A0A5K4F431_SCHMA Loading...

Pre-mRNA-splicing factor SYF2

AlphaFold DB , UniProt , Accession A0A5K4F431, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 297 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
1M34.3Very low45.5Very low244 Ų244120 Ų120100%1.20268%0.675SS**  093.40-88.6-176.7150.400109.4
2C35.3Very low45.9Very low120 Ų120120 Ų12081%0.81167%0.672SS**  trans-135125.6137.3-79.20000102.9L4C2-L4 PolarHBondContact O-N 3.17Å
3P41.3Very low46.2Very low129 Ų129114.7 Ų114.784%0.83865%0.653SS**PPolyproline II helixtrans-67.6124-177.824.5-29.2000109.4S5P3-S5 PolarHBondContact O-N 2.85Å
4L42.5Very low46.2Very low152 Ų152112.9 Ų112.980%0.79664%0.639SS**PPolyproline II helixtrans-54.8120.4172.2-77.7158.8000108.1C2 D8C2-L4 PolarHBondContact O-N 3.17Å; L4-D8 WeakPolarHBondContact CD2-OD2 3.5Å
5S45Very low46.6Very low62 Ų62115.1 Ų115.143%0.43464%0.639SS.*PPolyproline II helixtrans-68.5145.7-176.579.20000109.5P3 N7 D8P3-S5 PolarHBondContact O-N 2.85Å; S5-N7 PolarHBondContact O-N 2.88Å; S5-D8 PolarHBondContact O-N 3.37Å
6V50.7Low46.7Very low112 Ų112112.3 Ų112.368%0.67963%0.63SS**Hα-helixtrans-50.4-19.6-180-178.10000113D8 I10V6-D8 PolarHBondContact O-N 3.1Å; V6-I10 HydrophobicContact CG1-CD1 4.13Å; V6-I10 WeakPolarHBondContact O-CG1 3.45Å
7N49.4Very low46.6Very low110 Ų110112.9 Ų112.959%0.58863%0.627SS**Hα-helixtrans-66.3-31.8177.3-72.9-14.4000114.6S5 I10 Q11S5-N7 PolarHBondContact O-N 2.88Å; N7-I10 PolarHBondContact O-N 3.39Å; N7-Q11 WeakPolarHBondContact O-CG 3.48Å; N7-Q11 PolarHBondContact O-N 3.21Å
8D50Low46.4Very low83 Ų83112.6 Ų112.644%0.44462%0.623SS.*Hα-helixtrans-71.6-34.8-176.9-65.7-33000111.4L4 S5 V6 Q11 D12L4-D8 WeakPolarHBondContact CD2-OD2 3.5Å; S5-D8 PolarHBondContact O-N 3.37Å; V6-D8 PolarHBondContact O-N 3.1Å; D8-Q11 PolarHBondContact O-N 2.9Å; D8-D12 PolarHBondContact O-N 3.29Å
9V52.2Low46.1Very low110 Ų110117.7 Ų117.767%0.66763%0.632SS**Hα-helixtrans-69.8-33.8178.3-177.70000111.6A13V9-A13 PolarHBondContact O-N 3.15Å
10I49.8Very low46Very low84 Ų84118.1 Ų118.143%0.43163%0.634SS.*Hα-helixtrans-72.1-35.5-179.4-64170.2000111V6 N7 A13 L14V6-I10 HydrophobicContact CG1-CD1 4.13Å; V6-I10 WeakPolarHBondContact O-CG1 3.45Å; N7-I10 PolarHBondContact O-N 3.39Å; I10-A13 PolarHBondContact O-N 3.36Å; I10-L14 HydrophobicContact CG2-CD1 4.08Å; I10-L14 WeakPolarHBondContact O-CG 3.36Å; I10-L14 PolarHBondContact O-N 3.23Å; I10-L14 VanDerWaalsContact O-N 3.17Å
11Q50.3Low45.8Very low114 Ų114117 Ų11753%0.53363%0.628SS.*Hα-helixtrans-69.6-36.4179.5-68.6-65.8-22.100112.7N7 D8 K15N7-Q11 WeakPolarHBondContact O-CG 3.48Å; N7-Q11 PolarHBondContact O-N 3.21Å; D8-Q11 PolarHBondContact O-N 2.9Å; Q11-K15 PolarHBondContact O-N 3.4Å; Q11-K15 VanDerWaalsContact O-N 3.13Å
12D50.3Low46.1Very low120 Ų120112 Ų11264%0.64261%0.606SS**Hα-helixtrans-70.3-37.3176.2-84.5-10000112.2D8 K15 S16D8-D12 PolarHBondContact O-N 3.29Å; D12-K15 PolarHBondContact O-N 3.48Å; D12-S16 PolarHBondContact O-N 2.99Å; D12-S16 VanDerWaalsContact O-N 3.1Å
13A49.5Very low46.2Very low51 Ų51114.9 Ų114.942%0.42161%0.608SS.*Hα-helixtrans-60.2-47.617400000111.3V9 I10 K15 S16 E17V9-A13 PolarHBondContact O-N 3.15Å; I10-A13 PolarHBondContact O-N 3.36Å; A13-K15 PolarHBondContact O-N 3.33Å; A13-S16 PolarHBondContact O-N 3.15Å; A13-S16 PolarHBondContact O-OG 3.21Å; A13-E17 PolarHBondContact O-N 3.28Å; A13-E17 VanDerWaalsContact O-N 3.14Å
14L46.5Very low46.1Very low89 Ų89114.8 Ų114.847%0.46660%0.599SS.*Hα-helixtrans-64.6-36.3-180-75.2167.5000113.2I10 L18I10-L14 HydrophobicContact CG2-CD1 4.08Å; I10-L14 WeakPolarHBondContact O-CG 3.36Å; I10-L14 PolarHBondContact O-N 3.23Å; I10-L14 VanDerWaalsContact O-N 3.17Å; L14-L18 PolarHBondContact O-N 3.33Å; L14-L18 VanDerWaalsContact O-N 3.15Å
15K51.7Low45.7Very low146 Ų146113.5 Ų113.564%0.63559%0.592SS**Hα-helixtrans-69.2-36.4175.3-85.9178.7178.2173.10113Q11 D12 A13 R19Q11-K15 PolarHBondContact O-N 3.4Å; Q11-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 PolarHBondContact O-N 3.48Å; A13-K15 PolarHBondContact O-N 3.33Å; K15-R19 PolarHBondContact O-N 3.44Å
16S48.3Very low45Very low71 Ų71118.4 Ų118.450%0.49761%0.613SS.*Hα-helixtrans-69.2-35.4178.473.10000112.3D12 A13 R19D12-S16 PolarHBondContact O-N 2.99Å; D12-S16 VanDerWaalsContact O-N 3.1Å; A13-S16 PolarHBondContact O-N 3.15Å; A13-S16 PolarHBondContact O-OG 3.21Å; S16-R19 PolarHBondContact O-N 3.13Å
17E44.5Very low44.1Very low122 Ų122119.6 Ų119.657%0.5761%0.614SS**Hα-helixtrans-74.4-35179.1-160157.4-159.800112A13 R19 N20 N21A13-E17 PolarHBondContact O-N 3.28Å; A13-E17 VanDerWaalsContact O-N 3.14Å; E17-R19 VanDerWaalsContact C-N 3.28Å; E17-R19 PolarHBondContact O-N 3Å; E17-N20 PolarHBondContact O-N 3.43Å; E17-N21 PolarHBondContact O-N 3.41Å; E17-N21 PolarHBondContact O-ND2 3.28Å
18L43Very low43.1Very low107 Ų107121.6 Ų121.656%0.5663%0.625SS**Hα-helixtrans-63.5-30.1171.8-93.7158.2000113.4L14L14-L18 PolarHBondContact O-N 3.33Å; L14-L18 VanDerWaalsContact O-N 3.15Å
19R40.6Very low42.3Very low210 Ų210125.2 Ų125.279%0.79264%0.644SS**Hα-helixtrans-74.4-30.1179.2-150.4176.9-174.7-158.60.1112.4K15 S16 E17K15-R19 PolarHBondContact O-N 3.44Å; S16-R19 PolarHBondContact O-N 3.13Å; E17-R19 VanDerWaalsContact C-N 3.28Å; E17-R19 PolarHBondContact O-N 3Å
20N45.2Very low41.2Very low126 Ų126122.8 Ų122.867%0.67464%0.642SS**Hα-helixtrans-80.9-21.7179.5-72.6-13.5000113.4E17E17-N20 PolarHBondContact O-N 3.43Å
21N41.3Very low40.5Very low96 Ų96126.8 Ų126.851%0.51366%0.658SS.*Hα-helixtrans-89.2-11-177.4-67.5-18.8000114.3E17 E23E17-N21 PolarHBondContact O-N 3.41Å; E17-N21 PolarHBondContact O-ND2 3.28Å; N21-E23 VanDerWaalsContact C-N 3.29Å; N21-E23 PolarHBondContact O-N 3.16Å
22N41.7Very low39.7Very low137 Ų137128.8 Ų128.873%0.73367%0.673SS**THydrogen-bonded Turntrans-80.5-2.4177.7-76-17.5000114.2
23E36.6Very low38.8Very low182 Ų182129.7 Ų129.785%0.8568%0.678SS**THydrogen-bonded Turntrans-92.55173.7-86.3-170.1167.900114.1N21 L25N21-E23 VanDerWaalsContact C-N 3.29Å; N21-E23 PolarHBondContact O-N 3.16Å; E23-L25 PolarHBondContact O-N 3.02Å
24I38.1Very low38.1Very low126 Ų126134.2 Ų134.265%0.64670%0.695SS**SBendtrans-85.190.4179.4-54.9-176.1000110.6
25L34.7Very low37.4Very low125 Ų125138 Ų13865%0.65471%0.71SS**  trans60.298.9140.4-70.3162.3000116.8E23 L27E23-L25 PolarHBondContact O-N 3.02Å; L25-L27 HydrophobicContact CB-CD1 4.45Å; L25-L27 HydrophobicContact CB-CG 4.18Å; L25-L27 PolarHBondContact O-N 2.89Å
26L30.5Very low36.6Very low166 Ų166138.4 Ų138.487%0.86972%0.718SS**  trans-51.787.6140.6-81.291.4000109.1
27L32.8Very low35.7Very low137 Ų137141.1 Ų141.172%0.71773%0.727SS**  trans-89.5101.7160-78.7165.6000107.1L25 N29L25-L27 HydrophobicContact CB-CD1 4.45Å; L25-L27 HydrophobicContact CB-CG 4.18Å; L25-L27 PolarHBondContact O-N 2.89Å; L27-N29 PolarHBondContact O-N 2.8Å
28N27.1Very low35.3Very low151 Ų151141.3 Ų141.381%0.80774%0.739SS**  trans-48.695.7167.9-73.1-36.1000110.2G30N28-G30 PolarHBondContact O-N 2.83Å
29N34.7Very low34.8Very low160 Ų160141.3 Ų141.386%0.85674%0.744SS**  trans-79.198.9161.4-85.6-15.5000107.5L27 Q31L27-N29 PolarHBondContact O-N 2.8Å; N29-Q31 PolarHBondContact O-N 3.02Å
30G27.8Very low34.6Very low59 Ų59139.5 Ų139.561%0.60874%0.744SS**  trans-58.4120.8169.100000110.8N28 N32N28-G30 PolarHBondContact O-N 2.83Å; G30-N32 PolarHBondContact O-N 3.22Å
31Q34.9Very low34.2Very low167 Ų167141.2 Ų141.278%0.7875%0.753SS**  trans4961.2137.1-57.3-177.3-7800117.8N29N29-Q31 PolarHBondContact O-N 3.02Å
32N33.7Very low34.3Very low156 Ų156144.2 Ų144.283%0.83476%0.764SS**  trans-11588.2148.1-66.3-9.9000107.1G30 N34G30-N32 PolarHBondContact O-N 3.22Å; N32-N34 PolarHBondContact O-N 3.3Å
33N30.9Very low34.3Very low139 Ų139143.2 Ų143.274%0.74376%0.763SS**  trans-67.375.4175.4-60.9-31.2000109.6E35N33-E35 PolarHBondContact O-N 3.35Å
34N36.2Very low34.6Very low146 Ų146145.4 Ų145.478%0.78177%0.766SS**  trans-83.683.7148.8-76.8-4.4000105.4N32 L36N32-N34 PolarHBondContact O-N 3.3Å; N34-L36 PolarHBondContact O-N 3.1Å
35E30.6Very low34.9Very low169 Ų169144.6 Ų144.679%0.7976%0.762SS**  trans-55.986.2165.5-164.3168.9-155.400107N33 N37N33-E35 PolarHBondContact O-N 3.35Å; E35-N37 PolarHBondContact O-N 2.81Å
36L34.9Very low35.9Very low154 Ų154144.1 Ų144.181%0.80677%0.77SS**  trans-64.492.5168.5-77.2166.8000105.7N34 P38N34-L36 PolarHBondContact O-N 3.1Å; L36-P38 WeakPolarHBondContact O-CD 3.39Å
37N29.2Very low37Very low129 Ų129141.4 Ų141.469%0.6976%0.756SS**  trans-56106.4166.6-96.7-43000107.9E35 T39E35-N37 PolarHBondContact O-N 2.81Å; N37-T39 VanDerWaalsContact C-N 3.28Å; N37-T39 PolarHBondContact O-N 3.38Å; N37-T39 VanDerWaalsContact O-N 3.09Å
38P37.7Very low38.4Very low125 Ų125142 Ų14281%0.81276%0.76SS**  trans-88.779.1176.929.2-13.7000106.4L36L36-P38 WeakPolarHBondContact O-CD 3.39Å
39T31.2Very low39.9Very low107 Ų107139.2 Ų139.266%0.65675%0.752SS**  trans-135102.1163.6-28.30000102N37N37-T39 VanDerWaalsContact C-N 3.28Å; N37-T39 PolarHBondContact O-N 3.38Å; N37-T39 VanDerWaalsContact O-N 3.09Å
40E36.9Very low41.6Very low173 Ų173134.4 Ų134.481%0.80873%0.727SS**SBend-160.8124.776-78.3161.3-161.800109.5E42E40-E42 PolarHBondContact O-N 3.31Å
41N36.5Very low44Very low162 Ų162134 Ų13487%0.86672%0.717SS**  trans45.963.5153.4-65.8-14.9000118.2T43N41-T43 PolarHBondContact O-N 3.45Å
42E44.2Very low46.2Very low158 Ų158132.6 Ų132.674%0.73871%0.706SS**  trans-85106.1149.8-71.8-162.5-175.900108.6E40 Y44E40-E42 PolarHBondContact O-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.36Å; E42-Y44 VanDerWaalsContact O-N 3.13Å
43T40.2Very low48.5Very low117 Ų117129 Ų12972%0.71869%0.689SS**  trans-45.6117.4167.4-38.90000108.6N41 D45N41-T43 PolarHBondContact O-N 3.45Å; T43-D45 PolarHBondContact O-N 3.14Å
44Y43.5Very low51Low228 Ų228127.6 Ų127.689%0.89467%0.674SS**  trans-66.782.4176.3-86.1-100.9000109.5E42 S46E42-Y44 PolarHBondContact O-N 3.36Å; E42-Y44 VanDerWaalsContact O-N 3.13Å; Y44-S46 PolarHBondContact O-N 3.37Å
45D44.5Very low53.5Low108 Ų108127.6 Ų127.658%0.57866%0.662SS**  trans-77106.3163.4-79-18000107.8T43 D47T43-D45 PolarHBondContact O-N 3.14Å; D45-D47 PolarHBondContact O-N 3.08Å
46S55.2Low56.4Low116 Ų116123.5 Ų123.581%0.81164%0.64SS**  trans-69.441.8-172.4-176.80000114.2Y44Y44-S46 PolarHBondContact O-N 3.37Å
47D54.2Low59.1Low109 Ų109119.8 Ų119.858%0.58362%0.623SS**  trans-105113.1177.9-74.4-22.4000110.4D45 S49 N50D45-D47 PolarHBondContact O-N 3.08Å; D47-S49 PolarHBondContact O-N 3.48Å; D47-N50 WeakPolarHBondContact O-CA 3.49Å; D47-N50 VanDerWaalsContact O-CB 3.31Å; D47-N50 WeakPolarHBondContact O-CB 3.38Å; D47-N50 PolarHBondContact O-N 2.91Å
48D62.2Low61.9Low150 Ų150116.4 Ų116.480%0.80261%0.614SS**Hα-helixtrans-50.2-27.5169.9-74.8-31.4000112.3N50 A51 Y52D48-N50 VanDerWaalsContact C-N 3.29Å; D48-N50 PolarHBondContact O-N 3.37Å; D48-A51 WeakPolarHBondContact O-CB 3.44Å; D48-A51 PolarHBondContact O-N 3.34Å; D48-Y52 PolarHBondContact O-N 3.02Å
49S59.1Low64.5Low92 Ų92114.1 Ų114.164%0.64359%0.592SS**Hα-helixtrans-59.4-36.6171.8-65.10000112.9D47 Y52 V53D47-S49 PolarHBondContact O-N 3.48Å; S49-Y52 PolarHBondContact O-N 3.16Å; S49-V53 WeakPolarHBondContact O-CG2 3.44Å; S49-V53 PolarHBondContact O-N 3.24Å
50N69.5Low67.4Low59 Ų59112.8 Ų112.832%0.31658%0.58SS.*Hα-helixtrans-73.6-33177.4-166.4-19.4000111D47 D48 Y52 V53 R54D47-N50 WeakPolarHBondContact O-CA 3.49Å; D47-N50 VanDerWaalsContact O-CB 3.31Å; D47-N50 WeakPolarHBondContact O-CB 3.38Å; D47-N50 PolarHBondContact O-N 2.91Å; D48-N50 VanDerWaalsContact C-N 3.29Å; D48-N50 PolarHBondContact O-N 3.37Å; N50-Y52 PolarHBondContact O-N 2.83Å; N50-V53 PolarHBondContact O-N 3.25Å; N50-R54 VanDerWaalsContact CG-NH1 3.26Å; N50-R54 PolarHBondContact ND2-NH1 3.47Å; N50-R54 WeakPolarHBondContact O-CB 3.42Å; N50-R54 WeakPolarHBondContact O-CG 3.29Å; N50-R54 PolarHBondContact O-N 3.27Å; N50-R54 PolarHBondContact O-NE 3.48Å; N50-R54 WeakPolarHBondContact OD1-CG 3.02Å; N50-R54 PolarHBondContact OD1-NE 3.24Å; N50-R54 PolarHBondContact OD1-NH1 3.38Å; N50-R54 VanDerWaalsContact OD1-NH1 3.14Å
51A79.1Confident69.9Low49 Ų49108.9 Ų108.941%0.40557%0.565SS.*Hα-helixtrans-61.8-41.4173.100000112.4D48 R55D48-A51 WeakPolarHBondContact O-CB 3.44Å; D48-A51 PolarHBondContact O-N 3.34Å; A51-R55 WeakPolarHBondContact O-CB 3.43Å; A51-R55 PolarHBondContact O-N 3.4Å
52Y81.4Confident72.5Confident138 Ų138106 Ų10654%0.54155%0.549SS..Hα-helixtrans-62.2-47.4174.2176.7-93.2000112.1D48 S49 N50 R55 R56D48-Y52 PolarHBondContact O-N 3.02Å; S49-Y52 PolarHBondContact O-N 3.16Å; N50-Y52 PolarHBondContact O-N 2.83Å; Y52-R55 PolarHBondContact O-N 3.37Å; Y52-R56 HydrophobicContact CE1-CB 4.47Å; Y52-R56 WeakPolarHBondContact O-CB 3.4Å; Y52-R56 PolarHBondContact O-N 3.03Å
53V80.7Confident74.6Confident81 Ų81103.3 Ų103.349%0.49154%0.537SS..Hα-helixtrans-61.4-47.4180173.80000110.5S49 N50 R55 R56 V57S49-V53 WeakPolarHBondContact O-CG2 3.44Å; S49-V53 PolarHBondContact O-N 3.24Å; N50-V53 PolarHBondContact O-N 3.25Å; V53-R55 VanDerWaalsContact C-N 3.33Å; V53-R55 PolarHBondContact O-N 3.41Å; V53-R56 PolarHBondContact O-N 3.4Å; V53-V57 HydrophobicContact CG1-CG2 4.35Å; V53-V57 VanDerWaalsContact O-CG2 3.3Å; V53-V57 WeakPolarHBondContact O-CG2 3.44Å; V53-V57 PolarHBondContact O-N 3.43Å
54R83.2Confident76.7Confident110 Ų110101.6 Ų101.642%0.41552%0.523SS..Hα-helixtrans-57.9-44.7176.1-75.3-177.8-75.4-123.9-1.6112.1N50 V57 A58N50-R54 VanDerWaalsContact CG-NH1 3.26Å; N50-R54 PolarHBondContact ND2-NH1 3.47Å; N50-R54 WeakPolarHBondContact O-CB 3.42Å; N50-R54 WeakPolarHBondContact O-CG 3.29Å; N50-R54 PolarHBondContact O-N 3.27Å; N50-R54 PolarHBondContact O-NE 3.48Å; N50-R54 WeakPolarHBondContact OD1-CG 3.02Å; N50-R54 PolarHBondContact OD1-NE 3.24Å; N50-R54 PolarHBondContact OD1-NH1 3.38Å; N50-R54 VanDerWaalsContact OD1-NH1 3.14Å; R54-V57 PolarHBondContact O-N 3.33Å; R54-A58 WeakPolarHBondContact O-CB 3.32Å; R54-A58 PolarHBondContact O-N 3.19Å
55R90Very high78.5Confident145 Ų14594.2 Ų94.255%0.54750%0.504SS..Hα-helixtrans-61.9-46.4176-17517565.1-151.4-0.5111.6A51 Y52 V53 V57 A58 E59A51-R55 WeakPolarHBondContact O-CB 3.43Å; A51-R55 PolarHBondContact O-N 3.4Å; Y52-R55 PolarHBondContact O-N 3.37Å; V53-R55 VanDerWaalsContact C-N 3.33Å; V53-R55 PolarHBondContact O-N 3.41Å; R55-V57 PolarHBondContact O-N 3.15Å; R55-A58 WeakPolarHBondContact O-CB 3.12Å; R55-A58 PolarHBondContact O-N 3.25Å; R55-E59 WeakPolarHBondContact O-CG 3.28Å; R55-E59 PolarHBondContact O-N 3.14Å
56R91.6Very high80.2Confident84 Ų8495.2 Ų95.232%0.31750%0.504SS..Hα-helixtrans-66.6-37.3-178.7-174.259.2-173.3143.15.4112.4Y52 V53 A58 E59 L60 E63Y52-R56 HydrophobicContact CE1-CB 4.47Å; Y52-R56 WeakPolarHBondContact O-CB 3.4Å; Y52-R56 PolarHBondContact O-N 3.03Å; V53-R56 PolarHBondContact O-N 3.4Å; R56-A58 VanDerWaalsContact C-N 3.35Å; R56-E59 WeakPolarHBondContact CD-OE2 3.46Å; R56-E59 IonicContact CZ-OE2 3.03Å; R56-E59 IonicContact NH1-OE2 3.98Å; R56-E59 PolarHBondContact NH1-OE2 2.77Å; R56-E59 PolarHBondContact O-N 3.01Å; R56-L60 HydrophobicContact CG-CD1 4.29Å; R56-L60 VanDerWaalsContact NH2-CD2 3.31Å; R56-L60 WeakPolarHBondContact O-CB 3.26Å; R56-L60 WeakPolarHBondContact O-CG 3.28Å; R56-L60 PolarHBondContact O-N 3.42Å; R56-E63 IonicContact CZ-OE1 3.89Å; R56-E63 IonicContact NH1-OE1 2.75Å; R56-E63 PolarHBondContact NH1-OE1 3.15Å; R56-E63 VanDerWaalsContact NH1-OE1 3.12Å; R56-E63 IonicContact NH2-OE1 3.12Å
57V90.1Very high81Confident75 Ų7594.7 Ų94.746%0.45549%0.488SS..Hα-helixtrans-63-42.9173.3170.50000110.7V53 R54 R55 L60 N61V53-V57 HydrophobicContact CG1-CG2 4.35Å; V53-V57 VanDerWaalsContact O-CG2 3.3Å; V53-V57 WeakPolarHBondContact O-CG2 3.44Å; V53-V57 PolarHBondContact O-N 3.43Å; R54-V57 PolarHBondContact O-N 3.33Å; R55-V57 PolarHBondContact O-N 3.15Å; V57-L60 PolarHBondContact O-N 2.91Å; V57-N61 WeakPolarHBondContact O-CB 3.49Å; V57-N61 VanDerWaalsContact O-CG 3.3Å; V57-N61 PolarHBondContact O-N 3.34Å; V57-N61 PolarHBondContact O-ND2 3.42Å
58A89.3Confident81.9Confident59 Ų5996.2 Ų96.249%0.48849%0.49SS..Hα-helixtrans-63.2-41.8176.100000112.5R54 R55 R56 N61 L62R54-A58 WeakPolarHBondContact O-CB 3.32Å; R54-A58 PolarHBondContact O-N 3.19Å; R55-A58 WeakPolarHBondContact O-CB 3.12Å; R55-A58 PolarHBondContact O-N 3.25Å; R56-A58 VanDerWaalsContact C-N 3.35Å; A58-N61 PolarHBondContact O-N 3.26Å; A58-L62 PolarHBondContact O-N 3.42Å; A58-L62 VanDerWaalsContact O-N 3.07Å
59E91.2Very high82.3Confident77 Ų7795.3 Ų95.336%0.3648%0.481SS..Hα-helixtrans-61-48.4174.5-72.8169-16800112.1R55 R56 N61 L62 E63R55-E59 WeakPolarHBondContact O-CG 3.28Å; R55-E59 PolarHBondContact O-N 3.14Å; R56-E59 WeakPolarHBondContact CD-OE2 3.46Å; R56-E59 IonicContact CZ-OE2 3.03Å; R56-E59 IonicContact NH1-OE2 3.98Å; R56-E59 PolarHBondContact NH1-OE2 2.77Å; R56-E59 PolarHBondContact O-N 3.01Å; E59-N61 VanDerWaalsContact C-N 3.33Å; E59-N61 PolarHBondContact O-N 2.9Å; E59-L62 WeakPolarHBondContact O-CB 3.48Å; E59-L62 PolarHBondContact O-N 3.24Å; E59-L62 VanDerWaalsContact O-N 3.11Å; E59-E63 WeakPolarHBondContact O-CG 3.48Å; E59-E63 PolarHBondContact O-N 3.17Å
60L92.3Very high82.2Confident79 Ų7999.4 Ų99.441%0.41448%0.483SS..Hα-helixtrans-61.9-40178.9-76.2171.7000112.2R56 V57 L62 E63 L64R56-L60 HydrophobicContact CG-CD1 4.29Å; R56-L60 VanDerWaalsContact NH2-CD2 3.31Å; R56-L60 WeakPolarHBondContact O-CB 3.26Å; R56-L60 WeakPolarHBondContact O-CG 3.28Å; R56-L60 PolarHBondContact O-N 3.42Å; V57-L60 PolarHBondContact O-N 2.91Å; L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 3.1Å; L60-E63 PolarHBondContact O-N 3.14Å; L60-L64 WeakPolarHBondContact O-CB 3.37Å; L60-L64 PolarHBondContact O-N 3.15Å
61N90.2Very high81.5Confident91 Ų91101.6 Ų101.649%0.48749%0.49SS..Hα-helixtrans-64.8-35.8175.4-75-25.1000112V57 A58 E59 S65V57-N61 WeakPolarHBondContact O-CB 3.49Å; V57-N61 VanDerWaalsContact O-CG 3.3Å; V57-N61 PolarHBondContact O-N 3.34Å; V57-N61 PolarHBondContact O-ND2 3.42Å; A58-N61 PolarHBondContact O-N 3.26Å; E59-N61 VanDerWaalsContact C-N 3.33Å; E59-N61 PolarHBondContact O-N 2.9Å; N61-S65 PolarHBondContact O-N 3.13Å; N61-S65 VanDerWaalsContact O-N 3.07Å; N61-S65 PolarHBondContact O-OG 3.4Å; N61-S65 VanDerWaalsContact O-OG 3.11Å
62L90.5Very high80.5Confident102 Ų102102.2 Ų102.253%0.53450%0.496SS..Hα-helixtrans-69.8-41.6175.3-176.265.6000112A58 E59 L60 S65 K66A58-L62 PolarHBondContact O-N 3.42Å; A58-L62 VanDerWaalsContact O-N 3.07Å; E59-L62 WeakPolarHBondContact O-CB 3.48Å; E59-L62 PolarHBondContact O-N 3.24Å; E59-L62 VanDerWaalsContact O-N 3.11Å; L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 3.1Å; L62-S65 PolarHBondContact O-N 3.46Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.01Å
63E87.8Confident79.1Confident101 Ų101100.9 Ų100.947%0.47250%0.497SS..Hα-helixtrans-58.7-47.2173.4-71.4171.3-149.900110.9R56 E59 L60 S65 K66 E67R56-E63 IonicContact CZ-OE1 3.89Å; R56-E63 IonicContact NH1-OE1 2.75Å; R56-E63 PolarHBondContact NH1-OE1 3.15Å; R56-E63 VanDerWaalsContact NH1-OE1 3.12Å; R56-E63 IonicContact NH2-OE1 3.12Å; E59-E63 WeakPolarHBondContact O-CG 3.48Å; E59-E63 PolarHBondContact O-N 3.17Å; L60-E63 PolarHBondContact O-N 3.14Å; E63-S65 PolarHBondContact O-N 3.25Å; E63-K66 PolarHBondContact O-N 3.35Å; E63-E67 PolarHBondContact O-N 3.48Å
64L85.1Confident77.9Confident81 Ų8198.8 Ų98.842%0.42449%0.486SS..Hα-helixtrans-64-38.9179.8-173.367.7000112.7L60 E67 K68L60-L64 WeakPolarHBondContact O-CB 3.37Å; L60-L64 PolarHBondContact O-N 3.15Å; L64-E67 PolarHBondContact O-N 3.03Å; L64-K68 WeakPolarHBondContact O-CG 3.36Å; L64-K68 PolarHBondContact O-N 3.12Å; L64-K68 VanDerWaalsContact O-N 3.09Å
65S80.4Confident76.2Confident73 Ų73101.2 Ų101.251%0.5150%0.497SS..Hα-helixtrans-64.3-41.7175.9-70.10000112.3N61 L62 E63 K68 E69N61-S65 PolarHBondContact O-N 3.13Å; N61-S65 VanDerWaalsContact O-N 3.07Å; N61-S65 PolarHBondContact O-OG 3.4Å; N61-S65 VanDerWaalsContact O-OG 3.11Å; L62-S65 PolarHBondContact O-N 3.46Å; E63-S65 PolarHBondContact O-N 3.25Å; S65-K68 PolarHBondContact O-N 3.4Å; S65-E69 PolarHBondContact O-N 3.01Å; S65-E69 VanDerWaalsContact O-N 3.13Å
66K80.8Confident74.4Confident129 Ų129102.4 Ų102.456%0.56151%0.509SS*.Hα-helixtrans-66.1-37.9176.3-71.8175.6-179.8176.90112.3L62 E63 E69 Y70L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.01Å; E63-K66 PolarHBondContact O-N 3.35Å; K66-E69 PolarHBondContact O-N 3.05Å; K66-Y70 PolarHBondContact O-N 3.07Å
67E72.8Confident72.7Confident105 Ų105107.1 Ų107.149%0.49153%0.532SS..Hα-helixtrans-64.1-43176.4-177173.3-155.400111.3E63 L64 E69 Y70 F71E63-E67 PolarHBondContact O-N 3.48Å; L64-E67 PolarHBondContact O-N 3.03Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 3.11Å; E67-Y70 PolarHBondContact O-N 3.41Å; E67-F71 HydrophobicContact CG-CD2 3.78Å; E67-F71 HydrophobicContact CG-CE2 3.41Å; E67-F71 VanDerWaalsContact CG-CE2 3.41Å; E67-F71 WeakPolarHBondContact O-CD2 3.45Å; E67-F71 PolarHBondContact O-N 3.21Å; E67-F71 VanDerWaalsContact O-N 3.08Å
68K72.9Confident70.9Confident141 Ų141112.3 Ų112.361%0.61355%0.548SS*.Hα-helixtrans-60.9-40.1175.2-73.8178.5178.8179.50112.7L64 S65 F71 A72L64-K68 WeakPolarHBondContact O-CG 3.36Å; L64-K68 PolarHBondContact O-N 3.12Å; L64-K68 VanDerWaalsContact O-N 3.09Å; S65-K68 PolarHBondContact O-N 3.4Å; K68-F71 PolarHBondContact O-N 3.31Å; K68-A72 PolarHBondContact O-N 3.46Å; K68-A72 VanDerWaalsContact O-N 3.16Å
69E70.6Confident69Low131 Ų131113.7 Ų113.761%0.61255%0.55SS**Hα-helixtrans-64.6-42.9175.9-169.4174.3-168.700111.6S65 K66 E67 F71 A72 D73S65-E69 PolarHBondContact O-N 3.01Å; S65-E69 VanDerWaalsContact O-N 3.13Å; K66-E69 PolarHBondContact O-N 3.05Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 3.11Å; E69-F71 VanDerWaalsContact C-N 3.29Å; E69-F71 PolarHBondContact O-N 3.46Å; E69-A72 PolarHBondContact O-N 2.9Å; E69-D73 PolarHBondContact O-N 3.37Å
70Y56.6Low66.9Low178 Ų178112.8 Ų112.870%0.69856%0.562SS**Hα-helixtrans-63.5-33.6177.4-164.1-98.4000113.1K66 E67 S74K66-Y70 PolarHBondContact O-N 3.07Å; E67-Y70 PolarHBondContact O-N 3.41Å; Y70-S74 PolarHBondContact O-N 3.1Å; Y70-S74 PolarHBondContact O-OG 3.15Å
71F55.9Low64.9Low104 Ų104120 Ų12046%0.45658%0.583SS.*Hα-helixtrans-72.7-35.1175.2-77.2-63.8000113.2E67 K68 E69 Y75E67-F71 HydrophobicContact CG-CD2 3.78Å; E67-F71 HydrophobicContact CG-CE2 3.41Å; E67-F71 VanDerWaalsContact CG-CE2 3.41Å; E67-F71 WeakPolarHBondContact O-CD2 3.45Å; E67-F71 PolarHBondContact O-N 3.21Å; E67-F71 VanDerWaalsContact O-N 3.08Å; K68-F71 PolarHBondContact O-N 3.31Å; E69-F71 VanDerWaalsContact C-N 3.29Å; E69-F71 PolarHBondContact O-N 3.46Å; F71-Y75 PolarHBondContact O-N 2.89Å
72A56.3Low63.2Low63 Ų63120.4 Ų120.452%0.52159%0.589SS.*Hα-helixtrans-63.1-47.6177.100000111.7K68 E69 S74K68-A72 PolarHBondContact O-N 3.46Å; K68-A72 VanDerWaalsContact O-N 3.16Å; E69-A72 PolarHBondContact O-N 2.9Å; A72-S74 VanDerWaalsContact C-N 3.35Å; A72-S74 PolarHBondContact O-N 2.97Å
73D53.4Low61.4Low109 Ų109122 Ų12258%0.58360%0.598SS**Hα-helixtrans-69.6-29.9-177.1-79.6-8.1000113.7E69E69-D73 PolarHBondContact O-N 3.37Å
74S54.9Low59.5Low37 Ų37125.5 Ų125.526%0.25961%0.612SS.*Hα-helixtrans-85.7-27.1-176.5840000113.8Y70 A72 K78Y70-S74 PolarHBondContact O-N 3.1Å; Y70-S74 PolarHBondContact O-OG 3.15Å; A72-S74 VanDerWaalsContact C-N 3.35Å; A72-S74 PolarHBondContact O-N 2.97Å; S74-K78 PolarHBondContact O-N 3.28Å
75Y47.7Very low57.4Low161 Ų161127.4 Ų127.463%0.63162%0.618SS**Hα-helixtrans-70.8-44.5179.4-107.2-89.9000111.6F71 K77 K78 T79F71-Y75 PolarHBondContact O-N 2.89Å; Y75-K77 PolarHBondContact O-N 3.07Å; Y75-K78 PolarHBondContact O-N 3.17Å; Y75-T79 PolarHBondContact O-N 2.78Å; Y75-T79 PolarHBondContact O-OG1 3.11Å
76E52.1Low56.1Low170 Ų170128.5 Ų128.579%0.79462%0.624SS**Hα-helixtrans-68.5-33.9-176.3-151.5179.9-161.200112.6
77K55.1Low54.6Low184 Ų184129.6 Ų129.680%0.863%0.631SS**Hα-helixtrans-76.1-28178.9-77.3179.1-179.9167.40114.4Y75Y75-K77 PolarHBondContact O-N 3.07Å
78K53.3Low53.3Low183 Ų183130.7 Ų130.780%0.79664%0.64SS**Hα-helixtrans-92.4-30.5-175.4-78.8-177.3179174.50113.7S74 Y75 G80S74-K78 PolarHBondContact O-N 3.28Å; Y75-K78 PolarHBondContact O-N 3.17Å; K78-G80 VanDerWaalsContact C-N 3.28Å; K78-G80 PolarHBondContact O-N 3.38Å; K78-G80 VanDerWaalsContact O-N 3.14Å
79T50.1Low52.1Low88 Ų88132.1 Ų132.154%0.5465%0.646SS.*SBendtrans-88.874.2172.162.20000108.7Y75 R81Y75-T79 PolarHBondContact O-N 2.78Å; Y75-T79 PolarHBondContact O-OG1 3.11Å; T79-R81 PolarHBondContact O-N 3.13Å
80G45.9Very low50.9Low58 Ų58135.5 Ų135.560%0.59866%0.655SS**  trans-47.9120.8162.900000107.4K78 V82K78-G80 VanDerWaalsContact C-N 3.28Å; K78-G80 PolarHBondContact O-N 3.38Å; K78-G80 VanDerWaalsContact O-N 3.14Å; G80-V82 WeakPolarHBondContact O-CG2 3.38Å; G80-V82 PolarHBondContact O-N 3.45Å
81R49.8Very low50.4Low230 Ų230131.7 Ų131.787%0.86865%0.654SS**  trans-28.696.3-176-116.4177.5174.2165.9-2.5110.6T79 N83T79-R81 PolarHBondContact O-N 3.13Å; R81-N83 PolarHBondContact O-N 3.45Å
82V55.2Low49.7Very low100 Ų100137.3 Ų137.361%0.60667%0.672SS**  trans-7691.8170.2-178.10000103.7G80 F84G80-V82 WeakPolarHBondContact O-CG2 3.38Å; G80-V82 PolarHBondContact O-N 3.45Å; V82-F84 HydrophobicContact CB-CE2 4.19Å; V82-F84 HydrophobicContact CG1-CD2 4.31Å; V82-F84 HydrophobicContact CG1-CE1 4.36Å; V82-F84 HydrophobicContact CG1-CE2 4.08Å; V82-F84 HydrophobicContact CG1-CZ 4.11Å; V82-F84 VanDerWaalsContact O-CD2 3.26Å; V82-F84 WeakPolarHBondContact O-CD2 3.36Å; V82-F84 PolarHBondContact O-N 3.09Å
83N51.8Low49.2Very low137 Ų137141.3 Ų141.373%0.73368%0.683SS**  trans-63.193.7168.9-77.5-17.9000106.3R81 H85R81-N83 PolarHBondContact O-N 3.45Å; N83-H85 VanDerWaalsContact C-N 3.34Å; N83-H85 PolarHBondContact O-N 3.43Å
84F48.9Very low48.8Very low174 Ų174142 Ų14276%0.76369%0.686SS**  trans-61.3102167.5-71.8-84.5000106.8V82 P86V82-F84 HydrophobicContact CB-CE2 4.19Å; V82-F84 HydrophobicContact CG1-CD2 4.31Å; V82-F84 HydrophobicContact CG1-CE1 4.36Å; V82-F84 HydrophobicContact CG1-CE2 4.08Å; V82-F84 HydrophobicContact CG1-CZ 4.11Å; V82-F84 VanDerWaalsContact O-CD2 3.26Å; V82-F84 WeakPolarHBondContact O-CD2 3.36Å; V82-F84 PolarHBondContact O-N 3.09Å; F84-P86 VanDerWaalsContact O-CD 3.28Å; F84-P86 WeakPolarHBondContact O-CD 3.33Å
85H41.4Very low48Very low120 Ų120143.9 Ų143.956%0.55670%0.699SS**  trans-69.2116.4171.4-165.4-83.7000106.5N83 Q87 L88N83-H85 VanDerWaalsContact C-N 3.34Å; N83-H85 PolarHBondContact O-N 3.43Å; H85-Q87 VanDerWaalsContact ND1-CB 3.28Å; H85-Q87 WeakPolarHBondContact ND1-CB 3.39Å; H85-Q87 PolarHBondContact O-N 3.03Å; H85-L88 PolarHBondContact O-N 3.41Å
86P53Low48.1Very low97 Ų97144.7 Ų144.763%0.6371%0.708SS**G310 helixtrans-58.5-17.4-172.319.2-30.5000113.6F84 L88F84-P86 VanDerWaalsContact O-CD 3.28Å; F84-P86 WeakPolarHBondContact O-CD 3.33Å; P86-L88 VanDerWaalsContact C-N 3.29Å; P86-L88 PolarHBondContact O-N 3.08Å
87Q48Very low47.8Very low152 Ų152143 Ų14371%0.7171%0.705SS**G310 helixtrans-71.2-13.5175-136.779.620.900115.3H85 F89H85-Q87 VanDerWaalsContact ND1-CB 3.28Å; H85-Q87 WeakPolarHBondContact ND1-CB 3.39Å; H85-Q87 PolarHBondContact O-N 3.03Å; Q87-F89 VanDerWaalsContact C-N 3.33Å
88L46.1Very low47.4Very low127 Ų127138.2 Ų138.267%0.66569%0.694SS**G310 helixtrans-90.911.1-179.7-68.2178.4000113.9H85 P86 Y90H85-L88 PolarHBondContact O-N 3.41Å; P86-L88 VanDerWaalsContact C-N 3.29Å; P86-L88 PolarHBondContact O-N 3.08Å; L88-Y90 HydrophobicContact CD2-CE2 4.24Å; L88-Y90 PolarHBondContact O-N 3.42Å
89F48.2Very low47.1Very low172 Ų172133.2 Ų133.275%0.75468%0.682SS**  trans-67.873160.4-84.2-90.4000109.6Q87 S91Q87-F89 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 2.99Å
90Y44.4Very low47.2Very low202 Ų202136.7 Ų136.779%0.79269%0.692SS**  trans-71.192.4153.5-71.7-73.4000106.1L88 R92L88-Y90 HydrophobicContact CD2-CE2 4.24Å; L88-Y90 PolarHBondContact O-N 3.42Å; Y90-R92 PolarHBondContact O-N 3.16Å
91S46Very low47.2Very low97 Ų97140.6 Ų140.668%0.67870%0.699SS**  trans-56.492.5160.5-58.40000106.9F89 I93F89-S91 PolarHBondContact O-N 2.99Å; S91-I93 PolarHBondContact O-N 2.91Å
92R41Very low47.5Very low223 Ų223136 Ų13684%0.84269%0.691SS**  trans-66.292.7158.7-175.8177.5-68.7-161.5-1.3104.1Y90 I94Y90-R92 PolarHBondContact O-N 3.16Å; R92-I94 VanDerWaalsContact C-N 3.26Å; R92-I94 PolarHBondContact O-N 2.83Å
93I46.7Very low47.3Very low146 Ų146137.8 Ų137.875%0.74970%0.697SS**  trans-59.2102.4168.3-41.4172.7000103.5S91 S95S91-I93 PolarHBondContact O-N 2.91Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 2.91Å
94I45Very low46.9Very low124 Ų124138.5 Ų138.564%0.63670%0.701SS**  trans-68.899.6169.5-56.7171.5000102.9R92 Q96R92-I94 VanDerWaalsContact C-N 3.26Å; R92-I94 PolarHBondContact O-N 2.83Å; I94-Q96 PolarHBondContact O-N 2.98Å; I94-Q96 VanDerWaalsContact O-N 3.16Å
95S38.8Very low47Very low76 Ų76136.9 Ų136.953%0.53169%0.694SS.*  trans-52.3124.4168.8-72.80000106.9I93 D97 S98I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 2.91Å; S95-D97 PolarHBondContact O-N 3.43Å; S95-S98 PolarHBondContact O-N 3.43Å
96Q49.7Very low47.5Very low179 Ų179134.3 Ų134.384%0.83669%0.689SS**G310 helixtrans-56.3-21.1-178.8-72.4178.6-21.700112I94 S98I94-Q96 PolarHBondContact O-N 2.98Å; I94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.3Å
97D45.5Very low47.7Very low134 Ų134137.5 Ų137.572%0.71770%0.696SS**G310 helixtrans-82-0.7178.7-50.2-27.6000114.2S95S95-D97 PolarHBondContact O-N 3.43Å
98S45.5Very low48.3Very low83 Ų83136 Ų13658%0.5869%0.693SS**G310 helixtrans-95.53.6179.4-176.60000113.8S95 Q96 E100S95-S98 PolarHBondContact O-N 3.43Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.3Å; S98-E100 PolarHBondContact O-N 3.49Å
99C48.7Very low49Very low79 Ų79135.2 Ų135.253%0.53469%0.686SS.*G310 helixtrans-813.4-178.8-67.70000114
100E50.5Low49.6Very low160 Ų160132.3 Ų132.375%0.74868%0.676SS**G310 helixtrans-79-19.6-177.3-77.8152.1-179.600113.6S98 L102S98-E100 PolarHBondContact O-N 3.49Å; E100-L102 PolarHBondContact O-N 3.28Å
101D47.9Very low50.4Low141 Ų141126.7 Ų126.775%0.75466%0.659SS**G310 helixtrans-82.4-4.4-179-93.40.6000115
102L54.2Low51Low134 Ų134128.4 Ų128.470%0.70266%0.657SS**G310 helixtrans-94.71-177-64.9-177.2000114.7E100E100-L102 PolarHBondContact O-N 3.28Å
103N51Low51.8Low137 Ų137122.6 Ų122.673%0.73364%0.642SS**  trans-99.14177.2-78.9-27.6000114.3F105N103-F105 PolarHBondContact O-N 2.86Å
104D44.7Very low52.4Low152 Ų152119.4 Ų119.481%0.81363%0.629SS**  trans-78.456.1168.8-88.20.2000111S106D104-S106 PolarHBondContact O-N 3.45Å
105F50.9Low53Low140 Ų140121 Ų12161%0.61463%0.631SS**  trans-78.6102.6152.9-69.8-76.2000106N103 E107N103-F105 PolarHBondContact O-N 2.86Å; F105-E107 PolarHBondContact O-N 3.49Å
106S51.8Low53.6Low66 Ų66123.7 Ų123.746%0.46264%0.639SS.*  trans-59.5140.1175.976.30000109.3D104 D108 E109D104-S106 PolarHBondContact O-N 3.45Å; S106-D108 PolarHBondContact O-N 3.4Å; S106-E109 PolarHBondContact O-N 3.03Å
107E57.9Low53.7Low163 Ų163119.5 Ų119.576%0.76263%0.63SS**Hα-helixtrans-51.9-25.9177.5-115.5176169.400112.4F105 M110 N111F105-E107 PolarHBondContact O-N 3.49Å; E107-M110 PolarHBondContact O-N 3.4Å; E107-N111 WeakPolarHBondContact O-CB 3.4Å; E107-N111 VanDerWaalsContact O-CG 3.26Å; E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.98Å; E107-N111 VanDerWaalsContact O-ND2 3.08Å
108D59.1Low53.3Low121 Ų121120.2 Ų120.265%0.64763%0.628SS**Hα-helixtrans-64.3-38.9177.1-67.1-26.5000112.9S106 N111 E112S106-D108 PolarHBondContact O-N 3.4Å; D108-N111 PolarHBondContact O-N 3.46Å; D108-E112 PolarHBondContact O-N 2.89Å
109E61Low52.9Low111 Ų111122.7 Ų122.752%0.51964%0.635SS.*Hα-helixtrans-71.3-36.3-179.4-157.5174.2-158.800111.1S106 E112 L113S106-E109 PolarHBondContact O-N 3.03Å; E109-E112 PolarHBondContact O-N 3.48Å; E109-L113 WeakPolarHBondContact O-CG 3.3Å; E109-L113 PolarHBondContact O-N 3.2Å
110M62Low52.6Low111 Ų111126.5 Ų126.555%0.54765%0.651SS.*Hα-helixtrans-70.6-32.3173.7-68.3-63.9-75.900112.6E107 L113 T114E107-M110 PolarHBondContact O-N 3.4Å; M110-L113 PolarHBondContact O-N 3.5Å; M110-L113 HydrophobicContact SD-CD1 3.93Å; M110-T114 PolarHBondContact O-N 3.31Å; M110-T114 PolarHBondContact O-OG1 3.42Å
111N59.6Low51.7Low83 Ų83122.5 Ų122.544%0.44465%0.652SS.*Hα-helixtrans-71.3-33.8175-76.7-34.8000112.5E107 D108 T114 K115E107-N111 WeakPolarHBondContact O-CB 3.4Å; E107-N111 VanDerWaalsContact O-CG 3.26Å; E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.98Å; E107-N111 VanDerWaalsContact O-ND2 3.08Å; D108-N111 PolarHBondContact O-N 3.46Å; N111-T114 PolarHBondContact O-N 2.99Å; N111-K115 WeakPolarHBondContact O-CG 3.43Å; N111-K115 PolarHBondContact O-N 2.93Å
112E60.1Low51.1Low133 Ų133123.5 Ų123.562%0.62166%0.657SS**Hα-helixtrans-63.6-40.3170.7-82.9-140.5152.800112.4D108 E109 T114 K115 L116D108-E112 PolarHBondContact O-N 2.89Å; E109-E112 PolarHBondContact O-N 3.48Å; E112-T114 VanDerWaalsContact C-N 3.26Å; E112-T114 PolarHBondContact O-N 2.97Å; E112-K115 PolarHBondContact O-N 3.2Å; E112-L116 PolarHBondContact O-N 3.15Å
113L57.5Low50.1Low102 Ų102122.9 Ų122.953%0.53466%0.66SS.*Hα-helixtrans-62.3-34.7176-67.8173.4000112.4E109 M110 S117E109-L113 WeakPolarHBondContact O-CG 3.3Å; E109-L113 PolarHBondContact O-N 3.2Å; M110-L113 PolarHBondContact O-N 3.5Å; M110-L113 HydrophobicContact SD-CD1 3.93Å; L113-S117 PolarHBondContact O-N 3.45Å
114T59.4Low49.3Very low79 Ų79122.7 Ų122.749%0.48566%0.663SS.*Hα-helixtrans-71-36.4177.5-47.80000111.4M110 N111 E112 S117M110-T114 PolarHBondContact O-N 3.31Å; M110-T114 PolarHBondContact O-OG1 3.42Å; N111-T114 PolarHBondContact O-N 2.99Å; E112-T114 VanDerWaalsContact C-N 3.26Å; E112-T114 PolarHBondContact O-N 2.97Å; T114-S117 PolarHBondContact O-N 2.93Å
115K56.7Low48.7Very low156 Ų156120.9 Ų120.968%0.67866%0.662SS**Hα-helixtrans-69.6-37.6177.2-70.9173.9-176.1173.90113N111 E112 S117 H118N111-K115 WeakPolarHBondContact O-CG 3.43Å; N111-K115 PolarHBondContact O-N 2.93Å; E112-K115 PolarHBondContact O-N 3.2Å; K115-S117 VanDerWaalsContact C-N 3.28Å; K115-S117 PolarHBondContact O-N 3.04Å; K115-H118 PolarHBondContact O-N 3.07Å
116L52.7Low47.9Very low133 Ų133123.4 Ų123.470%0.69667%0.673SS**Hα-helixtrans-70.4-24.7177.2-74.8167.5000113.1E112E112-L116 PolarHBondContact O-N 3.15Å
117S50.4Low47.1Very low91 Ų91125.9 Ų125.964%0.63669%0.688SS**THydrogen-bonded Turntrans-80.8-14.7178.1-1770000113.7L113 T114 K115L113-S117 PolarHBondContact O-N 3.45Å; T114-S117 PolarHBondContact O-N 2.93Å; K115-S117 VanDerWaalsContact C-N 3.28Å; K115-S117 PolarHBondContact O-N 3.04Å
118H37Very low45.8Very low149 Ų149124.7 Ų124.769%0.6969%0.685SS**  trans-107.135-172.2-88.345.1000114.4K115K115-H118 PolarHBondContact O-N 3.07Å
119N38.8Very low44.5Very low136 Ų136127.3 Ų127.373%0.72770%0.695SS**  trans-111.663.5162.1-76-39.1000109.5
120D40.8Very low43.2Very low159 Ų159128.1 Ų128.185%0.8570%0.703SS**SBendtrans-160.3112.4146.1-88.4-34.8000106.4D122D120-D122 PolarHBondContact O-N 3.41Å; D120-D122 VanDerWaalsContact O-N 3.11Å
121G31.9Very low41.8Very low76 Ų76126.9 Ų126.978%0.78471%0.711SS**  trans-67.3108.2-179.700000109.7
122D36.3Very low40.3Very low161 Ų161130.2 Ų130.286%0.86173%0.729SS**  trans-154.7140.8137-105.4-25.6000111.7D120D120-D122 PolarHBondContact O-N 3.41Å; D120-D122 VanDerWaalsContact O-N 3.11Å
123T33.5Very low39.1Very low122 Ų122131.4 Ų131.475%0.74874%0.738SS**  trans-61.8137.4-164.235.10000116.6
124V32.9Very low37.7Very low132 Ų132137 Ų13780%0.875%0.752SS**  trans70.396.2145.2-1720000117.4
125S32.1Very low36.4Very low115 Ų115140.9 Ų140.980%0.80477%0.765SS**  trans-162.2107.9130.2-79.10000109.5
126K33.7Very low35.4Very low193 Ų193139.4 Ų139.484%0.83977%0.774SS**  trans-60.7130.3172.3-65.2176.3178.1179.90108.8I128K126-I128 PolarHBondContact O-N 3.05Å; K126-I128 VanDerWaalsContact O-N 3.1Å
127P35.3Very low34.3Very low118 Ų118140.6 Ų140.677%0.76678%0.776SS**  trans-68.6111.2164.826.5-28.5000107.7M129P127-M129 PolarHBondContact O-N 2.89Å
128I31.9Very low33.3Very low137 Ų137144.5 Ų144.570%0.70378%0.784SS**  trans-65.4100.2170.4-65.6173.5000106.5K126 N130K126-I128 PolarHBondContact O-N 3.05Å; K126-I128 VanDerWaalsContact O-N 3.1Å; I128-N130 VanDerWaalsContact C-N 3.27Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.49Å; I128-N130 PolarHBondContact O-N 2.9Å
129M31.6Very low33Very low177 Ų177149.1 Ų149.187%0.87280%0.795SS**  trans-62.888.7165.6-81.6-149.6-81.800109P127 A131P127-M129 PolarHBondContact O-N 2.89Å; M129-A131 VanDerWaalsContact C-N 3.26Å; M129-A131 PolarHBondContact O-N 3.44Å
130N32.6Very low32.6Very low127 Ų127149.1 Ų149.168%0.67980%0.8SS**  trans-86.178.6162.7-75.1-12.7000108.3I128 N132I128-N130 VanDerWaalsContact C-N 3.27Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.49Å; I128-N130 PolarHBondContact O-N 2.9Å; N130-N132 PolarHBondContact O-N 2.79Å
131A32.3Very low32.3Very low85 Ų85146.5 Ų146.570%0.70280%0.795SS**  trans-65.482.6160.600000109M129 L133M129-A131 VanDerWaalsContact C-N 3.26Å; M129-A131 PolarHBondContact O-N 3.44Å; A131-L133 PolarHBondContact O-N 2.96Å
132N29.6Very low32.3Very low154 Ų154148.6 Ų148.682%0.82479%0.792SS**  trans-80.468.7162-81-44000109N130 R134N130-N132 PolarHBondContact O-N 2.79Å; N132-R134 PolarHBondContact O-N 3.14Å; N132-R134 VanDerWaalsContact O-N 3.16Å
133L33.7Very low32Very low157 Ų157148.5 Ų148.582%0.82279%0.79SS**  trans-82.965.3169.9-162.886.2000109A131A131-L133 PolarHBondContact O-N 2.96Å
134R28.9Very low31.9Very low219 Ų219147.5 Ų147.583%0.82679%0.785SS**  trans-142.893.5168.9-75.2-155178.6-153.10.7113.7N132N132-R134 PolarHBondContact O-N 3.14Å; N132-R134 VanDerWaalsContact O-N 3.16Å
135H32.1Very low31.7Very low162 Ų162143.4 Ų143.475%0.7577%0.77SS**  trans63.885.9131.2-57.121.2000116.1
136S34.9Very low31.8Very low124 Ų124144.5 Ų144.587%0.86777%0.774SS**  trans-110.880.8144.4-178.20000107.7
137Q29.9Very low31.7Very low159 Ų159140.6 Ų140.674%0.74377%0.767SS**  trans-76.7147.5152.1-72179.1-11.300107.2
138Q29.2Very low31.5Very low173 Ų173142.2 Ų142.281%0.80877%0.769SS**  trans87.891166.1-48.6179.71.600116
139R32.1Very low31.4Very low245 Ų245142.6 Ų142.693%0.92577%0.771SS**  -160.4106.4103.6-102.4172.4162.6-154.8-9.7111.3
140T29.8Very low31.4Very low136 Ų136139.7 Ų139.783%0.83476%0.763SS**  trans-42.8144149.443.80000110.8
141S33.3Very low31.4Very low105 Ų105142.9 Ų142.973%0.73477%0.774SS**  trans148107.7135179.70000112.2
142V32Very low31.2Very low119 Ų119144.7 Ų144.772%0.72177%0.772SS**  trans67.391.3152.6-169.30000115.7P144V142-P144 VanDerWaalsContact O-CD 3.27Å; V142-P144 WeakPolarHBondContact O-CD 3.44Å
143I31Very low31.3Very low159 Ų159143.8 Ų143.882%0.81577%0.767SS**  trans-58.4115.4147.6-59.3166.7000106.4G145I143-G145 PolarHBondContact O-N 3.09Å
144P31Very low31.2Very low101 Ų101144.8 Ų144.866%0.65677%0.772SS**  trans-66.1121.6160.5-6.824.3000105.9V142V142-P144 VanDerWaalsContact O-CD 3.27Å; V142-P144 WeakPolarHBondContact O-CD 3.44Å
145G28.4Very low31.1Very low46 Ų46137.5 Ų137.547%0.47477%0.765SS.*  trans-53.4165.1168.700000111.2I143 V147I143-G145 PolarHBondContact O-N 3.09Å; G145-V147 PolarHBondContact O-N 2.79Å
146P34.8Very low31.1Very low138 Ų138141 Ų14190%0.89677%0.772SS**  trans-55.3110.8-171.423.1-33000110.4N148P146-N148 PolarHBondContact O-N 3.38Å; P146-N148 VanDerWaalsContact O-N 3.09Å
147V31.7Very low30.7Very low112 Ų112144.1 Ų144.168%0.67977%0.773SS**  trans-70.5107.4168.5177.80000105.8G145 I149G145-V147 PolarHBondContact O-N 2.79Å; V147-I149 HydrophobicContact CG1-CG1 4.38Å; V147-I149 PolarHBondContact O-N 3.32Å
148N29.8Very low30.8Very low152 Ų152140.6 Ų140.681%0.81377%0.77SS**  trans-59.390.9163.6-116.1-15.5000107.4P146 T150P146-N148 PolarHBondContact O-N 3.38Å; P146-N148 VanDerWaalsContact O-N 3.09Å; N148-T150 PolarHBondContact O-N 3.02Å
149I30.6Very low30.9Very low145 Ų145137.9 Ų137.974%0.74477%0.77SS**  trans-79.387163.8-15.7177.5000105.3V147 E151V147-I149 HydrophobicContact CG1-CG1 4.38Å; V147-I149 PolarHBondContact O-N 3.32Å; I149-E151 PolarHBondContact O-N 2.84Å
150T31.1Very low30.7Very low115 Ų115133.6 Ų133.671%0.70677%0.765SS**  trans-52.8126159.420.60000108.2N148 N152N148-T150 PolarHBondContact O-N 3.02Å; T150-N152 PolarHBondContact O-N 3.49Å
151E33.2Very low30.7Very low194 Ų194134 Ų13491%0.90776%0.76SS**  trans-40.999.6173.6-65.1174160.400111.3I149I149-E151 PolarHBondContact O-N 2.84Å
152N28.3Very low30.7Very low124 Ų124136.3 Ų136.366%0.66376%0.764SS**  trans-112.190.5165.681.3-30.1000110.4T150 L154T150-N152 PolarHBondContact O-N 3.49Å; N152-L154 PolarHBondContact O-N 3.32Å
153N31.6Very low30.7Very low134 Ų134139.3 Ų139.372%0.71777%0.767SS**  trans43.374.3130.3-62.7-64.5000117.4
154L31.4Very low30.6Very low178 Ų178140.4 Ų140.493%0.93277%0.769SS**  trans-151.3119142.6-85.1119.6000106N152N152-L154 PolarHBondContact O-N 3.32Å
155G27.7Very low30.6Very low66 Ų66142.9 Ų142.968%0.6878%0.777SS**  cis-146.2131.511.700000110.5Q157G155-Q157 VanDerWaalsContact C-N 3.28Å; G155-Q157 PolarHBondContact O-N 2.87Å
156R30.5Very low30.6Very low237 Ų237148.3 Ų148.389%0.89480%0.795SS**  trans-6287157-67175.9172.6-138.9-0.8109.4
157Q28.1Very low30.6Very low189 Ų189148.3 Ų148.388%0.88379%0.792SS**  trans-154.6112.9156.5-65.1-158.354.500105G155G155-Q157 VanDerWaalsContact C-N 3.28Å; G155-Q157 PolarHBondContact O-N 2.87Å
158A31.1Very low30.4Very low84 Ų84151.5 Ų151.569%0.69480%0.799SS**  cis-152112.119.600000108.4
159S30.7Very low30.5Very low116 Ų116151.7 Ų151.781%0.81180%0.796SS**  trans-102.573.7157.8-67.20000107.3I161S159-I161 PolarHBondContact O-N 3.02Å
160L28.5Very low30.4Very low155 Ų155150.9 Ų150.981%0.81280%0.8SS**  trans-7083.9153.3-81165.9000106L162L160-L162 PolarHBondContact O-N 3.2Å
161I29.9Very low30.2Very low144 Ų144150 Ų15074%0.73879%0.79SS**  trans-67.588.7160.2-61.1171.9000104.8S159 K163S159-I161 PolarHBondContact O-N 3.02Å; I161-K163 PolarHBondContact O-N 3.4Å; I161-K163 VanDerWaalsContact O-N 3.15Å
162L33.4Very low29.9Very low154 Ų154150.3 Ų150.381%0.80678%0.783SS**  trans-61.7111.2158.9-89.9154.6000105.8L160 E164L160-L162 PolarHBondContact O-N 3.2Å; L162-E164 PolarHBondContact O-N 3.23Å; L162-E164 VanDerWaalsContact O-N 3.1Å
163K30.8Very low30.1Very low182 Ų182151.4 Ų151.479%0.79179%0.789SS**  trans-49.7113.8174.2-73.1172.8173.1178.30109.2I161 N165I161-K163 PolarHBondContact O-N 3.4Å; I161-K163 VanDerWaalsContact O-N 3.15Å; K163-N165 PolarHBondContact O-N 2.79Å
164E30.7Very low30Very low182 Ų182149.8 Ų149.885%0.8579%0.789SS**PPolyproline II helixtrans-59.5121.8160.4-67.9-17916000107.7L162 N166L162-E164 PolarHBondContact O-N 3.23Å; L162-E164 VanDerWaalsContact O-N 3.1Å; E164-N166 PolarHBondContact O-N 3.23Å
165N29.6Very low29.6Very low154 Ų154146.9 Ų146.982%0.82478%0.778SS**PPolyproline II helixtrans-71.7117.5172.6-76.6-46.1000108.3K163 V167K163-N165 PolarHBondContact O-N 2.79Å; N165-V167 PolarHBondContact O-N 3.32Å
166N29.1Very low29.6Very low160 Ų160150.3 Ų150.386%0.85678%0.781SS**PPolyproline II helixtrans-53.5124.8165-65.3-54.7000110.5E164E164-N166 PolarHBondContact O-N 3.23Å
167V34.7Very low29.7Very low138 Ų138146 Ų14684%0.83678%0.776SS**  trans-123.286.1152.2179.50000107N165N165-V167 PolarHBondContact O-N 3.32Å
168E28.3Very low29.7Very low178 Ų178142.3 Ų142.383%0.83277%0.766SS**  trans34.2108.6131.7-141.8164.5-172.500119.4
169E30.5Very low29.9Very low157 Ų157146 Ų14673%0.73477%0.774SS**  trans3.1150.7135.8-109.1-173.1-16300120.3
170P28.1Very low29.8Very low127 Ų127147.1 Ų147.183%0.82577%0.769SS**  -135.5126.789.133.4-18.6000114.8
171D26.9Very low30.1Very low96 Ų96146.3 Ų146.351%0.51377%0.771SS.*  trans-45.6150.7144.3177.930.3000111.6
172R28.6Very low29.9Very low201 Ų201150 Ų15076%0.75878%0.776SS**  trans156.6131.2133-78.7-80.4166.1137.36.7112.7
173N31.9Very low29.6Very low147 Ų147148.1 Ų148.179%0.78677%0.771SS**  trans97.5133154.1-59-9.7000116.1
174S29Very low29.7Very low101 Ų101146.1 Ų146.171%0.70677%0.769SS**  cis-172.4134.1-11.4-176.90000104.9
175T24.4Very low29.7Very low116 Ų116145.4 Ų145.471%0.71277%0.771SS**  trans-43.2138.9153.7-22.80000110.7
176D27.2Very low30.1Very low139 Ų139144.5 Ų144.574%0.74377%0.771SS**  164.5151.9118.1-83-21.4000114.7
177N33Very low30.3Very low146 Ų146142.2 Ų142.278%0.78176%0.763SS**  trans88.481.5162.4-72.4-19000119.9
178V26.6Very low30.3Very low112 Ų112144.7 Ų144.768%0.67976%0.762SS**  12.6114.2104.3-175.20000115.4
179N35.4Very low30.5Very low161 Ų161145.6 Ų145.686%0.86176%0.763SS**  -153.7134.4126.2-115-20.8000113.2
180I28.4Very low30.7Very low139 Ų139147.2 Ų147.271%0.71377%0.768SS**  trans-87.7135.5-176.8-68.9160.6000108.3
181T34.8Very low31.2Very low139 Ų139150.4 Ų150.485%0.85377%0.769SS**  trans-144.8112.8150.6-28.60000109.9
182R26.2Very low31.5Very low222 Ų222153.5 Ų153.584%0.83878%0.78SS**  trans-46.7151154.5-79.7171.2154.4168.6-6.6109.6
183T27.1Very low31.6Very low114 Ų114154.8 Ų154.870%0.69979%0.785SS**  cis-164.3170.947.633.10000110.3
184D33.3Very low31.8Very low140 Ų140154.1 Ų154.175%0.74979%0.786SS**  trans103.297.7154.7-55.8-32.1000118V186D184-V186 PolarHBondContact O-N 2.89Å
185D30.6Very low32.2Very low166 Ų166152.5 Ų152.589%0.88878%0.779SS**  trans-47.6105.5161.7-73.2-55.4000112.1
186V38.7Very low32.7Very low136 Ų136152.5 Ų152.582%0.82478%0.784SS**  trans-120.8106.5153.1-176.10000108.5D184D184-V186 PolarHBondContact O-N 2.89Å
187T32Very low33.2Very low112 Ų112153.6 Ų153.669%0.68779%0.788SS**  trans-59133.9175.821.90000111.7
188K34.4Very low33.4Very low190 Ų190152.2 Ų152.283%0.82678%0.78SS**  trans64103.2141.7-58.2176.5-177-179.30117.3
189K34.1Very low34.1Very low197 Ų197154.9 Ų154.986%0.85779%0.786SS**  -172.7116.8104.4-96.9178.2-174.8-175.50108.9K191K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.34Å
190K34.4Very low34.3Very low191 Ų191154.3 Ų154.383%0.8378%0.778SS**  trans-63.288.2172.8-169.7177.4-176.9178.50108.1H192K190-H192 PolarHBondContact O-N 3.13Å; K190-H192 VanDerWaalsContact O-N 3.15Å
191K38.3Very low34.8Very low193 Ų193154.1 Ų154.184%0.83978%0.778SS**  trans-66.3111167-74.5-174.7178.5179.80106.2K189 R193K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.34Å; K191-R193 PolarHBondContact O-N 3.14Å
192H32.3Very low35.1Very low162 Ų162152.3 Ų152.375%0.7576%0.763SS**  trans-54.7104.3165.4-84.6-88000107.5K190 T194K190-H192 PolarHBondContact O-N 3.13Å; K190-H192 VanDerWaalsContact O-N 3.15Å; H192-T194 VanDerWaalsContact C-N 3.28Å; H192-T194 PolarHBondContact O-N 3.27Å; H192-T194 VanDerWaalsContact O-N 3.1Å
193R32.2Very low35.9Very low228 Ų228146.9 Ų146.986%0.8675%0.751SS**  trans-80.585.7172.2-172.6176.6159.7169.6-5.4106.5K191 A195K191-R193 PolarHBondContact O-N 3.14Å; R193-A195 VanDerWaalsContact C-N 3.29Å; R193-A195 HydrophobicContact CG-CB 4.4Å; R193-A195 PolarHBondContact O-N 3.23Å
194T35Very low36.6Very low132 Ų132147.1 Ų147.181%0.8175%0.752SS**  trans-78.887.8161.2-43.30000105.8H192H192-T194 VanDerWaalsContact C-N 3.28Å; H192-T194 PolarHBondContact O-N 3.27Å; H192-T194 VanDerWaalsContact O-N 3.1Å
195A37.4Very low37Very low68 Ų68145.5 Ų145.556%0.56275%0.747SS**PPolyproline II helixtrans-83.4124.217100000108.2R193R193-A195 VanDerWaalsContact C-N 3.29Å; R193-A195 HydrophobicContact CG-CB 4.4Å; R193-A195 PolarHBondContact O-N 3.23Å
196S35Very low37.5Very low116 Ų116144.3 Ų144.381%0.81173%0.734SS**PPolyproline II helixtrans-46.9130.6-174.2-53.60000113.7N198S196-N198 PolarHBondContact O-N 2.99Å
197I38.7Very low37.5Very low161 Ų161143.7 Ų143.783%0.82673%0.725SS**PPolyproline II helixtrans-68.4121.8163.8-27.7175.6000106.1
198N35.6Very low37.7Very low117 Ų117145.6 Ų145.663%0.62673%0.729SS**PPolyproline II helixtrans-56.9133.6-175.2-161.33.9000110.2S196 Q200S196-N198 PolarHBondContact O-N 2.99Å; N198-Q200 PolarHBondContact O-N 2.79Å
199E42.5Very low38Very low169 Ų169141.7 Ų141.779%0.7972%0.722SS**THydrogen-bonded Turntrans-72.616.4-169.2-147.8173.8-173.500114
200Q38.5Very low38.2Very low149 Ų149140.4 Ų140.470%0.69672%0.716SS**THydrogen-bonded Turntrans-84.4-24.1-178.8-92.2175.8-39.200114.2N198 N202N198-Q200 PolarHBondContact O-N 2.79Å; Q200-N202 VanDerWaalsContact C-N 3.28Å; Q200-N202 PolarHBondContact O-N 3.11Å
201D38.7Very low38.3Very low135 Ų135139.8 Ų139.872%0.72272%0.716SS**G310 helixtrans-82.3-5.3-177.8-66.6-24.4000113.7N203D201-N203 PolarHBondContact O-N 3.39Å
202N42.4Very low38.3Very low100 Ų100137.3 Ų137.354%0.53572%0.717SS.*G310 helixtrans-80.37.9175.1-77.5-21.8000114.1Q200Q200-N202 VanDerWaalsContact C-N 3.28Å; Q200-N202 PolarHBondContact O-N 3.11Å
203N43.4Very low38.8Very low109 Ų109133.6 Ų133.658%0.58371%0.708SS**G310 helixtrans-81.1-23.2-179.6-154.613000113.5D201 K206D201-N203 PolarHBondContact O-N 3.39Å; N203-K206 PolarHBondContact O-N 3.38Å
204V42Very low39.1Very low118 Ų118130.3 Ų130.372%0.71571%0.708SS**SBendtrans-71.9-36.2179.2-176.20000111.1K206 I207V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 3.43Å; V204-I207 PolarHBondContact O-N 3.01Å
205T41.2Very low39.5Very low107 Ų107132.9 Ų132.966%0.65671%0.711SS**THydrogen-bonded Turntrans-75-14.4179.3-40.30000113.3
206K39.7Very low39.6Very low140 Ų140136.3 Ų136.361%0.60972%0.72SS**THydrogen-bonded Turntrans-80.5-13.9178-74.7-178.1-178.21770114.2N203 V204N203-K206 PolarHBondContact O-N 3.38Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 3.43Å
207I40Very low39.8Very low124 Ų124136.9 Ų136.964%0.63671%0.714SS**SBendtrans-77.9-26.8-176.6-62178.2000111.6V204V204-I207 PolarHBondContact O-N 3.01Å
208I36.6Very low39.7Very low151 Ų151138.8 Ų138.877%0.77472%0.719SS**G310 helixtrans-82.2-20-178.5-59.2179.7000112.8K210I208-K210 PolarHBondContact O-N 3.47Å
209T40Very low39.9Very low109 Ų109144.2 Ų144.267%0.66973%0.731SS**G310 helixtrans-887.4-179.5-29.50000114.7
210K39.1Very low39.6Very low169 Ų169142.4 Ų142.474%0.73573%0.725SS**G310 helixtrans-88.3-10.5179.8-76.4-165.7177.1-177.40115.8I208I208-K210 PolarHBondContact O-N 3.47Å
211H34.8Very low39.4Very low179 Ų179146.6 Ų146.683%0.82974%0.735SS**SBendtrans-99.81.4-175.8-87.5-71.4000116.8
212V39.9Very low39.2Very low141 Ų141147.3 Ų147.386%0.85574%0.739SS**SBendtrans-121.78.2176-164.50000113.3
213S41.8Very low38.9Very low83 Ų83148 Ų14858%0.5875%0.751SS**SBendtrans-101.910.8-177.2-169.10000115.5
214N38.5Very low38.3Very low160 Ų160152.4 Ų152.486%0.85677%0.768SS**SBendtrans-111.516.1-173.6-118.717.2000116.3
215Q42.7Very low37.9Very low185 Ų185151.1 Ų151.186%0.86477%0.765SS**SBendtrans-114.2-4178.3-74.1-111.1-35.100115.6
216N39.5Very low37.6Very low141 Ų141154.4 Ų154.475%0.75477%0.773SS**SBendtrans-116.4-0.9-176.2-83.9-10.5000117
217N40Very low37.2Very low128 Ų128159 Ų15968%0.68479%0.788SS**SBendtrans-97.1-1.6-179.6-82.6-5.4000115.7
218E37.4Very low37Very low200 Ų200157.6 Ų157.694%0.93579%0.789SS**SBendtrans-88.7-1.2179.4-139159-154.300114
219R38.2Very low37Very low231 Ų231157.6 Ų157.687%0.87279%0.79SS**SBendtrans-110.42.8-179.2-141.8178.6-160.6177.16116.4R221R219-R221 VanDerWaalsContact C-N 3.31Å; R219-R221 PolarHBondContact O-N 2.86Å
220I37.8Very low37.2Very low132 Ų132160.4 Ų160.468%0.67780%0.801SS**  trans-86.45.3-175.4-48.2-176.2000113.2
221R33.7Very low37.7Very low236 Ų236161.3 Ų161.389%0.89181%0.806SS**SBendtrans-101.473.4164.1-79.1-168.5-176.7179.63110.9R219R219-R221 VanDerWaalsContact C-N 3.31Å; R219-R221 PolarHBondContact O-N 2.86Å
222N35.3Very low38.4Very low150 Ų150158.1 Ų158.180%0.80280%0.8SS**SBendtrans163.580.5145.3-85.2-12.3000109.4
223S35.8Very low38.8Very low114 Ų114156.4 Ų156.480%0.79779%0.786SS**  trans-171.758.9152.7-78.20000109.6S225S223-S225 PolarHBondContact O-N 2.85Å
224Q30.6Very low39.4Very low202 Ų202156.4 Ų156.494%0.94478%0.783SS**  trans-84.773.2157.4-172.7168-8.900107.1
225S34.3Very low40.5Very low92 Ų92156.4 Ų156.464%0.64378%0.777SS**  trans-166.5132.5163.363.50000111.8S223S223-S225 PolarHBondContact O-N 2.85Å
226Q33Very low41.4Very low175 Ų175155.4 Ų155.482%0.81877%0.77SS**  trans87.877.8163.2-49.9-157.9-17.100117S228Q226-S228 PolarHBondContact O-N 3.23Å
227Y32.1Very low42Very low237 Ų237153.5 Ų153.593%0.92976%0.757SS**  trans-44.9114.9131.9-76.2-92.3000109
228S35.2Very low43.2Very low95 Ų95153.1 Ų153.166%0.66475%0.749SS**  trans-170.3114.5153.3-80.90000111.4Q226Q226-S228 PolarHBondContact O-N 3.23Å
229N37.4Very low44.1Very low150 Ų150148.7 Ų148.780%0.80273%0.728SS**  trans78.448.4154.8-54-32.6000119.6K231N229-K231 PolarHBondContact O-N 3.38Å
230D45.1Very low45.1Very low168 Ų168142 Ų14290%0.89871%0.71SS**  trans-73.584.9144.5-74-26.3000107.7
231K48.7Very low45.8Very low189 Ų189139.4 Ų139.482%0.82270%0.703SS**  trans-57.8124.9165.3-129.5179.9-174-175.60106N229 L233N229-K231 PolarHBondContact O-N 3.38Å; K231-L233 PolarHBondContact O-N 3.27Å; K231-L233 VanDerWaalsContact O-N 3.13Å
232P49.9Very low47Very low111 Ų111133.1 Ų133.172%0.72169%0.687SS**  trans-58124.9177.521.4-30.4000108.7T234P232-T234 PolarHBondContact O-N 2.96Å; P232-T234 VanDerWaalsContact O-N 3.15Å
233L48.1Very low47.9Very low105 Ų105131 Ų13155%0.5567%0.672SS.*  trans-45.3122.1174.6-76.4156000108.7K231 E237 K238K231-L233 PolarHBondContact O-N 3.27Å; K231-L233 VanDerWaalsContact O-N 3.13Å; L233-E237 WeakPolarHBondContact CA-OE2 3.44Å; L233-E237 HydrophobicContact CB-CB 4.37Å; L233-E237 HydrophobicContact CD2-CB 3.73Å; L233-E237 HydrophobicContact CD2-CG 4.39Å; L233-K238 HydrophobicContact CB-CG 4.07Å
234T53.9Low49Very low83 Ų83129.7 Ų129.751%0.50966%0.655SS.*  trans-62.5150.7177.453.90000109.2P232 K236 E237 K238P232-T234 PolarHBondContact O-N 2.96Å; P232-T234 VanDerWaalsContact O-N 3.15Å; T234-K236 PolarHBondContact O-N 2.86Å; T234-E237 PolarHBondContact N-OE2 2.8Å; T234-E237 PolarHBondContact O-N 2.99Å; T234-E237 PolarHBondContact OG1-OE2 3.47Å; T234-K238 PolarHBondContact O-N 2.78Å
235E61.6Low50.4Low160 Ų160122.8 Ų122.875%0.74863%0.632SS**Hα-helixtrans-50.6-34.8-178.9-73.8-179.9161.200112.3E237 K238 E239E235-E237 PolarHBondContact O-N 3.19Å; E235-K238 PolarHBondContact O-N 3.04Å; E235-E239 WeakPolarHBondContact O-CG 3.43Å; E235-E239 PolarHBondContact O-N 3.4Å
236K61.4Low51.6Low165 Ų165123 Ų12372%0.71763%0.626SS**Hα-helixtrans-57.5-39.5173.1-69.1-80.6-178.6-179.50114.1T234 N240T234-K236 PolarHBondContact O-N 2.86Å; K236-N240 PolarHBondContact O-N 2.99Å; K236-N240 VanDerWaalsContact O-N 3.16Å
237E53.6Low53.3Low100 Ų100120.6 Ų120.647%0.46761%0.613SS.*Hα-helixtrans-77.3-34.2179-69.4167.7142.900111.6L233 T234 E235 N240 S241L233-E237 WeakPolarHBondContact CA-OE2 3.44Å; L233-E237 HydrophobicContact CB-CB 4.37Å; L233-E237 HydrophobicContact CD2-CB 3.73Å; L233-E237 HydrophobicContact CD2-CG 4.39Å; T234-E237 PolarHBondContact N-OE2 2.8Å; T234-E237 PolarHBondContact O-N 2.99Å; T234-E237 PolarHBondContact OG1-OE2 3.47Å; E235-E237 PolarHBondContact O-N 3.19Å; E237-N240 PolarHBondContact O-N 3.22Å; E237-S241 WeakPolarHBondContact O-CB 3.41Å; E237-S241 PolarHBondContact O-N 2.95Å
238K64Low55.2Low120 Ų120114.1 Ų114.152%0.52260%0.595SS.*Hα-helixtrans-65.5-43.6172.7-66.5-178-177.8175.40111.4L233 T234 E235 S241 I242L233-K238 HydrophobicContact CB-CG 4.07Å; T234-K238 PolarHBondContact O-N 2.78Å; E235-K238 PolarHBondContact O-N 3.04Å; K238-S241 PolarHBondContact O-N 3.2Å; K238-I242 WeakPolarHBondContact O-CG1 3.31Å; K238-I242 PolarHBondContact O-N 2.88Å; K238-I242 VanDerWaalsContact O-N 3.08Å
239E56Low57Low107 Ų107117.3 Ų117.350%0.559%0.592SS.*Hα-helixtrans-60.5-44.2175.1-76.1176.1178.800111.9E235 S241 I242 Q243E235-E239 WeakPolarHBondContact O-CG 3.43Å; E235-E239 PolarHBondContact O-N 3.4Å; E239-S241 PolarHBondContact O-N 3.42Å; E239-I242 PolarHBondContact O-N 2.97Å; E239-Q243 WeakPolarHBondContact O-CG 3.48Å; E239-Q243 PolarHBondContact O-N 3.46Å
240N59.1Low58.7Low90 Ų90112.7 Ų112.748%0.48157%0.572SS.*Hα-helixtrans-65.8-37.8178.4-160.425.6000112K236 E237 Q243 I244K236-N240 PolarHBondContact O-N 2.99Å; K236-N240 VanDerWaalsContact O-N 3.16Å; E237-N240 PolarHBondContact O-N 3.22Å; N240-Q243 PolarHBondContact O-N 3.42Å; N240-I244 VanDerWaalsContact O-CG1 3.29Å; N240-I244 WeakPolarHBondContact O-CG1 3.47Å; N240-I244 PolarHBondContact O-N 3.43Å
241S54.2Low60.4Low78 Ų78109.5 Ų109.555%0.54555%0.554SS.*Hα-helixtrans-67.3-36177.2-165.80000113E237 K238 E239 A245E237-S241 WeakPolarHBondContact O-CB 3.41Å; E237-S241 PolarHBondContact O-N 2.95Å; K238-S241 PolarHBondContact O-N 3.2Å; E239-S241 PolarHBondContact O-N 3.42Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.48Å; S241-A245 VanDerWaalsContact O-N 3.14Å
242I58.8Low62Low105 Ų105105.3 Ų105.354%0.53854%0.538SS..Hα-helixtrans-67.4-44174.2-65.8165.8000109.9K238 E239 I244 A245 D246K238-I242 WeakPolarHBondContact O-CG1 3.31Å; K238-I242 PolarHBondContact O-N 2.88Å; K238-I242 VanDerWaalsContact O-N 3.08Å; E239-I242 PolarHBondContact O-N 2.97Å; I242-I244 PolarHBondContact O-N 3Å; I242-A245 PolarHBondContact O-N 3.31Å; I242-D246 PolarHBondContact O-N 2.87Å
243Q53.1Low63.8Low106 Ų106105.9 Ų105.950%0.49553%0.529SS..Hα-helixtrans-61.2-39.4177.3-73.4-17838.300113.2E239 N240 K247E239-Q243 WeakPolarHBondContact O-CG 3.48Å; E239-Q243 PolarHBondContact O-N 3.46Å; N240-Q243 PolarHBondContact O-N 3.42Å; Q243-K247 WeakPolarHBondContact O-CG 3.34Å; Q243-K247 PolarHBondContact O-N 3.34Å; Q243-K247 VanDerWaalsContact O-N 3.15Å
244I59.5Low65.6Low85 Ų85105.2 Ų105.244%0.43653%0.529SS..Hα-helixtrans-68.5-41.4177-64.9164.1000110.9N240 I242 K247 N248N240-I244 VanDerWaalsContact O-CG1 3.29Å; N240-I244 WeakPolarHBondContact O-CG1 3.47Å; N240-I244 PolarHBondContact O-N 3.43Å; I242-I244 PolarHBondContact O-N 3Å; I244-K247 PolarHBondContact O-N 2.9Å; I244-N248 PolarHBondContact O-N 2.87Å; I244-N248 PolarHBondContact O-ND2 2.9Å
245A60.2Low67.2Low57 Ų57103.3 Ų103.347%0.47152%0.519SS..Hα-helixtrans-64.5-40178.400000112.3S241 I242 N248 R249S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.48Å; S241-A245 VanDerWaalsContact O-N 3.14Å; I242-A245 PolarHBondContact O-N 3.31Å; A245-N248 PolarHBondContact O-N 2.88Å; A245-R249 PolarHBondContact O-N 3.33Å; A245-R249 VanDerWaalsContact O-N 3.1Å
246D59.1Low68.5Low96 Ų9699.5 Ų99.551%0.51350%0.504SS..Hα-helixtrans-66.7-40177.4-75.8-27.2000112.1I242 R249 S250I242-D246 PolarHBondContact O-N 2.87Å; D246-R249 PolarHBondContact O-N 3.06Å; D246-S250 PolarHBondContact O-N 3.43Å; D246-S250 PolarHBondContact O-OG 3.34Å
247K68.5Low69.9Low125 Ų12599.2 Ų99.254%0.54350%0.498SS..Hα-helixtrans-62.8-47.3173.8-73.6176.3-179.2-179.30112.4Q243 I244 R249 S250 D251Q243-K247 WeakPolarHBondContact O-CG 3.34Å; Q243-K247 PolarHBondContact O-N 3.34Å; Q243-K247 VanDerWaalsContact O-N 3.15Å; I244-K247 PolarHBondContact O-N 2.9Å; K247-R249 PolarHBondContact O-N 2.87Å; K247-S250 WeakPolarHBondContact CA-OG 3.41Å; K247-S250 PolarHBondContact O-N 3.46Å; K247-S250 VanDerWaalsContact O-N 3.14Å; K247-S250 PolarHBondContact O-OG 3.06Å; K247-D251 WeakPolarHBondContact O-CB 3.46Å; K247-D251 PolarHBondContact O-N 3.18Å
248N71.9Confident71.7Confident101 Ų10199.2 Ų99.254%0.5450%0.501SS..Hα-helixtrans-60.4-34.5177.4-72-20.7000112I244 A245 Q252I244-N248 PolarHBondContact O-N 2.87Å; I244-N248 PolarHBondContact O-ND2 2.9Å; A245-N248 PolarHBondContact O-N 2.88Å; N248-Q252 WeakPolarHBondContact O-CB 3.33Å; N248-Q252 PolarHBondContact O-N 3.34Å
249R72.9Confident73Confident163 Ų16399.4 Ų99.462%0.61550%0.498SS*.Hα-helixtrans-73.6-37.6176.8-168179.6-178.3-157.33112.4A245 D246 K247 K253A245-R249 PolarHBondContact O-N 3.33Å; A245-R249 VanDerWaalsContact O-N 3.1Å; D246-R249 PolarHBondContact O-N 3.06Å; K247-R249 PolarHBondContact O-N 2.87Å; R249-K253 VanDerWaalsContact O-CG 3.3Å; R249-K253 WeakPolarHBondContact O-CG 3.3Å; R249-K253 PolarHBondContact O-N 3.44Å; R249-K253 VanDerWaalsContact O-N 3.15Å
250S73Confident74.7Confident53 Ų5397 Ų9737%0.37150%0.497SS..Hα-helixtrans-65-44.8173.2560000111D246 K247 Q252 K253 V254D246-S250 PolarHBondContact O-N 3.43Å; D246-S250 PolarHBondContact O-OG 3.34Å; K247-S250 WeakPolarHBondContact CA-OG 3.41Å; K247-S250 PolarHBondContact O-N 3.46Å; K247-S250 VanDerWaalsContact O-N 3.14Å; K247-S250 PolarHBondContact O-OG 3.06Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-Q252 PolarHBondContact O-N 3.28Å; S250-K253 WeakPolarHBondContact O-CB 3.47Å; S250-K253 PolarHBondContact O-N 2.75Å; S250-K253 VanDerWaalsContact O-N 3.07Å; S250-V254 WeakPolarHBondContact O-CG2 3.28Å; S250-V254 PolarHBondContact O-N 3.45Å
251D80.5Confident76.3Confident100 Ų10097 Ų9754%0.53549%0.493SS..Hα-helixtrans-65-40.4-177.7-63.5-7.8000110.9K247 K253 V254 S255K247-D251 WeakPolarHBondContact O-CB 3.46Å; K247-D251 PolarHBondContact O-N 3.18Å; D251-K253 VanDerWaalsContact C-N 3.34Å; D251-K253 PolarHBondContact O-N 3.12Å; D251-V254 PolarHBondContact O-N 3.18Å; D251-S255 VanDerWaalsContact O-CB 3.28Å; D251-S255 WeakPolarHBondContact O-CB 3.38Å; D251-S255 PolarHBondContact O-N 3.39Å
252Q83.8Confident78.1Confident101 Ų10197.6 Ų97.647%0.47249%0.493SS..Hα-helixtrans-63.6-38.8173.5-172.362.637.700112.4N248 S250 N256N248-Q252 WeakPolarHBondContact O-CB 3.33Å; N248-Q252 PolarHBondContact O-N 3.34Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-Q252 PolarHBondContact O-N 3.28Å; Q252-N256 PolarHBondContact NE2-OD1 2.99Å; Q252-N256 WeakPolarHBondContact O-CB 3.5Å; Q252-N256 PolarHBondContact O-N 3.43Å
253K86Confident79.7Confident124 Ų12498.4 Ų98.454%0.53950%0.498SS..Hα-helixtrans-65.5-44.9176.4-77.5174.7178.4-177.60111.4R249 S250 D251 N256 W257R249-K253 VanDerWaalsContact O-CG 3.3Å; R249-K253 WeakPolarHBondContact O-CG 3.3Å; R249-K253 PolarHBondContact O-N 3.44Å; R249-K253 VanDerWaalsContact O-N 3.15Å; S250-K253 WeakPolarHBondContact O-CB 3.47Å; S250-K253 PolarHBondContact O-N 2.75Å; S250-K253 VanDerWaalsContact O-N 3.07Å; D251-K253 VanDerWaalsContact C-N 3.34Å; D251-K253 PolarHBondContact O-N 3.12Å; K253-N256 PolarHBondContact O-N 3.2Å; K253-W257 WeakPolarHBondContact O-CB 3.33Å; K253-W257 PolarHBondContact O-N 3.26Å
254V87Confident81.5Confident91 Ų9197.7 Ų97.755%0.55249%0.494SS*.Hα-helixtrans-63.4-45.1177.3174.60000110.3S250 D251 N256 W257 L258S250-V254 WeakPolarHBondContact O-CG2 3.28Å; S250-V254 PolarHBondContact O-N 3.45Å; D251-V254 PolarHBondContact O-N 3.18Å; V254-N256 PolarHBondContact O-N 3.4Å; V254-W257 PolarHBondContact O-N 3.48Å; V254-L258 WeakPolarHBondContact O-CB 3.4Å; V254-L258 PolarHBondContact O-N 3.01Å
255S86.2Confident83.1Confident43 Ų43101.5 Ų101.530%0.30150%0.503SS..Hα-helixtrans-60.5-43.2176.4-173.40000112.4D251 L258 R259D251-S255 VanDerWaalsContact O-CB 3.28Å; D251-S255 WeakPolarHBondContact O-CB 3.38Å; D251-S255 PolarHBondContact O-N 3.39Å; S255-L258 PolarHBondContact O-N 2.92Å; S255-R259 PolarHBondContact O-N 3.44Å; S255-R259 VanDerWaalsContact OG-CZ 3.28Å; S255-R259 PolarHBondContact OG-NH1 3.09Å; S255-R259 VanDerWaalsContact OG-NH1 3.11Å; S255-R259 PolarHBondContact OG-NH2 2.92Å
256N89Confident84.7Confident80 Ų80105.2 Ų105.243%0.42851%0.509SS..Hα-helixtrans-66.1-41.4175.4-75-7.4000112.3Q252 K253 V254 R259 A260Q252-N256 PolarHBondContact NE2-OD1 2.99Å; Q252-N256 WeakPolarHBondContact O-CB 3.5Å; Q252-N256 PolarHBondContact O-N 3.43Å; K253-N256 PolarHBondContact O-N 3.2Å; V254-N256 PolarHBondContact O-N 3.4Å; N256-R259 PolarHBondContact O-N 2.97Å; N256-R259 PolarHBondContact OD1-NH2 3.11Å; N256-A260 WeakPolarHBondContact O-CB 3.41Å; N256-A260 PolarHBondContact O-N 2.97Å
257W90.9Very high86.1Confident158 Ų158102.3 Ų102.360%0.59850%0.501SS*.Hα-helixtrans-62.7-42.9176.4177.885.7000111.4K253 V254 A260 K261K253-W257 WeakPolarHBondContact O-CB 3.33Å; K253-W257 PolarHBondContact O-N 3.26Å; V254-W257 PolarHBondContact O-N 3.48Å; W257-A260 PolarHBondContact O-N 3.21Å; W257-K261 HydrophobicContact CD2-CG 4.12Å; W257-K261 HydrophobicContact CE3-CG 4.46Å; W257-K261 HydrophobicContact CH2-CG 4.3Å; W257-K261 HydrophobicContact CZ2-CD 4.33Å; W257-K261 HydrophobicContact CZ2-CG 3.92Å; W257-K261 WeakPolarHBondContact O-CG 3.43Å; W257-K261 PolarHBondContact O-N 3.35Å
258L91.9Very high87.3Confident101 Ų101101 Ų10153%0.52950%0.497SS..Hα-helixtrans-63.6-45.4177.1-169.667.4000111.4V254 S255 A260 K261 V262V254-L258 WeakPolarHBondContact O-CB 3.4Å; V254-L258 PolarHBondContact O-N 3.01Å; S255-L258 PolarHBondContact O-N 2.92Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.39Å; L258-K261 PolarHBondContact O-N 2.95Å; L258-V262 WeakPolarHBondContact O-CG2 3.18Å; L258-V262 PolarHBondContact O-N 3.5Å
259R91.8Very high88.2Confident123 Ų123101.9 Ų101.946%0.46450%0.498SS..Hα-helixtrans-56.7-46.1173.3-82.7-171.5-79.1-90.4-5.5112S255 N256 K261 V262 L263S255-R259 PolarHBondContact O-N 3.44Å; S255-R259 VanDerWaalsContact OG-CZ 3.28Å; S255-R259 PolarHBondContact OG-NH1 3.09Å; S255-R259 VanDerWaalsContact OG-NH1 3.11Å; S255-R259 PolarHBondContact OG-NH2 2.92Å; N256-R259 PolarHBondContact O-N 2.97Å; N256-R259 PolarHBondContact OD1-NH2 3.11Å; R259-K261 VanDerWaalsContact C-N 3.33Å; R259-K261 PolarHBondContact O-N 3.06Å; R259-V262 PolarHBondContact O-N 2.97Å; R259-L263 WeakPolarHBondContact O-CG 3.39Å; R259-L263 PolarHBondContact O-N 3.16Å
260A91.4Very high89.2Confident57 Ų5797.5 Ų97.547%0.47149%0.485SS..Hα-helixtrans-62.5-40.517800000111.9N256 W257 L258 L263 Q264N256-A260 WeakPolarHBondContact O-CB 3.41Å; N256-A260 PolarHBondContact O-N 2.97Å; W257-A260 PolarHBondContact O-N 3.21Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.39Å; A260-L263 PolarHBondContact O-N 3.05Å; A260-Q264 WeakPolarHBondContact O-CB 3.32Å; A260-Q264 PolarHBondContact O-N 3.5Å
261K93.3Very high90.1Very high89 Ų89101.1 Ų101.139%0.38750%0.497SS..Hα-helixtrans-67.1-39.1177.9-76.6-72.3168.6-163.10113.4W257 L258 R259 Q264 R265W257-K261 HydrophobicContact CD2-CG 4.12Å; W257-K261 HydrophobicContact CE3-CG 4.46Å; W257-K261 HydrophobicContact CH2-CG 4.3Å; W257-K261 HydrophobicContact CZ2-CD 4.33Å; W257-K261 HydrophobicContact CZ2-CG 3.92Å; W257-K261 WeakPolarHBondContact O-CG 3.43Å; W257-K261 PolarHBondContact O-N 3.35Å; L258-K261 PolarHBondContact O-N 2.95Å; R259-K261 VanDerWaalsContact C-N 3.33Å; R259-K261 PolarHBondContact O-N 3.06Å; K261-Q264 PolarHBondContact O-N 3.08Å; K261-R265 WeakPolarHBondContact O-CB 3.48Å; K261-R265 PolarHBondContact O-N 3.18Å
262V91.6Very high90.6Very high92 Ų92103 Ų10356%0.55850%0.501SS*.Hα-helixtrans-64.7-44.7174.8171.60000110.8L258 R259 R265 K266L258-V262 WeakPolarHBondContact O-CG2 3.18Å; L258-V262 PolarHBondContact O-N 3.5Å; R259-V262 PolarHBondContact O-N 2.97Å; V262-R265 PolarHBondContact O-N 3.44Å; V262-K266 WeakPolarHBondContact O-CB 3.34Å; V262-K266 PolarHBondContact O-N 2.97Å
263L91.3Very high91Very high121 Ų121104.1 Ų104.163%0.63450%0.5SS*.Hα-helixtrans-64.7-41.2176.7-71.8172.5000112.3R259 A260 K266 G267R259-L263 WeakPolarHBondContact O-CG 3.39Å; R259-L263 PolarHBondContact O-N 3.16Å; A260-L263 PolarHBondContact O-N 3.05Å; L263-K266 PolarHBondContact O-N 3.34Å; L263-G267 PolarHBondContact O-N 3.04Å
264Q92.7Very high91.3Very high91 Ų91104 Ų10443%0.42550%0.498SS..Hα-helixtrans-57.6-50.9174.6-179.1-177.75.300110.8A260 K261 K266 G267 E268A260-Q264 WeakPolarHBondContact O-CB 3.32Å; A260-Q264 PolarHBondContact O-N 3.5Å; K261-Q264 PolarHBondContact O-N 3.08Å; Q264-K266 VanDerWaalsContact C-N 3.33Å; Q264-K266 PolarHBondContact O-N 3.46Å; Q264-G267 PolarHBondContact O-N 2.88Å; Q264-E268 VanDerWaalsContact CG-OE1 3.32Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.37Å; Q264-E268 PolarHBondContact NE2-OE1 3.04Å; Q264-E268 WeakPolarHBondContact O-CG 3.33Å; Q264-E268 PolarHBondContact O-N 3.4Å
265R92.6Very high91.5Very high165 Ų165105.3 Ų105.362%0.62350%0.498SS*.Hα-helixtrans-59.6-43.7179-173.1-175.9-60.8-179.80.7111.7K261 V262 G267 E268 E269K261-R265 WeakPolarHBondContact O-CB 3.48Å; K261-R265 PolarHBondContact O-N 3.18Å; V262-R265 PolarHBondContact O-N 3.44Å; R265-G267 VanDerWaalsContact C-N 3.33Å; R265-G267 PolarHBondContact O-N 3.42Å; R265-E268 PolarHBondContact O-N 2.97Å; R265-E269 HydrophobicContact CG-CG 4.47Å; R265-E269 WeakPolarHBondContact CG-OE1 3.39Å; R265-E269 WeakPolarHBondContact O-CB 3.49Å; R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.45Å
266K92.6Very high91.8Very high136 Ų136107.9 Ų107.959%0.59151%0.508SS*.Hα-helixtrans-60.5-42.5177.3-173.2179.1178.4-177.10111.9V262 L263 Q264 E270V262-K266 WeakPolarHBondContact O-CB 3.34Å; V262-K266 PolarHBondContact O-N 2.97Å; L263-K266 PolarHBondContact O-N 3.34Å; Q264-K266 VanDerWaalsContact C-N 3.33Å; Q264-K266 PolarHBondContact O-N 3.46Å; K266-E270 WeakPolarHBondContact O-CB 3.45Å; K266-E270 PolarHBondContact O-N 2.96Å
267G90.3Very high91.8Very high34 Ų34107.9 Ų107.935%0.35151%0.505SS..Hα-helixtrans-64.3-42.4175.400000112.8L263 Q264 R265 E270 M271L263-G267 PolarHBondContact O-N 3.04Å; Q264-G267 PolarHBondContact O-N 2.88Å; R265-G267 VanDerWaalsContact C-N 3.33Å; R265-G267 PolarHBondContact O-N 3.42Å; G267-E270 PolarHBondContact O-N 3.38Å; G267-M271 WeakPolarHBondContact O-CG 3.47Å; G267-M271 PolarHBondContact O-N 3.35Å
268E91.8Very high91.8Very high99 Ų99106.9 Ų106.946%0.46351%0.507SS..Hα-helixtrans-64.7-40.8176.8-71.6171.6-168.600112.5Q264 R265 M271 K272Q264-E268 VanDerWaalsContact CG-OE1 3.32Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.37Å; Q264-E268 PolarHBondContact NE2-OE1 3.04Å; Q264-E268 WeakPolarHBondContact O-CG 3.33Å; Q264-E268 PolarHBondContact O-N 3.4Å; R265-E268 PolarHBondContact O-N 2.97Å; E268-M271 PolarHBondContact O-N 3.43Å; E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.25Å
269E92Very high91.6Very high119 Ų119106.3 Ų106.356%0.55650%0.502SS*.Hα-helixtrans-66.1-39.5175.7-74.3171.9-172.500112.1R265 K272 R273R265-E269 HydrophobicContact CG-CG 4.47Å; R265-E269 WeakPolarHBondContact CG-OE1 3.39Å; R265-E269 WeakPolarHBondContact O-CB 3.49Å; R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.45Å; E269-K272 PolarHBondContact O-N 2.95Å; E269-R273 PolarHBondContact O-N 3.26Å
270E92.8Very high91.3Very high71 Ų71106.2 Ų106.233%0.33251%0.507SS..Hα-helixtrans-65.3-43.1175.5173.9150.8-123.600112.3K266 G267 K272 R273 Y274K266-E270 WeakPolarHBondContact O-CB 3.45Å; K266-E270 PolarHBondContact O-N 2.96Å; G267-E270 PolarHBondContact O-N 3.38Å; E270-K272 PolarHBondContact O-N 2.98Å; E270-R273 WeakPolarHBondContact O-CB 3.43Å; E270-R273 PolarHBondContact O-N 3.37Å; E270-R273 IonicContact OE1-CZ 3.76Å; E270-R273 IonicContact OE1-NH1 3.9Å; E270-R273 IonicContact OE1-NH2 3.94Å; E270-R273 PolarHBondContact OE1-NH2 3.25Å; E270-Y274 HydrophobicContact CG-CD2 3.96Å; E270-Y274 HydrophobicContact CG-CE2 3.46Å; E270-Y274 VanDerWaalsContact CG-CE2 3.46Å; E270-Y274 WeakPolarHBondContact O-CD2 3.3Å; E270-Y274 PolarHBondContact O-N 2.91Å; E270-Y274 VanDerWaalsContact O-N 3.12Å
271M91.9Very high91Very high129 Ų129110.6 Ų110.664%0.63551%0.512SS*.Hα-helixtrans-61.3-43.1174.4-73-60.3-60.300112.1G267 E268 R273 Y274 E275G267-M271 WeakPolarHBondContact O-CG 3.47Å; G267-M271 PolarHBondContact O-N 3.35Å; E268-M271 PolarHBondContact O-N 3.43Å; M271-R273 VanDerWaalsContact C-N 3.27Å; M271-R273 PolarHBondContact O-N 3.35Å; M271-Y274 PolarHBondContact O-N 3.26Å; M271-E275 PolarHBondContact O-N 3.4Å
272K92.3Very high90.7Very high139 Ų139109.9 Ų109.960%0.60451%0.512SS*.Hα-helixtrans-61.8-35.3175.2-77.3177.9-179.9176.50112.7E268 E269 E270 N276E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.25Å; E269-K272 PolarHBondContact O-N 2.95Å; E270-K272 PolarHBondContact O-N 2.98Å; K272-N276 VanDerWaalsContact O-CB 3.3Å; K272-N276 WeakPolarHBondContact O-CB 3.43Å; K272-N276 PolarHBondContact O-N 3.44Å
273R92.4Very high90.4Very high124 Ų124110.2 Ų110.247%0.46851%0.511SS..Hα-helixtrans-63.9-47.8176.2-174.7-176.367.2-122.21.7110.8E269 E270 M271 N276 E277E269-R273 PolarHBondContact O-N 3.26Å; E270-R273 WeakPolarHBondContact O-CB 3.43Å; E270-R273 PolarHBondContact O-N 3.37Å; E270-R273 IonicContact OE1-CZ 3.76Å; E270-R273 IonicContact OE1-NH1 3.9Å; E270-R273 IonicContact OE1-NH2 3.94Å; E270-R273 PolarHBondContact OE1-NH2 3.25Å; M271-R273 VanDerWaalsContact C-N 3.27Å; M271-R273 PolarHBondContact O-N 3.35Å; R273-N276 PolarHBondContact O-N 3Å; R273-E277 WeakPolarHBondContact O-CB 3.16Å; R273-E277 PolarHBondContact O-N 2.97Å
274Y90.9Very high90.2Very high123 Ų123109.1 Ų109.148%0.48251%0.509SS..Hα-helixtrans-63.1-43.5177.4-71.6-58.7000112.3E270 M271 N276 E277 E278E270-Y274 HydrophobicContact CG-CD2 3.96Å; E270-Y274 HydrophobicContact CG-CE2 3.46Å; E270-Y274 VanDerWaalsContact CG-CE2 3.46Å; E270-Y274 WeakPolarHBondContact O-CD2 3.3Å; E270-Y274 PolarHBondContact O-N 2.91Å; E270-Y274 VanDerWaalsContact O-N 3.12Å; M271-Y274 PolarHBondContact O-N 3.26Å; Y274-N276 VanDerWaalsContact C-N 3.34Å; Y274-N276 PolarHBondContact O-N 2.98Å; Y274-E277 PolarHBondContact O-N 3.15Å; Y274-E278 WeakPolarHBondContact O-CB 3.44Å; Y274-E278 PolarHBondContact O-N 3.47Å
275E91.4Very high89.7Confident118 Ų118108.2 Ų108.255%0.55151%0.51SS*.Hα-helixtrans-61.3-43176.9-174.7177.9-16600111.5M271 E278 Q279M271-E275 PolarHBondContact O-N 3.4Å; E275-E278 PolarHBondContact O-N 2.91Å; E275-Q279 WeakPolarHBondContact O-CB 3.39Å; E275-Q279 VanDerWaalsContact O-CG 3.25Å; E275-Q279 WeakPolarHBondContact O-CG 3.44Å; E275-Q279 PolarHBondContact O-N 2.99Å
276N93Very high89.4Confident97 Ų97105 Ų10552%0.51950%0.501SS..Hα-helixtrans-66.1-38.5176.8-178.759.6000112.4K272 R273 Y274 Q279 Q280K272-N276 VanDerWaalsContact O-CB 3.3Å; K272-N276 WeakPolarHBondContact O-CB 3.43Å; K272-N276 PolarHBondContact O-N 3.44Å; R273-N276 PolarHBondContact O-N 3Å; Y274-N276 VanDerWaalsContact C-N 3.34Å; Y274-N276 PolarHBondContact O-N 2.98Å; N276-Q279 PolarHBondContact O-N 3.02Å; N276-Q280 WeakPolarHBondContact O-CG 3.27Å; N276-Q280 PolarHBondContact O-N 3.1Å
277E90Very high89Confident79 Ų79101.9 Ų101.937%0.36950%0.497SS..Hα-helixtrans-65.3-44.1175.4-179.8172-165.900111.6R273 Y274 Q279 Q280 Y281R273-E277 WeakPolarHBondContact O-CB 3.16Å; R273-E277 PolarHBondContact O-N 2.97Å; Y274-E277 PolarHBondContact O-N 3.15Å; E277-Q279 PolarHBondContact O-N 3.45Å; E277-Q280 WeakPolarHBondContact O-CB 3.4Å; E277-Q280 PolarHBondContact O-N 2.97Å; E277-Q280 VanDerWaalsContact O-N 3.15Å; E277-Y281 HydrophobicContact CG-CD2 3.85Å; E277-Y281 HydrophobicContact CG-CE2 3.4Å; E277-Y281 VanDerWaalsContact CG-CE2 3.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.49Å; E277-Y281 PolarHBondContact O-N 3.03Å; E277-Y281 WeakPolarHBondContact OE1-CE2 3.48Å; E277-Y281 PolarHBondContact OE1-OH 3.48Å
278E89.2Confident88.8Confident137 Ų137108.3 Ų108.364%0.6451%0.51SS*.Hα-helixtrans-59.4-44.7174.4-174.9177.3-163.400111.8Y274 E275 Q280 Y281 L282Y274-E278 WeakPolarHBondContact O-CB 3.44Å; Y274-E278 PolarHBondContact O-N 3.47Å; E275-E278 PolarHBondContact O-N 2.91Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 2.96Å; E278-Y281 PolarHBondContact O-N 3.29Å; E278-L282 WeakPolarHBondContact O-CB 3.25Å; E278-L282 PolarHBondContact O-N 2.9Å
279Q87.8Confident88.4Confident90 Ų90108.2 Ų108.242%0.42151%0.51SS..Hα-helixtrans-62-37.4175.2-71.6-66.1-17.600112.3E275 N276 E277 L282 N283E275-Q279 WeakPolarHBondContact O-CB 3.39Å; E275-Q279 VanDerWaalsContact O-CG 3.25Å; E275-Q279 WeakPolarHBondContact O-CG 3.44Å; E275-Q279 PolarHBondContact O-N 2.99Å; N276-Q279 PolarHBondContact O-N 3.02Å; E277-Q279 PolarHBondContact O-N 3.45Å; Q279-L282 PolarHBondContact O-N 3.45Å; Q279-N283 WeakPolarHBondContact O-CB 3.4Å; Q279-N283 PolarHBondContact O-N 3.21Å; Q279-N283 PolarHBondContact O-ND2 3.44Å; Q279-N283 VanDerWaalsContact O-ND2 3.1Å
280Q86.8Confident87.9Confident120 Ų120105.3 Ų105.356%0.56151%0.506SS*.Hα-helixtrans-65-45.8174.4-75-169.615.200111.9N276 E277 E278 L282 N283 V284N276-Q280 WeakPolarHBondContact O-CG 3.27Å; N276-Q280 PolarHBondContact O-N 3.1Å; E277-Q280 WeakPolarHBondContact O-CB 3.4Å; E277-Q280 PolarHBondContact O-N 2.97Å; E277-Q280 VanDerWaalsContact O-N 3.15Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 2.96Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.1Å; Q280-N283 PolarHBondContact O-N 2.95Å; Q280-V284 WeakPolarHBondContact O-CG2 3.46Å; Q280-V284 PolarHBondContact O-N 2.9Å
281Y85.2Confident87.5Confident149 Ų149105 Ų10558%0.58451%0.511SS*.Hα-helixtrans-59.2-44.5175.5-76.7-64.3000111.6E277 E278 N283 V284 V285E277-Y281 HydrophobicContact CG-CD2 3.85Å; E277-Y281 HydrophobicContact CG-CE2 3.4Å; E277-Y281 VanDerWaalsContact CG-CE2 3.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.49Å; E277-Y281 PolarHBondContact O-N 3.03Å; E277-Y281 WeakPolarHBondContact OE1-CE2 3.48Å; E277-Y281 PolarHBondContact OE1-OH 3.48Å; E278-Y281 PolarHBondContact O-N 3.29Å; Y281-N283 VanDerWaalsContact C-N 3.34Å; Y281-N283 PolarHBondContact O-N 3.43Å; Y281-V284 PolarHBondContact O-N 3.49Å; Y281-V285 WeakPolarHBondContact O-CG2 3.49Å; Y281-V285 PolarHBondContact O-N 2.94Å
282L86.4Confident87.3Confident75 Ų75102.9 Ų102.939%0.39350%0.5SS..Hα-helixtrans-62.6-41.5179-171.663.1000111.9E278 Q279 Q280 V284 V285 H286E278-L282 WeakPolarHBondContact O-CB 3.25Å; E278-L282 PolarHBondContact O-N 2.9Å; Q279-L282 PolarHBondContact O-N 3.45Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.1Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-V284 PolarHBondContact O-N 3.35Å; L282-V285 PolarHBondContact O-N 2.95Å; L282-H286 VanDerWaalsContact CG-CE1 3.47Å; L282-H286 WeakPolarHBondContact CG-CE1 3.47Å; L282-H286 PolarHBondContact O-N 3.46Å; L282-H286 PolarHBondContact O-ND1 3.11Å
283N86Confident86.9Confident98 Ų98102.4 Ų102.452%0.52450%0.5SS..Hα-helixtrans-62.7-38.9175.3-74.1-29.5000112.7Q279 Q280 Y281 S287Q279-N283 WeakPolarHBondContact O-CB 3.4Å; Q279-N283 PolarHBondContact O-N 3.21Å; Q279-N283 PolarHBondContact O-ND2 3.44Å; Q279-N283 VanDerWaalsContact O-ND2 3.1Å; Q280-N283 PolarHBondContact O-N 2.95Å; Y281-N283 VanDerWaalsContact C-N 3.34Å; Y281-N283 PolarHBondContact O-N 3.43Å; N283-S287 WeakPolarHBondContact O-CB 3.39Å; N283-S287 PolarHBondContact O-N 3.42Å
284V86.6Confident86.5Confident99 Ų9999.6 Ų99.660%0.650%0.503SS*.Hα-helixtrans-65.3-42.9175.5172.60000111Q280 Y281 L282 S287 R288Q280-V284 WeakPolarHBondContact O-CG2 3.46Å; Q280-V284 PolarHBondContact O-N 2.9Å; Y281-V284 PolarHBondContact O-N 3.49Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-V284 PolarHBondContact O-N 3.35Å; V284-S287 PolarHBondContact O-N 2.92Å; V284-R288 WeakPolarHBondContact O-CB 3.35Å; V284-R288 PolarHBondContact O-N 3.37Å
285V82.6Confident86Confident72 Ų72102.4 Ų102.444%0.43652%0.518SS..Hα-helixtrans-62-50.3176.91730000110.8Y281 L282 S287 R288 E289Y281-V285 WeakPolarHBondContact O-CG2 3.49Å; Y281-V285 PolarHBondContact O-N 2.94Å; L282-V285 PolarHBondContact O-N 2.95Å; V285-S287 VanDerWaalsContact C-N 3.3Å; V285-S287 PolarHBondContact O-N 2.93Å; V285-R288 WeakPolarHBondContact O-CB 3.17Å; V285-R288 PolarHBondContact O-N 3.29Å; V285-R288 VanDerWaalsContact O-N 3.11Å; V285-E289 WeakPolarHBondContact O-CG 3.45Å; V285-E289 PolarHBondContact O-N 3.46Å
286H86Confident85.6Confident96 Ų96105.1 Ų105.144%0.44453%0.528SS..Hα-helixtrans-60.3-39.4177.5-68.1154.6000112.4L282 E289 A290L282-H286 VanDerWaalsContact CG-CE1 3.47Å; L282-H286 WeakPolarHBondContact CG-CE1 3.47Å; L282-H286 PolarHBondContact O-N 3.46Å; L282-H286 PolarHBondContact O-ND1 3.11Å; H286-E289 PolarHBondContact O-N 3.3Å; H286-A290 WeakPolarHBondContact O-CB 3.39Å; H286-A290 PolarHBondContact O-N 3.46Å
287S83.9Confident84.5Confident71 Ų71111 Ų11150%0.49755%0.552SS.*Hα-helixtrans-64.7-40.1175.5-173.60000111.8N283 V284 V285 A290 C291N283-S287 WeakPolarHBondContact O-CB 3.39Å; N283-S287 PolarHBondContact O-N 3.42Å; V284-S287 PolarHBondContact O-N 2.92Å; V285-S287 VanDerWaalsContact C-N 3.3Å; V285-S287 PolarHBondContact O-N 2.93Å; S287-A290 PolarHBondContact O-N 3.19Å; S287-C291 PolarHBondContact O-N 2.93Å; S287-C291 PolarHBondContact O-SG 3.01Å
288R85.8Confident84.2Confident169 Ų169112.6 Ų112.664%0.63856%0.562SS**Hα-helixtrans-64.4-46.4176.3178.6179.7172.4174.21.4111.3V284 V285 A290 C291 E292V284-R288 WeakPolarHBondContact O-CB 3.35Å; V284-R288 PolarHBondContact O-N 3.37Å; V285-R288 WeakPolarHBondContact O-CB 3.17Å; V285-R288 PolarHBondContact O-N 3.29Å; V285-R288 VanDerWaalsContact O-N 3.11Å; R288-A290 VanDerWaalsContact C-N 3.32Å; R288-A290 PolarHBondContact O-N 3.16Å; R288-C291 PolarHBondContact O-N 2.88Å; R288-E292 IonicContact CZ-OE1 3.65Å; R288-E292 IonicContact NE-OE1 2.94Å; R288-E292 PolarHBondContact NE-OE1 3.44Å; R288-E292 IonicContact NH2-OE1 3.49Å; R288-E292 PolarHBondContact NH2-OE1 3.29Å; R288-E292 WeakPolarHBondContact O-CG 3.5Å; R288-E292 PolarHBondContact O-N 3.23Å
289E82.6Confident84Confident97 Ų97111.3 Ų111.345%0.45356%0.557SS.*Hα-helixtrans-60.2-42.6176.5-72.9-179.2175.200111.6V285 H286 C291 E292 Q293V285-E289 WeakPolarHBondContact O-CG 3.45Å; V285-E289 PolarHBondContact O-N 3.46Å; H286-E289 PolarHBondContact O-N 3.3Å; E289-C291 PolarHBondContact O-N 3Å; E289-E292 PolarHBondContact O-N 3.37Å; E289-Q293 WeakPolarHBondContact O-CG 3.46Å; E289-Q293 PolarHBondContact O-N 3.48Å
290A82.8Confident83.7Confident58 Ų58112.5 Ų112.548%0.47957%0.565SS.*Hα-helixtrans-61.8-42.1175.700000112.1H286 S287 R288 Q293 A294H286-A290 WeakPolarHBondContact O-CB 3.39Å; H286-A290 PolarHBondContact O-N 3.46Å; S287-A290 PolarHBondContact O-N 3.19Å; R288-A290 VanDerWaalsContact C-N 3.32Å; R288-A290 PolarHBondContact O-N 3.16Å; A290-Q293 PolarHBondContact O-N 3.01Å; A290-A294 WeakPolarHBondContact O-CB 3.37Å; A290-A294 PolarHBondContact O-N 2.91Å
291C84.9Confident83.6Confident65 Ų65112.1 Ų112.144%0.43957%0.565SS.*Hα-helixtrans-63.5-46173.8-710000111.8S287 R288 E289 Q293 A294 F295S287-C291 PolarHBondContact O-N 2.93Å; S287-C291 PolarHBondContact O-SG 3.01Å; R288-C291 PolarHBondContact O-N 2.88Å; E289-C291 PolarHBondContact O-N 3Å; C291-Q293 VanDerWaalsContact C-N 3.28Å; C291-Q293 PolarHBondContact O-N 2.93Å; C291-A294 PolarHBondContact O-N 3.25Å; C291-A294 VanDerWaalsContact O-N 3.16Å; C291-F295 WeakPolarHBondContact O-CD2 3.35Å; C291-F295 PolarHBondContact O-N 3.45Å
292E85.9Confident83.5Confident84 Ų84109.8 Ų109.839%0.39356%0.564SS.*Hα-helixtrans-61.7-35.4178.1-74.7-178.3-164.800112.2R288 E289 K296R288-E292 IonicContact CZ-OE1 3.65Å; R288-E292 IonicContact NE-OE1 2.94Å; R288-E292 PolarHBondContact NE-OE1 3.44Å; R288-E292 IonicContact NH2-OE1 3.49Å; R288-E292 PolarHBondContact NH2-OE1 3.29Å; R288-E292 WeakPolarHBondContact O-CG 3.5Å; R288-E292 PolarHBondContact O-N 3.23Å; E289-E292 PolarHBondContact O-N 3.37Å; E292-K296 WeakPolarHBondContact O-CG 3.22Å; E292-K296 PolarHBondContact O-N 3.43Å
293Q85.7Confident83.3Confident130 Ų130112.1 Ų112.161%0.60758%0.575SS**Hα-helixtrans-68.7-40.8173-72.5-176.516.600112.4E289 A290 C291 F295 K296E289-Q293 WeakPolarHBondContact O-CG 3.46Å; E289-Q293 PolarHBondContact O-N 3.48Å; A290-Q293 PolarHBondContact O-N 3.01Å; C291-Q293 VanDerWaalsContact C-N 3.28Å; C291-Q293 PolarHBondContact O-N 2.93Å; Q293-F295 VanDerWaalsContact C-N 3.34Å; Q293-F295 PolarHBondContact O-N 2.99Å; Q293-K296 PolarHBondContact O-N 3.48Å
294A83.2Confident83.1Confident64 Ų64113.1 Ų113.153%0.52958%0.579SS.*Hα-helixtrans-65-35.4177.300000112.6A290 C291 K296A290-A294 WeakPolarHBondContact O-CB 3.37Å; A290-A294 PolarHBondContact O-N 2.91Å; C291-A294 PolarHBondContact O-N 3.25Å; C291-A294 VanDerWaalsContact O-N 3.16Å; A294-K296 VanDerWaalsContact C-N 3.29Å; A294-K296 PolarHBondContact O-N 3.16Å
295F79.9Confident82.8Confident183 Ų183114.2 Ų114.280%0.80358%0.578SS**Hα-helixtrans-71.8-19.2175.8-85-69.4000114.3C291 Q293C291-F295 WeakPolarHBondContact O-CD2 3.35Å; C291-F295 PolarHBondContact O-N 3.45Å; Q293-F295 VanDerWaalsContact C-N 3.34Å; Q293-F295 PolarHBondContact O-N 2.99Å
296K83.9Confident82.8Confident174 Ų174117.7 Ų117.776%0.75759%0.589SS**THydrogen-bonded Turntrans-86.6-8.5178.9-74.9175.4-177.9173.30113.5E292 Q293 A294E292-K296 WeakPolarHBondContact O-CG 3.22Å; E292-K296 PolarHBondContact O-N 3.43Å; Q293-K296 PolarHBondContact O-N 3.48Å; A294-K296 VanDerWaalsContact C-N 3.29Å; A294-K296 PolarHBondContact O-N 3.16Å
297Q69.2Low82.5Confident221 Ų221119.6 Ų119.6100%1.03360%0.602SS**  trans-92.50174.7-65.1-176.213.200110.5

Retrieved 297 of 297 residues in 97.8 ms (Link to these results)