Å; E214-R218 VanDerWaalsContact O-N 3.07Å; E214-R218 IonicContact OE1-CZ 2.78Å; E214-R218 IonicContact OE1-NH2 3.63Å; E214-R218 PolarHBondContact OE1-NH2 2.91Å
215H56Low52.2Low119 Ų119106.2 Ų106.255%0.55158%0.584SS**Hα-helixtrans-66-43.8170.1-81.4-117.7000111.6T211 I212 A217 R218 A219T211-H215 PolarHBondContact O-CD2 3.34Å; T211-H215 VanDerWaalsContact O-CD2 3.26Å; T211-H215 PolarHBondContact O-N 3.32Å; I212-H215 PolarHBondContact O-N 3.24Å; H215-A217 VanDerWaalsContact C-N 3.34Å; H215-A217 PolarHBondContact O-N 2.85Å; H215-R218 PolarHBondContact O-N 3.13Å; H215-A219 PolarHBondContact O-N 3.33Å; H215-A219 VanDerWaalsContact O-N 3.1Å
216L57.5Low52.2Low110 Ų110107.8 Ų107.858%0.57658%0.577SS**Hα-helixtrans-62.7-38.1173.8-71.2173.8000112.2I212 A219 T220I212-L216 HydrophobicContact CG2-CD1 4.16Å; I212-L216 WeakPolarHBondContact O-CG 3.41Å; I212-L216 PolarHBondContact O-N 3.48Å; L216-A219 PolarHBondContact O-N 3.32Å; L216-T220 PolarHBondContact O-N 3.16Å
217A56.5Low52Low44 Ų44109.4 Ų109.436%0.36458%0.577SS.*Hα-helixtrans-63.7-45.6175.700000112.1M213 E214 H215 A219 T220 E221M213-A217 VanDerWaalsContact O-CB 3.28Å; M213-A217 WeakPolarHBondContact O-CB 3.48Å; M213-A217 PolarHBondContact O-N 2.95Å; E214-A217 PolarHBondContact O-N 3.07Å; H215-A217 VanDerWaalsContact C-N 3.34Å; H215-A217 PolarHBondContact O-N 2.85Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.08Å; A217-T220 PolarHBondContact O-N 3.42Å; A217-T220 PolarHBondContact O-OG1 3.23Å; A217-E221 PolarHBondContact O-N 3Å
218R53.8Low51.6Low135 Ų135113 Ų11351%0.50959%0.592SS.*Hα-helixtrans-63-33.9177.3-68.7175.5-158.9165.75.7112.5E214 H215 T220 E221E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.19Å; E214-R218 VanDerWaalsContact O-N 3.07Å; E214-R218 IonicContact OE1-CZ 2.78Å; E214-R218 IonicContact OE1-NH2 3.63Å; E214-R218 PolarHBondContact OE1-NH2 2.91Å; H215-R218 PolarHBondContact O-N 3.13Å; R218-T220 PolarHBondContact O-N 3.32Å; R218-E221 PolarHBondContact O-N 3.04Å
219A49.3Very low50.9Low77 Ų77116.3 Ų116.364%0.63661%0.605SS**Hα-helixtrans-64.3-23.7173.100000113.2H215 L216 A217H215-A219 PolarHBondContact O-N 3.33Å; H215-A219 VanDerWaalsContact O-N 3.1Å; L216-A219 PolarHBondContact O-N 3.32Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.08Å
220T47.4Very low50.3Low103 Ų103118.9 Ų118.963%0.63261%0.613SS**THydrogen-bonded Turntrans-93.9-1.8176.262.80000114.8L216 A217 R218L216-T220 PolarHBondContact O-N 3.16Å; A217-T220 PolarHBondContact O-N 3.42Å; A217-T220 PolarHBondContact O-OG1 3.23Å; R218-T220 PolarHBondContact O-N 3.32Å
221E47.7Very low49.5Very low145 Ų145119 Ų11968%0.67861%0.614SS**SBendtrans-90.1-3.5-179.1-76.5-177.5159.400113.9A217 R218A217-E221 PolarHBondContact O-N 3Å; R218-E221 PolarHBondContact O-N 3.04Å
222Y38.8Very low48.2Very low201 Ų201119.9 Ų119.979%0.78863%0.634SS**SBendtrans-113.6106.9166.8-82.1-90000110.3C224Y222-C224 PolarHBondContact O-N 2.89Å
223P44.8Very low47.3Very low110 Ų110121.3 Ų121.371%0.71464%0.638SS**  trans-67.3122.2174.8-1730.7000110.5
224C33.7Very low46.6Very low71 Ų71119.7 Ų119.748%0.4864%0.636SS.*  trans-61129.9169.5-74.60000109.5Y222 W226Y222-C224 PolarHBondContact O-N 2.89Å; C224-W226 PolarHBondContact O-N 3.23Å
225P39.7Very low46.2Very low129 Ų129121.6 Ų121.684%0.83865%0.649SS**THydrogen-bonded Turntrans-62.5-1.3-167.4-28.636.3000118.5
226W42.9Very low46.8Very low203 Ų203118.5 Ų118.577%0.76964%0.64SS**THydrogen-bonded Turntrans-109.8-2.3-169.953.6-95.5000115.2C224 V228C224-W226 PolarHBondContact O-N 3.23Å; W226-V228 VanDerWaalsContact C-N 3.27Å; W226-V228 PolarHBondContact O-N 3.43Å
227E43.4Very low47.3Very low148 Ų148117.7 Ų117.769%0.69263%0.632SS**THydrogen-bonded Turntrans-80.57-171.5-130.4176.4-167.900115.3
228V43.7Very low47.9Very low111 Ų111121.2 Ų121.267%0.67364%0.641SS**THydrogen-bonded Turntrans-91.9-14.4-164.6-178.40000114.7W226W226-V228 VanDerWaalsContact C-N 3.27Å; W226-V228 PolarHBondContact O-N 3.43Å
229D43.5Very low48.9Very low125 Ų125121 Ų12167%0.66864%0.641SS**SBendtrans-121.9-2.2-164.6-78.4-43.9000117.4K237D229-K237 IonicContact OD1-NZ 2.6Å; D229-K237 PolarHBondContact OD1-NZ 3.26Å
230L43.9Very low50.2Low155 Ų155122.6 Ų122.681%0.81264%0.639SS**SBendtrans-94.6-10.6-168.7-135.669.9000117.2
231F42.1Very low51.7Low156 Ų156125.4 Ų125.468%0.68464%0.638SS**SBendtrans-131.6100.7178.6-85.1-90000114.9L86 Q233L86-F231 HydrophobicContact CD2-CD2 4.31Å; L86-F231 HydrophobicContact CD2-CE1 4.37Å; L86-F231 HydrophobicContact CD2-CE2 3.32Å; L86-F231 HydrophobicContact CD2-CZ 3.36Å; F231-Q233 PolarHBondContact O-N 3.47Å
232G40.1Very low53Low74 Ų74125.1 Ų125.176%0.76364%0.636SS**SBendtrans80.82138.900000120T234G232-T234 VanDerWaalsContact C-N 3.28Å; G232-T234 PolarHBondContact O-N 2.84Å
233Q42.3Very low55Low118 Ų118120.5 Ų120.555%0.55162%0.62SS**  trans-88.349.7169.7-71.4-166.728.200113.1F231 S236 K237F231-Q233 PolarHBondContact O-N 3.47Å; Q233-S236 PolarHBondContact OE1-OG 3.48Å; Q233-K237 HydrophobicContact CB-CD 4.31Å; Q233-K237 HydrophobicContact CB-CG 4.22Å; Q233-K237 WeakPolarHBondContact O-CB 3.46Å; Q233-K237 WeakPolarHBondContact O-CG 3.36Å
234T47.8Very low56.7Low91 Ų91119.9 Ų119.956%0.55861%0.61SS**Hα-helixtrans-70.2-51170.947.70000110.4G232 Q238G232-T234 VanDerWaalsContact C-N 3.28Å; G232-T234 PolarHBondContact O-N 2.84Å; T234-Q238 VanDerWaalsContact O-CB 3.27Å; T234-Q238 WeakPolarHBondContact O-CB 3.4Å; T234-Q238 WeakPolarHBondContact O-CG 3.43Å; T234-Q238 PolarHBondContact O-N 3.08Å
235D56Low58.8Low128 Ų128120.9 Ų120.968%0.68461%0.61SS**Hα-helixtrans-75.3-37.4-166.6-59.32.4000112.4Y239D235-Y239 VanDerWaalsContact O-CB 3.22Å; D235-Y239 WeakPolarHBondContact O-CB 3.1Å; D235-Y239 PolarHBondContact O-N 2.73Å
236S69Low60.5Low54 Ų54120.9 Ų120.938%0.37860%0.599SS.*Hα-helixtrans-72-42.2177.761.90000112.6Q233 Y239 L240Q233-S236 PolarHBondContact OE1-OG 3.48Å; S236-Y239 PolarHBondContact O-N 2.69Å; S236-L240 WeakPolarHBondContact O-CD1 2.94Å; S236-L240 PolarHBondContact O-N 2.74Å
237K68.2Low62.1Low94 Ų94119.4 Ų119.441%0.40960%0.598SS.*Hα-helixtrans-67.1-40.6176.1-71.1-178.6178.61760110.7D229 Q233 R241D229-K237 IonicContact OD1-NZ 2.6Å; D229-K237 PolarHBondContact OD1-NZ 3.26Å; Q233-K237 HydrophobicContact CB-CD 4.31Å; Q233-K237 HydrophobicContact CB-CG 4.22Å; Q233-K237 WeakPolarHBondContact O-CB 3.46Å; Q233-K237 WeakPolarHBondContact O-CG 3.36Å; K237-R241 WeakPolarHBondContact O-CB 3.39Å; K237-R241 PolarHBondContact O-N 2.9Å
238Q68.9Low63.3Low118 Ų118119.4 Ų119.455%0.55160%0.598SS**Hα-helixtrans-64.2-45.6174.2-69.5-7610.100111.9T234 L240 R241 Q242T234-Q238 VanDerWaalsContact O-CB 3.27Å; T234-Q238 WeakPolarHBondContact O-CB 3.4Å; T234-Q238 WeakPolarHBondContact O-CG 3.43Å; T234-Q238 PolarHBondContact O-N 3.08Å; Q238-L240 PolarHBondContact O-N 3.33Å; Q238-R241 PolarHBondContact O-N 3.11Å; Q238-Q242 WeakPolarHBondContact O-CB 3.43Å; Q238-Q242 PolarHBondContact O-N 3.41Å
239Y74.9Confident64.2Low130 Ų130118.1 Ų118.151%0.5160%0.6SS.*Hα-helixtrans-60.5-42.8177179.8-99.8000112.8D235 S236 Q242 K243D235-Y239 VanDerWaalsContact O-CB 3.22Å; D235-Y239 WeakPolarHBondContact O-CB 3.1Å; D235-Y239 PolarHBondContact O-N 2.73Å; S236-Y239 PolarHBondContact O-N 2.69Å; Y239-Q242 PolarHBondContact O-N 3.32Å; Y239-K243 HydrophobicContact CE1-CD 3.93Å; Y239-K243 PolarHBondContact O-N 2.96Å; Y239-K243 VanDerWaalsContact OH-CE 3.32Å; Y239-K243 WeakPolarHBondContact OH-CE 3.44Å; Y239-K243 PolarHBondContact OH-NZ 2.93Å
240L75.8Confident64.6Low111 Ų111122.3 Ų122.358%0.58161%0.606SS**Hα-helixtrans-65.5-40.7174-99.2113.2000112.3S236 Q238 K243 L244S236-L240 WeakPolarHBondContact O-CD1 2.94Å; S236-L240 PolarHBondContact O-N 2.74Å; Q238-L240 PolarHBondContact O-N 3.33Å; L240-K243 PolarHBondContact O-N 3.37Å; L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 2.93Å
241R78.4Confident64.7Low162 Ų162118.5 Ų118.561%0.61159%0.592SS**Hα-helixtrans-63.8-41.8176.5-169.4178.4-174.8-140.51.6111.5K237 Q238 L244 L245K237-R241 WeakPolarHBondContact O-CB 3.39Å; K237-R241 PolarHBondContact O-N 2.9Å; Q238-R241 PolarHBondContact O-N 3.11Å; R241-L244 PolarHBondContact O-N 3.4Å; R241-L245 HydrophobicContact CG-CD1 4.22Å; R241-L245 WeakPolarHBondContact O-CB 3.4Å; R241-L245 WeakPolarHBondContact O-CG 3.48Å; R241-L245 PolarHBondContact O-N 3.19Å
242Q76.1Confident64.8Low138 Ų138117.1 Ų117.165%0.64560%0.599SS**Hα-helixtrans-63.5-43.4175.7-167.8173.217.900111.3Q238 Y239 L244 L245 E246Q238-Q242 WeakPolarHBondContact O-CB 3.43Å; Q238-Q242 PolarHBondContact O-N 3.41Å; Y239-Q242 PolarHBondContact O-N 3.32Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 2.83Å; Q242-L245 PolarHBondContact O-N 3.45Å; Q242-E246 VanDerWaalsContact O-CB 3.29Å; Q242-E246 WeakPolarHBondContact O-CB 3.25Å; Q242-E246 PolarHBondContact O-N 2.83Å
243K80.9Confident65.1Low104 Ų104119.9 Ų119.945%0.45260%0.596SS.*Hα-helixtrans-67.2-28174.2-98-172.6166.8172.70114.9Y239 L240 K247Y239-K243 HydrophobicContact CE1-CD 3.93Å; Y239-K243 PolarHBondContact O-N 2.96Å; Y239-K243 VanDerWaalsContact OH-CE 3.32Å; Y239-K243 WeakPolarHBondContact OH-CE 3.44Å; Y239-K243 PolarHBondContact OH-NZ 2.93Å; L240-K243 PolarHBondContact O-N 3.37Å; K243-K247 PolarHBondContact O-N 3.15Å
244L79.5Confident65.1Low97 Ų97123.7 Ų123.751%0.50861%0.614SS.*Hα-helixtrans-72.9-43.8172-88.5157.5000111.1L240 R241 Q242 K247 Q248L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 2.93Å; R241-L244 PolarHBondContact O-N 3.4Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 2.83Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 3.42Å; L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 3.42Å
245L77.6Confident65Low92 Ų92122.9 Ų122.948%0.48262%0.616SS.*Hα-helixtrans-62.3-41.9173.1-73.5165.8000111.7R241 Q242 K247 Q248 A249R241-L245 HydrophobicContact CG-CD1 4.22Å; R241-L245 WeakPolarHBondContact O-CB 3.4Å; R241-L245 WeakPolarHBondContact O-CG 3.48Å; R241-L245 PolarHBondContact O-N 3.19Å; Q242-L245 PolarHBondContact O-N 3.45Å; L245-K247 VanDerWaalsContact C-N 3.26Å; L245-K247 PolarHBondContact O-N 3.04Å; L245-Q248 CarbonylContact O-C 3.57Å; L245-Q248 PolarHBondContact O-N 3.36Å; L245-Q248 VanDerWaalsContact O-N 3.08Å; L245-A249 WeakPolarHBondContact O-CB 3.43Å; L245-A249 PolarHBondContact O-N 2.93Å
246E76.6Confident64.2Low129 Ų129124.8 Ų124.860%0.60363%0.627SS**Hα-helixtrans-65.2-28.3175.9-170.3179.4-139.500112.7Q242Q242-E246 VanDerWaalsContact O-CB 3.29Å; Q242-E246 WeakPolarHBondContact O-CB 3.25Å; Q242-E246 PolarHBondContact O-N 2.83Å
247K75.5Confident62.9Low173 Ų173125.7 Ų125.775%0.75265%0.645SS**Hα-helixtrans-76.7-31.5169.3-88.5-169.9169.1-167.10113.8K243 L244 L245K243-K247 PolarHBondContact O-N 3.15Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 3.42Å; L245-K247 VanDerWaalsContact C-N 3.26Å; L245-K247 PolarHBondContact O-N 3.04Å
248Q69.2Low61.4Low147 Ų147126.2 Ų126.269%0.68767%0.667SS**Hα-helixtrans-87.5-22.7-179.8-73.2178-27.300113.1L244 L245 R250L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 3.42Å; L245-Q248 CarbonylContact O-C 3.57Å; L245-Q248 PolarHBondContact O-N 3.36Å; L245-Q248 VanDerWaalsContact O-N 3.08Å; Q248-R250 VanDerWaalsContact C-N 3.26Å; Q248-R250 PolarHBondContact O-N 2.76Å
249A61.8Low59.9Low85 Ų85128.3 Ų128.370%0.70268%0.68SS**SBendtrans-80.4-2.2176.200000113.7L245 S251L245-A249 WeakPolarHBondContact O-CB 3.43Å; L245-A249 PolarHBondContact O-N 2.93Å; A249-S251 PolarHBondContact O-N 2.94Å
250R52Low58.3Low213 Ų213131.5 Ų131.580%0.80470%0.696SS**SBendtrans-81.396.3161.6-70.2-172.1179.8-139.2-5.3108.1Q248Q248-R250 VanDerWaalsContact C-N 3.26Å; Q248-R250 PolarHBondContact O-N 2.76Å
251S45.2Very low56.4Low75 Ų75131.8 Ų131.852%0.52470%0.703SS.*  trans-61.6149.5171.158.40000110.9A249 D253A249-S251 PolarHBondContact O-N 2.94Å; S251-D253 VanDerWaalsContact C-N 3.33Å; S251-D253 VanDerWaalsContact CB-OD2 3.27Å; S251-D253 WeakPolarHBondContact CB-OD2 3.44Å; S251-D253 PolarHBondContact O-N 3.29Å; S251-D253 VanDerWaalsContact O-N 3.12Å; S251-D253 PolarHBondContact OG-OD2 3.03Å
252P44.7Very low54.5Low127 Ų127130.3 Ų130.383%0.82571%0.712SS**  trans-87.268.4-178.336.2-35.2000111.5
253D46.2Very low52.8Low132 Ų132128.6 Ų128.671%0.70671%0.714SS**  trans-101.247.4-179.4-66.9-61.2000113.5S251S251-D253 VanDerWaalsContact C-N 3.33Å; S251-D253 VanDerWaalsContact CB-OD2 3.27Å; S251-D253 WeakPolarHBondContact CB-OD2 3.44Å; S251-D253 PolarHBondContact O-N 3.29Å; S251-D253 VanDerWaalsContact O-N 3.12Å; S251-D253 PolarHBondContact OG-OD2 3.03Å
254E43.8Very low50.8Low197 Ų197130 Ų13092%0.92173%0.732SS**  trans-134.775.5156.8-78.2-164.5161.300109.4
255A43.9Very low48.9Very low74 Ų74130.8 Ų130.861%0.61274%0.743SS**  trans-86.1154.4169.600000111.3
256N40.7Very low46.7Very low168 Ų168129.4 Ų129.490%0.89875%0.751SS**  trans80.282.8162.8-45.6-44.1000117.5
257G40.6Very low44.8Very low74 Ų74135.2 Ų135.276%0.76377%0.768SS**  trans-158.9116.9163.800000113.5
258A37.3Very low43Very low105 Ų105131.5 Ų131.587%0.86876%0.764SS**  trans62.774.3167.700000118.6
259I36.9Very low41.2Very low161 Ų161131.6 Ų131.683%0.82677%0.769SS**  trans-68.2126.4148.7-64.3171.9000108.3V261I259-V261 HydrophobicContact CG2-CG2 3.98Å
260K41.1Very low40.1Very low197 Ų197135.1 Ų135.186%0.85778%0.775SS**  trans-141.492.3159.8-153.3172.5-171.6178.50111.2
261V37.6Very low39.2Very low117 Ų117131.8 Ų131.871%0.70977%0.773SS**  trans-76126.9174.2178.70000109.3I259I259-V261 HydrophobicContact CG2-CG2 3.98Å
262V38.5Very low38.8Very low132 Ų132134.5 Ų134.580%0.878%0.78SS**  trans-138.6124.3156.1179.60000108.1
263S39.2Very low38.5Very low101 Ų101135 Ų13571%0.70678%0.775SS**  trans-75.7150.9-173-50.30000113.5
264T38.7Very low38.1Very low135 Ų135135.2 Ų135.283%0.82877%0.772SS**  trans-79.1156161.843.30000111.7
265P40Very low37.7Very low113 Ų113133.5 Ų133.573%0.73476%0.763SS**  trans-126.3173.113624-6.9000111.7
266G31.8Very low37.5Very low63 Ų63134.5 Ų134.565%0.64977%0.766SS**  trans-64.2-165.2169.900000112.9
267W36.4Very low37.3Very low250 Ų250133.6 Ų133.695%0.94776%0.761SS**  -147.8177.851.7-80.824.7000111.9
268S37.5Very low37.3Very low96 Ų96136 Ų13667%0.67176%0.76SS**  trans-95.2158.5-173.246.70000115.1
269N31.7Very low37.3Very low148 Ų148137.1 Ų137.179%0.79176%0.756SS**  trans63.7123.5152.4-61.3-20000120.8
270L37.6Very low37.1Very low159 Ų159133.6 Ų133.683%0.83275%0.751SS**  trans153.4101.3130.4-80.7162.4000107.6
271N34.1Very low36.9Very low143 Ų143133.5 Ų133.577%0.76575%0.754SS**  67.4141.381.6-126.910.2000115
272I36.5Very low36.9Very low133 Ų133132 Ų13268%0.68275%0.753SS**  trans94.3121151.4-67.5165.4000120.5
273I38.1Very low37.1Very low138 Ų138132.6 Ų132.671%0.70875%0.752SS**  trans94.2107.7151.6-73.1164.9000123.1
274Q37.9Very low37.2Very low136 Ų136135.1 Ų135.164%0.63676%0.758SS**  trans41.4140.5132.1-58.7175.9-96.500125.4
275E35.9Very low37.2Very low160 Ų160132.2 Ų132.275%0.74876%0.755SS**  53144.4129.4-66.3156.2-137.300120.6
276S40.1Very low37.1Very low96 Ų96135 Ų13567%0.67176%0.763SS**  cis-172.7160.114370000113.6
277L36.8Very low37.8Very low149 Ų149136.6 Ų136.678%0.7876%0.761SS**  trans65.6141.9144.5-9483.8000124.9
278T39.4Very low38Very low123 Ų123131.1 Ų131.176%0.75576%0.756SS**  trans70.6159149.461.60000120.1
279T36.8Very low38Very low129 Ų129132.2 Ų132.279%0.79176%0.763SS**  cis-161.5157.3-31-85.20000107.5
280A32.8Very low38.3Very low87 Ų87129.2 Ų129.272%0.71975%0.754SS**  trans-75157.5-172.300000116.2
281H37.1Very low38.3Very low195 Ų195128.1 Ų128.190%0.90375%0.749SS**  trans-142.7143.6155.2-101.9-79.4000110.8
282A37Very low38.4Very low85 Ų85128 Ų12870%0.70275%0.748SS**  trans-118.4160.4177.100000110.6
283N42.7Very low38.5Very low145 Ų145130.6 Ų130.678%0.77576%0.757SS**  trans-171.4111.8152.8-94.8-30.3000113.9
284N42.8Very low38.5Very low155 Ų155131.2 Ų131.283%0.82976%0.761SS**  43.5135.9126.7-50.5-27.3000123.5
285G38.1Very low38.6Very low74 Ų74131.4 Ų131.476%0.76377%0.771SS**  trans155.6123155.600000114.6
286L37.2Very low38.7Very low171 Ų171127.8 Ų127.890%0.89577%0.769SS**  trans-139.5-172.2-171.6-141.484000111.2
287P47.6Very low38.7Very low96 Ų96129.9 Ų129.962%0.62377%0.772SS**  -128.8-143.4-103.246.4-28.8000115.2
288T40.1Very low38.9Very low135 Ų135129.7 Ų129.783%0.82877%0.771SS**  trans89.9150.6172.176.60000115.9
289S37.6Very low39Very low119 Ų119129.2 Ų129.283%0.83277%0.77SS**  cis-151.6-177.24.8-1560000112.6
290S38.5Very low39Very low86 Ų86130.9 Ų130.960%0.60177%0.773SS**  trans-109.5154.7-171.555.90000116.1
291N36.2Very low39.2Very low136 Ų136134.2 Ų134.273%0.72778%0.779SS**  164.8134.7123.8-88.1-45.3000117.6
292L36.6Very low39.1Very low140 Ų140128.5 Ų128.573%0.73377%0.772SS**  trans48.7130.7135.8-59.3168000124.2
293H39.9Very low39Very low188 Ų188132.6 Ų132.687%0.8778%0.777SS**  -161.4150.5129-111.570.2000113.5
294N36.6Very low38.8Very low151 Ų151137 Ų13781%0.80778%0.782SS**  trans-126.8142.5-178.5-82.5-21.4000111.4
295V40.4Very low38.4Very low139 Ų139136.7 Ų136.784%0.84278%0.781SS**  trans-159113.7155.8-175.80000107.2
296A39.2Very low38.3Very low84 Ų84138 Ų13869%0.69478%0.779SS**  65.5144.594.200000116.3
297D39.6Very low38.3Very low140 Ų140136 Ų13675%0.74977%0.774SS**  cis-167.1175-1.7-137.3-32.7000115.6
298I40.8Very low38.1Very low146 Ų146140 Ų14075%0.74978%0.784SS**  trans70.3134.7153.5-63.6162000122.3
299P40.5Very low38Very low112 Ų112140.7 Ų140.773%0.72778%0.783SS**  trans-120.5176.4-17944.4-34.7000116.6
300L38.2Very low38.1Very low164 Ų164142.6 Ų142.686%0.85978%0.783SS**  trans-168.8172.6147.5-108.5165.2000114.6
301N36.1Very low38Very low158 Ų158143.2 Ų143.285%0.84579%0.787SS**  trans-90.3163.4-160.5-56.6-48.6000116.6
302G35.9Very low38.1Very low74 Ų74142.3 Ų142.376%0.76379%0.791SS**  trans139.1106.9140.700000119
303E34.1Very low38.3Very low172 Ų172141.4 Ų141.480%0.80479%0.791SS**  trans2.4124.9154.8-52.2179.6143.700121.1
304R37.8Very low38.2Very low236 Ų236144.3 Ų144.389%0.89180%0.795SS**  -179.9171.2111.6-100.7166.5-108.8-167.3-7.1114.2
305N35.3Very low38.4Very low149 Ų149142.4 Ų142.480%0.79779%0.793SS**  trans-79.7166-169-68.7-30.2000115.1
306S36.1Very low38.4Very low102 Ų102141.5 Ų141.571%0.71379%0.793SS**  trans75.6132.5149.544.30000120.8
307T36.5Very low38.5Very low129 Ų129143.1 Ų143.179%0.79180%0.799SS**  trans74.9141.5149.9440000120.5
308E44.3Very low38.6Very low180 Ų180140.4 Ų140.484%0.84179%0.791SS**  trans83.3120.6166.4-44.7-151.7154.900118.6
309D37.9Very low38.3Very low149 Ų149139 Ų13980%0.79779%0.793SS**  trans17.1135.3151.1-62.4-32.9000121.3
310L39.7Very low38.3Very low160 Ų160138.6 Ų138.684%0.83879%0.785SS**  -169.4120110.6-97.4171.3000111.9
311S37.3Very low38.4Very low98 Ų98136.8 Ų136.869%0.68578%0.781SS**  trans29.7149.3139.965.20000123.7
312S38.3Very low38.6Very low117 Ų117136.8 Ų136.882%0.81878%0.775SS**  trans73.4132.7165-102.10000116.4
313V39.2Very low38.6Very low122 Ų122139.2 Ų139.274%0.73978%0.779SS**  cis-133.61289.2-177.70000108.5
314R37.9Very low38.8Very low248 Ų248133.8 Ų133.894%0.93677%0.77SS**  trans-134.676.9-179.6-142178.6-175-132.50.2111.7S316R314-S316 PolarHBondContact O-N 3.17Å; R314-S316 VanDerWaalsContact O-N 3.08Å
315S41.4Very low38.7Very low112 Ų112134.4 Ų134.478%0.78377%0.772SS**  trans-63.4109.4171.6-55.30000110.1
316S40.1Very low39.3Very low119 Ų119132.8 Ų132.883%0.83277%0.773SS**  trans-62.5134169.340.70000110.6R314R314-S316 PolarHBondContact O-N 3.17Å; R314-S316 VanDerWaalsContact O-N 3.08Å
317S41.1Very low39.9Very low119 Ų119134.9 Ų134.983%0.83277%0.771SS**  trans-136.7112.3161.9-178.30000107.3
318S41.5Very low40Very low82 Ų82133.7 Ų133.757%0.57377%0.774SS**  trans-62.6147.6-173.2-175.40000111.8D320S318-D320 VanDerWaalsContact C-N 3.31Å; S318-D320 WeakPolarHBondContact CB-OD2 3.38Å; S318-D320 PolarHBondContact O-N 3.24Å; S318-D320 PolarHBondContact OG-OD2 3.12Å
319C35.8Very low40.3Very low116 Ų116132.8 Ų132.878%0.78477%0.767SS**  trans-84.971.6169.2530000110.7T321C319-T321 PolarHBondContact O-N 3.33Å
320D39.6Very low40.4Very low105 Ų105133.7 Ų133.756%0.56177%0.772SS**  trans-76.1116.2175.4-72.3-53.6000111.7S318 H322S318-D320 VanDerWaalsContact C-N 3.31Å; S318-D320 WeakPolarHBondContact CB-OD2 3.38Å; S318-D320 PolarHBondContact O-N 3.24Å; S318-D320 PolarHBondContact OG-OD2 3.12Å; D320-H322 VanDerWaalsContact C-N 3.34Å; D320-H322 WeakPolarHBondContact CB-NE2 3.36Å; D320-H322 PolarHBondContact O-N 3.42Å
321T39.5Very low40.6Very low125 Ų125130 Ų13077%0.76777%0.765SS**  trans-85.177.2-176.6-55.70000109.5C319 C323C319-T321 PolarHBondContact O-N 3.33Å; T321-C323 PolarHBondContact O-N 3.47Å
322H40.8Very low40.9Very low158 Ų158134.1 Ų134.173%0.73178%0.776SS**  trans-79.9103.5176.4-59.7-49.4000111.2D320 G324D320-H322 VanDerWaalsContact C-N 3.34Å; D320-H322 WeakPolarHBondContact CB-NE2 3.36Å; D320-H322 PolarHBondContact O-N 3.42Å; H322-G324 PolarHBondContact O-N 2.8Å
323C36.6Very low41.6Very low125 Ų125135.9 Ų135.985%0.84578%0.775SS**  trans-67.865164.9-600000110.7T321 R325T321-C323 PolarHBondContact O-N 3.47Å; C323-R325 PolarHBondContact O-N 2.75Å
324G37.9Very low42Very low59 Ų59139 Ų13961%0.60878%0.778SS**  trans-78.696.3-173.800000112.8H322 S326H322-G324 PolarHBondContact O-N 2.8Å; G324-S326 PolarHBondContact O-N 2.78Å
325R35.9Very low42.1Very low248 Ų248139.5 Ų139.594%0.93678%0.781SS**  trans-68.873.8172.1-170.4-174.3-170.1-152.33.8111.3C323 Q327C323-R325 PolarHBondContact O-N 2.75Å; R325-Q327 PolarHBondContact O-N 2.95Å
326S47.5Very low42.6Very low116 Ų116139.3 Ų139.381%0.81178%0.779SS**  trans-75.4119.4176.4-690000111.2G324G324-S326 PolarHBondContact O-N 2.78Å
327Q48.2Very low43.2Very low146 Ų146138.3 Ų138.368%0.68277%0.765SS**  trans-55.3139.1-173.4-64.3163.4-17.500113R325 K329R325-Q327 PolarHBondContact O-N 2.95Å; Q327-K329 HydrophobicContact CB-CG 4.3Å; Q327-K329 PolarHBondContact O-N 3.47Å
328A39Very low44.1Very low103 Ų103138.9 Ų138.985%0.85177%0.765SS**  trans-64.110016300000109.2
329K50.3Low45Very low161 Ų161140.4 Ų140.470%0.777%0.771SS**  trans-103.3120.7169.3-64.7-173.6-178.6-176.70107.7Q327 A331Q327-K329 HydrophobicContact CB-CG 4.3Å; Q327-K329 PolarHBondContact O-N 3.47Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.39Å
330N39.8Very low45.8Very low168 Ų168143 Ų14390%0.89877%0.772SS**  trans-63.889.7-179.6-67.8-38.4000110.6M332N330-M332 PolarHBondContact O-N 2.86Å
331A45.5Very low46.2Very low83 Ų83148.5 Ų148.569%0.68679%0.785SS**  trans-84.893.4167.700000108.2K329 L333K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.39Å; A331-L333 VanDerWaalsContact C-N 3.29Å; A331-L333 PolarHBondContact O-N 3.08Å
332M42.5Very low46.8Very low185 Ų185149.5 Ų149.591%0.91179%0.785SS**  trans-63.291.2171.5-174.5164.468.400108.6N330 K334N330-M332 PolarHBondContact O-N 2.86Å; M332-K334 PolarHBondContact O-N 2.96Å
333L53.6Low47.3Very low153 Ų153147 Ų14780%0.80178%0.781SS**  trans-65.4101.2-178.8-83.4163.9000109.2A331 W335A331-L333 VanDerWaalsContact C-N 3.29Å; A331-L333 PolarHBondContact O-N 3.08Å; L333-W335 PolarHBondContact O-N 3.1Å
334K48.2Very low48.3Very low187 Ų187151.7 Ų151.781%0.81378%0.781SS**  trans-46.7119169.8-172.3175.5-176.9178.70108.8M332 S336M332-K334 PolarHBondContact O-N 2.96Å; K334-S336 PolarHBondContact O-N 3.15Å
335W39.7Very low49.3Very low260 Ų260155.8 Ų155.899%0.98579%0.785SS**  trans-66.397.5176.8-71.677.1000108.9L333L333-W335 PolarHBondContact O-N 3.1Å
336S51.8Low50.8Low107 Ų107147.7 Ų147.775%0.74876%0.764SS**  trans-79.5134.4173.2-680000110.5K334K334-S336 PolarHBondContact O-N 3.15Å
337D52.8Low52.3Low99 Ų99146.6 Ų146.653%0.52975%0.752SS.*  trans-12.7119.5172.8-161.8-28.9000117.8T339D337-T339 PolarHBondContact O-N 2.94Å; D337-T339 VanDerWaalsContact O-N 3.1Å; D337-T339 WeakPolarHBondContact OD1-CB 3.44Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.33Å; D337-T339 PolarHBondContact OD1-N 2.86Å; D337-T339 PolarHBondContact OD1-OG1 2.67Å; D337-T339 PolarHBondContact OD2-OG1 3.4Å
338P60.1Low53.9Low131 Ų131146.4 Ų146.485%0.85176%0.756SS**THydrogen-bonded Turntrans-62.6-10.4174.7-21.633.4000115.9
339T60.7Low56Low114 Ų114151.1 Ų151.170%0.69975%0.752SS**THydrogen-bonded Turntrans-86.4-16.5-173.464.60000114.4D337 R341D337-T339 PolarHBondContact O-N 2.94Å; D337-T339 VanDerWaalsContact O-N 3.1Å; D337-T339 WeakPolarHBondContact OD1-CB 3.44Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.33Å; D337-T339 PolarHBondContact OD1-N 2.86Å; D337-T339 PolarHBondContact OD1-OG1 2.67Å; D337-T339 PolarHBondContact OD2-OG1 3.4Å; T339-R341 PolarHBondContact O-N 3.01Å; T339-R341 VanDerWaalsContact O-N 3.15Å
340Q52.5Low57.7Low170 Ų170147.3 Ų147.379%0.79473%0.734SS**  trans-81.892.7166.5-69.5-155.50.400110.5D342Q340-D342 VanDerWaalsContact C-N 3.27Å; Q340-D342 PolarHBondContact O-N 3.23Å
341R46.5Very low59.8Low221 Ų221141.6 Ų141.683%0.83471%0.71SS**  trans-63.493162.4-93.5-170.3-82.4-165.7-5.1108.7T339 V343T339-R341 PolarHBondContact O-N 3.01Å; T339-R341 VanDerWaalsContact O-N 3.15Å; R341-V343 PolarHBondContact O-N 3.39Å
342D53.6Low61.8Low145 Ų145139.7 Ų139.778%0.77569%0.686SS**  trans-53.6105.3176-162.314.9000109Q340 W344Q340-D342 VanDerWaalsContact C-N 3.27Å; Q340-D342 PolarHBondContact O-N 3.23Å; D342-W344 PolarHBondContact O-N 2.85Å
343V51.3Low64.1Low106 Ų106138.6 Ų138.664%0.64267%0.672SS**  trans-67110-176.3173.10000105.8R341 Q345R341-V343 PolarHBondContact O-N 3.39Å; V343-Q345 PolarHBondContact O-N 3.41Å
344W56Low65.8Low224 Ų224137.4 Ų137.485%0.84866%0.657SS**  trans-57.182.2179.5-89.679.5000111.5D342 P346D342-W344 PolarHBondContact O-N 2.85Å; W344-P346 VanDerWaalsContact O-CD 3.26Å; W344-P346 WeakPolarHBondContact O-CD 3.4Å
345Q59.5Low68Low145 Ų145135.8 Ų135.868%0.67865%0.646SS**  trans-68.9117.8169.4-69.3-63.4-1.900106.7V343 T347V343-Q345 PolarHBondContact O-N 3.41Å; Q345-T347 PolarHBondContact O-N 3.48Å
346P67.5Low70.5Confident78 Ų78130.6 Ų130.651%0.50663%0.626SS.*  trans-65.198.1177.4-18.533.1000108.7W344 Y350W344-P346 VanDerWaalsContact O-CD 3.26Å; W344-P346 WeakPolarHBondContact O-CD 3.4Å; P346-Y350 HydrophobicContact CB-CD1 3.89Å; P346-Y350 HydrophobicContact CB-CE1 4.27Å
347T79.1Confident72.6Confident92 Ų92130.3 Ų130.356%0.56462%0.616SS**  trans-52.6145.7173.156.70000109.8Q345 R349 Y350 A351Q345-T347 PolarHBondContact O-N 3.48Å; T347-R349 PolarHBondContact O-N 3.32Å; T347-Y350 CarbonylContact O-C 3.59Å; T347-Y350 WeakPolarHBondContact O-CA 3.46Å; T347-Y350 WeakPolarHBondContact O-CB 3.5Å; T347-Y350 PolarHBondContact O-N 2.9Å; T347-Y350 WeakPolarHBondContact OG1-CB 3.46Å; T347-Y350 PolarHBondContact OG1-N 3.24Å; T347-A351 PolarHBondContact O-N 3.31Å
348D82.5Confident74.7Confident143 Ų143129.9 Ų129.977%0.76561%0.614SS**Hα-helixtrans-54.6-35.3-179.2-66-40.7000112Y350 A351 E352D348-Y350 VanDerWaalsContact C-N 3.31Å; D348-Y350 PolarHBondContact O-N 2.96Å; D348-A351 PolarHBondContact O-N 3.17Å; D348-E352 WeakPolarHBondContact O-CB 3.3Å; D348-E352 PolarHBondContact O-N 3.32Å
349R83.1Confident76.2Confident201 Ų201127.3 Ų127.376%0.75859%0.59SS**Hα-helixtrans-60.6-35.2173.2-165.8-179.8-171.5-164.35.6113.3T347 R353T347-R349 PolarHBondContact O-N 3.32Å; R349-R353 VanDerWaalsContact O-CB 3.32Å; R349-R353 WeakPolarHBondContact O-CB 3.22Å; R349-R353 PolarHBondContact O-N 3.37Å
350Y85.2Confident77.6Confident82 Ų82124.3 Ų124.332%0.32258%0.578SS.*Hα-helixtrans-78.2-43.1174172.3-91.1000112P346 T347 D348 E352 R353 R354P346-Y350 HydrophobicContact CB-CD1 3.89Å; P346-Y350 HydrophobicContact CB-CE1 4.27Å; T347-Y350 CarbonylContact O-C 3.59Å; T347-Y350 WeakPolarHBondContact O-CA 3.46Å; T347-Y350 WeakPolarHBondContact O-CB 3.5Å; T347-Y350 PolarHBondContact O-N 2.9Å; T347-Y350 WeakPolarHBondContact OG1-CB 3.46Å; T347-Y350 PolarHBondContact OG1-N 3.24Å; D348-Y350 VanDerWaalsContact C-N 3.31Å; D348-Y350 PolarHBondContact O-N 2.96Å; Y350-E352 VanDerWaalsContact C-N 3.3Å; Y350-E352 PolarHBondContact O-N 2.74Å; Y350-R353 PolarHBondContact O-N 3.4Å; Y350-R354 HydrophobicContact CD1-CG 4.14Å; Y350-R354 HydrophobicContact CD2-CG 4.49Å; Y350-R354 HydrophobicContact CE1-CG 3.79Å; Y350-R354 HydrophobicContact CE2-CG 4.15Å; Y350-R354 WeakPolarHBondContact O-CB 3.26Å; Y350-R354 WeakPolarHBondContact O-CG 3.42Å; Y350-R354 PolarHBondContact O-N 3.1Å; Y350-R354 PolarHBondContact OH-NE 3.07Å; Y350-R354 VanDerWaalsContact OH-NE 3.13Å; Y350-R354 PolarHBondContact OH-NH2 3.47Å
351A83.2Confident79.6Confident47 Ų47117.9 Ų117.939%0.38855%0.554SS.*Hα-helixtrans-56.6-46.8175.500000110.9T347 D348 R354 R355T347-A351 PolarHBondContact O-N 3.31Å; D348-A351 PolarHBondContact O-N 3.17Å; A351-R354 WeakPolarHBondContact O-CB 3.23Å; A351-R354 PolarHBondContact O-N 3.35Å; A351-R355 PolarHBondContact O-N 3.44Å
352E88.6Confident81.9Confident43 Ų43114.9 Ų114.920%0.20155%0.547CS..Hα-helixtrans-66.8-40177.517857.1-167.600112.8D348 Y350 R354 R355 R356D348-E352 WeakPolarHBondContact O-CB 3.3Å; D348-E352 PolarHBondContact O-N 3.32Å; Y350-E352 VanDerWaalsContact C-N 3.3Å; Y350-E352 PolarHBondContact O-N 2.74Å; E352-R354 VanDerWaalsContact C-N 3.31Å; E352-R354 PolarHBondContact O-N 3Å; E352-R355 WeakPolarHBondContact O-CB 3.27Å; E352-R355 PolarHBondContact O-N 2.9Å; E352-R355 IonicContact OE1-CZ 2.96Å; E352-R355 IonicContact OE1-NE 3.6Å; E352-R355 IonicContact OE1-NH2 2.93Å; E352-R355 PolarHBondContact OE1-NH2 3.25Å; E352-R355 IonicContact OE2-CZ 2.8Å; E352-R355 IonicContact OE2-NE 2.95Å; E352-R355 PolarHBondContact OE2-NE 3.2Å; E352-R355 IonicContact OE2-NH2 2.75Å; E352-R355 PolarHBondContact OE2-NH2 3.15Å; E352-R356 VanDerWaalsContact CG-CZ 3.43Å; E352-R356 WeakPolarHBondContact O-CG 3.48Å; E352-R356 PolarHBondContact O-N 2.9Å; E352-R356 IonicContact OE1-CZ 3.72Å; E352-R356 IonicContact OE1-NE 2.76Å; E352-R356 PolarHBondContact OE1-NE 3.11Å; E352-R356 IonicContact OE1-NH2 3.36Å; E352-R356 PolarHBondContact OE1-NH2 3.38Å
353R90.1Very high83.4Confident162 Ų162115.6 Ų115.661%0.61154%0.538SS*.Hα-helixtrans-61.3-40.2172.6-173.4-173.2-63.7-111.45.5111.4R349 Y350 N357R349-R353 VanDerWaalsContact O-CB 3.32Å; R349-R353 WeakPolarHBondContact O-CB 3.22Å; R349-R353 PolarHBondContact O-N 3.37Å; Y350-R353 PolarHBondContact O-N 3.4Å; R353-N357 WeakPolarHBondContact O-CB 3.36Å; R353-N357 PolarHBondContact O-N 3.27Å
354R90.4Very high85.2Confident129 Ų129114 Ų11449%0.48753%0.531SS..Hα-helixtrans-67.6-40.2175.1-73.6-65-166.7132.6-1.6111.8Y350 A351 E352 N357 N358Y350-R354 HydrophobicContact CD1-CG 4.14Å; Y350-R354 HydrophobicContact CD2-CG 4.49Å; Y350-R354 HydrophobicContact CE1-CG 3.79Å; Y350-R354 HydrophobicContact CE2-CG 4.15Å; Y350-R354 WeakPolarHBondContact O-CB 3.26Å; Y350-R354 WeakPolarHBondContact O-CG 3.42Å; Y350-R354 PolarHBondContact O-N 3.1Å; Y350-R354 PolarHBondContact OH-NE 3.07Å; Y350-R354 VanDerWaalsContact OH-NE 3.13Å; Y350-R354 PolarHBondContact OH-NH2 3.47Å; A351-R354 WeakPolarHBondContact O-CB 3.23Å; A351-R354 PolarHBondContact O-N 3.35Å; E352-R354 VanDerWaalsContact C-N 3.31Å; E352-R354 PolarHBondContact O-N 3Å; R354-N357 PolarHBondContact O-N 2.84Å; R354-N358 WeakPolarHBondContact O-CB 3.23Å; R354-N358 VanDerWaalsContact O-CG 3.24Å; R354-N358 PolarHBondContact O-N 3.43Å; R354-N358 PolarHBondContact O-ND2 3.36Å
355R93Very high86.8Confident152 Ų152111.5 Ų111.557%0.57452%0.522SS*.Hα-helixtrans-54.9-56.6173.3-172.1176.972.7145.42.6110.6A351 E352 N357 N358 E359A351-R355 PolarHBondContact O-N 3.44Å; E352-R355 WeakPolarHBondContact O-CB 3.27Å; E352-R355 PolarHBondContact O-N 2.9Å; E352-R355 IonicContact OE1-CZ 2.96Å; E352-R355 IonicContact OE1-NE 3.6Å; E352-R355 IonicContact OE1-NH2 2.93Å; E352-R355 PolarHBondContact OE1-NH2 3.25Å; E352-R355 IonicContact OE2-CZ 2.8Å; E352-R355 IonicContact OE2-NE 2.95Å; E352-R355 PolarHBondContact OE2-NE 3.2Å; E352-R355 IonicContact OE2-NH2 2.75Å; E352-R355 PolarHBondContact OE2-NH2 3.15Å; R355-N357 PolarHBondContact O-N 2.98Å; R355-N358 PolarHBondContact O-N 3.32Å; R355-E359 WeakPolarHBondContact O-CB 3.32Å; R355-E359 PolarHBondContact O-N 3.42Å
356R93.2Very high88.2Confident152 Ų152107 Ų10757%0.57451%0.509SS*.Hα-helixtrans-61-39.9179.7-65.2178.1-162.4150.41.8113.1E352 E359 A360E352-R356 VanDerWaalsContact CG-CZ 3.43Å; E352-R356 WeakPolarHBondContact O-CG 3.48Å; E352-R356 PolarHBondContact O-N 2.9Å; E352-R356 IonicContact OE1-CZ 3.72Å; E352-R356 IonicContact OE1-NE 2.76Å; E352-R356 PolarHBondContact OE1-NE 3.11Å; E352-R356 IonicContact OE1-NH2 3.36Å; E352-R356 PolarHBondContact OE1-NH2 3.38Å; R356-E359 PolarHBondContact O-N 2.85Å; R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.47Å; R356-A360 PolarHBondContact O-N 3.5Å
357N96.2Very high89.3Confident101 Ų101108.7 Ų108.754%0.5451%0.514SS..Hα-helixtrans-67.7-40.5177.5-175.1-105.7000112.4R353 R354 R355 E359 A360 A361R353-N357 WeakPolarHBondContact O-CB 3.36Å; R353-N357 PolarHBondContact O-N 3.27Å; R354-N357 PolarHBondContact O-N 2.84Å; R355-N357 PolarHBondContact O-N 2.98Å; N357-E359 VanDerWaalsContact C-N 3.33Å; N357-A360 PolarHBondContact O-N 3.4Å; N357-A361 VanDerWaalsContact O-CB 3.26Å; N357-A361 WeakPolarHBondContact O-CB 3.22Å; N357-A361 PolarHBondContact O-N 3.04Å
358N95.9Very high89.8Confident90 Ų90110.8 Ų110.848%0.48151%0.511SS..Hα-helixtrans-63.8-39.8174.4-73.8-20.2000111.6R354 R355 A361 K362R354-N358 WeakPolarHBondContact O-CB 3.23Å; R354-N358 VanDerWaalsContact O-CG 3.24Å; R354-N358 PolarHBondContact O-N 3.43Å; R354-N358 PolarHBondContact O-ND2 3.36Å; R355-N358 PolarHBondContact O-N 3.32Å; N358-A361 PolarHBondContact O-N 3.38Å; N358-K362 WeakPolarHBondContact O-CG 3.47Å; N358-K362 PolarHBondContact O-N 2.87Å
359E91.8Very high90.1Very high76 Ų76111.1 Ų111.136%0.35550%0.502SS..Hα-helixtrans-66.5-46.4176.5-161.4-169.8151.600111.9R355 R356 N357 A361 K362 R363R355-E359 WeakPolarHBondContact O-CB 3.32Å; R355-E359 PolarHBondContact O-N 3.42Å; R356-E359 PolarHBondContact O-N 2.85Å; N357-E359 VanDerWaalsContact C-N 3.33Å; E359-A361 VanDerWaalsContact C-N 3.31Å; E359-A361 PolarHBondContact O-N 3.23Å; E359-K362 WeakPolarHBondContact O-CB 3.48Å; E359-K362 PolarHBondContact O-N 2.93Å; E359-R363 VanDerWaalsContact CD-NH1 3.33Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 IonicContact OE1-CZ 2.69Å; E359-R363 IonicContact OE1-NH1 3.13Å; E359-R363 PolarHBondContact OE1-NH1 2.95Å; E359-R363 IonicContact OE1-NH2 3.34Å; E359-R363 PolarHBondContact OE1-NH2 3.34Å
360A91Very high90.4Very high52 Ų52103.8 Ų103.843%0.4349%0.485SS..Hα-helixtrans-61-38.7172.600000112R356 N357 R363 C364R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.47Å; R356-A360 PolarHBondContact O-N 3.5Å; N357-A360 PolarHBondContact O-N 3.4Å; A360-R363 PolarHBondContact O-N 3.34Å; A360-C364 VanDerWaalsContact O-CB 3.22Å; A360-C364 WeakPolarHBondContact O-CB 3.43Å; A360-C364 PolarHBondContact O-N 3.26Å
361A94.3Very high90.4Very high35 Ų35103.7 Ų103.729%0.28949%0.489SS..Hα-helixtrans-67.1-37.1174.600000112.5N357 N358 E359 R365N357-A361 VanDerWaalsContact O-CB 3.26Å; N357-A361 WeakPolarHBondContact O-CB 3.22Å; N357-A361 PolarHBondContact O-N 3.04Å; N358-A361 PolarHBondContact O-N 3.38Å; E359-A361 VanDerWaalsContact C-N 3.31Å; E359-A361 PolarHBondContact O-N 3.23Å; A361-R365 WeakPolarHBondContact O-CB 3.42Å; A361-R365 VanDerWaalsContact O-CG 3.23Å; A361-R365 WeakPolarHBondContact O-CG 3.44Å; A361-R365 PolarHBondContact O-N 3.13Å
362K93.7Very high90.6Very high158 Ų158108.3 Ų108.369%0.68750%0.498SS*.Hα-helixtrans-61.4-50.5170.7-75.7175.4178.7-176.30110.7N358 E359 R365 A366N358-K362 WeakPolarHBondContact O-CG 3.47Å; N358-K362 PolarHBondContact O-N 2.87Å; E359-K362 WeakPolarHBondContact O-CB 3.48Å; E359-K362 PolarHBondContact O-N 2.93Å; K362-R365 PolarHBondContact O-N 2.98Å; K362-A366 PolarHBondContact O-N 2.96Å
363R86.7Confident90.2Very high159 Ų159111.5 Ų111.560%0.651%0.513SS*.Hα-helixtrans-60.2-45.3177.2-71.4-166.7-179.593.910.7112.6E359 A360 R365 A366 N367E359-R363 VanDerWaalsContact CD-NH1 3.33Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 IonicContact OE1-CZ 2.69Å; E359-R363 IonicContact OE1-NH1 3.13Å; E359-R363 PolarHBondContact OE1-NH1 2.95Å; E359-R363 IonicContact OE1-NH2 3.34Å; E359-R363 PolarHBondContact OE1-NH2 3.34Å; A360-R363 PolarHBondContact O-N 3.34Å; R363-R365 VanDerWaalsContact C-N 3.35Å; R363-R365 PolarHBondContact O-N 3.06Å; R363-A366 PolarHBondContact O-N 3.23Å; R363-A366 VanDerWaalsContact O-N 3.15Å; R363-N367 WeakPolarHBondContact O-CB 3.37Å; R363-N367 PolarHBondContact O-N 3.07Å
364C88.7Confident90Very high74 Ų74107.3 Ų107.350%0.551%0.508SS..Hα-helixtrans-59.5-42.5176.5177.10000112.2A360 R368A360-C364 VanDerWaalsContact O-CB 3.22Å; A360-C364 WeakPolarHBondContact O-CB 3.43Å; A360-C364 PolarHBondContact O-N 3.26Å; C364-R368 WeakPolarHBondContact O-CB 3.46Å; C364-R368 PolarHBondContact O-N 2.91Å
365R89.5Confident89.8Confident170 Ų170105.4 Ų105.464%0.64250%0.501SS*.Hα-helixtrans-66-38.8174.1-71.6171.1-176-168.41.8112.3A361 K362 R363 R369A361-R365 WeakPolarHBondContact O-CB 3.42Å; A361-R365 VanDerWaalsContact O-CG 3.23Å; A361-R365 WeakPolarHBondContact O-CG 3.44Å; A361-R365 PolarHBondContact O-N 3.13Å; K362-R365 PolarHBondContact O-N 2.98Å; R363-R365 VanDerWaalsContact C-N 3.35Å; R363-R365 PolarHBondContact O-N 3.06Å; R365-R369 WeakPolarHBondContact O-CG 3.3Å; R365-R369 PolarHBondContact O-N 3.28Å
366A89.4Confident89.7Confident50 Ų50105.3 Ų105.341%0.41350%0.502SS..Hα-helixtrans-67.1-50.4177.500000112K362 R363 R368 R369 A370K362-A366 PolarHBondContact O-N 2.96Å; R363-A366 PolarHBondContact O-N 3.23Å; R363-A366 VanDerWaalsContact O-N 3.15Å; A366-R368 VanDerWaalsContact C-N 3.32Å; A366-R368 PolarHBondContact O-N 2.92Å; A366-R369 PolarHBondContact O-N 3.44Å; A366-A370 PolarHBondContact O-N 3.07Å
367N89.7Confident89.5Confident115 Ų115104.8 Ų104.862%0.61550%0.504SS*.Hα-helixtrans-56-45.2175.6177.2-61.4000111.1R363 R369 A370 L371R363-N367 WeakPolarHBondContact O-CB 3.37Å; R363-N367 PolarHBondContact O-N 3.07Å; N367-R369 VanDerWaalsContact C-N 3.33Å; N367-R369 PolarHBondContact O-N 3.48Å; N367-A370 PolarHBondContact O-N 2.75Å; N367-L371 WeakPolarHBondContact O-CB 3.36Å; N367-L371 PolarHBondContact O-N 2.91Å
368R89.3Confident89.2Confident135 Ų135104.9 Ų104.951%0.50950%0.496SS..Hα-helixtrans-57.7-41.2175.2-178-179.7-64.9-166.4-0.3113C364 A366 Y372C364-R368 WeakPolarHBondContact O-CB 3.46Å; C364-R368 PolarHBondContact O-N 2.91Å; A366-R368 VanDerWaalsContact C-N 3.32Å; A366-R368 PolarHBondContact O-N 2.92Å; R368-Y372 HydrophobicContact CG-CD2 3.83Å; R368-Y372 HydrophobicContact CG-CE2 3.44Å; R368-Y372 VanDerWaalsContact CG-CE2 3.44Å; R368-Y372 WeakPolarHBondContact O-CD2 3.24Å; R368-Y372 PolarHBondContact O-N 3.07Å; R368-Y372 VanDerWaalsContact O-N 3.13Å
369R89.3Confident88.9Confident150 Ų150104 Ų10457%0.56649%0.494SS*.Hα-helixtrans-65.9-48.9176-70.1-177.8-163.2115.7-9.4111.1R365 A366 N367 L371 Y372 E373R365-R369 WeakPolarHBondContact O-CG 3.3Å; R365-R369 PolarHBondContact O-N 3.28Å; A366-R369 PolarHBondContact O-N 3.44Å; N367-R369 VanDerWaalsContact C-N 3.33Å; N367-R369 PolarHBondContact O-N 3.48Å; R369-L371 VanDerWaalsContact C-N 3.29Å; R369-L371 PolarHBondContact O-N 2.77Å; R369-Y372 PolarHBondContact O-N 3.08Å; R369-Y372 VanDerWaalsContact O-N 3.08Å; R369-E373 WeakPolarHBondContact O-CG 3.32Å; R369-E373 PolarHBondContact O-N 3.47Å
370A88.6Confident88.9Confident48 Ų48103 Ų10340%0.39749%0.489SS..Hα-helixtrans-57.5-40.8177.600000112.2A366 N367 E373 S374A366-A370 PolarHBondContact O-N 3.07Å; N367-A370 PolarHBondContact O-N 2.75Å; A370-E373 PolarHBondContact O-N 3.3Å; A370-S374 WeakPolarHBondContact O-CB 3.28Å; A370-S374 PolarHBondContact O-N 3.36Å; A370-S374 PolarHBondContact O-OG 3.29Å
371L84.8Confident88.9Confident80 Ų80104.4 Ų104.442%0.41949%0.487SS..Hα-helixtrans-63.4-43.5174.9-176.764.4000112.1N367 R369 S374 R375N367-L371 WeakPolarHBondContact O-CB 3.36Å; N367-L371 PolarHBondContact O-N 2.91Å; R369-L371 VanDerWaalsContact C-N 3.29Å; R369-L371 PolarHBondContact O-N 2.77Å; L371-S374 PolarHBondContact O-N 3.45Å; L371-R375 HydrophobicContact CD1-CG 4.5Å; L371-R375 WeakPolarHBondContact O-CB 3.4Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 2.89Å
372Y87.3Confident88.6Confident143 Ų143104.9 Ų104.956%0.56148%0.484SS*.Hα-helixtrans-65.6-40.8175.2-74.9-52.5000112.4R368 R369 R375 Y376R368-Y372 HydrophobicContact CG-CD2 3.83Å; R368-Y372 HydrophobicContact CG-CE2 3.44Å; R368-Y372 VanDerWaalsContact CG-CE2 3.44Å; R368-Y372 WeakPolarHBondContact O-CD2 3.24Å; R368-Y372 PolarHBondContact O-N 3.07Å; R368-Y372 VanDerWaalsContact O-N 3.13Å; R369-Y372 PolarHBondContact O-N 3.08Å; R369-Y372 VanDerWaalsContact O-N 3.08Å; Y372-R375 PolarHBondContact O-N 3.44Å; Y372-Y376 VanDerWaalsContact O-CB 3.23Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.82Å
373E82.1Confident88.5Confident110 Ų110103 Ų10351%0.51448%0.478SS..Hα-helixtrans-63.3-42.3175.6-72.8167.6-15100111.7R369 A370 Y376 K377R369-E373 WeakPolarHBondContact O-CG 3.32Å; R369-E373 PolarHBondContact O-N 3.47Å; A370-E373 PolarHBondContact O-N 3.3Å; E373-Y376 PolarHBondContact O-N 3.13Å; E373-K377 WeakPolarHBondContact O-CB 3.32Å; E373-K377 WeakPolarHBondContact O-CG 3.24Å; E373-K377 PolarHBondContact O-N 3.15Å
374S84Confident88.9Confident74 Ų74102.9 Ų102.952%0.51748%0.478SS..Hα-helixtrans-66.4-45.5175.3-64.40000112.3A370 L371 Y376 K377 R378A370-S374 WeakPolarHBondContact O-CB 3.28Å; A370-S374 PolarHBondContact O-N 3.36Å; A370-S374 PolarHBondContact O-OG 3.29Å; L371-S374 PolarHBondContact O-N 3.45Å; S374-Y376 VanDerWaalsContact C-N 3.32Å; S374-Y376 PolarHBondContact O-N 2.85Å; S374-K377 PolarHBondContact O-N 3.19Å; S374-R378 PolarHBondContact O-N 3.42Å
375R87.8Confident89.1Confident89 Ų89102 Ų10234%0.33647%0.466SS..Hα-helixtrans-59-43.5173.6-74.6-176.7-178.8-1744.3110.8D78 L371 Y372 R378 V379D78-R375 IonicContact OD1-CZ 3.02Å; D78-R375 IonicContact OD1-NH1 2.69Å; D78-R375 PolarHBondContact OD1-NH1 2.86Å; D78-R375 IonicContact OD1-NH2 2.73Å; D78-R375 PolarHBondContact OD1-NH2 2.88Å; L371-R375 HydrophobicContact CD1-CG 4.5Å; L371-R375 WeakPolarHBondContact O-CB 3.4Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 2.89Å; Y372-R375 PolarHBondContact O-N 3.44Å; R375-R378 PolarHBondContact O-N 3.48Å; R375-V379 WeakPolarHBondContact O-CG2 3.35Å; R375-V379 PolarHBondContact O-N 3.05Å
376Y89.9Confident89.2Confident151 Ų15197.8 Ų97.859%0.59246%0.457SS*.Hα-helixtrans-63.6-44.3177.5-178.5-108000112.9Y372 E373 S374 R378 V379 Q380Y372-Y376 VanDerWaalsContact O-CB 3.23Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.82Å; E373-Y376 PolarHBondContact O-N 3.13Å; S374-Y376 VanDerWaalsContact C-N 3.32Å; S374-Y376 PolarHBondContact O-N 2.85Å; Y376-R378 PolarHBondContact O-N 2.98Å; Y376-V379 PolarHBondContact O-N 2.79Å; Y376-Q380 HydrophobicContact CE1-CG 4.43Å; Y376-Q380 VanDerWaalsContact CZ-NE2 3.31Å; Y376-Q380 PolarHBondContact O-N 2.87Å; Y376-Q380 PolarHBondContact OH-NE2 2.79Å; Y376-Q380 VanDerWaalsContact OH-NE2 3.08Å
377K88.5Confident89.4Confident141 Ų14198.3 Ų98.361%0.61346%0.461SS*.Hα-helixtrans-61.1-42174-75.4175.3-179.2178.80112.1E373 S374 Q380 Q381E373-K377 WeakPolarHBondContact O-CB 3.32Å; E373-K377 WeakPolarHBondContact O-CG 3.24Å; E373-K377 PolarHBondContact O-N 3.15Å; S374-K377 PolarHBondContact O-N 3.19Å; K377-Q380 PolarHBondContact O-N 3.07Å; K377-Q381 PolarHBondContact O-N 3.19Å
378R90.9Very high89.8Confident103 Ų103100.5 Ų100.539%0.38946%0.46SS..Hα-helixtrans-66.1-38.9177.4-175.957.8177.1150.75.5112.1S374 R375 Y376 Q381 L382 E385S374-R378 PolarHBondContact O-N 3.42Å; R375-R378 PolarHBondContact O-N 3.48Å; Y376-R378 PolarHBondContact O-N 2.98Å; R378-Q381 PolarHBondContact O-N 3.43Å; R378-L382 HydrophobicContact CG-CD1 4.14Å; R378-L382 HydrophobicContact CG-CG 4.49Å; R378-L382 WeakPolarHBondContact O-CB 3.32Å; R378-L382 WeakPolarHBondContact O-CG 3.37Å; R378-L382 PolarHBondContact O-N 3.24Å; R378-E385 IonicContact NH1-OE2 2.7Å
379V89.4Confident90Very high72 Ų7297.3 Ų97.344%0.43645%0.453SS..Hα-helixtrans-59.4-50.5172.6169.80000110.7R375 Y376 Q381 L382 E383R375-V379 WeakPolarHBondContact O-CG2 3.35Å; R375-V379 PolarHBondContact O-N 3.05Å; Y376-V379 PolarHBondContact O-N 2.79Å; V379-Q381 VanDerWaalsContact C-N 3.26Å; V379-Q381 PolarHBondContact O-N 2.73Å; V379-L382 PolarHBondContact O-N 3.25Å; V379-E383 HydrophobicContact CG1-CG 4.35Å; V379-E383 WeakPolarHBondContact O-CG 3.24Å; V379-E383 PolarHBondContact O-N 3.4Å
380Q91.9Very high90.2Very high53 Ų5397.3 Ų97.325%0.24846%0.457CS..Hα-helixtrans-60-34.5176.2-69.4-1680.400113.5Y376 K377 R384Y376-Q380 HydrophobicContact CE1-CG 4.43Å; Y376-Q380 VanDerWaalsContact CZ-NE2 3.31Å; Y376-Q380 PolarHBondContact O-N 2.87Å; Y376-Q380 PolarHBondContact OH-NE2 2.79Å; Y376-Q380 VanDerWaalsContact OH-NE2 3.08Å; K377-Q380 PolarHBondContact O-N 3.07Å; Q380-R384 WeakPolarHBondContact O-CG 3.43Å; Q380-R384 PolarHBondContact O-N 3.49Å; Q380-R384 PolarHBondContact O-NH1 2.72Å
381Q91.6Very high90.6Very high83 Ų8397.6 Ų97.639%0.38846%0.459SS..Hα-helixtrans-66.3-49175.7-175.7-172.21.900110.7K377 R378 V379 E383 R384 E385K377-Q381 PolarHBondContact O-N 3.19Å; R378-Q381 PolarHBondContact O-N 3.43Å; V379-Q381 VanDerWaalsContact C-N 3.26Å; V379-Q381 PolarHBondContact O-N 2.73Å; Q381-E383 VanDerWaalsContact C-N 3.3Å; Q381-E383 PolarHBondContact O-N 2.86Å; Q381-R384 PolarHBondContact O-N 3.04Å; Q381-R384 VanDerWaalsContact O-N 3.15Å; Q381-E385 HydrophobicContact CG-CG 4.48Å; Q381-E385 VanDerWaalsContact CG-OE1 3.28Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.37Å; Q381-E385 PolarHBondContact NE2-OE1 3.33Å; Q381-E385 WeakPolarHBondContact O-CG 3.28Å; Q381-E385 PolarHBondContact O-N 2.94Å
382L87.8Confident91.2Very high44 Ų4497.1 Ų97.123%0.2346%0.455CS..Hα-helixtrans-62.1-36.1177.3-73.2171.5000112.2R378 V379 E385 N386R378-L382 HydrophobicContact CG-CD1 4.14Å; R378-L382 HydrophobicContact CG-CG 4.49Å; R378-L382 WeakPolarHBondContact O-CB 3.32Å; R378-L382 WeakPolarHBondContact O-CG 3.37Å; R378-L382 PolarHBondContact O-N 3.24Å; V379-L382 PolarHBondContact O-N 3.25Å; L382-E385 PolarHBondContact O-N 3.44Å; L382-N386 WeakPolarHBondContact O-CB 3.5Å; L382-N386 PolarHBondContact O-N 2.71Å; L382-N386 PolarHBondContact O-ND2 2.85Å
383E90.9Very high91.6Very high120 Ų12092.3 Ų92.356%0.56145%0.445SS*.Hα-helixtrans-61.2-43.3172.9-74.1170.1165.700111.9V379 Q381 A387V379-E383 HydrophobicContact CG1-CG 4.35Å; V379-E383 WeakPolarHBondContact O-CG 3.24Å; V379-E383 PolarHBondContact O-N 3.4Å; Q381-E383 VanDerWaalsContact C-N 3.3Å; Q381-E383 PolarHBondContact O-N 2.86Å; E383-A387 VanDerWaalsContact O-CB 3.32Å; E383-A387 WeakPolarHBondContact O-CB 3.25Å; E383-A387 PolarHBondContact O-N 2.83Å
384R94.9Very high92.3Very high155 Ų15590.9 Ų90.959%0.58544%0.444SS*.Hα-helixtrans-68-43.8175.6-67.2176.4-164.4103.83112.2Q380 Q381 A387 R388Q380-R384 WeakPolarHBondContact O-CG 3.43Å; Q380-R384 PolarHBondContact O-N 3.49Å; Q380-R384 PolarHBondContact O-NH1 2.72Å; Q381-R384 PolarHBondContact O-N 3.04Å; Q381-R384 VanDerWaalsContact O-N 3.15Å; R384-A387 PolarHBondContact O-N 2.84Å; R384-R388 PolarHBondContact O-N 3.13Å
385E93.4Very high92.9Very high55 Ų5592.5 Ų92.526%0.25744%0.443SS..Hα-helixtrans-63.4-45.8178-74.6169.9-172.700110.9R378 Q381 L382 A387 R388 I389R378-E385 IonicContact NH1-OE2 2.7Å; Q381-E385 HydrophobicContact CG-CG 4.48Å; Q381-E385 VanDerWaalsContact CG-OE1 3.28Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.37Å; Q381-E385 PolarHBondContact NE2-OE1 3.33Å; Q381-E385 WeakPolarHBondContact O-CG 3.28Å; Q381-E385 PolarHBondContact O-N 2.94Å; L382-E385 PolarHBondContact O-N 3.44Å; E385-A387 PolarHBondContact O-N 3.19Å; E385-R388 PolarHBondContact O-N 2.99Å; E385-I389 WeakPolarHBondContact O-CG1 3.25Å; E385-I389 PolarHBondContact O-N 2.99Å
386N91.3Very high93.3Very high83 Ų8392.1 Ų92.144%0.44445%0.447SS..Hα-helixtrans-64.7-36.6175.7-73-20.7000112.5L382 K390L382-N386 WeakPolarHBondContact O-CB 3.5Å; L382-N386 PolarHBondContact O-N 2.71Å; L382-N386 PolarHBondContact O-ND2 2.85Å; N386-K390 WeakPolarHBondContact O-CB 3.49Å; N386-K390 VanDerWaalsContact O-CG 3.26Å; N386-K390 WeakPolarHBondContact O-CG 3.47Å; N386-K390 PolarHBondContact O-N 3.38Å
387A94.5Very high93.6Very high60 Ų6090 Ų9050%0.49645%0.446SS..Hα-helixtrans-64-41.7173.700000111.6E383 R384 E385 A391E383-A387 VanDerWaalsContact O-CB 3.32Å; E383-A387 WeakPolarHBondContact O-CB 3.25Å; E383-A387 PolarHBondContact O-N 2.83Å; R384-A387 PolarHBondContact O-N 2.84Å; E385-A387 PolarHBondContact O-N 3.19Å; A387-A391 PolarHBondContact O-N 2.94Å
388R97.5Very high94Very high162 Ų16288.9 Ų88.961%0.61144%0.443SS*.Hα-helixtrans-63.8-49.1175.1-170-171.972.4-161.3-2.6111.8R384 E385 K390 A391 E392R384-R388 PolarHBondContact O-N 3.13Å; E385-R388 PolarHBondContact O-N 2.99Å; R388-K390 VanDerWaalsContact C-N 3.29Å; R388-K390 PolarHBondContact O-N 3.42Å; R388-A391 WeakPolarHBondContact O-CB 3.26Å; R388-A391 PolarHBondContact O-N 2.69Å; R388-A391 VanDerWaalsContact O-N 3.13Å; R388-E392 WeakPolarHBondContact O-CB 3.44Å; R388-E392 PolarHBondContact O-N 2.64Å
389I93.2Very high94.3Very high68 Ų6887.9 Ų87.935%0.34944%0.443SS..Hα-helixtrans-60.4-40.4179.6-68164.3000110.7E385 E392 A393E385-I389 WeakPolarHBondContact O-CG1 3.25Å; E385-I389 PolarHBondContact O-N 2.99Å; I389-E392 PolarHBondContact O-N 2.97Å; I389-A393 VanDerWaalsContact O-CB 3.3Å; I389-A393 WeakPolarHBondContact O-CB 3.32Å; I389-A393 PolarHBondContact O-N 3.37Å
390K94.1Very high94.6Very high150 Ų15088.9 Ų88.965%0.65245%0.445SS*.Hα-helixtrans-62.9-42.8174.3-75.7176.7179.7-171.90112.4N386 R388 A393 T394N386-K390 WeakPolarHBondContact O-CB 3.49Å; N386-K390 VanDerWaalsContact O-CG 3.26Å; N386-K390 WeakPolarHBondContact O-CG 3.47Å; N386-K390 PolarHBondContact O-N 3.38Å; R388-K390 VanDerWaalsContact C-N 3.29Å; R388-K390 PolarHBondContact O-N 3.42Å; K390-A393 PolarHBondContact O-N 3.27Å; K390-T394 WeakPolarHBondContact O-CG2 3.19Å; K390-T394 PolarHBondContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 3Å
391A96.6Very high94.7Very high54 Ų5491.7 Ų91.745%0.44646%0.458SS..Hα-helixtrans-63.4-46.4176.600000111.9A387 R388 A393 T394 Q395A387-A391 PolarHBondContact O-N 2.94Å; R388-A391 WeakPolarHBondContact O-CB 3.26Å; R388-A391 PolarHBondContact O-N 2.69Å; R388-A391 VanDerWaalsContact O-N 3.13Å; A391-A393 PolarHBondContact O-N 3.02Å; A391-T394 WeakPolarHBondContact CA-OG1 3.18Å; A391-T394 PolarHBondContact O-N 2.94Å; A391-T394 VanDerWaalsContact O-N 3.16Å; A391-T394 PolarHBondContact O-OG1 3.19Å; A391-Q395 PolarHBondContact O-N 3.43Å
392E97.3Very high94.9Very high70 Ų7093.7 Ų93.733%0.32747%0.468SS..Hα-helixtrans-59.7-45.7176.3-172.3171.1-176.100111.4R388 I389 T394 Q395 L396R388-E392 WeakPolarHBondContact O-CB 3.44Å; R388-E392 PolarHBondContact O-N 2.64Å; I389-E392 PolarHBondContact O-N 2.97Å; E392-T394 PolarHBondContact O-N 3.29Å; E392-Q395 PolarHBondContact O-N 2.96Å; E392-L396 HydrophobicContact CG-CD1 4.38Å; E392-L396 WeakPolarHBondContact O-CG 3.31Å; E392-L396 PolarHBondContact O-N 2.94Å
393A95Very high95.2Very high42 Ų4296.6 Ų96.635%0.34748%0.483SS..Hα-helixtrans-62.1-38.7173.800000112.7I389 K390 A391 N397I389-A393 VanDerWaalsContact O-CB 3.3Å; I389-A393 WeakPolarHBondContact O-CB 3.32Å; I389-A393 PolarHBondContact O-N 3.37Å; K390-A393 PolarHBondContact O-N 3.27Å; A391-A393 PolarHBondContact O-N 3.02Å; A393-N397 WeakPolarHBondContact O-CB 3.4Å; A393-N397 PolarHBondContact O-N 2.88Å; A393-N397 VanDerWaalsContact O-N 3.07Å; A393-N397 PolarHBondContact O-ND2 3.4Å
394T97.2Very high95.2Very high80 Ų8098.9 Ų98.949%0.49149%0.486SS..Hα-helixtrans-67.9-34.9174.653.30000112.9K390 A391 E392 Q398K390-T394 WeakPolarHBondContact O-CG2 3.19Å; K390-T394 PolarHBondContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 3Å; A391-T394 WeakPolarHBondContact CA-OG1 3.18Å; A391-T394 PolarHBondContact O-N 2.94Å; A391-T394 VanDerWaalsContact O-N 3.16Å; A391-T394 PolarHBondContact O-OG1 3.19Å; E392-T394 PolarHBondContact O-N 3.29Å; T394-Q398 VanDerWaalsContact O-CG 3.31Å; T394-Q398 WeakPolarHBondContact O-CG 3.14Å; T394-Q398 PolarHBondContact O-N 2.89Å; T394-Q398 VanDerWaalsContact O-N 3.16Å
395Q97.6Very high95Very high108 Ų10893.1 Ų93.151%0.50547%0.472SS..Hα-helixtrans-66.7-50.5175.3-178.9-176-24.200111A391 E392 N397 Q398 E399A391-Q395 PolarHBondContact O-N 3.43Å; E392-Q395 PolarHBondContact O-N 2.96Å; Q395-N397 VanDerWaalsContact C-N 3.28Å; Q395-N397 PolarHBondContact O-N 2.86Å; Q395-Q398 WeakPolarHBondContact O-CA 3.3Å; Q395-Q398 WeakPolarHBondContact O-CB 3.38Å; Q395-Q398 PolarHBondContact O-N 2.79Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.21Å; Q395-E399 PolarHBondContact NE2-OE1 3.46Å; Q395-E399 PolarHBondContact O-N 3.06Å
396L96.9Very high94.8Very high81 Ų8192.2 Ų92.242%0.42447%0.471SS..Hα-helixtrans-60.3-37.3179.1-69.2172.1000112.1E392 E399 L400E392-L396 HydrophobicContact CG-CD1 4.38Å; E392-L396 WeakPolarHBondContact O-CG 3.31Å; E392-L396 PolarHBondContact O-N 2.94Å; L396-E399 PolarHBondContact O-N 3.28Å; L396-L400 WeakPolarHBondContact O-CB 3.35Å; L396-L400 VanDerWaalsContact O-CG 3.3Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.34Å
397N96Very high94.7Very high105 Ų10593.4 Ų93.456%0.56148%0.477SS*.Hα-helixtrans-64.2-38173-79.7-53.8000112.7A393 Q395 E401A393-N397 WeakPolarHBondContact O-CB 3.4Å; A393-N397 PolarHBondContact O-N 2.88Å; A393-N397 VanDerWaalsContact O-N 3.07Å; A393-N397 PolarHBondContact O-ND2 3.4Å; Q395-N397 VanDerWaalsContact C-N 3.28Å; Q395-N397 PolarHBondContact O-N 2.86Å; N397-E401 WeakPolarHBondContact O-CB 3.42Å; N397-E401 PolarHBondContact O-N 3.01Å
398Q96.9Very high94.3Very high119 Ų11992.4 Ų92.456%0.55647%0.469SS*.Hα-helixtrans-66.8-41.1174.3-69.816825.400111.8T394 Q395 E401 Q402T394-Q398 VanDerWaalsContact O-CG 3.31Å; T394-Q398 WeakPolarHBondContact O-CG 3.14Å; T394-Q398 PolarHBondContact O-N 2.89Å; T394-Q398 VanDerWaalsContact O-N 3.16Å; Q395-Q398 WeakPolarHBondContact O-CA 3.3Å; Q395-Q398 WeakPolarHBondContact O-CB 3.38Å; Q395-Q398 PolarHBondContact O-N 2.79Å; Q398-E401 PolarHBondContact O-N 2.92Å; Q398-Q402 VanDerWaalsContact O-CG 3.24Å; Q398-Q402 WeakPolarHBondContact O-CG 3.27Å; Q398-Q402 PolarHBondContact O-N 3.44Å
399E96.9Very high93.5Very high81 Ų8193.6 Ų93.638%0.37947%0.473SS..Hα-helixtrans-65.3-43.3176.5-70176.1-161.500111.6Q395 L396 E401 Q402 L403Q395-E399 WeakPolarHBondContact CG-OE1 3.21Å; Q395-E399 PolarHBondContact NE2-OE1 3.46Å; Q395-E399 PolarHBondContact O-N 3.06Å; L396-E399 PolarHBondContact O-N 3.28Å; E399-E401 VanDerWaalsContact C-N 3.34Å; E399-E401 PolarHBondContact O-N 3.33Å; E399-Q402 PolarHBondContact O-N 2.79Å; E399-L403 WeakPolarHBondContact O-CG 3.43Å; E399-L403 PolarHBondContact O-N 3.3Å
400L95Very high93Very high94 Ų9498.5 Ų98.549%0.49249%0.492SS..Hα-helixtrans-60.3-41.9173.5-75174.1000112.2L396 L403 R404L396-L400 WeakPolarHBondContact O-CB 3.35Å; L396-L400 VanDerWaalsContact O-CG 3.3Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.34Å; L400-L403 PolarHBondContact O-N 3.46Å; L400-R404 WeakPolarHBondContact O-CB 3.3Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 3.43Å
401E94.8Very high92Very high111 Ų11194 Ų9452%0.51948%0.477SS..Hα-helixtrans-68.7-38.6178.3-168.156.2-153.100111.9N397 Q398 E399 L403 R404 A405N397-E401 WeakPolarHBondContact O-CB 3.42Å; N397-E401 PolarHBondContact O-N 3.01Å; Q398-E401 PolarHBondContact O-N 2.92Å; E399-E401 VanDerWaalsContact C-N 3.34Å; E399-E401 PolarHBondContact O-N 3.33Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.83Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-A405 WeakPolarHBondContact O-CB 3.38Å; E401-A405 PolarHBondContact O-N 3.03Å
402Q95Very high90.8Very high126 Ų12695.4 Ų95.459%0.58948%0.481SS*.Hα-helixtrans-60.9-41.1171.5-72170.335.800112.2Q398 E399 S406Q398-Q402 VanDerWaalsContact O-CG 3.24Å; Q398-Q402 WeakPolarHBondContact O-CG 3.27Å; Q398-Q402 PolarHBondContact O-N 3.44Å; E399-Q402 PolarHBondContact O-N 2.79Å; Q402-S406 VanDerWaalsContact O-CB 3.29Å; Q402-S406 WeakPolarHBondContact O-CB 3.21Å; Q402-S406 PolarHBondContact O-N 3.33Å
403L93.9Very high89.2Confident104 Ų10496.7 Ų96.755%0.54550%0.498SS..Hα-helixtrans-69.2-42.4176.5-71.2174000112E399 L400 E401 S406 I407E399-L403 WeakPolarHBondContact O-CG 3.43Å; E399-L403 PolarHBondContact O-N 3.3Å; L400-L403 PolarHBondContact O-N 3.46Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.83Å; L403-S406 WeakPolarHBondContact O-CB 3.38Å; L403-S406 PolarHBondContact O-N 3.21Å; L403-I407 WeakPolarHBondContact O-CG1 2.99Å; L403-I407 PolarHBondContact O-N 2.7Å
404R91.2Very high87.5Confident168 Ų168101.6 Ų101.663%0.63452%0.519SS*.Hα-helixtrans-58-47.7172.3-77.2174170.8-176.5-3.5111.4L400 E401 S406 I407 A408L400-R404 WeakPolarHBondContact O-CB 3.3Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 3.43Å; E401-R404 PolarHBondContact O-N 3.29Å; R404-S406 VanDerWaalsContact C-N 3.33Å; R404-S406 PolarHBondContact O-N 3.14Å; R404-I407 PolarHBondContact O-N 2.97Å; R404-A408 VanDerWaalsContact O-CB 3.31Å; R404-A408 WeakPolarHBondContact O-CB 3.42Å; R404-A408 PolarHBondContact O-N 2.6Å
405A90.1Very high85.6Confident35 Ų35103.7 Ų103.729%0.28952%0.524SS..Hα-helixtrans-64-35.2175.800000112.9E401 R409E401-A405 WeakPolarHBondContact O-CB 3.38Å; E401-A405 PolarHBondContact O-N 3.03Å; A405-R409 WeakPolarHBondContact O-CG 3.28Å; A405-R409 PolarHBondContact O-N 2.96Å; A405-R409 VanDerWaalsContact O-N 3.11Å
406S90.4Very high83.6Confident35 Ų35106.1 Ų106.125%0.24553%0.529CS..Hα-helixtrans-63.9-48.1173.7177.20000112.1Q402 L403 R404 R409 K410Q402-S406 VanDerWaalsContact O-CB 3.29Å; Q402-S406 WeakPolarHBondContact O-CB 3.21Å; Q402-S406 PolarHBondContact O-N 3.33Å; L403-S406 WeakPolarHBondContact O-CB 3.38Å; L403-S406 PolarHBondContact O-N 3.21Å; R404-S406 VanDerWaalsContact C-N 3.33Å; R404-S406 PolarHBondContact O-N 3.14Å; S406-R409 PolarHBondContact O-N 3.44Å; S406-K410 PolarHBondContact O-N 2.66Å
407I89.2Confident81.6Confident108 Ų108109 Ų10955%0.55455%0.545SS*.Hα-helixtrans-62.6-47.4176-67.4164.9000109.8L403 R404 R409 K410 V411L403-I407 WeakPolarHBondContact O-CG1 2.99Å; L403-I407 PolarHBondContact O-N 2.7Å; R404-I407 PolarHBondContact O-N 2.97Å; I407-R409 PolarHBondContact O-N 3.18Å; I407-K410 PolarHBondContact O-N 2.86Å; I407-V411 HydrophobicContact CG2-CG2 4.1Å; I407-V411 WeakPolarHBondContact O-CG2 3.39Å; I407-V411 PolarHBondContact O-N 3.18Å
408A84.7Confident79.4Confident40 Ų40110 Ų11033%0.33155%0.55SS.*Hα-helixtrans-57.8-32178.600000113.2R404 R416R404-A408 VanDerWaalsContact O-CB 3.31Å; R404-A408 WeakPolarHBondContact O-CB 3.42Å; R404-A408 PolarHBondContact O-N 2.6Å; A408-R416 PolarHBondContact O-NH2 2.78Å
409R82.5Confident77.1Confident186 Ų186111.5 Ų111.570%0.70256%0.562SS**Hα-helixtrans-75.7-28172.7-74.1-174-61.9-97.72.1114A405 S406 I407A405-R409 WeakPolarHBondContact O-CG 3.28Å; A405-R409 PolarHBondContact O-N 2.96Å; A405-R409 VanDerWaalsContact O-N 3.11Å; S406-R409 PolarHBondContact O-N 3.44Å; I407-R409 PolarHBondContact O-N 3.18Å
410K81.5Confident74.9Confident171 Ų171111.4 Ų111.474%0.74357%0.571SS**Hα-helixtrans-88.2-24.1-178.7-73.3-177.8177.2-175.80113.8S406 I407 P412S406-K410 PolarHBondContact O-N 2.66Å; I407-K410 PolarHBondContact O-N 2.86Å; K410-P412 WeakPolarHBondContact O-CD 3.39Å
411V73.9Confident72.8Confident56 Ų56114.4 Ų114.434%0.33959%0.587SS.*SBendtrans-68117.6173.3173.50000108.7I407 M415 R416I407-V411 HydrophobicContact CG2-CG2 4.1Å; I407-V411 WeakPolarHBondContact O-CG2 3.39Å; I407-V411 PolarHBondContact O-N 3.18Å; V411-M415 HydrophobicContact CG1-CB 3.98Å; V411-R416 HydrophobicContact CG1-CG 4.32Å
412P70.9Confident70.7Confident83 Ų83115 Ų11554%0.53959%0.594SS.*  trans-61.7142.2177.126.1-33.6000109.9K410 N414 M415K410-P412 WeakPolarHBondContact O-CD 3.39Å; P412-N414 PolarHBondContact O-N 2.89Å; P412-M415 HydrophobicContact CG-CG 4.22Å; P412-M415 PolarHBondContact O-N 3.09Å
413S63.2Low68.5Low98 Ų98115.2 Ų115.269%0.68560%0.598SS**G310 helixtrans-53.1-29.6-177.942.40000113.5M415 R416S413-M415 PolarHBondContact O-N 3.21Å; S413-M415 VanDerWaalsContact O-N 3.14Å; S413-R416 PolarHBondContact O-N 3.05Å
414N60.2Low66.1Low144 Ų144119.9 Ų119.977%0.7762%0.615SS**G310 helixtrans-67.8-4.7176.3-123.816.5000115.3P412P412-N414 PolarHBondContact O-N 2.89Å
415M57.6Low64Low124 Ų124115.6 Ų115.661%0.61162%0.615SS**G310 helixtrans-110.5-5.4174-74.1-74.9135.900113.3V411 P412 S413 N417V411-M415 HydrophobicContact CG1-CB 3.98Å; P412-M415 HydrophobicContact CG-CG 4.22Å; P412-M415 PolarHBondContact O-N 3.09Å; S413-M415 PolarHBondContact O-N 3.21Å; S413-M415 VanDerWaalsContact O-N 3.14Å; M415-N417 VanDerWaalsContact C-N 3.32Å; M415-N417 PolarHBondContact O-N 3.31Å
416R56Low61.9Low159 Ų159121.9 Ų121.960%0.664%0.636SS**THydrogen-bonded Turntrans-76.6-13.1-179.1-79.9-174.2178.2-174.8-1.2114.8A408 V411 S413A408-R416 PolarHBondContact O-NH2 2.78Å; V411-R416 HydrophobicContact CG1-CG 4.32Å; S413-R416 PolarHBondContact O-N 3.05Å
417N54.4Low59.7Low143 Ų143130.8 Ų130.877%0.76566%0.664SS**THydrogen-bonded Turntrans-99.31-172.4-68.15.2000114.2M415M415-N417 VanDerWaalsContact C-N 3.32Å; M415-N417 PolarHBondContact O-N 3.31Å
418N49.7Very low57.8Low125 Ų125131.3 Ų131.367%0.66867%0.672SS**SBendtrans-13361.8-175.5-68.7-39.5000111.6
419N48.7Very low55.7Low150 Ų150136.9 Ų136.980%0.80270%0.696SS**  trans-157.6134.7155.5-91.5-43.3000110D421N419-D421 PolarHBondContact O-N 2.82Å
420S49.9Very low54Low80 Ų80134.7 Ų134.756%0.55970%0.698SS**  trans-84.591.2-169.950.40000113.1D422S420-D422 VanDerWaalsContact C-N 3.26Å; S420-D422 PolarHBondContact O-N 3Å
421D52.1Low52.2Low157 Ų157133.3 Ų133.384%0.8470%0.699SS**G310 helixtrans-77-8.8170.7-76.7-29.8000113.6N419N419-D421 PolarHBondContact O-N 2.82Å
422D49.5Very low50.9Low124 Ų124142 Ų14266%0.66373%0.728SS**G310 helixtrans-87.5-2-178-94.4-22.3000115.5S420S420-D422 VanDerWaalsContact C-N 3.26Å; S420-D422 PolarHBondContact O-N 3Å
423L48Very low50.1Low129 Ų129144.5 Ų144.568%0.67574%0.737SS**G310 helixtrans-87.3-3.5-172.4-83.9174.2000115.9
424F44.6Very low49.1Very low203 Ų203146.3 Ų146.389%0.8974%0.738SS**SBendtrans-106.5-15.9175.8-146.1-96.6000114
425A47.2Very low48.9Very low77 Ų77148 Ų14864%0.63674%0.742SS**SBendtrans-91.52-176.100000114.8
426K46.7Very low48.2Very low168 Ų168149.1 Ų149.173%0.7375%0.745SS**SBendtrans-119.827-172-87.5-177.5174.2173.70115.3
427R42.8Very low47.3Very low222 Ų222151.2 Ų151.284%0.83875%0.753SS**SBendtrans-116.222.4174.8-69.5-165.4-175.8-147.51.9114.5
428T49.5Very low46.8Very low118 Ų118150.5 Ų150.572%0.72475%0.754SS**SBendtrans-142.343.5-179.161.90000111.6
429N41.7Very low46.2Very low157 Ų157148.6 Ų148.684%0.8475%0.751SS**  trans-168.774.8169-82.6-41.4000107.9
430D46.3Very low45.8Very low140 Ų140149 Ų14975%0.74975%0.752SS**  trans-120130.3163.6-78.8-50.4000107.5
431D43.6Very low45.3Very low143 Ų143150.5 Ų150.577%0.76576%0.758SS**  trans-63.8134.3-172-61.7-61.9000112.5
432Y47.3Very low44.8Very low239 Ų239153.7 Ų153.794%0.93776%0.758SS**  trans-115.886.6151.3-89.8-78000107.9
433D52.5Low44.3Very low135 Ų135153 Ų15372%0.72276%0.762SS**  trans-62.9148.6177.8-112.7-38.2000112.3H435D433-H435 PolarHBondContact O-N 2.71Å
434D42.2Very low44.1Very low135 Ų135152 Ų15272%0.72277%0.767SS**  trans-78.3115.6-177.5-171.510.4000110.6
435H56.2Low44.4Very low181 Ų181146.8 Ų146.884%0.83876%0.756SS**  trans-11996.1172.7-81.80.3000111.6D433D433-H435 PolarHBondContact O-N 2.71Å
436E44Very low44.2Very low146 Ų146149.9 Ų149.968%0.68276%0.761SS**  trans-46.2133.1174.8-86.8-150.9107.500115.7
437R37.5Very low44.5Very low203 Ų203148.7 Ų148.777%0.76677%0.768SS**  36109.3119.7-179.3-155.1-73.2-98.4-5117.2
438T42.2Very low44.4Very low129 Ų129145.8 Ų145.879%0.79177%0.769SS**  trans154146.6136.938.50000108
439S38.9Very low44.1Very low85 Ų85144.9 Ų144.959%0.59477%0.774SS**  cis173.5138.4-14.253.80000105.5
440L39.9Very low43.9Very low159 Ų159142.8 Ų142.883%0.83277%0.771SS**  trans67.5152.8166.3-47.5164.1000114.8
441T39.4Very low43.8Very low110 Ų110142.5 Ų142.568%0.67578%0.775SS**  cis-164.4148.4-15.419.10000109.2
442R40.3Very low43.6Very low225 Ų225142.8 Ų142.885%0.84978%0.776SS**  trans66.3113.8143.6-75.7175.5150-170.8-8.6121.8
443S39.5Very low43.5Very low108 Ų108136 Ų13676%0.75576%0.762SS**  100.8127.1115.4-68.50000121.6
444S44.5Very low42.8Very low110 Ų110139.8 Ų139.877%0.76977%0.767SS**  trans73.6141.1149.2-127.80000117.5
445S49.7Very low42.7Very low93 Ų93139.2 Ų139.265%0.6577%0.774SS**  cis-155.3144.43.3-14.60000111.6
446D43.6Very low42.1Very low142 Ų142134.8 Ų134.876%0.75977%0.768SS**  trans18.7130.5140.6-40.5-34.8000121
447T54.1Low42.1Very low142 Ų142137.1 Ų137.187%0.87178%0.779SS**  -170.7139.3107.2180000112.4
448D40.4Very low42.2Very low162 Ų162135.9 Ų135.987%0.86679%0.785SS**  trans-80.5153.2-178.4-53.4-80000113.8
449A42.3Very low42.4Very low99 Ų99135.1 Ų135.182%0.81878%0.776SS**  -179.5113.312600000113.7
450S38Very low43Very low112 Ų112135.7 Ų135.778%0.78378%0.78SS**  trans-38.2138.8160.2161.60000116
451T43.7Very low43.3Very low135 Ų135133.3 Ų133.383%0.82877%0.768SS**  -169.5117.3119.5-67.10000111.1
452D40.1Very low44Very low148 Ų148135.3 Ų135.379%0.79177%0.769SS**  trans-108.2168.4158-134-6.4000106.1
453P45.2Very low44.4Very low97 Ų97133 Ų13363%0.6377%0.765SS**  cis-149.2-165.63828.70.1000116.1
454Y38.3Very low44.7Very low214 Ų214131.9 Ų131.984%0.83976%0.757SS**  trans75.699.5166.6-78.1-92.9000118.4
455S38.4Very low44.8Very low124 Ų124133.4 Ų133.487%0.86775%0.752SS**  trans-130117140-77.70000108.4E457S455-E457 PolarHBondContact O-N 2.97Å
456A44.1Very low44.7Very low87 Ų87136 Ų13672%0.71976%0.757SS**  trans-83.1113.8-17600000110.4M458A456-M458 PolarHBondContact O-N 2.84Å
457E43.3Very low44.9Very low195 Ų195136 Ų13691%0.91176%0.755SS**  trans-71.9124.9166.1-67.9-168.1141.300109.6S455S455-E457 PolarHBondContact O-N 2.97Å
458M41.4Very low44.6Very low178 Ų178133.3 Ų133.388%0.87774%0.741SS**  trans-70.2128.1179.5-83.6-90.9142.400111A456 S460A456-M458 PolarHBondContact O-N 2.84Å; M458-S460 PolarHBondContact O-N 2.84Å
459D44.4Very low44.8Very low112 Ų112131.1 Ų131.160%0.59973%0.729SS**  trans-65.1114.9-177.2-162.9-22.3000111.1N461D459-N461 PolarHBondContact O-N 3.2Å; D459-N461 VanDerWaalsContact O-N 3.14Å; D459-N461 WeakPolarHBondContact OD1-CB 3.33Å; D459-N461 PolarHBondContact OD1-N 3.33Å; D459-N461 PolarHBondContact OD1-ND2 3.15Å
460S52.2Low45.2Very low97 Ų97129.7 Ų129.768%0.67872%0.717SS**THydrogen-bonded Turntrans-71.5-5.1-175.253.30000113.8M458M458-S460 PolarHBondContact O-N 2.84Å
461N46.3Very low45.6Very low110 Ų110130.3 Ų130.359%0.58871%0.712SS**Hα-helixtrans-72.9-36.2-179-72.8-63.4000114.5D459 K463 C464D459-N461 PolarHBondContact O-N 3.2Å; D459-N461 VanDerWaalsContact O-N 3.14Å; D459-N461 WeakPolarHBondContact OD1-CB 3.33Å; D459-N461 PolarHBondContact OD1-N 3.33Å; D459-N461 PolarHBondContact OD1-ND2 3.15Å; N461-K463 VanDerWaalsContact C-N 3.31Å; N461-K463 PolarHBondContact O-N 3.2Å; N461-C464 PolarHBondContact O-N 3.26Å
462E54.2Low45.8Very low151 Ų151128.4 Ų128.471%0.70670%0.7SS**Hα-helixtrans-67.8-30.3-175.7-68.7-164.9143.100112.9C464 Q465E462-C464 VanDerWaalsContact C-N 3.32Å; E462-C464 PolarHBondContact O-N 3.3Å; E462-Q465 PolarHBondContact O-N 2.92Å
463K49.6Very low46.2Very low176 Ų176125.7 Ų125.777%0.76569%0.693SS**Hα-helixtrans-70.3-27.1-179.2-164.5169.9-176.6176.40113.2N461N461-K463 VanDerWaalsContact C-N 3.31Å; N461-K463 PolarHBondContact O-N 3.2Å
464C44.7Very low46.3Very low86 Ų86127.4 Ų127.458%0.58170%0.696SS**Hα-helixtrans-76.4-27.2174.8-75.60000112.6N461 E462N461-C464 PolarHBondContact O-N 3.26Å; E462-C464 VanDerWaalsContact C-N 3.32Å; E462-C464 PolarHBondContact O-N 3.3Å
465Q47Very low46.4Very low141 Ų141121.8 Ų121.866%0.65969%0.687SS**Hα-helixtrans-78.8-24.3-171.9-145.4150.540.400113.5E462 N469E462-Q465 PolarHBondContact O-N 2.92Å; Q465-N469 PolarHBondContact O-ND2 2.93Å; Q465-N469 VanDerWaalsContact O-ND2 3.11Å
466L47.3Very low46.7Very low147 Ų147126.1 Ų126.177%0.7769%0.685SS**Hα-helixtrans-79.8-25.8174.8-73.5166000113.7
467M48.1Very low46.8Very low143 Ų143125.8 Ų125.870%0.70468%0.677SS**Hα-helixtrans-77.6-36.3-179.2-70.9-87.5-76.800112.8N469M467-N469 PolarHBondContact O-N 3.21Å
468C47Very low46.8Very low86 Ų86124.6 Ų124.658%0.58167%0.669SS**Hα-helixtrans-75.5-23.9-174-66.80000114.2
469N45Very low47.1Very low116 Ų116124.7 Ų124.762%0.6267%0.668SS**Hα-helixtrans-78.3-18.8-176.6-72.1-33.5000114.1Q465 M467Q465-N469 PolarHBondContact O-ND2 2.93Å; Q465-N469 VanDerWaalsContact O-ND2 3.11Å; M467-N469 PolarHBondContact O-N 3.21Å
470A50.2Low47.3Very low68 Ų68127.9 Ų127.956%0.56268%0.676SS**Hα-helixtrans-73.4-37.6-177.800000113.3
471N47.6Very low47.1Very low125 Ų125131 Ų13167%0.66868%0.68SS**Hα-helixtrans-92.3-20.7-168.2-70.8-21.6000114.7S473 N474N471-S473 PolarHBondContact O-N 2.85Å; N471-N474 PolarHBondContact O-N 3.1Å
472V48.5Very low47.4Very low95 Ų95134.2 Ų134.258%0.57669%0.692SS**THydrogen-bonded Turntrans-67.1-24.6177.9179.10000112N474V472-N474 VanDerWaalsContact C-N 3.32Å; V472-N474 PolarHBondContact O-N 3.27Å
473S48.6Very low47.4Very low92 Ų92131.9 Ų131.964%0.64369%0.692SS**THydrogen-bonded Turntrans-65.7-29-179.8-54.20000114N471N471-S473 PolarHBondContact O-N 2.85Å
474N47.2Very low47.3Very low132 Ų132129.9 Ų129.971%0.70669%0.694SS**THydrogen-bonded Turntrans-94.6-18.3-167.9-147.914.6000114N471 V472N471-N474 PolarHBondContact O-N 3.1Å; V472-N474 VanDerWaalsContact C-N 3.32Å; V472-N474 PolarHBondContact O-N 3.27Å
475C39.6Very low47.5Very low97 Ų97133.6 Ų133.666%0.65573%0.731SS**G310 helixtrans-87.8-13.5-175.6-61.60000114.4S477C475-S477 VanDerWaalsContact C-N 3.28Å; C475-S477 PolarHBondContact O-N 2.67Å
476R45Very low47.6Very low215 Ų215133.2 Ų133.281%0.81173%0.734SS**G310 helixtrans-77.8-7.6-178.1-82.8-173.7170.6176.51.6115
477S45.6Very low47.6Very low80 Ų80132.5 Ų132.556%0.55973%0.732SS**G310 helixtrans-79.3-28.7-175.3-39.60000113.4C475C475-S477 VanDerWaalsContact C-N 3.28Å; C475-S477 PolarHBondContact O-N 2.67Å
478F43.5Very low47.5Very low169 Ų169131.9 Ų131.974%0.74173%0.734SS**SBendtrans-95.1-20.1-159.4-136.7-95.5000115.5
479E47.8Very low47.6Very low181 Ų181134.6 Ų134.685%0.84674%0.743SS**THydrogen-bonded Turntrans-87.2-1.4-175.6-69-172.3141.600114.5
480K48.2Very low47.7Very low178 Ų178135.8 Ų135.877%0.77475%0.751SS**THydrogen-bonded Turntrans-93.2-9.9-177.5-95.9-173.5172.7-173.90116
481E49.3Very low47.6Very low163 Ų163140.3 Ų140.376%0.76276%0.763SS**SBendtrans-97.9-5.9-172.9-65.7-169.8148.800114.8
482Q51.8Low47.6Very low178 Ų178141.4 Ų141.483%0.83277%0.77SS**SBendtrans-1001.6-180-71.6-165.81100115.7
483S53.1Low47.5Very low102 Ų102144.9 Ų144.971%0.71379%0.785SS**SBendtrans-98.917.9178.682.10000114.5
484V49.1Very low47.4Very low133 Ų133149.3 Ų149.381%0.80680%0.797SS**  trans-136.162.5177.9-167.90000109.9
485A48.8Very low47.4Very low164 Ų164150.9 Ų150.9100%1.35581%0.805SS**  trans-156.2016500000108.6

Retrieved 485 of 485 residues in 383 ms (Link to these results)