A0A090N7V0_HUMAN Loading...

ITPR-interacting domain-containing protein

AlphaFold DB , UniProt , Accession A0A090N7V0, Species HUMAN (Homo sapiens, Human), Gene LOC223075, Length 896 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
1M33.9Very low38.1Very low249 Ų249147.3 Ų147.3100%1.22782%0.82SS**  0123.10-169.9165.4174.200106.5
2M29.4Very low38.9Very low187 Ų187148 Ų14892%0.92182%0.819SS**PPolyproline II helixtrans-90.1138-173.4-67.4-94.2-82.600109.9
3A36.6Very low39.4Very low104 Ų104147.2 Ų147.286%0.8681%0.806SS**PPolyproline II helixtrans-84.5123.4172.500000110.1
4Q38.5Very low40.1Very low198 Ų198142.7 Ų142.793%0.92578%0.776SS**PPolyproline II helixtrans-83.5137.8165.2-81.9-178.7-41.200109.7
5K37Very low40.9Very low204 Ų204135.8 Ų135.889%0.88775%0.751SS**PPolyproline II helixtrans-101.3128.1177.1-155.6177.1-174.1-176.40107.9Q7K5-Q7 PolarHBondContact O-N 3.13Å
6S36Very low41.6Very low121 Ų121134.9 Ų134.985%0.84674%0.74SS**PPolyproline II helixtrans-73.1125.9-175.536.10000112
7Q43.3Very low42.4Very low175 Ų175132.2 Ų132.282%0.81872%0.721SS**  trans-90.9115168.4-69.5178.9-96.400109.1K5K5-Q7 PolarHBondContact O-N 3.13Å
8G36Very low43.1Very low67 Ų67130.1 Ų130.169%0.69170%0.704SS**  trans-140.6-19178.700000115.3
9S42.3Very low43.9Very low95 Ų95126.7 Ų126.766%0.66469%0.691SS**SBendtrans-85.2-24.6-171.2-160.70000114.7N11S9-N11 PolarHBondContact O-N 3.45Å
10D42Very low44.8Very low99 Ų99126.1 Ų126.153%0.52968%0.681SS.*Hα-helixtrans-74.4-31.5-161.3-50.8-42000113.5L12 E14D10-L12 PolarHBondContact O-N 3.23Å; D10-E14 PolarHBondContact O-N 3.3Å
11N44.3Very low45.7Very low121 Ų121125.4 Ų125.465%0.64767%0.669SS**Hα-helixtrans-69.1-35.4-171.6-77.7-81.6000114S9 G15S9-N11 PolarHBondContact O-N 3.45Å; N11-G15 PolarHBondContact O-N 2.84Å; N11-G15 VanDerWaalsContact O-N 3.11Å
12L47.6Very low46.8Very low156 Ų156117.9 Ų117.982%0.81763%0.631SS**Hα-helixtrans-69.4-41.6-175.4-150.580.9000111.2D10 G15 Q16D10-L12 PolarHBondContact O-N 3.23Å; L12-G15 PolarHBondContact O-N 3.16Å; L12-Q16 PolarHBondContact O-N 3.43Å
13Q46Very low48.3Very low137 Ų137113.8 Ų113.864%0.6461%0.611SS**Hα-helixtrans-71.5-37.7178.6-170.8162.4-17.400111.6G15 Q16 E17Q13-G15 VanDerWaalsContact C-N 3.32Å; Q13-G15 PolarHBondContact O-N 3.36Å; Q13-Q16 PolarHBondContact O-N 2.95Å; Q13-E17 PolarHBondContact O-N 3.29Å
14E48.6Very low48.9Very low85 Ų85114.5 Ų114.540%0.39760%0.6SS.*Hα-helixtrans-62.6-38174.3-154.8-152.5174.800112D10 E17 K18D10-E14 PolarHBondContact O-N 3.3Å; E14-E17 PolarHBondContact O-N 3.35Å; E14-K18 HydrophobicContact CG-CD 4.45Å; E14-K18 WeakPolarHBondContact O-CB 3.37Å; E14-K18 WeakPolarHBondContact O-CD 3.37Å; E14-K18 VanDerWaalsContact O-CG 3.24Å; E14-K18 WeakPolarHBondContact O-CG 3.35Å; E14-K18 PolarHBondContact O-N 3.46Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.68Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; E14-K18 IonicContact OE2-NZ 3.59Å; E14-K18 PolarHBondContact OE2-NZ 3.35Å
15G52.3Low49.3Very low39 Ų39110.6 Ų110.640%0.40258%0.58SS.*Hα-helixtrans-62.3-44.5173.300000113N11 L12 Q13 K18 S19N11-G15 PolarHBondContact O-N 2.84Å; N11-G15 VanDerWaalsContact O-N 3.11Å; L12-G15 PolarHBondContact O-N 3.16Å; Q13-G15 VanDerWaalsContact C-N 3.32Å; Q13-G15 PolarHBondContact O-N 3.36Å; G15-K18 PolarHBondContact O-N 2.73Å; G15-S19 PolarHBondContact O-N 3.33Å
16Q51.2Low49.6Very low122 Ų122104.9 Ų104.957%0.5757%0.565SS**Hα-helixtrans-68.8-36.2178.6-142.1-162.657.200112.3L12 Q13 K20L12-Q16 PolarHBondContact O-N 3.43Å; Q13-Q16 PolarHBondContact O-N 2.95Å; Q16-K20 WeakPolarHBondContact O-CD 3.22Å; Q16-K20 WeakPolarHBondContact O-CG 3.48Å; Q16-K20 PolarHBondContact O-N 2.87Å; Q16-K20 VanDerWaalsContact O-N 3.13Å
17E55.7Low50.2Low88 Ų88102.6 Ų102.641%0.41155%0.546SS..Hα-helixtrans-68.5-37171.4-72.1-152.5139.300113.1Q13 E14 K20 R21Q13-E17 PolarHBondContact O-N 3.29Å; E14-E17 PolarHBondContact O-N 3.35Å; E17-K20 PolarHBondContact O-N 3.3Å; E17-R21 VanDerWaalsContact CB-NH2 3.29Å; E17-R21 WeakPolarHBondContact O-CB 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.33Å; E17-R21 PolarHBondContact O-N 3.03Å; E17-R21 IonicContact OE1-NH1 3.86Å; E17-R21 IonicContact OE2-CZ 3.22Å; E17-R21 IonicContact OE2-NH1 3.82Å; E17-R21 PolarHBondContact OE2-NH1 3Å; E17-R21 IonicContact OE2-NH2 2.73Å; E17-R21 PolarHBondContact OE2-NH2 3.18Å
18K55.9Low50.3Low95 Ų95101.3 Ų101.341%0.41354%0.538SS..Hα-helixtrans-59.9-47.2174.3-79.4164.5178.9166.30110.6E14 G15 K20 R21 E22E14-K18 HydrophobicContact CG-CD 4.45Å; E14-K18 WeakPolarHBondContact O-CB 3.37Å; E14-K18 WeakPolarHBondContact O-CD 3.37Å; E14-K18 VanDerWaalsContact O-CG 3.24Å; E14-K18 WeakPolarHBondContact O-CG 3.35Å; E14-K18 PolarHBondContact O-N 3.46Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.68Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; E14-K18 IonicContact OE2-NZ 3.59Å; E14-K18 PolarHBondContact OE2-NZ 3.35Å; G15-K18 PolarHBondContact O-N 2.73Å; K18-K20 PolarHBondContact O-N 2.92Å; K18-R21 PolarHBondContact O-N 3.49Å; K18-E22 PolarHBondContact O-N 2.89Å
19S57.8Low50.6Low66 Ų66102 Ų10246%0.46253%0.532SS..Hα-helixtrans-55.3-51.4173.3177.50000112.1G15 R21 E22 I23G15-S19 PolarHBondContact O-N 3.33Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.09Å; S19-E22 PolarHBondContact O-N 3Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.22Å
20K62Low50.7Low114 Ų114101.1 Ų101.150%0.49653%0.531SS..Hα-helixtrans-58.2-39.5176.4-71.3163.9176.9168.60112.5Q16 E17 K18 L24Q16-K20 WeakPolarHBondContact O-CD 3.22Å; Q16-K20 WeakPolarHBondContact O-CG 3.48Å; Q16-K20 PolarHBondContact O-N 2.87Å; Q16-K20 VanDerWaalsContact O-N 3.13Å; E17-K20 PolarHBondContact O-N 3.3Å; K18-K20 PolarHBondContact O-N 2.92Å; K20-L24 VanDerWaalsContact O-CG 3.28Å; K20-L24 WeakPolarHBondContact O-CG 2.93Å; K20-L24 PolarHBondContact O-N 3.47Å; K20-L24 VanDerWaalsContact O-N 3.13Å
21R63.9Low50.5Low112 Ų112106.1 Ų106.142%0.42354%0.542SS..Hα-helixtrans-70.8-36.5177.7-77.4-171.3-82.9-98.54.8113.3E17 K18 S19 K25E17-R21 VanDerWaalsContact CB-NH2 3.29Å; E17-R21 WeakPolarHBondContact O-CB 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.33Å; E17-R21 PolarHBondContact O-N 3.03Å; E17-R21 IonicContact OE1-NH1 3.86Å; E17-R21 IonicContact OE2-CZ 3.22Å; E17-R21 IonicContact OE2-NH1 3.82Å; E17-R21 PolarHBondContact OE2-NH1 3Å; E17-R21 IonicContact OE2-NH2 2.73Å; E17-R21 PolarHBondContact OE2-NH2 3.18Å; K18-R21 PolarHBondContact O-N 3.49Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.09Å; R21-K25 WeakPolarHBondContact O-CG 3.42Å; R21-K25 PolarHBondContact O-N 2.78Å; R21-K25 VanDerWaalsContact O-N 3.08Å
22E55.5Low50Low91 Ų91105.6 Ų105.643%0.42554%0.539SS..Hα-helixtrans-70.8-39.8173.6-61.2-40.4122.600112.1K18 S19 L24 K25 C26K18-E22 PolarHBondContact O-N 2.89Å; S19-E22 PolarHBondContact O-N 3Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 2.93Å; E22-K25 WeakPolarHBondContact O-CB 3.36Å; E22-K25 PolarHBondContact O-N 2.92Å; E22-K25 VanDerWaalsContact O-N 3.13Å; E22-K25 IonicContact OE1-NZ 3.53Å; E22-K25 PolarHBondContact OE1-NZ 3.15Å; E22-K25 WeakPolarHBondContact OE2-CD 3.2Å; E22-K25 IonicContact OE2-NZ 3.67Å; E22-K25 PolarHBondContact OE2-NZ 2.91Å; E22-C26 PolarHBondContact O-N 3.18Å; E22-C26 PolarHBondContact O-SG 3.23Å; E22-C26 VanDerWaalsContact O-SG 3.41Å
23I60.8Low49.5Very low101 Ų101103.4 Ų103.452%0.51854%0.535SS..Hα-helixtrans-57.4-46.2173.7-67.5164.4000110.5S19 K25 C26 T27S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.22Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 2.99Å; I23-C26 PolarHBondContact O-N 3.45Å; I23-T27 PolarHBondContact O-N 2.89Å; I23-T27 PolarHBondContact O-OG1 3.29Å; I23-T27 VanDerWaalsContact O-OG1 3.1Å
24L50.8Low49Very low118 Ų118105.6 Ų105.662%0.61855%0.549SS*.Hα-helixtrans-64.4-34.2177.3-72168.8000113.2K20 E22 T27 K28K20-L24 VanDerWaalsContact O-CG 3.28Å; K20-L24 WeakPolarHBondContact O-CG 2.93Å; K20-L24 PolarHBondContact O-N 3.47Å; K20-L24 VanDerWaalsContact O-N 3.13Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 2.93Å; L24-T27 WeakPolarHBondContact CA-OG1 3.49Å; L24-T27 PolarHBondContact O-OG1 3.39Å; L24-K28 WeakPolarHBondContact O-CB 3.34Å; L24-K28 PolarHBondContact O-N 2.71Å
25K45.6Very low48.4Very low116 Ų116108.3 Ų108.350%0.50457%0.567SS.*Hα-helixtrans-68-47.4172.4-75.4161.5167.1-179.70111.9R21 E22 I23 T27 K28 S29R21-K25 WeakPolarHBondContact O-CG 3.42Å; R21-K25 PolarHBondContact O-N 2.78Å; R21-K25 VanDerWaalsContact O-N 3.08Å; E22-K25 WeakPolarHBondContact O-CB 3.36Å; E22-K25 PolarHBondContact O-N 2.92Å; E22-K25 VanDerWaalsContact O-N 3.13Å; E22-K25 IonicContact OE1-NZ 3.53Å; E22-K25 PolarHBondContact OE1-NZ 3.15Å; E22-K25 WeakPolarHBondContact OE2-CD 3.2Å; E22-K25 IonicContact OE2-NZ 3.67Å; E22-K25 PolarHBondContact OE2-NZ 2.91Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 2.99Å; K25-T27 VanDerWaalsContact C-N 3.31Å; K25-T27 PolarHBondContact O-N 2.93Å; K25-K28 WeakPolarHBondContact O-CA 3.4Å; K25-K28 WeakPolarHBondContact O-CB 3.2Å; K25-K28 PolarHBondContact O-N 2.94Å; K25-S29 PolarHBondContact O-N 3.45Å; K25-S29 PolarHBondContact O-OG 2.88Å
26C43.6Very low47.9Very low85 Ų85115 Ų11557%0.57459%0.587SS**Hα-helixtrans-60.1-41.1179-71.30000111.7E22 I23 S29 A30E22-C26 PolarHBondContact O-N 3.18Å; E22-C26 PolarHBondContact O-SG 3.23Å; E22-C26 VanDerWaalsContact O-SG 3.41Å; I23-C26 PolarHBondContact O-N 3.45Å; C26-S29 WeakPolarHBondContact CA-OG 3.41Å; C26-S29 PolarHBondContact O-OG 3.42Å; C26-A30 PolarHBondContact O-N 2.96Å
27T48.3Very low46.9Very low73 Ų73120.5 Ų120.545%0.44860%0.603SS.*Hα-helixtrans-65.3-37.1171.1470000112.4I23 L24 K25 A30I23-T27 PolarHBondContact O-N 2.89Å; I23-T27 PolarHBondContact O-OG1 3.29Å; I23-T27 VanDerWaalsContact O-OG1 3.1Å; L24-T27 WeakPolarHBondContact CA-OG1 3.49Å; L24-T27 PolarHBondContact O-OG1 3.39Å; K25-T27 VanDerWaalsContact C-N 3.31Å; K25-T27 PolarHBondContact O-N 2.93Å; T27-A30 WeakPolarHBondContact O-CB 3.42Å; T27-A30 PolarHBondContact O-N 3.16Å
28K46.6Very low46Very low148 Ų148124.7 Ų124.764%0.64363%0.627SS**Hα-helixtrans-62.7-45.8177-175-176.3173.2-172.20111.8L24 K25 A30 W31L24-K28 WeakPolarHBondContact O-CB 3.34Å; L24-K28 PolarHBondContact O-N 2.71Å; K25-K28 WeakPolarHBondContact O-CA 3.4Å; K25-K28 WeakPolarHBondContact O-CB 3.2Å; K25-K28 PolarHBondContact O-N 2.94Å; K28-A30 PolarHBondContact O-N 3.02Å; K28-A30 VanDerWaalsContact O-N 3.15Å; K28-W31 PolarHBondContact O-N 2.86Å
29S42.1Very low44.9Very low81 Ų81124.9 Ų124.957%0.56664%0.638SS**Hα-helixtrans-65.2-13.1177.846.30000114.3K25 C26 W31K25-S29 PolarHBondContact O-N 3.45Å; K25-S29 PolarHBondContact O-OG 2.88Å; C26-S29 WeakPolarHBondContact CA-OG 3.41Å; C26-S29 PolarHBondContact O-OG 3.42Å; S29-W31 VanDerWaalsContact C-N 3.32Å
30A43.7Very low43.7Very low77 Ų77127.9 Ų127.964%0.63666%0.657SS**THydrogen-bonded Turntrans-84.4-2.617300000113.7C26 T27 K28C26-A30 PolarHBondContact O-N 2.96Å; T27-A30 WeakPolarHBondContact O-CB 3.42Å; T27-A30 PolarHBondContact O-N 3.16Å; K28-A30 PolarHBondContact O-N 3.02Å; K28-A30 VanDerWaalsContact O-N 3.15Å
31W37.2Very low42Very low203 Ų203129.7 Ų129.777%0.76967%0.671SS**SBendtrans-122.13.5-178.8-66.2109.4000114.5K28 S29K28-W31 PolarHBondContact O-N 2.86Å; S29-W31 VanDerWaalsContact C-N 3.32Å
32D35.6Very low41.5Very low110 Ų110129.1 Ų129.159%0.58868%0.683SS**SBendtrans-71.2130.1170.7-75.6-44.6000109.6L34D32-L34 PolarHBondContact O-N 3.45Å
33P36.4Very low40.2Very low111 Ų111134 Ų13472%0.72171%0.705SS**  trans-69121.9-174.3-2133.2000113.1D35P33-D35 PolarHBondContact O-N 2.84Å; P33-D35 VanDerWaalsContact O-N 3.12Å
34L34.6Very low38.9Very low182 Ų182138.1 Ų138.195%0.95372%0.722SS**  trans-85.863.9170.2-146.883.6000110.8D32D32-L34 PolarHBondContact O-N 3.45Å
35D36.1Very low37.8Very low143 Ų143140.5 Ų140.577%0.76573%0.73SS**  trans-77.3154.9166.5-103.7-43.5000110.6P33P33-D35 PolarHBondContact O-N 2.84Å; P33-D35 VanDerWaalsContact O-N 3.12Å
36E42.8Very low37Very low178 Ų178139.8 Ų139.883%0.83274%0.74SS**  trans56.590.7-175.2-61.1-164.9125.500116.2
37W29.5Very low36.3Very low239 Ų239144.1 Ų144.191%0.90575%0.752SS**  -167.5118.6108.3-111.757.9000110.9
38L36.4Very low35.2Very low175 Ų175145.3 Ų145.392%0.91676%0.763SS**  trans-111112.6172.9-84.4169.6000110.4
39P33.4Very low34.3Very low99 Ų99146.9 Ų146.964%0.64378%0.777SS**  trans-79.6158.6156.7-9.628.3000111.1
40P33.1Very low33.6Very low130 Ų130148.7 Ų148.784%0.84479%0.785SS**  trans-83.8166.6179.735.6-36.5000113.5
41D25.4Very low32.9Very low151 Ų151152.6 Ų152.681%0.80779%0.794SS**  trans-148.1152.3-179.1-173.562.4000108.3
42P53.7Low32.7Very low101 Ų101148.8 Ų148.866%0.65680%0.795SS**  cis-119.2173.2-25.230.3-13.5000112.8
43E28.1Very low32.5Very low194 Ų194149.7 Ų149.791%0.90780%0.797SS**  trans-138.5154.3148-77.8-161.3159.100110.6
44E33.3Very low32.6Very low186 Ų186152.4 Ų152.487%0.86981%0.805SS**  trans-81.1172.8-172.6-52.4174.8115.600111.3
45E28.3Very low32.9Very low169 Ų169149.5 Ų149.579%0.7979%0.786SS**  cis-157164.827.5-65.2-179.59700111.7
46S29.2Very low33.2Very low101 Ų101147.6 Ų147.671%0.70678%0.776SS**  trans70144.7150.779.70000119.2
47Q28.3Very low33.2Very low176 Ų176143.8 Ų143.882%0.82277%0.77SS**  cis-153.4128.3-3.3-127.5162.745.500112
48S26.3Very low33.8Very low97 Ų97140.4 Ų140.468%0.67876%0.761SS**  trans22.3122.7154.6610000121.9
49L26.5Very low34.3Very low181 Ų181138.8 Ų138.895%0.94875%0.749SS**  -150.8127.9124-115.7167.3000109.6
50T28.4Very low34.7Very low119 Ų119140.3 Ų140.373%0.7375%0.747SS**  trans-126.6138.1-165.3-50.80000111.8
51I27.4Very low35.2Very low160 Ų160137.6 Ų137.682%0.82173%0.732SS**  trans-125.4133.3164.4-61178.7000106.3
52P34.8Very low36.3Very low123 Ų123135.2 Ų135.280%0.79972%0.718SS**  trans-79.6161.2-165.231.3-36.5000114.8
53M30.2Very low35.8Very low128 Ų128135 Ų13563%0.63171%0.708SS**  trans-82.5161.8-174.1-62.9-118.66400114.4E55M53-E55 HydrophobicContact CE-CB 3.98Å; M53-E55 HydrophobicContact CE-CG 4.17Å; M53-E55 VanDerWaalsContact CE-OE2 3.28Å; M53-E55 WeakPolarHBondContact CE-OE2 3.42Å
54L37.8Very low36.5Very low168 Ų168132.4 Ų132.488%0.8870%0.696SS**  trans-140.539.8159.9-165.864.6000111.1
55E41.4Very low36.9Very low121 Ų121133.3 Ų133.357%0.56569%0.691SS**  trans-99.7-21.7-175.1-110.162.9-140.400114M53 S57 K58M53-E55 HydrophobicContact CE-CB 3.98Å; M53-E55 HydrophobicContact CE-CG 4.17Å; M53-E55 VanDerWaalsContact CE-OE2 3.28Å; M53-E55 WeakPolarHBondContact CE-OE2 3.42Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.23Å; E55-S57 VanDerWaalsContact O-N 3.11Å; E55-K58 PolarHBondContact O-N 2.74Å; E55-K58 VanDerWaalsContact O-N 3.12Å
56D42.7Very low37.7Very low103 Ų103130.9 Ų130.955%0.55168%0.683SS**Hα-helixtrans-59.5-34.7-160.2-55.2-49.6000114K58 Q59 E60D56-K58 PolarHBondContact O-N 3.45Å; D56-K58 VanDerWaalsContact O-N 3.14Å; D56-Q59 PolarHBondContact O-N 3.28Å; D56-E60 PolarHBondContact O-N 3.48Å
57S42.9Very low38.2Very low99 Ų99131.7 Ų131.769%0.69268%0.68SS**Hα-helixtrans-58.9-27.4-179.61750000114.1E55E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.23Å; E55-S57 VanDerWaalsContact O-N 3.11Å
58K43.3Very low39Very low168 Ų168127 Ų12773%0.7367%0.666SS**Hα-helixtrans-84.9-33.5175.7-74.6178.8179.21700111.9E55 D56 I62E55-K58 PolarHBondContact O-N 2.74Å; E55-K58 VanDerWaalsContact O-N 3.12Å; D56-K58 PolarHBondContact O-N 3.45Å; D56-K58 VanDerWaalsContact O-N 3.14Å; K58-I62 WeakPolarHBondContact O-CG1 3.5Å; K58-I62 PolarHBondContact O-N 3.41Å
59Q45.3Very low39.8Very low140 Ų140124.8 Ų124.865%0.65466%0.659SS**Hα-helixtrans-69.8-45.8-179.7-160.476.1-15.500111.1D56 S61 I62 Q63D56-Q59 PolarHBondContact O-N 3.28Å; Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; Q59-I62 PolarHBondContact O-N 2.89Å; Q59-Q63 PolarHBondContact O-N 2.71Å
60E42.5Very low40.4Very low131 Ų131125.3 Ų125.361%0.61265%0.654SS**Hα-helixtrans-63.3-38.6176.4-70.8-165.7128.200112.4D56 I62 Q63 Q64D56-E60 PolarHBondContact O-N 3.48Å; E60-I62 VanDerWaalsContact C-N 3.3Å; E60-I62 PolarHBondContact O-N 2.97Å; E60-Q63 PolarHBondContact O-N 3.41Å; E60-Q64 WeakPolarHBondContact O-CB 3.28Å; E60-Q64 WeakPolarHBondContact O-CG 3.21Å; E60-Q64 PolarHBondContact O-N 3.22Å
61S43.8Very low40.9Very low74 Ų74129.5 Ų129.552%0.51766%0.663SS.*Hα-helixtrans-64-34.5177.7-175.10000112.6Q59 W65Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; S61-W65 PolarHBondContact O-N 3.17Å
62I48.8Very low41.2Very low101 Ų101128.1 Ų128.152%0.51866%0.661SS.*Hα-helixtrans-72.7-42175-67.9166.2000110.1K58 Q59 E60 W65 L66K58-I62 WeakPolarHBondContact O-CG1 3.5Å; K58-I62 PolarHBondContact O-N 3.41Å; Q59-I62 PolarHBondContact O-N 2.89Å; E60-I62 VanDerWaalsContact C-N 3.3Å; E60-I62 PolarHBondContact O-N 2.97Å; I62-W65 WeakPolarHBondContact O-CB 3.46Å; I62-W65 PolarHBondContact O-N 3.46Å; I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.38Å; I62-L66 PolarHBondContact O-N 2.81Å; I62-L66 VanDerWaalsContact O-N 3.14Å
63Q42.3Very low41.4Very low95 Ų95125.8 Ų125.844%0.44465%0.648SS.*Hα-helixtrans-66.2-43.6180-170.256.146.100112.1Q59 E60 W65 L66 D67Q59-Q63 PolarHBondContact O-N 2.71Å; E60-Q63 PolarHBondContact O-N 3.41Å; Q63-W65 PolarHBondContact O-N 3.17Å; Q63-L66 PolarHBondContact O-N 2.82Å; Q63-L66 VanDerWaalsContact O-N 3.12Å; Q63-D67 WeakPolarHBondContact CG-OD2 3.36Å; Q63-D67 PolarHBondContact NE2-OD1 3.24Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.1Å; Q63-D67 PolarHBondContact NE2-OD2 2.87Å; Q63-D67 PolarHBondContact O-N 3.2Å
64Q42.2Very low41.7Very low141 Ų141123 Ų12366%0.65965%0.646SS**Hα-helixtrans-59.1-32.2172.5-74.6-175.72.200112.8E60 S68E60-Q64 WeakPolarHBondContact O-CB 3.28Å; E60-Q64 WeakPolarHBondContact O-CG 3.21Å; E60-Q64 PolarHBondContact O-N 3.22Å; Q64-S68 WeakPolarHBondContact O-CB 3.24Å; Q64-S68 PolarHBondContact O-N 3.15Å; Q64-S68 VanDerWaalsContact O-N 3.14Å
65W42.6Very low42Very low204 Ų204121.9 Ų121.977%0.77364%0.641SS**Hα-helixtrans-71.1-36.7176.7-140.581.9000112.1S61 I62 Q63 S68S61-W65 PolarHBondContact O-N 3.17Å; I62-W65 WeakPolarHBondContact O-CB 3.46Å; I62-W65 PolarHBondContact O-N 3.46Å; Q63-W65 PolarHBondContact O-N 3.17Å; W65-S68 PolarHBondContact O-OG 2.75Å
66L45.4Very low41.9Very low118 Ų118123.5 Ų123.562%0.61865%0.648SS**Hα-helixtrans-71.1-41.8174.6-66170.6000112I62 Q63 S68I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.38Å; I62-L66 PolarHBondContact O-N 2.81Å; I62-L66 VanDerWaalsContact O-N 3.14Å; Q63-L66 PolarHBondContact O-N 2.82Å; Q63-L66 VanDerWaalsContact O-N 3.12Å; L66-S68 PolarHBondContact O-N 2.97Å
67D39.4Very low41.8Very low118 Ų118123.5 Ų123.563%0.63165%0.648SS**Hα-helixtrans-77.6-7.3-179.2-64.8-31.2000113.3Q63 G69Q63-D67 WeakPolarHBondContact CG-OD2 3.36Å; Q63-D67 PolarHBondContact NE2-OD1 3.24Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.1Å; Q63-D67 PolarHBondContact NE2-OD2 2.87Å; Q63-D67 PolarHBondContact O-N 3.2Å; D67-G69 PolarHBondContact O-N 3.09Å; D67-G69 VanDerWaalsContact O-N 3.15Å
68S45.5Very low41.5Very low77 Ų77125.6 Ų125.654%0.53865%0.645SS.*THydrogen-bonded Turntrans-69.7-3.3178.574.20000115.1Q64 W65 L66 F70Q64-S68 WeakPolarHBondContact O-CB 3.24Å; Q64-S68 PolarHBondContact O-N 3.15Å; Q64-S68 VanDerWaalsContact O-N 3.14Å; W65-S68 PolarHBondContact O-OG 2.75Å; L66-S68 PolarHBondContact O-N 2.97Å; S68-F70 PolarHBondContact O-N 3.08Å
69G41.7Very low41.6Very low52 Ų52123.1 Ų123.154%0.53664%0.636SS.*  trans76.311.2166.400000116.5D67 F71D67-G69 PolarHBondContact O-N 3.09Å; D67-G69 VanDerWaalsContact O-N 3.15Å; G69-F71 PolarHBondContact O-N 3.11Å
70F39.6Very low41.4Very low191 Ų191122.4 Ų122.484%0.83863%0.633SS**  trans-73.727.8-178.8-156.2-101.5000114.8S68S68-F70 PolarHBondContact O-N 3.08Å
71F39.6Very low41.4Very low208 Ų208119.9 Ų119.991%0.91263%0.626SS**  trans-124.668.2172.9-94.3-83.2000111G69G69-F71 PolarHBondContact O-N 3.11Å
72V34.3Very low41.7Very low130 Ų130120.4 Ų120.479%0.78862%0.622SS**  trans-74.1137.1163.1177.70000108.7A74V72-A74 PolarHBondContact O-N 3.11Å
73S38.4Very low41.1Very low74 Ų74120.1 Ų120.152%0.51762%0.622SS.*  trans-50.2107.4-171.2-177.10000113.9N75S73-N75 PolarHBondContact O-N 3.45Å; S73-N75 PolarHBondContact OG-N 3.31Å
74A37.1Very low40.9Very low71 Ų71124 Ų12459%0.58763%0.632SS**  trans-83.27.917000000112.9V72 F78V72-A74 PolarHBondContact O-N 3.11Å; A74-F78 WeakPolarHBondContact O-CD2 3.14Å; A74-F78 VanDerWaalsContact O-CE2 3.3Å; A74-F78 WeakPolarHBondContact O-CE2 3.26Å
75N42.6Very low40.9Very low144 Ų144121 Ų12177%0.7762%0.624SS**SBendtrans-94.2-18.7-171.1-165.463.9000114.5S73S73-N75 PolarHBondContact O-N 3.45Å; S73-N75 PolarHBondContact OG-N 3.31Å
76E40.7Very low40.9Very low154 Ų154115.8 Ų115.872%0.7261%0.614SS**SBendtrans-99-16.3-173.3-62.6-175.2155.800113.9
77N39Very low40.7Very low103 Ų103113.3 Ų113.355%0.55161%0.606SS**Hα-helixtrans-92-27-170.6-148.7-4.7000113.7Q79 Q80 V81N77-Q79 PolarHBondContact O-N 2.89Å; N77-Q80 PolarHBondContact O-N 3.3Å; N77-V81 WeakPolarHBondContact O-CG2 3.5Å; N77-V81 PolarHBondContact O-N 3.36Å; N77-V81 VanDerWaalsContact O-N 3.1Å
78F38Very low40.6Very low143 Ų143113.2 Ų113.263%0.62761%0.605SS**Hα-helixtrans-62.1-43.8-176.9-79.2-76.8000113.4A74 Q80 V81 I82A74-F78 WeakPolarHBondContact O-CD2 3.14Å; A74-F78 VanDerWaalsContact O-CE2 3.3Å; A74-F78 WeakPolarHBondContact O-CE2 3.26Å; F78-Q80 VanDerWaalsContact C-N 3.3Å; F78-Q80 PolarHBondContact O-N 2.95Å; F78-V81 PolarHBondContact O-N 3.43Å; F78-I82 WeakPolarHBondContact O-CG1 3.45Å; F78-I82 PolarHBondContact O-N 2.78Å
79Q44.1Very low40.4Very low117 Ų117118.1 Ų118.155%0.54761%0.613SS.*Hα-helixtrans-61.2-41.4177.9-167.76357.400111.5N77 V81 I82 D83N77-Q79 PolarHBondContact O-N 2.89Å; Q79-V81 VanDerWaalsContact C-N 3.28Å; Q79-V81 PolarHBondContact O-N 3.45Å; Q79-I82 PolarHBondContact O-N 2.87Å; Q79-D83 PolarHBondContact NE2-OD1 3.16Å; Q79-D83 PolarHBondContact O-N 3.12Å
80Q42.7Very low40.4Very low125 Ų125124.2 Ų124.258%0.58463%0.628SS**Hα-helixtrans-72.3-20.3-178.5-154.7174.2111.200113.4N77 F78N77-Q80 PolarHBondContact O-N 3.3Å; F78-Q80 VanDerWaalsContact C-N 3.3Å; F78-Q80 PolarHBondContact O-N 2.95Å
81V41.5Very low40.5Very low77 Ų77122.4 Ų122.447%0.46762%0.622SS.*Hα-helixtrans-78.9-43.8168.7171.30000111N77 F78 Q79 R84 T85N77-V81 WeakPolarHBondContact O-CG2 3.5Å; N77-V81 PolarHBondContact O-N 3.36Å; N77-V81 VanDerWaalsContact O-N 3.1Å; F78-V81 PolarHBondContact O-N 3.43Å; Q79-V81 VanDerWaalsContact C-N 3.28Å; Q79-V81 PolarHBondContact O-N 3.45Å; V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 2.69Å; V81-T85 PolarHBondContact O-N 3.24Å; V81-T85 PolarHBondContact O-OG1 3.12Å
82I49.3Very low40.8Very low85 Ų85115.7 Ų115.744%0.43661%0.612SS.*Hα-helixtrans-61.1-48.4178.2-68.7163.5000111F78 Q79 R84 T85 V86F78-I82 WeakPolarHBondContact O-CG1 3.45Å; F78-I82 PolarHBondContact O-N 2.78Å; Q79-I82 PolarHBondContact O-N 2.87Å; I82-R84 PolarHBondContact O-N 3.14Å; I82-T85 PolarHBondContact O-N 2.89Å; I82-T85 PolarHBondContact O-OG1 2.76Å; I82-T85 VanDerWaalsContact O-OG1 3.1Å; I82-V86 HydrophobicContact CG2-CG2 4.48Å; I82-V86 WeakPolarHBondContact O-CG2 3.47Å; I82-V86 PolarHBondContact O-N 3.41Å
83D37.6Very low41.1Very low96 Ų96117.1 Ų117.151%0.51361%0.611SS.*Hα-helixtrans-61.9-28.4179.3-60.4-10.4000111.4Q79 S87Q79-D83 PolarHBondContact NE2-OD1 3.16Å; Q79-D83 PolarHBondContact O-N 3.12Å; D83-S87 PolarHBondContact O-N 2.91Å
84R37.5Very low41.6Very low177 Ų177120 Ų12067%0.66863%0.625SS**Hα-helixtrans-74.9-46.5173.9-103.7178.3168.6156.4-2.3113.2V81 I82 V86 S87 L88V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 2.69Å; I82-R84 PolarHBondContact O-N 3.14Å; R84-V86 VanDerWaalsContact C-N 3.32Å; R84-V86 PolarHBondContact O-N 2.9Å; R84-S87 PolarHBondContact O-N 3.21Å; R84-S87 PolarHBondContact O-OG 2.72Å; R84-L88 PolarHBondContact O-N 3.02Å
85T43Very low42.1Very low78 Ų78122.9 Ų122.948%0.47963%0.627SS.*Hα-helixtrans-67.2-34.6179.949.10000112V81 I82 L88V81-T85 PolarHBondContact O-N 3.24Å; V81-T85 PolarHBondContact O-OG1 3.12Å; I82-T85 PolarHBondContact O-N 2.89Å; I82-T85 PolarHBondContact O-OG1 2.76Å; I82-T85 VanDerWaalsContact O-OG1 3.1Å; T85-L88 PolarHBondContact O-N 3.48Å
86V42.5Very low42.8Very low93 Ų93121.8 Ų121.856%0.56462%0.619SS**Hα-helixtrans-61-45.5170.7173.70000111I82 R84 L88 Y89I82-V86 HydrophobicContact CG2-CG2 4.48Å; I82-V86 WeakPolarHBondContact O-CG2 3.47Å; I82-V86 PolarHBondContact O-N 3.41Å; R84-V86 VanDerWaalsContact C-N 3.32Å; R84-V86 PolarHBondContact O-N 2.9Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 PolarHBondContact O-N 3.45Å; V86-Y89 PolarHBondContact O-N 3.46Å; V86-Y89 VanDerWaalsContact O-N 3.14Å
87S40.3Very low44Very low66 Ų66116.4 Ų116.446%0.46260%0.596SS.*Hα-helixtrans-63.1-27.6179.375.70000114.4D83 R84D83-S87 PolarHBondContact O-N 2.91Å; R84-S87 PolarHBondContact O-N 3.21Å; R84-S87 PolarHBondContact O-OG 2.72Å
88L37.1Very low44.8Very low116 Ų116115 Ų11561%0.60759%0.591SS**Hα-helixtrans-74.9-24.2177.6-75.7167.1000112.9R84 T85 V86 Q91R84-L88 PolarHBondContact O-N 3.02Å; T85-L88 PolarHBondContact O-N 3.48Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 PolarHBondContact O-N 3.45Å; L88-Q91 PolarHBondContact O-N 3.29Å
89Y42Very low45.9Very low181 Ų181111.2 Ų111.271%0.7157%0.574SS**Hα-helixtrans-76.5-22.3-178.9-121.1-79.6000113.6V86 Q95V86-Y89 PolarHBondContact O-N 3.46Å; V86-Y89 VanDerWaalsContact O-N 3.14Å; Y89-Q95 PolarHBondContact OH-NE2 3.4Å
90E41.3Very low46.8Very low179 Ų179108.2 Ų108.284%0.83656%0.562SS**SBendtrans-82-18.1172.2-68.9-166.812300113.2G92E90-G92 PolarHBondContact O-N 3.17Å
91Q41.5Very low47.8Very low154 Ų154108.8 Ų108.872%0.7256%0.56SS**SBendtrans-83.940.2-170.7-163.871.682.100113.7L88 M93L88-Q91 PolarHBondContact O-N 3.29Å; Q91-M93 VanDerWaalsContact C-N 3.32Å; Q91-M93 PolarHBondContact O-N 3.29Å
92G47.3Very low48.6Very low67 Ų67108.3 Ų108.369%0.69155%0.554SS**  trans58.928.6157.800000117.4E90 V94E90-G92 PolarHBondContact O-N 3.17Å; G92-V94 PolarHBondContact O-N 3.26Å
93M39.8Very low49.4Very low159 Ų159109.3 Ų109.378%0.78355%0.552SS**  trans-75.1114.2173.4-65.1-91.56900109.7Q91 Q95Q91-M93 VanDerWaalsContact C-N 3.32Å; Q91-M93 PolarHBondContact O-N 3.29Å; M93-Q95 PolarHBondContact O-N 2.96Å
94V48.4Very low50.4Low134 Ų134106.8 Ų106.881%0.81254%0.542SS*.  trans-68.2105.1168.91790000107.7G92 M96G92-V94 PolarHBondContact O-N 3.26Å; V94-M96 PolarHBondContact O-N 3.38Å
95Q47.8Very low51.3Low132 Ų132102.1 Ų102.162%0.61753%0.529SS*.  trans-66.5105.2172.6-73.4179.4-8.500108.8Y89 M93 T97Y89-Q95 PolarHBondContact OH-NE2 3.4Å; M93-Q95 PolarHBondContact O-N 2.96Å; Q95-T97 PolarHBondContact O-N 2.87Å
96M56.7Low51.7Low122 Ų122102 Ų10260%0.60152%0.523SS*.  trans-77108.8163.4-166.477.573.400106.5V94 D100V94-M96 PolarHBondContact O-N 3.38Å; M96-D100 HydrophobicContact CG-CB 4.02Å; M96-D100 HydrophobicContact SD-CB 3.63Å
97T66Low52Low41 Ų41104.7 Ų104.725%0.25253%0.53SS..  trans-65.5163.1178.267.60000110.4Q95 K99 D100 Y101Q95-T97 PolarHBondContact O-N 2.87Å; T97-K99 PolarHBondContact O-N 3.45Å; T97-K99 PolarHBondContact OG1-N 3.33Å; T97-D100 PolarHBondContact O-N 2.99Å; T97-D100 PolarHBondContact OG1-N 3.3Å; T97-D100 PolarHBondContact OG1-OD2 2.94Å; T97-Y101 PolarHBondContact O-N 3.07Å
98V56.7Low51.9Low72 Ų72109.2 Ų109.244%0.43654%0.542SS..Hα-helixtrans-58.4-37.9173179.30000110.6D100 Y101 M102V98-D100 VanDerWaalsContact C-N 3.35Å; V98-D100 PolarHBondContact O-N 2.72Å; V98-Y101 PolarHBondContact O-N 3.02Å; V98-M102 HydrophobicContact CG1-CG 4.34Å; V98-M102 WeakPolarHBondContact O-CB 3.46Å; V98-M102 VanDerWaalsContact O-CG 3.25Å; V98-M102 WeakPolarHBondContact O-CG 3.43Å; V98-M102 PolarHBondContact O-N 2.97Å
99K60.9Low52.1Low64 Ų64107.7 Ų107.728%0.27854%0.54SS..Hα-helixtrans-59.7-39.4173.5-179.8157.8-167.3152.50112.6T97 R103 E146 L149T97-K99 PolarHBondContact O-N 3.45Å; T97-K99 PolarHBondContact OG1-N 3.33Å; K99-R103 PolarHBondContact O-N 3.39Å; K99-R103 VanDerWaalsContact O-N 3.16Å; K99-E146 IonicContact NZ-OE2 2.89Å; K99-L149 HydrophobicContact CB-CD2 3.94Å; K99-L149 HydrophobicContact CD-CD1 4.41Å; K99-L149 HydrophobicContact CD-CD2 3.85Å; K99-L149 HydrophobicContact CG-CD1 4.13Å; K99-L149 HydrophobicContact CG-CD2 3.73Å
100D62.8Low51.9Low55 Ų55106.9 Ų106.929%0.29454%0.543SS..Hα-helixtrans-77.7-33.7178.2-58.2-46000112.9M96 T97 V98 R103 S104M96-D100 HydrophobicContact CG-CB 4.02Å; M96-D100 HydrophobicContact SD-CB 3.63Å; T97-D100 PolarHBondContact O-N 2.99Å; T97-D100 PolarHBondContact OG1-N 3.3Å; T97-D100 PolarHBondContact OG1-OD2 2.94Å; V98-D100 VanDerWaalsContact C-N 3.35Å; V98-D100 PolarHBondContact O-N 2.72Å; D100-R103 IonicContact OD1-CZ 2.69Å; D100-R103 IonicContact OD1-NH1 2.9Å; D100-R103 PolarHBondContact OD1-NH1 3.4Å; D100-S104 VanDerWaalsContact O-CB 3.28Å; D100-S104 WeakPolarHBondContact O-CB 3.37Å; D100-S104 PolarHBondContact O-N 3.04Å
101Y63.8Low51.5Low136 Ų136103.8 Ų103.853%0.53354%0.536SS..Hα-helixtrans-65.4-44.4172.3177.2-105.2000111.9T97 V98 S104 L105T97-Y101 PolarHBondContact O-N 3.07Å; V98-Y101 PolarHBondContact O-N 3.02Å; Y101-S104 WeakPolarHBondContact O-CB 3.47Å; Y101-S104 PolarHBondContact O-N 3.02Å; Y101-L105 HydrophobicContact CD1-CD1 4.09Å; Y101-L105 HydrophobicContact CE1-CD1 3.53Å; Y101-L105 HydrophobicContact CE1-CG 4.21Å; Y101-L105 HydrophobicContact CE2-CG 4.48Å; Y101-L105 PolarHBondContact O-N 3.28Å
102M59.5Low51.2Low68 Ų68102 Ų10234%0.33554%0.539SS..Hα-helixtrans-59.8-45.9174.6-72.3-67.8-70.500111.6V98 S104 L105 H106 V145V98-M102 HydrophobicContact CG1-CG 4.34Å; V98-M102 WeakPolarHBondContact O-CB 3.46Å; V98-M102 VanDerWaalsContact O-CG 3.25Å; V98-M102 WeakPolarHBondContact O-CG 3.43Å; V98-M102 PolarHBondContact O-N 2.97Å; M102-S104 VanDerWaalsContact C-N 3.32Å; M102-S104 PolarHBondContact O-N 3.32Å; M102-L105 PolarHBondContact O-N 2.9Å; M102-H106 PolarHBondContact O-N 3.19Å; M102-V145 HydrophobicContact CB-CG1 4.33Å; M102-V145 HydrophobicContact CE-CG1 4Å; M102-V145 HydrophobicContact CE-CG2 4.21Å
103R65Low50.5Low106 Ų106106.8 Ų106.840%0.455%0.546SS..Hα-helixtrans-63.5-37.1175.3-163.2-178.3-55.8103.23.6112.6K99 D100 H106 Q107 E146K99-R103 PolarHBondContact O-N 3.39Å; K99-R103 VanDerWaalsContact O-N 3.16Å; D100-R103 IonicContact OD1-CZ 2.69Å; D100-R103 IonicContact OD1-NH1 2.9Å; D100-R103 PolarHBondContact OD1-NH1 3.4Å; R103-H106 PolarHBondContact O-N 2.94Å; R103-Q107 PolarHBondContact O-N 2.92Å; R103-E146 IonicContact NE-OE1 2.75Å; R103-E146 IonicContact NH2-OE1 2.74Å
104S59.3Low50.2Low43 Ų43106.7 Ų106.730%0.30155%0.548SS..Hα-helixtrans-65.5-35.6175.2-171.10000112.4D100 Y101 M102 Q107 F108D100-S104 VanDerWaalsContact O-CB 3.28Å; D100-S104 WeakPolarHBondContact O-CB 3.37Å; D100-S104 PolarHBondContact O-N 3.04Å; Y101-S104 WeakPolarHBondContact O-CB 3.47Å; Y101-S104 PolarHBondContact O-N 3.02Å; M102-S104 VanDerWaalsContact C-N 3.32Å; M102-S104 PolarHBondContact O-N 3.32Å; S104-Q107 WeakPolarHBondContact O-CB 3.36Å; S104-Q107 PolarHBondContact O-N 3.36Å; S104-F108 WeakPolarHBondContact O-CD2 3.32Å
105L55.6Low49.5Very low78 Ų78106.3 Ų106.341%0.40855%0.551SS.*Hα-helixtrans-64.1-40.8175.4-76.6172.6000112.7Y101 M102 Q107 F108Y101-L105 HydrophobicContact CD1-CD1 4.09Å; Y101-L105 HydrophobicContact CE1-CD1 3.53Å; Y101-L105 HydrophobicContact CE1-CG 4.21Å; Y101-L105 HydrophobicContact CE2-CG 4.48Å; Y101-L105 PolarHBondContact O-N 3.28Å; M102-L105 PolarHBondContact O-N 2.9Å; L105-Q107 PolarHBondContact O-N 2.94Å; L105-F108 PolarHBondContact O-N 2.86Å
106H50.8Low48.9Very low75 Ų75112 Ų11235%0.34757%0.567SS.*Hα-helixtrans-64.1-28174.5-81.1-148000112M102 R103 F108 S109 D143 V145M102-H106 PolarHBondContact O-N 3.19Å; R103-H106 PolarHBondContact O-N 2.94Å; H106-F108 PolarHBondContact O-N 2.81Å; H106-S109 PolarHBondContact O-N 2.7Å; H106-S109 PolarHBondContact O-OG 2.97Å; H106-D143 IonicContact CE1-OD1 2.72Å; H106-D143 PolarHBondContact CE1-OD1 2.84Å; H106-D143 IonicContact CE1-OD2 2.73Å; H106-D143 PolarHBondContact CE1-OD2 3.29Å; H106-D143 VanDerWaalsContact CE1-OD2 3.25Å; H106-D143 IonicContact ND1-OD1 3.64Å; H106-D143 IonicContact ND1-OD2 3.81Å; H106-D143 PolarHBondContact ND1-OD2 3.02Å; H106-V145 VanDerWaalsContact CE1-CG2 3.44Å; H106-V145 WeakPolarHBondContact CE1-CG2 3.15Å; H106-V145 WeakPolarHBondContact NE2-CG2 3.44Å
107Q49.2Very low47.7Very low151 Ų151109.3 Ų109.371%0.70657%0.571SS**THydrogen-bonded Turntrans-73.70.2173.5-164.7142.770.600114.3R103 S104 L105R103-Q107 PolarHBondContact O-N 2.92Å; S104-Q107 WeakPolarHBondContact O-CB 3.36Å; S104-Q107 PolarHBondContact O-N 3.36Å; L105-Q107 PolarHBondContact O-N 2.94Å
108F39.4Very low46.2Very low161 Ų161113.8 Ų113.871%0.70660%0.598SS**THydrogen-bonded Turntrans-113.1-5.2172.1-67.1-67.4000114.5S104 L105 H106S104-F108 WeakPolarHBondContact O-CD2 3.32Å; L105-F108 PolarHBondContact O-N 2.86Å; H106-F108 PolarHBondContact O-N 2.81Å
109S39.8Very low45.1Very low83 Ų83115.7 Ų115.758%0.5862%0.615SS**THydrogen-bonded Turntrans-84.2-17.6175.957.50000113.6H106 T111H106-S109 PolarHBondContact O-N 2.7Å; H106-S109 PolarHBondContact O-OG 2.97Å; S109-T111 VanDerWaalsContact C-N 3.28Å; S109-T111 PolarHBondContact O-N 3.37Å
110E39.3Very low44Very low164 Ų164122.7 Ų122.777%0.76665%0.646SS**  trans-66.479.3170.3-71.6-164.2134.900112.1P112E110-P112 WeakPolarHBondContact O-CD 3.26Å
111T31.4Very low42.8Very low114 Ų114127.6 Ų127.670%0.69967%0.672SS**  trans-67123.9166.561.10000109.6S109 I113S109-T111 VanDerWaalsContact C-N 3.28Å; S109-T111 PolarHBondContact O-N 3.37Å; T111-I113 PolarHBondContact O-N 2.85Å; T111-I113 VanDerWaalsContact O-N 3.11Å
112P35.6Very low41.3Very low118 Ų118126 Ų12677%0.76668%0.681SS**  trans-76.4107.7-16727.9-35000111.9E110 L114E110-P112 WeakPolarHBondContact O-CD 3.26Å; P112-L114 PolarHBondContact O-N 3.44Å
113I32.1Very low40.1Very low166 Ų166128.1 Ų128.185%0.85170%0.701SS**  trans-72.480.4173.1-53-178.2000109.8T111T111-I113 PolarHBondContact O-N 2.85Å; T111-I113 VanDerWaalsContact O-N 3.11Å
114L33.9Very low39Very low158 Ų158133.7 Ų133.783%0.82772%0.724SS**  trans23.895.6165.7-65178.3000117.2P112 R116P112-L114 PolarHBondContact O-N 3.44Å; L114-R116 PolarHBondContact O-N 3.39Å
115S34.4Very low37.8Very low125 Ų125137 Ų13787%0.87475%0.746SS**  trans-56.5107.3171-43.40000112.8
116R34.7Very low36.9Very low252 Ų252139.5 Ų139.595%0.95177%0.765SS**  trans-101.360.6161.9-167.7176.2177.7138.2-0.2109.8L114L114-R116 PolarHBondContact O-N 3.39Å
117G31.3Very low36.7Very low66 Ų66140.2 Ų140.268%0.6878%0.784SS**  trans-84.7172.1-160.800000116.8
118T34.1Very low36.8Very low134 Ų134137 Ų13782%0.82278%0.778SS**  trans-136.8144.2160.9450000109.8
119S33.3Very low37.8Very low112 Ų112134.3 Ų134.378%0.78378%0.775SS**  trans52.4105.5165.153.80000119.5N121S119-N121 PolarHBondContact O-N 2.91Å
120F39.1Very low38.8Very low211 Ų211130.9 Ų130.993%0.92575%0.751SS**  trans-63.8104.8146.8-85-107.3000109.6
121N36.2Very low40.1Very low159 Ų159131.7 Ų131.785%0.8575%0.754SS**  trans176.397.7145.4-103.1-8.7000112.6S119S119-N121 PolarHBondContact O-N 2.91Å
122S32.8Very low41.7Very low102 Ų102128.9 Ų128.971%0.71374%0.74SS**  trans175.2109.8135.153.90000110.6
123C34.6Very low43.1Very low113 Ų113129.5 Ų129.576%0.76474%0.735SS**SBendtrans-73.3150.8155.6-60.30000108.7
124Y41.4Very low44.9Very low223 Ų223125.9 Ų125.988%0.87572%0.722SS**  trans65.1105.6-178-47.8-78.4000114.9
125S35.8Very low46.5Very low111 Ų111121.9 Ų121.978%0.77670%0.699SS**  trans-136142.3148.7-77.40000107.9
126T36.7Very low48.1Very low132 Ų132121.1 Ų121.181%0.8168%0.677SS**  trans-63147.9-174.746.70000111.5S128T126-S128 PolarHBondContact O-N 3.49Å
127A45.8Very low49.5Very low89 Ų89114.9 Ų114.974%0.73666%0.662SS**  trans-50.9108.6169.900000110.4
128S51.8Low51.1Low83 Ų83118.4 Ų118.458%0.5866%0.661SS**PPolyproline II helixtrans-74.9130.3172.943.90000108.7T126 P130T126-S128 PolarHBondContact O-N 3.49Å; S128-P130 WeakPolarHBondContact O-CD 3.35Å
129V60.5Low52.5Low105 Ų105118.4 Ų118.464%0.63665%0.65SS**PPolyproline II helixtrans-55.8124.5170.9-178.70000108.3Q131 W136V129-Q131 PolarHBondContact O-N 3.36Å; V129-W136 HydrophobicContact CG1-CH2 4.36Å; V129-W136 HydrophobicContact CG1-CZ2 3.68Å
130P60.5Low53.6Low12 Ų12121.4 Ų121.48%0.07864%0.644CS.*PPolyproline II helixtrans-56.8135.2-179.5-25.934.3000111.4S128 E135 W136 F139S128-P130 WeakPolarHBondContact O-CD 3.35Å; P130-E135 HydrophobicContact CB-CB 4.08Å; P130-E135 HydrophobicContact CB-CG 3.87Å; P130-W136 HydrophobicContact CB-CB 4.44Å; P130-W136 HydrophobicContact CB-CD2 3.95Å; P130-W136 HydrophobicContact CB-CG 3.79Å; P130-W136 HydrophobicContact CG-CD2 3.99Å; P130-W136 HydrophobicContact CG-CE3 4.3Å; P130-W136 HydrophobicContact CG-CG 4.27Å; P130-W136 PolarHBondContact O-NE1 3.02Å; P130-F139 HydrophobicContact CG-CB 4.07Å; P130-F139 HydrophobicContact CG-CD2 4.26Å; P130-F139 HydrophobicContact CG-CG 4.11Å
131Q66.3Low54.8Low180 Ų180118.8 Ų118.884%0.84164%0.635SS**  trans-99.5-7.6-172.8-58.7-169.712.400112.5V129 E135V129-Q131 PolarHBondContact O-N 3.36Å; Q131-E135 PolarHBondContact N-OE2 3.33Å
132S65.1Low56.1Low56 Ų56116.4 Ų116.439%0.39262%0.621SS.*SBendtrans-134.3156.1176.672.30000112.7E135 W136S132-E135 PolarHBondContact N-OE2 3.2Å; S132-E135 PolarHBondContact O-N 3.45Å; S132-E135 WeakPolarHBondContact OG-CB 3.27Å; S132-E135 PolarHBondContact OG-N 2.91Å; S132-W136 VanDerWaalsContact O-CD1 3.32Å; S132-W136 PolarHBondContact O-N 3.17Å
133I64.5Low57.9Low130 Ų130114.3 Ų114.367%0.66760%0.602SS**Hα-helixtrans-62.3-41179.8-64.3171.2000112.6E135 W136 L137I133-E135 VanDerWaalsContact C-N 3.34Å; I133-E135 PolarHBondContact O-N 2.91Å; I133-W136 WeakPolarHBondContact O-CB 3.23Å; I133-W136 PolarHBondContact O-N 3.47Å; I133-L137 HydrophobicContact CG2-CD1 4.13Å; I133-L137 HydrophobicContact CG2-CG 4.46Å; I133-L137 WeakPolarHBondContact O-CG 3.28Å; I133-L137 PolarHBondContact O-N 2.83Å
134P71.1Confident59.4Low90 Ų90113.1 Ų113.158%0.58459%0.593SS**Hα-helixtrans-60.2-42.2173.8-24.935.8000112.8W136 L137 E138P134-W136 VanDerWaalsContact C-N 3.31Å; P134-W136 PolarHBondContact O-N 2.93Å; P134-L137 WeakPolarHBondContact O-CB 3.24Å; P134-L137 PolarHBondContact O-N 3.44Å; P134-E138 WeakPolarHBondContact O-CB 3.32Å; P134-E138 PolarHBondContact O-N 3.3Å
135E67.6Low60.7Low75 Ų75103.5 Ų103.535%0.3556%0.557SS.*Hα-helixtrans-68.3-29.2178.2-166.1-174.2-157.800111.9P130 Q131 S132 I133 F139P130-E135 HydrophobicContact CB-CB 4.08Å; P130-E135 HydrophobicContact CB-CG 3.87Å; Q131-E135 PolarHBondContact N-OE2 3.33Å; S132-E135 PolarHBondContact N-OE2 3.2Å; S132-E135 PolarHBondContact O-N 3.45Å; S132-E135 WeakPolarHBondContact OG-CB 3.27Å; S132-E135 PolarHBondContact OG-N 2.91Å; I133-E135 VanDerWaalsContact C-N 3.34Å; I133-E135 PolarHBondContact O-N 2.91Å; E135-F139 VanDerWaalsContact O-CB 3.23Å; E135-F139 WeakPolarHBondContact O-CB 3.24Å; E135-F139 PolarHBondContact O-N 2.79Å; E135-F139 VanDerWaalsContact O-N 3.07Å
136W66Low62.5Low109 Ų109101.3 Ų101.341%0.41353%0.534SS..Hα-helixtrans-69-41.7165.7-86.2101.2000112.1V129 P130 S132 I133 P134 F139 W140V129-W136 HydrophobicContact CG1-CH2 4.36Å; V129-W136 HydrophobicContact CG1-CZ2 3.68Å; P130-W136 HydrophobicContact CB-CB 4.44Å; P130-W136 HydrophobicContact CB-CD2 3.95Å; P130-W136 HydrophobicContact CB-CG 3.79Å; P130-W136 HydrophobicContact CG-CD2 3.99Å; P130-W136 HydrophobicContact CG-CE3 4.3Å; P130-W136 HydrophobicContact CG-CG 4.27Å; P130-W136 PolarHBondContact O-NE1 3.02Å; S132-W136 VanDerWaalsContact O-CD1 3.32Å; S132-W136 PolarHBondContact O-N 3.17Å; I133-W136 WeakPolarHBondContact O-CB 3.23Å; I133-W136 PolarHBondContact O-N 3.47Å; P134-W136 VanDerWaalsContact C-N 3.31Å; P134-W136 PolarHBondContact O-N 2.93Å; W136-F139 PolarHBondContact O-N 3.46Å; W136-W140 AromaticContact CE3-CD1 3.77Å; W136-W140 AromaticContact CE3-NE1 3.44Å; W136-W140 AromaticContact CZ3-NE1 3.52Å; W136-W140 VanDerWaalsContact O-CD1 3.22Å; W136-W140 PolarHBondContact O-N 3.38Å
137L65.9Low64.3Low120 Ų12098.5 Ų98.563%0.62851%0.514SS*.Hα-helixtrans-65.8-41.6179.1-71.3167.9000111.4I133 P134 W140 E141I133-L137 HydrophobicContact CG2-CD1 4.13Å; I133-L137 HydrophobicContact CG2-CG 4.46Å; I133-L137 WeakPolarHBondContact O-CG 3.28Å; I133-L137 PolarHBondContact O-N 2.83Å; P134-L137 WeakPolarHBondContact O-CB 3.24Å; P134-L137 PolarHBondContact O-N 3.44Å; L137-W140 CarbonylContact O-C 3.57Å; L137-W140 VanDerWaalsContact O-C 3.25Å; L137-W140 PolarHBondContact O-N 2.97Å; L137-W140 VanDerWaalsContact O-N 3.15Å; L137-E141 PolarHBondContact O-N 3.17Å
138E64.3Low65.7Low141 Ų14198.1 Ų98.166%0.65950%0.499SS*.Hα-helixtrans-64.5-38.5174-170173-162.500111.5P134 W140 E141P134-E138 WeakPolarHBondContact O-CB 3.32Å; P134-E138 PolarHBondContact O-N 3.3Å; E138-W140 PolarHBondContact O-N 3.47Å; E138-E141 PolarHBondContact O-N 3.49Å
139F62.5Low66.8Low133 Ų13395 Ų9558%0.58348%0.476SS*.Hα-helixtrans-71.1-16.5173.7-160.6-86.3000113.8P130 E135 W136P130-F139 HydrophobicContact CG-CB 4.07Å; P130-F139 HydrophobicContact CG-CD2 4.26Å; P130-F139 HydrophobicContact CG-CG 4.11Å; E135-F139 VanDerWaalsContact O-CB 3.23Å; E135-F139 WeakPolarHBondContact O-CB 3.24Å; E135-F139 PolarHBondContact O-N 2.79Å; E135-F139 VanDerWaalsContact O-N 3.07Å; W136-F139 PolarHBondContact O-N 3.46Å
140W57Low67.5Low175 Ų17596.6 Ų96.666%0.66348%0.481SS*.THydrogen-bonded Turntrans-112.813.8173.9-73.979.3000112.6W136 L137 E138 I142W136-W140 AromaticContact CE3-CD1 3.77Å; W136-W140 AromaticContact CE3-NE1 3.44Å; W136-W140 AromaticContact CZ3-NE1 3.52Å; W136-W140 VanDerWaalsContact O-CD1 3.22Å; W136-W140 PolarHBondContact O-N 3.38Å; L137-W140 CarbonylContact O-C 3.57Å; L137-W140 VanDerWaalsContact O-C 3.25Å; L137-W140 PolarHBondContact O-N 2.97Å; L137-W140 VanDerWaalsContact O-N 3.15Å; E138-W140 PolarHBondContact O-N 3.47Å; W140-I142 VanDerWaalsContact C-N 3.28Å; W140-I142 PolarHBondContact O-N 2.82Å
141E64.4Low68.2Low156 Ų156101.8 Ų101.873%0.72951%0.507SS*.  trans-79.781.7173.3-170.2161.4-164.900108.4L137 E138 D143L137-E141 PolarHBondContact O-N 3.17Å; E138-E141 PolarHBondContact O-N 3.49Å; E141-D143 PolarHBondContact O-N 2.91Å
142I63.5Low68.2Low110 Ų11095.4 Ų95.456%0.56449%0.489SS*.  trans-67.8114.5-179.4-47.8176000108.2W140 I147W140-I142 VanDerWaalsContact C-N 3.28Å; W140-I142 PolarHBondContact O-N 2.82Å; I142-I147 HydrophobicContact CB-CD1 4.07Å; I142-I147 HydrophobicContact CB-CG1 4.21Å; I142-I147 HydrophobicContact CG2-CD1 3.96Å; I142-I147 HydrophobicContact CG2-CG1 3.52Å
143D70.9Confident68Low58 Ų5899 Ų9931%0.3150%0.498SS..  trans-52.1120.5179.7-174.6-24.1000110H106 E141 V145 E146 I147H106-D143 IonicContact CE1-OD1 2.72Å; H106-D143 PolarHBondContact CE1-OD1 2.84Å; H106-D143 IonicContact CE1-OD2 2.73Å; H106-D143 PolarHBondContact CE1-OD2 3.29Å; H106-D143 VanDerWaalsContact CE1-OD2 3.25Å; H106-D143 IonicContact ND1-OD1 3.64Å; H106-D143 IonicContact ND1-OD2 3.81Å; H106-D143 PolarHBondContact ND1-OD2 3.02Å; E141-D143 PolarHBondContact O-N 2.91Å; D143-V145 PolarHBondContact O-N 3.03Å; D143-V145 WeakPolarHBondContact OD1-CB 3.24Å; D143-V145 PolarHBondContact OD1-N 3.16Å; D143-E146 PolarHBondContact O-N 2.77Å; D143-I147 PolarHBondContact O-N 3.15Å
144P65.5Low68Low88 Ų8894.4 Ų94.457%0.57148%0.483SS*.Hα-helixtrans-58.5-22.7-179.524.3-34.8000112.9L148P144-L148 WeakPolarHBondContact O-CB 3.44Å; P144-L148 WeakPolarHBondContact O-CD1 3.49Å; P144-L148 WeakPolarHBondContact O-CG 3.41Å; P144-L148 PolarHBondContact O-N 3.24Å
145V69.8Low67.6Low20 Ų2093.5 Ų93.512%0.12148%0.483CS..Hα-helixtrans-71.2-43.3174176.90000111.6M102 H106 D143 L148 L149M102-V145 HydrophobicContact CB-CG1 4.33Å; M102-V145 HydrophobicContact CE-CG1 4Å; M102-V145 HydrophobicContact CE-CG2 4.21Å; H106-V145 VanDerWaalsContact CE1-CG2 3.44Å; H106-V145 WeakPolarHBondContact CE1-CG2 3.15Å; H106-V145 WeakPolarHBondContact NE2-CG2 3.44Å; D143-V145 PolarHBondContact O-N 3.03Å; D143-V145 WeakPolarHBondContact OD1-CB 3.24Å; D143-V145 PolarHBondContact OD1-N 3.16Å; V145-L148 PolarHBondContact O-N 3.2Å; V145-L149 HydrophobicContact CG1-CD1 3.78Å; V145-L149 HydrophobicContact CG1-CG 4.36Å; V145-L149 WeakPolarHBondContact O-CB 3.09Å; V145-L149 WeakPolarHBondContact O-CD1 3.22Å; V145-L149 WeakPolarHBondContact O-CG 3.46Å; V145-L149 PolarHBondContact O-N 2.9Å
146E73.1Confident67.4Low65 Ų6594.6 Ų94.630%0.30449%0.491SS..Hα-helixtrans-72.4-30.2175.2-67.6-71.1-178.800111.5K99 R103 D143 L148 L149 D150K99-E146 IonicContact NZ-OE2 2.89Å; R103-E146 IonicContact NE-OE1 2.75Å; R103-E146 IonicContact NH2-OE1 2.74Å; D143-E146 PolarHBondContact O-N 2.77Å; E146-L148 PolarHBondContact O-N 3.25Å; E146-L149 PolarHBondContact O-N 3.06Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.44Å; E146-D150 WeakPolarHBondContact O-CB 3.35Å; E146-D150 PolarHBondContact O-N 3.48Å
147I74.8Confident67.2Low74 Ų7497.7 Ų97.738%0.37951%0.51SS..Hα-helixtrans-57.7-49167.3-60.1177.6000110.6I142 D143 L149 D150 L151I142-I147 HydrophobicContact CB-CD1 4.07Å; I142-I147 HydrophobicContact CB-CG1 4.21Å; I142-I147 HydrophobicContact CG2-CD1 3.96Å; I142-I147 HydrophobicContact CG2-CG1 3.52Å; D143-I147 PolarHBondContact O-N 3.15Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.92Å; I147-D150 PolarHBondContact O-N 3.36Å; I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.41Å; I147-L151 WeakPolarHBondContact O-CB 3.38Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.18Å
148L73.9Confident67.1Low81 Ų8196 Ų9642%0.42451%0.506SS..Hα-helixtrans-63.7-39.4179.4-75.7167.2000111.7P144 V145 E146 L151 G152 F153P144-L148 WeakPolarHBondContact O-CB 3.44Å; P144-L148 WeakPolarHBondContact O-CD1 3.49Å; P144-L148 WeakPolarHBondContact O-CG 3.41Å; P144-L148 PolarHBondContact O-N 3.24Å; V145-L148 PolarHBondContact O-N 3.2Å; E146-L148 PolarHBondContact O-N 3.25Å; L148-L151 CarbonylContact O-C 3.25Å; L148-L151 PolarHBondContact O-N 2.95Å; L148-G152 PolarHBondContact O-N 3.43Å; L148-F153 HydrophobicContact CB-CB 4.25Å; L148-F153 HydrophobicContact CD2-CB 4.44Å; L148-F153 HydrophobicContact CD2-CD2 3.81Å; L148-F153 HydrophobicContact CD2-CE2 4.27Å; L148-F153 HydrophobicContact CD2-CG 4.14Å; L148-F153 WeakPolarHBondContact O-CB 3.39Å; L148-F153 PolarHBondContact O-N 3.38Å
149L75.5Confident66.8Low18 Ų1894.7 Ų94.79%0.09450%0.504CS..Hα-helixtrans-68.9-34.3178.3-69.6164.7000112.9K99 V145 E146 I147 G152 F153K99-L149 HydrophobicContact CB-CD2 3.94Å; K99-L149 HydrophobicContact CD-CD1 4.41Å; K99-L149 HydrophobicContact CD-CD2 3.85Å; K99-L149 HydrophobicContact CG-CD1 4.13Å; K99-L149 HydrophobicContact CG-CD2 3.73Å; V145-L149 HydrophobicContact CG1-CD1 3.78Å; V145-L149 HydrophobicContact CG1-CG 4.36Å; V145-L149 WeakPolarHBondContact O-CB 3.09Å; V145-L149 WeakPolarHBondContact O-CD1 3.22Å; V145-L149 WeakPolarHBondContact O-CG 3.46Å; V145-L149 PolarHBondContact O-N 2.9Å; E146-L149 PolarHBondContact O-N 3.06Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.44Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.92Å; L149-G152 PolarHBondContact O-N 2.94Å; L149-F153 WeakPolarHBondContact CD2-O 3.2Å
150D75.6Confident66.6Low138 Ų13894.1 Ų94.174%0.73851%0.506SS*.Hα-helixtrans-77-29.1173.7-83.5-3.7000112.4E146 I147 G152E146-D150 WeakPolarHBondContact O-CB 3.35Å; E146-D150 PolarHBondContact O-N 3.48Å; I147-D150 PolarHBondContact O-N 3.36Å; D150-G152 PolarHBondContact O-N 3.45Å
151L74.9Confident66.5Low121 Ų12189.1 Ų89.163%0.63450%0.497SS*.THydrogen-bonded Turntrans-73.3-0.6166-69.3174000113.3I147 L148 F153I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.41Å; I147-L151 WeakPolarHBondContact O-CB 3.38Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.18Å; L148-L151 CarbonylContact O-C 3.25Å; L148-L151 PolarHBondContact O-N 2.95Å; L151-F153 HydrophobicContact CB-CD2 3.84Å; L151-F153 HydrophobicContact CB-CE2 3.96Å
152G65.9Low66.4Low45 Ų4589.3 Ų89.346%0.46450%0.499SS..THydrogen-bonded Turntrans87.52.4174.100000115.9L148 L149 D150L148-G152 PolarHBondContact O-N 3.43Å; L149-G152 PolarHBondContact O-N 2.94Å; D150-G152 PolarHBondContact O-N 3.45Å
153F61.7Low66.2Low132 Ų13290.9 Ų90.958%0.57950%0.504SS*.THydrogen-bonded Turntrans-71.6133.3173.5-64.2-91.9000110.1L148 L149 L151 A155L148-F153 HydrophobicContact CB-CB 4.25Å; L148-F153 HydrophobicContact CD2-CB 4.44Å; L148-F153 HydrophobicContact CD2-CD2 3.81Å; L148-F153 HydrophobicContact CD2-CE2 4.27Å; L148-F153 HydrophobicContact CD2-CG 4.14Å; L148-F153 WeakPolarHBondContact O-CB 3.39Å; L148-F153 PolarHBondContact O-N 3.38Å; L149-F153 WeakPolarHBondContact CD2-O 3.2Å; L151-F153 HydrophobicContact CB-CD2 3.84Å; L151-F153 HydrophobicContact CB-CE2 3.96Å; F153-A155 VanDerWaalsContact C-N 3.3Å; F153-A155 PolarHBondContact O-N 2.95Å
154G63.3Low66Low33 Ų3391.4 Ų91.434%0.3451%0.506SS..THydrogen-bonded Turntrans78.49.5-178.900000114.9
155A64.3Low66.2Low72 Ų7289.9 Ų89.960%0.59550%0.497SS*.SBendtrans-70.9139.4155.600000109.5F153 E157F153-A155 VanDerWaalsContact C-N 3.3Å; F153-A155 PolarHBondContact O-N 2.95Å; A155-E157 PolarHBondContact O-N 2.76Å
156D63.4Low65.8Low97 Ų9792.5 Ų92.552%0.51952%0.521SS..PPolyproline II helixtrans-67.2120.7177-60.8-56.2000109.7
157E61.6Low65.5Low174 Ų17497.5 Ų97.581%0.81354%0.537SS*.PPolyproline II helixtrans-63.9128.8-178.2-170.3175.2-173.900110A155 D159A155-E157 PolarHBondContact O-N 2.76Å; E157-D159 PolarHBondContact O-N 2.8Å; E157-D159 VanDerWaalsContact O-N 3.11Å
158P62.2Low64.8Low84 Ų84100.1 Ų100.155%0.54555%0.546SS..PPolyproline II helixtrans-66117.7-174.425.6-34.1000110.6I160P158-I160 PolarHBondContact O-N 2.93Å
159D59.1Low64.5Low115 Ų115101.7 Ų101.762%0.61555%0.554SS**  trans-41.4133.5-176-154.7-12.2000112.4E157 C161 M162E157-D159 PolarHBondContact O-N 2.8Å; E157-D159 VanDerWaalsContact O-N 3.11Å; D159-C161 PolarHBondContact O-N 2.78Å; D159-M162 WeakPolarHBondContact O-CA 3.49Å; D159-M162 WeakPolarHBondContact O-CB 3.36Å; D159-M162 PolarHBondContact O-N 2.75Å
160I58.9Low63.9Low120 Ų120104.1 Ų104.162%0.61558%0.584SS**Hα-helixtrans-56.1-27.4-169.350.1172.5000113.2P158 M162 Q163 I164P158-I160 PolarHBondContact O-N 2.93Å; I160-M162 VanDerWaalsContact C-N 3.28Å; I160-M162 PolarHBondContact O-N 2.63Å; I160-Q163 PolarHBondContact O-N 3.13Å; I160-I164 WeakPolarHBondContact O-CG1 3.32Å; I160-I164 PolarHBondContact O-N 3.25Å; I160-I164 VanDerWaalsContact O-N 3.15Å
161C55Low63.3Low71 Ų71101.7 Ų101.748%0.4858%0.576SS.*Hα-helixtrans-65.5-24.2173.9-65.30000114.2D159D159-C161 PolarHBondContact O-N 2.78Å
162M60.6Low62.7Low159 Ų15999.8 Ų99.878%0.78359%0.586SS**Hα-helixtrans-81.6-28.1173.2-65.6-64.2-68.200112.4D159 I160D159-M162 WeakPolarHBondContact O-CA 3.49Å; D159-M162 WeakPolarHBondContact O-CB 3.36Å; D159-M162 PolarHBondContact O-N 2.75Å; I160-M162 VanDerWaalsContact C-N 3.28Å; I160-M162 PolarHBondContact O-N 2.63Å
163Q60.6Low62.8Low143 Ų143102.6 Ų102.667%0.66860%0.598SS**Hα-helixtrans-71.7-33171.6-108.4-171.330.200112.2I160 P165I160-Q163 PolarHBondContact O-N 3.13Å; Q163-P165 WeakPolarHBondContact O-CD 3.41Å
164I66.2Low63Low69 Ų69101.4 Ų101.435%0.35461%0.613SS.*SBendtrans-73.2115177.4-66.6165.5000109.6I160 A166 F168 L169I160-I164 WeakPolarHBondContact O-CG1 3.32Å; I160-I164 PolarHBondContact O-N 3.25Å; I160-I164 VanDerWaalsContact O-N 3.15Å; I164-A166 PolarHBondContact O-N 2.83Å; I164-F168 HydrophobicContact CG2-CB 3.84Å; I164-F168 HydrophobicContact CG2-CD2 4.19Å; I164-F168 HydrophobicContact CG2-CG 4.46Å; I164-L169 HydrophobicContact CG2-CD2 4.38Å; I164-L169 HydrophobicContact CG2-CG 4.21Å
165P70.7Confident63Low56 Ų56103.4 Ų103.436%0.36463%0.626SS.*  trans-62.6130.7-179.8-25.136.5000111.6Q163 R167 F168Q163-P165 WeakPolarHBondContact O-CD 3.41Å; P165-R167 HydrophobicContact CB-CG 4.24Å; P165-R167 PolarHBondContact O-N 3.36Å; P165-F168 HydrophobicContact CB-CD2 4.38Å; P165-F168 HydrophobicContact CG-CE2 4.4Å; P165-F168 WeakPolarHBondContact O-CD2 3.5Å; P165-F168 PolarHBondContact O-N 2.9Å
166A61.2Low63.2Low76 Ų76112 Ų11263%0.62864%0.643SS**G310 helixtrans-50.3-22.5-169.500000116.2I164 F168 L169 G170I164-A166 PolarHBondContact O-N 2.83Å; A166-F168 PolarHBondContact O-N 2.86Å; A166-F168 VanDerWaalsContact O-N 3.14Å; A166-L169 PolarHBondContact O-N 2.79Å; A166-G170 PolarHBondContact O-N 3.38Å
167R65.6Low63.5Low169 Ų169110.4 Ų110.464%0.63865%0.65SS**G310 helixtrans-53.6-25.3170.169-176.8-178.6-110.81.1114.6P165P165-R167 HydrophobicContact CB-CG 4.24Å; P165-R167 PolarHBondContact O-N 3.36Å
168F60.6Low64.2Low130 Ų130108.3 Ų108.357%0.5764%0.643SS**G310 helixtrans-88.4-12.7177.2-64.2-69000113.5I164 P165 A166I164-F168 HydrophobicContact CG2-CB 3.84Å; I164-F168 HydrophobicContact CG2-CD2 4.19Å; I164-F168 HydrophobicContact CG2-CG 4.46Å; P165-F168 HydrophobicContact CB-CD2 4.38Å; P165-F168 HydrophobicContact CG-CE2 4.4Å; P165-F168 WeakPolarHBondContact O-CD2 3.5Å; P165-F168 PolarHBondContact O-N 2.9Å; A166-F168 PolarHBondContact O-N 2.86Å; A166-F168 VanDerWaalsContact O-N 3.14Å
169L66.7Low65.1Low113 Ų113109 Ų10959%0.59264%0.642SS**THydrogen-bonded Turntrans-104.5-33178.7-58.4176.6000111.6I164 A166I164-L169 HydrophobicContact CG2-CD2 4.38Å; I164-L169 HydrophobicContact CG2-CG 4.21Å; A166-L169 PolarHBondContact O-N 2.79Å
170G63.2Low66.2Low70 Ų70109.2 Ų109.272%0.72264%0.641SS**SBendtrans-83.3-6.3178.500000115.6A166A166-G170 PolarHBondContact O-N 3.38Å
171C64.6Low67.2Low87 Ų87113.5 Ų113.559%0.58865%0.65SS**SBendtrans-125.2121.9179.6-68.80000110.2S173C171-S173 PolarHBondContact O-N 3.02Å
172G62.3Low68.5Low81 Ų81113.4 Ų113.484%0.83565%0.647SS**  trans-59.5129.5173.200000111.1A174G172-A174 PolarHBondContact O-N 3.36Å
173S67.8Low69.7Low103 Ų103110.4 Ų110.472%0.7263%0.63SS**  trans-66.6125.6-175.6-174.10000111.7C171 A175C171-S173 PolarHBondContact O-N 3.02Å; S173-A175 PolarHBondContact O-N 3.11Å; S173-A175 WeakPolarHBondContact OG-CB 3.21Å; S173-A175 PolarHBondContact OG-N 2.98Å
174A64.2Low71Confident107 Ų107108.5 Ų108.588%0.88462%0.624SS**  trans-78.9-2170.800000113.2G172 R176G172-A174 PolarHBondContact O-N 3.36Å; A174-R176 PolarHBondContact O-N 2.85Å
175A64.8Low71.7Confident75 Ų75110.8 Ų110.862%0.6263%0.633SS**  trans-69.5118.4177.900000110.3S173 G177S173-A175 PolarHBondContact O-N 3.11Å; S173-A175 WeakPolarHBondContact OG-CB 3.21Å; S173-A175 PolarHBondContact OG-N 2.98Å; A175-G177 PolarHBondContact O-N 3.25Å
176R68.8Low72.5Confident254 Ų254110.3 Ų110.396%0.95863%0.633SS**  trans-76.330.6-172.8-147.3177.6-172.2-142.63.3114.1A174A174-R176 PolarHBondContact O-N 2.85Å
177G68.8Low73.4Confident63 Ų63110.3 Ų110.365%0.64962%0.62SS**  trans78166.5-165.800000113.4A175A175-G177 PolarHBondContact O-N 3.25Å
178I76.1Confident74.1Confident130 Ų130108 Ų10867%0.66762%0.615SS**  trans-88.6128.3168.6-61.9174.2000107.5I180 F183I178-I180 PolarHBondContact O-N 3.41Å; I178-F183 HydrophobicContact CG2-CB 3.73Å; I178-F183 HydrophobicContact CG2-CD2 4.31Å; I178-F183 HydrophobicContact CG2-CG 4.13Å
179N80.8Confident74.8Confident99 Ų99107 Ų10753%0.52961%0.612SS.*  trans-71.499.9168.6-176.6-19.5000108.8R181 V182 F183N179-R181 PolarHBondContact O-N 3.42Å; N179-R181 PolarHBondContact OD1-N 2.98Å; N179-V182 HydrophobicContact CB-CB 4.26Å; N179-V182 HydrophobicContact CB-CG2 4.25Å; N179-V182 PolarHBondContact O-N 2.95Å; N179-F183 PolarHBondContact O-N 3.39Å
180I82.9Confident75.4Confident118 Ų118107.6 Ų107.661%0.60561%0.607SS**Hα-helixtrans-57-34-174-60.3172.5000111.8I178 F183 L184I178-I180 PolarHBondContact O-N 3.41Å; I180-F183 PolarHBondContact O-N 3.4Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.12Å; I180-L184 WeakPolarHBondContact O-CB 2.92Å; I180-L184 VanDerWaalsContact O-CG 3.26Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 2.94Å
181R79.9Confident76Confident211 Ų211109.2 Ų109.280%0.79660%0.597SS**Hα-helixtrans-64.4-53178-54.9-175.9-158.6-103.42.4110.8N179 F183 L184 E185N179-R181 PolarHBondContact O-N 3.42Å; N179-R181 PolarHBondContact OD1-N 2.98Å; R181-F183 VanDerWaalsContact C-N 3.3Å; R181-F183 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 2.97Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.39Å; R181-E185 PolarHBondContact O-N 3.34Å
182V82.1Confident76.2Confident69 Ų69107.9 Ų107.942%0.41858%0.584SS.*Hα-helixtrans-63.6-36.7179.1178.30000111.2N179 A186N179-V182 HydrophobicContact CB-CB 4.26Å; N179-V182 HydrophobicContact CB-CG2 4.25Å; N179-V182 PolarHBondContact O-N 2.95Å; V182-A186 VanDerWaalsContact O-CB 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 3.28Å
183F85.9Confident76.7Confident95 Ų95110.5 Ų110.542%0.41758%0.577SS.*Hα-helixtrans-64.6-50.1174.1175.4-96.8000112.2I178 N179 I180 R181 E185 A186 Q187I178-F183 HydrophobicContact CG2-CB 3.73Å; I178-F183 HydrophobicContact CG2-CD2 4.31Å; I178-F183 HydrophobicContact CG2-CG 4.13Å; N179-F183 PolarHBondContact O-N 3.39Å; I180-F183 PolarHBondContact O-N 3.4Å; R181-F183 VanDerWaalsContact C-N 3.3Å; R181-F183 PolarHBondContact O-N 3.49Å; F183-E185 VanDerWaalsContact C-N 3.33Å; F183-E185 PolarHBondContact O-N 3.2Å; F183-A186 PolarHBondContact O-N 3.01Å; F183-Q187 HydrophobicContact CD1-CG 4.25Å; F183-Q187 HydrophobicContact CD2-CG 4.4Å; F183-Q187 HydrophobicContact CE1-CG 3.91Å; F183-Q187 HydrophobicContact CE2-CG 4.07Å; F183-Q187 HydrophobicContact CG-CG 4.49Å; F183-Q187 HydrophobicContact CZ-CG 3.82Å; F183-Q187 WeakPolarHBondContact O-CB 3.37Å; F183-Q187 VanDerWaalsContact O-CG 3.25Å; F183-Q187 WeakPolarHBondContact O-CG 3.43Å; F183-Q187 PolarHBondContact O-N 2.91Å
184L88.4Confident76.9Confident104 Ų104111.6 Ų111.655%0.54557%0.571SS.*Hα-helixtrans-65.2-36.5178.9-71174.3000112I180 R181 Q187 K188I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.12Å; I180-L184 WeakPolarHBondContact O-CB 2.92Å; I180-L184 VanDerWaalsContact O-CG 3.26Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 2.94Å; R181-L184 PolarHBondContact O-N 2.97Å; L184-Q187 PolarHBondContact O-N 3.06Å; L184-K188 WeakPolarHBondContact O-CB 3.42Å; L184-K188 PolarHBondContact O-N 2.89Å
185E81.3Confident76.6Confident117 Ų117110.1 Ų110.155%0.54755%0.548SS..Hα-helixtrans-66.8-44175.2-175.1165.8-153.500111.8R181 F183 K188 Q189R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.39Å; R181-E185 PolarHBondContact O-N 3.34Å; F183-E185 VanDerWaalsContact C-N 3.33Å; F183-E185 PolarHBondContact O-N 3.2Å; E185-K188 PolarHBondContact O-N 3.33Å; E185-Q189 WeakPolarHBondContact O-CG 3.45Å; E185-Q189 PolarHBondContact O-N 3.48Å
186A85.7Confident76.6Confident45 Ų45111 Ų11137%0.37255%0.547SS..Hα-helixtrans-66.2-35.8174.100000112.8V182 F183 R190V182-A186 VanDerWaalsContact O-CB 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 3.28Å; F183-A186 PolarHBondContact O-N 3.01Å; A186-R190 VanDerWaalsContact O-CB 3.26Å; A186-R190 WeakPolarHBondContact O-CB 3.39Å; A186-R190 PolarHBondContact O-N 2.93Å
187Q81.9Confident76.3Confident76 Ų76102.9 Ų102.936%0.35552%0.523SS..Hα-helixtrans-69.6-37.5173.4-68.9-67.515.700111.8F183 L184 R190 M191F183-Q187 HydrophobicContact CD1-CG 4.25Å; F183-Q187 HydrophobicContact CD2-CG 4.4Å; F183-Q187 HydrophobicContact CE1-CG 3.91Å; F183-Q187 HydrophobicContact CE2-CG 4.07Å; F183-Q187 HydrophobicContact CG-CG 4.49Å; F183-Q187 HydrophobicContact CZ-CG 3.82Å; F183-Q187 WeakPolarHBondContact O-CB 3.37Å; F183-Q187 VanDerWaalsContact O-CG 3.25Å; F183-Q187 WeakPolarHBondContact O-CG 3.43Å; F183-Q187 PolarHBondContact O-N 2.91Å; L184-Q187 PolarHBondContact O-N 3.06Å; Q187-R190 PolarHBondContact O-N 2.87Å; Q187-M191 VanDerWaalsContact O-CB 3.31Å; Q187-M191 WeakPolarHBondContact O-CB 3.5Å; Q187-M191 PolarHBondContact O-N 3.11Å
188K80.4Confident76Confident121 Ų121102.7 Ų102.753%0.52651%0.507SS..Hα-helixtrans-62.4-52.5172.4-172.9-163.9168.2-169.40110.7L184 E185 R190 M191 D192L184-K188 WeakPolarHBondContact O-CB 3.42Å; L184-K188 PolarHBondContact O-N 2.89Å; E185-K188 PolarHBondContact O-N 3.33Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 2.97Å; K188-M191 CarbonylContact O-C 3.52Å; K188-M191 PolarHBondContact O-N 3.11Å; K188-M191 VanDerWaalsContact O-N 3.08Å; K188-D192 WeakPolarHBondContact CE-OD2 3.48Å; K188-D192 WeakPolarHBondContact O-CB 3.35Å; K188-D192 VanDerWaalsContact O-CG 3.26Å; K188-D192 PolarHBondContact O-N 3.3Å
189Q75.3Confident75.4Confident109 Ų109102.4 Ų102.451%0.50950%0.498SS..Hα-helixtrans-58-41.2177.6-71.8176.98.700111.8E185 D192 I193E185-Q189 WeakPolarHBondContact O-CG 3.45Å; E185-Q189 PolarHBondContact O-N 3.48Å; Q189-D192 PolarHBondContact O-N 3.47Å; Q189-I193 WeakPolarHBondContact O-CB 2.96Å; Q189-I193 WeakPolarHBondContact O-CD1 3.48Å; Q189-I193 WeakPolarHBondContact O-CG1 3.39Å; Q189-I193 PolarHBondContact O-N 2.95Å
190R77.8Confident74.6Confident126 Ų12699 Ų9948%0.47549%0.486SS..Hα-helixtrans-60.1-48.3173.1176.9172.9-79.41180.8111.6A186 Q187 K188 D192 I193 E194A186-R190 VanDerWaalsContact O-CB 3.26Å; A186-R190 WeakPolarHBondContact O-CB 3.39Å; A186-R190 PolarHBondContact O-N 2.93Å; Q187-R190 PolarHBondContact O-N 2.87Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 2.97Å; R190-D192 PolarHBondContact O-N 2.98Å; R190-I193 PolarHBondContact O-N 2.85Å; R190-E194 VanDerWaalsContact CD-OE1 3.26Å; R190-E194 WeakPolarHBondContact CD-OE1 3.23Å; R190-E194 HydrophobicContact CG-CG 4.07Å; R190-E194 WeakPolarHBondContact CG-OE1 3.2Å; R190-E194 VanDerWaalsContact CG-OE2 3.29Å; R190-E194 WeakPolarHBondContact CG-OE2 3.31Å; R190-E194 IonicContact NE-OE1 2.64Å; R190-E194 PolarHBondContact NE-OE1 2.95Å; R190-E194 VanDerWaalsContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CG 3.49Å; R190-E194 PolarHBondContact O-N 3.47Å
191M76.1Confident73.9Confident104 Ų10499 Ų9951%0.51248%0.479SS..Hα-helixtrans-63.7-39178.5-178172.861.200112.6Q187 K188 I193 N195Q187-M191 VanDerWaalsContact O-CB 3.31Å; Q187-M191 WeakPolarHBondContact O-CB 3.5Å; Q187-M191 PolarHBondContact O-N 3.11Å; K188-M191 CarbonylContact O-C 3.52Å; K188-M191 PolarHBondContact O-N 3.11Å; K188-M191 VanDerWaalsContact O-N 3.08Å; M191-I193 VanDerWaalsContact C-N 3.29Å; M191-I193 PolarHBondContact O-N 3.31Å; M191-N195 WeakPolarHBondContact O-CA 3.29Å; M191-N195 WeakPolarHBondContact O-CB 3.5Å; M191-N195 PolarHBondContact O-N 2.75Å
192D68.6Low73.4Confident59 Ų5995.3 Ų95.332%0.31647%0.469SS..Hα-helixtrans-65.6-31.9176.3-67.4-24.7000111.6K188 Q189 R190K188-D192 WeakPolarHBondContact CE-OD2 3.48Å; K188-D192 WeakPolarHBondContact O-CB 3.35Å; K188-D192 VanDerWaalsContact O-CG 3.26Å; K188-D192 PolarHBondContact O-N 3.3Å; Q189-D192 PolarHBondContact O-N 3.47Å; R190-D192 PolarHBondContact O-N 2.98Å
193I72.4Confident73Confident135 Ų13597.6 Ų97.669%0.69247%0.47SS*.Hα-helixtrans-84-40.7177.7-68.2165.8000112.3Q189 R190 M191Q189-I193 WeakPolarHBondContact O-CB 2.96Å; Q189-I193 WeakPolarHBondContact O-CD1 3.48Å; Q189-I193 WeakPolarHBondContact O-CG1 3.39Å; Q189-I193 PolarHBondContact O-N 2.95Å; R190-I193 PolarHBondContact O-N 2.85Å; M191-I193 VanDerWaalsContact C-N 3.29Å; M191-I193 PolarHBondContact O-N 3.31Å
194E73.7Confident72.5Confident127 Ų12799 Ų9959%0.59348%0.478SS*.Hα-helixtrans-82.5-22.3-177.8-69.6173.7-17800112.4R190R190-E194 VanDerWaalsContact CD-OE1 3.26Å; R190-E194 WeakPolarHBondContact CD-OE1 3.23Å; R190-E194 HydrophobicContact CG-CG 4.07Å; R190-E194 WeakPolarHBondContact CG-OE1 3.2Å; R190-E194 VanDerWaalsContact CG-OE2 3.29Å; R190-E194 WeakPolarHBondContact CG-OE2 3.31Å; R190-E194 IonicContact NE-OE1 2.64Å; R190-E194 PolarHBondContact NE-OE1 2.95Å; R190-E194 VanDerWaalsContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CG 3.49Å; R190-E194 PolarHBondContact O-N 3.47Å
195N57.9Low72.3Confident75 Ų7599 Ų9940%0.40148%0.477SS..  trans-133.162.5177.1-82.9-90.4000112.9M191 N197 L198M191-N195 WeakPolarHBondContact O-CA 3.29Å; M191-N195 WeakPolarHBondContact O-CB 3.5Å; M191-N195 PolarHBondContact O-N 2.75Å; N195-N197 PolarHBondContact O-N 2.69Å; N195-L198 HydrophobicContact CB-CB 4.17Å; N195-L198 HydrophobicContact CB-CD1 3.72Å; N195-L198 HydrophobicContact CB-CG 3.98Å; N195-L198 PolarHBondContact O-N 2.78Å
196P63.3Low72.2Confident94 Ų9498.7 Ų98.761%0.6148%0.476SS*.Hα-helixtrans-58-26.8-179.923.9-34.6000113.3G200P196-G200 PolarHBondContact O-N 2.9Å
197N62.6Low72.2Confident84 Ų84101.6 Ų101.645%0.44949%0.485SS..Hα-helixtrans-81.3-10.9178.6-159.2-6.6000113.7N195 R201N195-N197 PolarHBondContact O-N 2.69Å; N197-R201 WeakPolarHBondContact O-CB 3.18Å; N197-R201 WeakPolarHBondContact O-CG 3.49Å; N197-R201 PolarHBondContact O-N 3.13Å; N197-R201 PolarHBondContact O-NE 2.73Å
198L62.6Low72.5Confident59 Ų59102.8 Ų102.831%0.30949%0.493SS..Hα-helixtrans-76.3-49.5172.2-78.2177.4000111.2N195 G200 R201 F202N195-L198 HydrophobicContact CB-CB 4.17Å; N195-L198 HydrophobicContact CB-CD1 3.72Å; N195-L198 HydrophobicContact CB-CG 3.98Å; N195-L198 PolarHBondContact O-N 2.78Å; L198-G200 VanDerWaalsContact C-N 3.27Å; L198-G200 PolarHBondContact O-N 2.98Å; L198-R201 PolarHBondContact O-N 2.72Å; L198-R201 VanDerWaalsContact O-N 3.15Å; L198-F202 VanDerWaalsContact O-CD2 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.46Å; L198-F202 PolarHBondContact O-N 2.68Å
199Y63.3Low72.8Confident124 Ų124100.9 Ų100.949%0.48649%0.488SS..Hα-helixtrans-63.4-34.7177.1-176.1-120.2000112.1R203Y199-R203 VanDerWaalsContact CE1-CZ 3.46Å; Y199-R203 HydrophobicContact CE2-CG 4.2Å; Y199-R203 PolarHBondContact O-N 3.33Å; Y199-R203 VanDerWaalsContact O-N 3.08Å; Y199-R203 PolarHBondContact OH-NH1 2.82Å; Y199-R203 VanDerWaalsContact OH-NH1 3.15Å
200G65.3Low73.3Confident27 Ų27101.6 Ų101.628%0.27849%0.491SS..Hα-helixtrans-56.5-53.2168.500000112.8P196 L198 R203 Q204P196-G200 PolarHBondContact O-N 2.9Å; L198-G200 VanDerWaalsContact C-N 3.27Å; L198-G200 PolarHBondContact O-N 2.98Å; G200-R203 PolarHBondContact O-N 3.01Å; G200-Q204 WeakPolarHBondContact O-CG 3.4Å; G200-Q204 PolarHBondContact O-N 3.11Å
201R67.8Low73.9Confident117 Ų11798.6 Ų98.644%0.44249%0.487SS..Hα-helixtrans-66.5-35.4180-75.6178.4-68.9-179.71.3113.9N197 L198 Q204 L205N197-R201 WeakPolarHBondContact O-CB 3.18Å; N197-R201 WeakPolarHBondContact O-CG 3.49Å; N197-R201 PolarHBondContact O-N 3.13Å; N197-R201 PolarHBondContact O-NE 2.73Å; L198-R201 PolarHBondContact O-N 2.72Å; L198-R201 VanDerWaalsContact O-N 3.15Å; R201-Q204 PolarHBondContact O-N 3.22Å; R201-L205 WeakPolarHBondContact O-CG 3.31Å; R201-L205 PolarHBondContact O-N 2.91Å
202F68.5Low74.3Confident134 Ų13497 Ų9759%0.58848%0.483SS*.Hα-helixtrans-66-38.4173-79.2-64.3000112.3L198 L205 E206L198-F202 VanDerWaalsContact O-CD2 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.46Å; L198-F202 PolarHBondContact O-N 2.68Å; F202-L205 HydrophobicContact CD1-CD1 4.36Å; F202-L205 PolarHBondContact O-N 3.02Å; F202-E206 WeakPolarHBondContact O-CB 3.45Å; F202-E206 PolarHBondContact O-N 3.02Å
203R73.8Confident75Confident117 Ų11798.3 Ų98.344%0.44249%0.49SS..Hα-helixtrans-70.6-32171.4-71.3-158.4-59.8-153.65113.3Y199 G200 L205 E206 I207Y199-R203 VanDerWaalsContact CE1-CZ 3.46Å; Y199-R203 HydrophobicContact CE2-CG 4.2Å; Y199-R203 PolarHBondContact O-N 3.33Å; Y199-R203 VanDerWaalsContact O-N 3.08Å; Y199-R203 PolarHBondContact OH-NH1 2.82Å; Y199-R203 VanDerWaalsContact OH-NH1 3.15Å; G200-R203 PolarHBondContact O-N 3.01Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-E206 PolarHBondContact O-N 3.28Å; R203-I207 WeakPolarHBondContact O-CB 3.25Å; R203-I207 WeakPolarHBondContact O-CD1 3.32Å; R203-I207 WeakPolarHBondContact O-CG1 3.45Å; R203-I207 PolarHBondContact O-N 2.85Å
204Q76.8Confident75.5Confident125 Ų12594.3 Ų94.358%0.58448%0.477SS*.Hα-helixtrans-63-39.6170.9-73.1167.7-28.200111.4G200 R201 L208G200-Q204 WeakPolarHBondContact O-CG 3.4Å; G200-Q204 PolarHBondContact O-N 3.11Å; R201-Q204 PolarHBondContact O-N 3.22Å; Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 PolarHBondContact O-N 3.47Å
205L82.6Confident75.9Confident103 Ų10394.9 Ų94.954%0.53948%0.478SS..Hα-helixtrans-66.9-42.2172.8-75.5163.4000112.6R201 F202 R203 L208 D209R201-L205 WeakPolarHBondContact O-CG 3.31Å; R201-L205 PolarHBondContact O-N 2.91Å; F202-L205 HydrophobicContact CD1-CD1 4.36Å; F202-L205 PolarHBondContact O-N 3.02Å; R203-L205 VanDerWaalsContact C-N 3.32Å; L205-L208 PolarHBondContact O-N 3.07Å; L205-D209 WeakPolarHBondContact O-CB 3.47Å; L205-D209 PolarHBondContact O-N 3.28Å
206E80.3Confident76.9Confident112 Ų11294.4 Ų94.452%0.52348%0.48SS..Hα-helixtrans-62.8-42.1176.1-175.2174.9-144.400111.9F202 R203 H210F202-E206 WeakPolarHBondContact O-CB 3.45Å; F202-E206 PolarHBondContact O-N 3.02Å; R203-E206 PolarHBondContact O-N 3.28Å; E206-H210 PolarHBondContact O-N 2.97Å; E206-H210 PolarHBondContact O-ND1 3.34Å
207I85.9Confident77.6Confident106 Ų10692.9 Ų92.954%0.54447%0.472SS..Hα-helixtrans-66.3-43.1173.1-69163.7000110.6R203 D209 H210 V211R203-I207 WeakPolarHBondContact O-CB 3.25Å; R203-I207 WeakPolarHBondContact O-CD1 3.32Å; R203-I207 WeakPolarHBondContact O-CG1 3.45Å; R203-I207 PolarHBondContact O-N 2.85Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 2.85Å; I207-H210 PolarHBondContact O-N 3.46Å; I207-V211 HydrophobicContact CG2-CG2 4.27Å; I207-V211 WeakPolarHBondContact O-CB 3.34Å; I207-V211 VanDerWaalsContact O-CG2 3.26Å; I207-V211 WeakPolarHBondContact O-CG2 3.23Å; I207-V211 PolarHBondContact O-N 3.25Å
208L88Confident78.3Confident100 Ų10093.8 Ų93.852%0.52448%0.476SS..Hα-helixtrans-64.5-37.2178.3-178.862.4000111.8Q204 L205 T212Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 PolarHBondContact O-N 3.47Å; L205-L208 PolarHBondContact O-N 3.07Å; L208-T212 WeakPolarHBondContact O-CB 3.41Å; L208-T212 PolarHBondContact O-N 3.08Å; L208-T212 PolarHBondContact O-OG1 3.03Å
209D86.8Confident78.8Confident82 Ų8296.9 Ų96.944%0.43949%0.493SS..Hα-helixtrans-64.1-49.3171.3173.381.2000111.2L205 I207 V211 T212 N213L205-D209 WeakPolarHBondContact O-CB 3.47Å; L205-D209 PolarHBondContact O-N 3.28Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 2.85Å; D209-V211 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 2.88Å; D209-T212 PolarHBondContact O-N 2.61Å; D209-T212 VanDerWaalsContact O-N 3.13Å; D209-N213 WeakPolarHBondContact O-CB 3.35Å; D209-N213 PolarHBondContact O-N 3.14Å; D209-N213 PolarHBondContact O-ND2 3.07Å; D209-N213 VanDerWaalsContact O-ND2 3.07Å; D209-N213 PolarHBondContact OD1-ND2 3.24Å; D209-N213 PolarHBondContact OD2-ND2 3.06Å
210H85.2Confident79Confident124 Ų12493.5 Ų93.557%0.57449%0.487SS*.Hα-helixtrans-58.6-42.1176.7-80.466000112.3E206 I207 A214E206-H210 PolarHBondContact O-N 2.97Å; E206-H210 PolarHBondContact O-ND1 3.34Å; I207-H210 PolarHBondContact O-N 3.46Å; H210-A214 VanDerWaalsContact O-CB 3.31Å; H210-A214 WeakPolarHBondContact O-CB 3.46Å; H210-A214 PolarHBondContact O-N 3.26Å
211V89.6Confident79Confident63 Ų6396.6 Ų96.638%0.38250%0.497SS..Hα-helixtrans-66.4-42175.6167.20000111I207 D209 A214 F215I207-V211 HydrophobicContact CG2-CG2 4.27Å; I207-V211 WeakPolarHBondContact O-CB 3.34Å; I207-V211 VanDerWaalsContact O-CG2 3.26Å; I207-V211 WeakPolarHBondContact O-CG2 3.23Å; I207-V211 PolarHBondContact O-N 3.25Å; D209-V211 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 2.88Å; V211-A214 PolarHBondContact O-N 2.95Å; V211-F215 HydrophobicContact CG1-CD2 3.58Å; V211-F215 HydrophobicContact CG1-CE2 3.47Å; V211-F215 VanDerWaalsContact CG1-CE2 3.47Å; V211-F215 WeakPolarHBondContact O-CB 3.21Å; V211-F215 VanDerWaalsContact O-CD2 3.23Å; V211-F215 WeakPolarHBondContact O-CD2 3.15Å; V211-F215 PolarHBondContact O-N 2.74Å
212T85.8Confident78.9Confident69 Ų6995.7 Ų95.742%0.42350%0.504SS..Hα-helixtrans-64.9-40.9177.2-59.70000111.6L208 D209 S216L208-T212 WeakPolarHBondContact O-CB 3.41Å; L208-T212 PolarHBondContact O-N 3.08Å; L208-T212 PolarHBondContact O-OG1 3.03Å; D209-T212 PolarHBondContact O-N 2.61Å; D209-T212 VanDerWaalsContact O-N 3.13Å; T212-S216 VanDerWaalsContact O-CB 3.31Å; T212-S216 WeakPolarHBondContact O-CB 3.26Å; T212-S216 PolarHBondContact O-N 2.89Å; T212-S216 PolarHBondContact O-OG 3.04Å
213N83.9Confident78.3Confident87 Ų8792.3 Ų92.347%0.46550%0.497SS..Hα-helixtrans-69.1-38.6176.1-74-44.3000111.5D209 S216 S217D209-N213 WeakPolarHBondContact O-CB 3.35Å; D209-N213 PolarHBondContact O-N 3.14Å; D209-N213 PolarHBondContact O-ND2 3.07Å; D209-N213 VanDerWaalsContact O-ND2 3.07Å; D209-N213 PolarHBondContact OD1-ND2 3.24Å; D209-N213 PolarHBondContact OD2-ND2 3.06Å; N213-S216 PolarHBondContact O-N 3.42Å; N213-S217 PolarHBondContact O-N 3.29Å
214A81.9Confident77.4Confident51 Ų5190.7 Ų90.742%0.42150%0.497SS..Hα-helixtrans-63.9-47.3172.200000112.1H210 V211 S216 S217 L218H210-A214 VanDerWaalsContact O-CB 3.31Å; H210-A214 WeakPolarHBondContact O-CB 3.46Å; H210-A214 PolarHBondContact O-N 3.26Å; V211-A214 PolarHBondContact O-N 2.95Å; A214-S216 VanDerWaalsContact C-N 3.31Å; A214-S216 PolarHBondContact O-N 3.42Å; A214-S217 WeakPolarHBondContact O-CB 3.35Å; A214-S217 PolarHBondContact O-N 3.07Å; A214-L218 WeakPolarHBondContact O-CG 3.24Å; A214-L218 PolarHBondContact O-N 3Å
215F81.9Confident76.3Confident139 Ų13991 Ų9161%0.6150%0.502SS*.Hα-helixtrans-62.5-36.8173.9-81.5-57.5000112.4V211 L218 L219V211-F215 HydrophobicContact CG1-CD2 3.58Å; V211-F215 HydrophobicContact CG1-CE2 3.47Å; V211-F215 VanDerWaalsContact CG1-CE2 3.47Å; V211-F215 WeakPolarHBondContact O-CB 3.21Å; V211-F215 VanDerWaalsContact O-CD2 3.23Å; V211-F215 WeakPolarHBondContact O-CD2 3.15Å; V211-F215 PolarHBondContact O-N 2.74Å; F215-L218 PolarHBondContact O-N 2.81Å; F215-L219 WeakPolarHBondContact O-CB 3.38Å; F215-L219 PolarHBondContact O-N 3.03Å
216S79.8Confident74.6Confident65 Ų6589.9 Ų89.946%0.45550%0.5SS..Hα-helixtrans-65.6-39.5175.2-61.40000111.9T212 N213 A214 S220T212-S216 VanDerWaalsContact O-CB 3.31Å; T212-S216 WeakPolarHBondContact O-CB 3.26Å; T212-S216 PolarHBondContact O-N 2.89Å; T212-S216 PolarHBondContact O-OG 3.04Å; N213-S216 PolarHBondContact O-N 3.42Å; A214-S216 VanDerWaalsContact C-N 3.31Å; A214-S216 PolarHBondContact O-N 3.42Å; S216-S220 WeakPolarHBondContact O-CB 3.33Å; S216-S220 PolarHBondContact O-N 2.89Å
217S78.3Confident73.1Confident63 Ų6390.8 Ų90.844%0.44151%0.509SS..Hα-helixtrans-62.3-52.8172.4-165.60000111N213 A214 L219 S220 D221N213-S217 PolarHBondContact O-N 3.29Å; A214-S217 WeakPolarHBondContact O-CB 3.35Å; A214-S217 PolarHBondContact O-N 3.07Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact O-N 3.38Å; S217-S220 WeakPolarHBondContact O-CA 3.4Å; S217-S220 WeakPolarHBondContact O-CB 3.47Å; S217-S220 PolarHBondContact O-N 3.19Å; S217-S220 PolarHBondContact O-OG 3.42Å; S217-D221 PolarHBondContact O-N 2.84Å
218L76.9Confident71.3Confident102 Ų10295.4 Ų95.453%0.53452%0.52SS..Hα-helixtrans-58.8-42.2179.6-71168.4000112.2A214 F215 S220 D221 V222A214-L218 WeakPolarHBondContact O-CG 3.24Å; A214-L218 PolarHBondContact O-N 3Å; F215-L218 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.42Å; L218-D221 PolarHBondContact O-N 2.82Å; L218-V222 WeakPolarHBondContact O-CB 3.34Å; L218-V222 VanDerWaalsContact O-CG2 3.26Å; L218-V222 WeakPolarHBondContact O-CG2 3.44Å; L218-V222 PolarHBondContact O-N 2.97Å
219L72.8Confident69.2Low125 Ų12594.5 Ų94.565%0.65453%0.526SS*.Hα-helixtrans-66.5-34.8175.9-171.465.3000111.5F215 S217 S223F215-L219 WeakPolarHBondContact O-CB 3.38Å; F215-L219 PolarHBondContact O-N 3.03Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact O-N 3.38Å; L219-S223 WeakPolarHBondContact O-CB 3.34Å; L219-S223 PolarHBondContact O-N 3.34Å
220S67.6Low67.1Low53 Ų5399.2 Ų99.237%0.37155%0.546SS..Hα-helixtrans-67.2-44.517481.60000112S216 S217 L218 S223 I224S216-S220 WeakPolarHBondContact O-CB 3.33Å; S216-S220 PolarHBondContact O-N 2.89Å; S217-S220 WeakPolarHBondContact O-CA 3.4Å; S217-S220 WeakPolarHBondContact O-CB 3.47Å; S217-S220 PolarHBondContact O-N 3.19Å; S217-S220 PolarHBondContact O-OG 3.42Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.42Å; S220-S223 PolarHBondContact O-N 3.22Å; S220-S223 VanDerWaalsContact O-N 3.14Å; S220-S223 PolarHBondContact O-OG 3.37Å; S220-I224 WeakPolarHBondContact O-CG1 3.46Å; S220-I224 PolarHBondContact O-N 2.91Å; S220-I224 VanDerWaalsContact O-N 3.12Å
221D65.4Low65.1Low92 Ų92102 Ų10249%0.49256%0.559SS.*Hα-helixtrans-63-44.3176-72.2-49.6000111.5S217 L218 S223 I224 L225S217-D221 PolarHBondContact O-N 2.84Å; L218-D221 PolarHBondContact O-N 2.82Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 PolarHBondContact O-N 2.83Å; D221-I224 PolarHBondContact O-N 3.34Å; D221-I224 VanDerWaalsContact O-N 3.16Å; D221-L225 PolarHBondContact O-N 2.94Å
222V64.6Low62.9Low97 Ų97109 Ų10959%0.58858%0.584SS**Hα-helixtrans-65-30.6174.5171.10000111.8L218 I224 P226L218-V222 WeakPolarHBondContact O-CB 3.34Å; L218-V222 VanDerWaalsContact O-CG2 3.26Å; L218-V222 WeakPolarHBondContact O-CG2 3.44Å; L218-V222 PolarHBondContact O-N 2.97Å; V222-I224 VanDerWaalsContact C-N 3.34Å; V222-P226 WeakPolarHBondContact O-CD 3.48Å
223S56.5Low60.7Low63 Ų63110.6 Ų110.644%0.44161%0.605SS.*Hα-helixtrans-72.8-24.917480.30000113.6L219 S220 D221 N227L219-S223 WeakPolarHBondContact O-CB 3.34Å; L219-S223 PolarHBondContact O-N 3.34Å; S220-S223 PolarHBondContact O-N 3.22Å; S220-S223 VanDerWaalsContact O-N 3.14Å; S220-S223 PolarHBondContact O-OG 3.37Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 PolarHBondContact O-N 2.83Å; S223-N227 PolarHBondContact O-ND2 2.91Å
224I54.8Low58.2Low83 Ų83110.6 Ų110.643%0.42663%0.625SS.*Hα-helixtrans-81.7-27.7179.2-69.7164.7000111.6S220 D221 V222S220-I224 WeakPolarHBondContact O-CG1 3.46Å; S220-I224 PolarHBondContact O-N 2.91Å; S220-I224 VanDerWaalsContact O-N 3.12Å; D221-I224 PolarHBondContact O-N 3.34Å; D221-I224 VanDerWaalsContact O-N 3.16Å; V222-I224 VanDerWaalsContact C-N 3.34Å
225L54.3Low55.7Low132 Ų132111.9 Ų111.969%0.69164%0.644SS**THydrogen-bonded Turntrans-66.4-49.3-176.6-163.963.6000115.5D221 N227 R228D221-L225 PolarHBondContact O-N 2.94Å; L225-N227 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 2.87Å; L225-R228 PolarHBondContact O-N 3.18Å
226P46.4Very low53.1Low79 Ų79113.1 Ų113.151%0.51365%0.651SS.*G310 helixtrans-66.4-36.9-179.826.3-34000111.8V222 R228 A229V222-P226 WeakPolarHBondContact O-CD 3.48Å; P226-R228 PolarHBondContact O-N 3.29Å; P226-A229 PolarHBondContact O-N 2.74Å; P226-A229 VanDerWaalsContact O-N 3.09Å
227N48.3Very low50.9Low132 Ų132115.1 Ų115.171%0.70667%0.665SS**G310 helixtrans-68.81.1179.1-70.1-66.4000114.3S223 L225S223-N227 PolarHBondContact O-ND2 2.91Å; L225-N227 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 2.87Å
228R47.8Very low48.8Very low203 Ų203118.1 Ų118.177%0.76668%0.681SS**G310 helixtrans-112.7-0.8172.7-75-175.8169.1-1800.3114.4L225 P226L225-R228 PolarHBondContact O-N 3.18Å; P226-R228 PolarHBondContact O-N 3.29Å
229A44Very low46.6Very low80 Ų80120.7 Ų120.766%0.66169%0.69SS**THydrogen-bonded Turntrans-88-33.3-179.100000113.7P226P226-A229 PolarHBondContact O-N 2.74Å; P226-A229 VanDerWaalsContact O-N 3.09Å
230E44.2Very low44.5Very low181 Ų181126 Ų12685%0.84670%0.701SS**SBendtrans-92.1-20.7-168.5-60.7-161.9131.800115.3K232E230-K232 VanDerWaalsContact C-N 3.28Å; E230-K232 PolarHBondContact O-N 3.07Å; E230-K232 VanDerWaalsContact O-N 3.11Å
231E42.4Very low42.5Very low184 Ų184128.2 Ų128.286%0.8671%0.713SS**THydrogen-bonded Turntrans-8526-173.1-146.8-167.6-170.600115.2
232K43.8Very low40.7Very low208 Ų208129 Ų12990%0.90473%0.726SS**THydrogen-bonded Turntrans-140.328.6178.5-86.5-150.6172.5-1740117.8E230E230-K232 VanDerWaalsContact C-N 3.28Å; E230-K232 PolarHBondContact O-N 3.07Å; E230-K232 VanDerWaalsContact O-N 3.11Å
233A40.1Very low38.9Very low103 Ų103130.7 Ų130.785%0.85174%0.736SS**SBendtrans-143.987.2171.400000115.2
234G30.8Very low37.5Very low87 Ų87135.7 Ų135.790%0.89775%0.752SS**  trans139.8113.8161.800000114.6
235G28.2Very low36.1Very low79 Ų79136.9 Ų136.981%0.81477%0.768SS**  trans-165.3-19.3-175.700000120
236E28.3Very low34.8Very low165 Ų165138.6 Ų138.677%0.77177%0.77SS**  trans-140.5110.3174.2-65.1-173.1-135.400108.6
237S33.3Very low34.3Very low107 Ų107142.2 Ų142.275%0.74878%0.78SS**  69.3139.465.2105.10000113.9
238V33.6Very low33.4Very low126 Ų126145 Ų14576%0.76479%0.789SS**  cis-159.5150.7-12.8101.60000110.7
239Q31.6Very low32.5Very low155 Ų155143.3 Ų143.372%0.72479%0.79SS**  trans40.4126151.6-160178.415.900123T241Q239-T241 HydrophobicContact CG-CG2 4.33Å
240R29.2Very low31.8Very low237 Ų237144.9 Ų144.989%0.89479%0.791SS**  trans-161.694.2137-108.9-171.7-80.8154.9-8.7109.3
241T25.7Very low31Very low100 Ų100139.6 Ų139.661%0.61379%0.785SS**  95.8106.879.749.80000114.7Q239Q239-T241 HydrophobicContact CG-CG2 4.33Å
242S25.8Very low30.4Very low109 Ų109138.8 Ų138.876%0.76279%0.787SS**  trans60.2122.1149.2-160.10000120.8
243V28.3Very low30.3Very low132 Ų132133.9 Ų133.980%0.878%0.776SS**  -146.4126.1104.3176.70000111.1
244Q27.1Very low29.7Very low168 Ų168136.5 Ų136.579%0.78578%0.775SS**  trans-5.1131.4159-57.6163.1-67.700122.9
245S25.4Very low29.6Very low108 Ų108139.5 Ų139.576%0.75577%0.77SS**  -167.994.9127.157.80000108
246F27Very low29.6Very low168 Ų168142.4 Ų142.474%0.73777%0.765SS**  64.8123.373127.8-65.6000112.9
247E34.8Very low29.6Very low154 Ų154139.9 Ų139.972%0.7276%0.761SS**  cis-98.1-124.2-10-58.6-73.140.500111.4
248E30.2Very low29.5Very low192 Ų192140.7 Ų140.790%0.89777%0.766SS**  cis-149.4-1640.2-149.3166.2118.100110.7
249E28.8Very low29.2Very low166 Ų166137.7 Ų137.778%0.77676%0.76SS**  trans-124.1163.9-159.6-123.6-163.994.800111.6
250T29.4Very low29Very low114 Ų114136.8 Ų136.870%0.69977%0.766SS**  cis-152.2153.52.4-33.80000109.4
251G26.3Very low29.2Very low69 Ų69132.3 Ų132.371%0.71177%0.765SS**  trans91.7108.8141.400000120.5
252N31.5Very low29.4Very low167 Ų167131.3 Ų131.389%0.89377%0.774SS**  trans-113.4163.2141.3-90.2-57.8000106.6
253P40.3Very low29.9Very low105 Ų105130.6 Ų130.668%0.68278%0.775SS**  cis-145.5-16924.342.3-21.7000116.9
254L28.4Very low30Very low158 Ų158136.1 Ų136.183%0.82778%0.781SS**  trans86109.4153.1-69.5173.9000121.9
255D27.7Very low30.6Very low150 Ų150134.3 Ų134.380%0.80278%0.781SS**  89.3160121.6-151.816.4000121.4
256M28Very low30.9Very low141 Ų141137.3 Ų137.370%0.69579%0.789SS**  trans76.395.2168.2-73.9-165.962.400121.8
257T28.1Very low31.3Very low112 Ų112140.9 Ų140.969%0.68780%0.798SS**  72.7146.5127.665.60000122.7
258S31.6Very low31Very low123 Ų123138 Ų13886%0.8680%0.799SS**  trans75125.3152.5-56.20000120.2
259G27.1Very low31.2Very low63 Ų63136.2 Ų136.265%0.64980%0.796SS**  115.470.9118.700000120.5
260T28.5Very low31.5Very low137 Ų137133.4 Ų133.484%0.8480%0.795SS**  trans72.6151.5132.3-41.30000119.6
261V33.3Very low31.6Very low143 Ų143133.9 Ų133.987%0.86780%0.801SS**  trans73.4102.6175.6-164.80000115.7
262G30.7Very low32Very low79 Ų79138.9 Ų138.981%0.81481%0.806SS**  trans-164.862.417400000112.1
263A35Very low32.1Very low93 Ų93136.7 Ų136.777%0.76980%0.804SS**  trans-75.4131.3171.200000110.2
264R30.3Very low31.6Very low249 Ų249139 Ų13994%0.9481%0.81SS**  -149.5168.6117.6-61.6-156.3-170.2-89.8-12.4108.9
265V39.5Very low31.9Very low130 Ų130137 Ų13779%0.78881%0.81SS**  trans-90.2141.3-178.9173.70000109.8
266D31.7Very low32.5Very low171 Ų171136.1 Ų136.191%0.91482%0.815SS**  trans-140154.8148.3-103.8-47.7000110.6
267R35Very low32.7Very low243 Ų243132.9 Ų132.992%0.91782%0.819SS**  trans-119.5112.1-162.8176.4-177.6179.7145.8-1.4110.9
268A30Very low32.6Very low92 Ų92136.8 Ų136.876%0.7683%0.826SS**  trans-124.4140.8173.400000112
269N34.5Very low32.8Very low156 Ų156139 Ų13983%0.83483%0.828SS**  trans-69.2138.8174.148.6-25.5000112.7
270S35.2Very low33Very low106 Ų106144.5 Ų144.574%0.74184%0.837SS**  trans-148.4122.5154.5-165.90000108.9
271C30.7Very low33.2Very low124 Ų124146.4 Ų146.484%0.83884%0.836SS**  trans-103.1117.1174.4-60.10000108
272Q34.3Very low33.3Very low175 Ų175145.3 Ų145.382%0.81883%0.832SS**  trans-122.4143.9160.6-63.3-159.4-103.700107.9
273S34.5Very low33.2Very low121 Ų121149.8 Ų149.885%0.84684%0.836SS**  trans-130.5111.6-169.7-570000110.2
274D30Very low32.9Very low152 Ų152154.1 Ų154.181%0.81384%0.84SS**  trans-146.7158170.440.4-29.2000110.4
275S34.5Very low33.1Very low117 Ų117148 Ų14882%0.81883%0.833SS**  trans-108.3173-139-560000116
276S40.3Very low32.5Very low131 Ų131150 Ų15092%0.91684%0.838SS**  trans84.6139.8162.477.90000117.4
277G31.3Very low32.7Very low74 Ų74147.3 Ų147.376%0.76383%0.83SS**  trans-175.752.9-171.100000110.7
278F26.5Very low32.3Very low193 Ų193142.9 Ų142.985%0.84682%0.824SS**PPolyproline II helixtrans-74.3131.6167.7-165.3-98.2000107.4
279L35.4Very low32.2Very low170 Ų170146.7 Ų146.789%0.8983%0.826SS**PPolyproline II helixtrans-85.6121.4178.4-75.6176.1000110
280E32.8Very low31.8Very low179 Ų179146.8 Ų146.884%0.83682%0.823SS**PPolyproline II helixtrans-103.5149.4175.8-160.5167.5131.600110.2
281E31.4Very low31.7Very low177 Ų177147.2 Ų147.283%0.82782%0.824SS**PPolyproline II helixtrans-78.3142.4-172-164.1171.7-17700111.8
282P35Very low31.4Very low119 Ų119146.1 Ų146.177%0.77382%0.817SS**PPolyproline II helixtrans-78.1140.2-171.430.3-35.8000113.7
283L28.4Very low31.2Very low174 Ų174145.8 Ų145.891%0.91182%0.82SS**  trans-123.3142.8168.4-69.3176.8000111.7
284E28.9Very low31.1Very low183 Ų183145.8 Ų145.886%0.85582%0.817SS**  trans-81.5156.1-175.7-71.9-171.611300113.9
285P34.5Very low30.8Very low122 Ų122145.9 Ų145.979%0.79282%0.818SS**  trans-89.6141.5-167.233.8-35.9000115.5
286L27.3Very low30.5Very low171 Ų171144.9 Ų144.990%0.89581%0.811SS**  trans-108.7134.9162.5-82.686.5000111.8
287P36.7Very low29.8Very low114 Ų114148 Ų14874%0.7481%0.811SS**  trans-113.4168.5174.639.4-32.1000115.3
288L26.1Very low29.6Very low150 Ų150149.6 Ų149.679%0.78581%0.811SS**  trans93.777.8160-50.2-174.2000121.1
289Q27Very low30.1Very low173 Ų173146.4 Ų146.481%0.80881%0.809SS**  50.2111.3121.6-64.1-178.1-1.100122.6
290M28.1Very low29.6Very low158 Ų158142.7 Ų142.778%0.77880%0.803SS**  52.9142.2113.9-62.7-54.4-80.500121
291P32.3Very low29.4Very low115 Ų115142.6 Ų142.675%0.74780%0.802SS**  -152.1156.752.441.1-20.1000121.3
292S25.2Very low29.3Very low101 Ų101141 Ų14171%0.70680%0.799SS**  trans43.5126.4139.2-52.90000124.1
293L29Very low28.9Very low168 Ų168139.3 Ų139.388%0.8880%0.804SS**  trans-65.6166.1158.7-66162.6000112.4
294P33.2Very low28.8Very low121 Ų121134.9 Ų134.979%0.78680%0.8SS**  -151.5162.798.141-25.1000118.3
295N22.1Very low28.9Very low154 Ų154138 Ų13882%0.82481%0.805SS**  trans83.3157.4147.1-145.536.2000120.9
296S29.4Very low28.8Very low96 Ų96140.9 Ų140.967%0.67180%0.804SS**  trans-131.1147.8-171.355.80000112.8
297Q25.6Very low29.2Very low195 Ų195138.3 Ų138.391%0.91180%0.798SS**  trans-171.4156.3155.3-109.1159.524.100112.1
298S26.6Very low28.7Very low109 Ų109142 Ų14276%0.76280%0.797SS**  trans-108.9180169.463.20000108.6
299P36.9Very low28.7Very low125 Ų125139.3 Ų139.381%0.81278%0.783SS**  cis-133.4-153.611.243.3-23.2000114.2
300A25.9Very low28.7Very low92 Ų92139 Ų13976%0.7678%0.782SS**  trans-88162.4-172.700000115
301E28.7Very low28.7Very low177 Ų177134.9 Ų134.983%0.82777%0.769SS**  trans-164.9179.1138.5-107.4-122.170.100114.4
302N28.3Very low28.5Very low143 Ų143137.6 Ų137.677%0.76577%0.771SS**  trans-76.3141.3-158.1-72.8-81.6000118.1
303G26.7Very low28.4Very low84 Ų84137.1 Ų137.187%0.86677%0.768SS**  76.4110.511800000121.4
304G25.9Very low28.3Very low81 Ų81136.6 Ų136.684%0.83577%0.765SS**  trans-155.5154.8164.600000111.9
305R32.1Very low27.9Very low250 Ų250136.3 Ų136.394%0.94376%0.761SS**  trans-119.7141.2-171.9-65-176.7-175.9-114.11.4114
306K32.2Very low28.1Very low181 Ų181134.1 Ų134.179%0.78776%0.758SS**  trans15.8149138.8-94-176.6178.3176.40120
307P35.9Very low28Very low117 Ų117134.4 Ų134.476%0.7676%0.76SS**  cis-128.7172.949.837.5-19.4000113.7
308R26Very low28Very low191 Ų191134 Ų13472%0.72176%0.758SS**  50.3136.959.3-94.1-159171.5-1418.6112.5
309D26Very low27.9Very low94 Ų94135.5 Ų135.550%0.50376%0.757SS.*  cis-163.31776.1-132.7-8.1000109.1
310Q27.1Very low27.4Very low166 Ų166134 Ų13478%0.77675%0.749SS**  trans68.9161.9162-67.916265.100118.6
311S28Very low27.4Very low73 Ų73137 Ų13751%0.5175%0.747SS.*  -175.1177.5-58.540.50000111
312H26.8Very low27.4Very low172 Ų172135.2 Ų135.280%0.79674%0.742SS**  trans75.3159.6171.1-30.6-76.8000115.1
313S24.6Very low27.2Very low91 Ų91137.1 Ų137.164%0.63675%0.747SS**  cis-158.71503.592.10000112.8
314L26.7Very low27.2Very low156 Ų156137.6 Ų137.682%0.81774%0.737SS**  trans62.5167.9145.7-62.2173000118.6
315V23.5Very low27.2Very low116 Ų116141.9 Ų141.970%0.70374%0.741SS**  cis-179.7160.3-47.2125.30000106.7
316S26.3Very low27.2Very low107 Ų107132.4 Ų132.475%0.74872%0.72SS**  trans70.2160.4172-83.80000116.9
317S27.9Very low28.1Very low102 Ų102129.4 Ų129.471%0.71372%0.719SS**  cis178.4-173.1-31.458.30000107
318Q26.1Very low27.7Very low188 Ų188129 Ų12988%0.87971%0.711SS**  trans79.3124.1172.6-152.3157.150.600113.9
319D24.4Very low27.9Very low140 Ų140125 Ų12575%0.74971%0.712SS**  cis132.2149-6-176.426.2000109.8
320C26Very low28Very low93 Ų93128.9 Ų128.963%0.62873%0.725SS**  trans67147.5-178.8-65.80000117.2
321Q26.7Very low28Very low156 Ų156126.4 Ų126.473%0.72973%0.726SS**  cis-165149.6-11.6-118.8179.421.300111
322L28.1Very low27.9Very low139 Ų139133.8 Ų133.873%0.72874%0.742SS**  trans58.2160.4150.3-64.4167.4000118.1
323E24.3Very low27.8Very low183 Ų183129.9 Ų129.986%0.85574%0.739SS**  cis-131149.210.7-156.1158.9125.400112
324S26.6Very low27.8Very low94 Ų94131.5 Ų131.566%0.65775%0.751SS**  trans-93.4149.2-176.71700000110.7
325D25.4Very low27.7Very low171 Ų171132.7 Ų132.791%0.91476%0.755SS**  trans-151.3148.7139.2-133.6-15.2000115.7
326G32.2Very low27.9Very low50 Ų50132 Ų13252%0.51576%0.755SS.*  trans118.2168.3-165.300000112
327P51.4Low27.8Very low118 Ų118134.7 Ų134.777%0.76675%0.754SS**  cis-136.9-147.24.341.2-20000112.9
328D27.7Very low27.8Very low108 Ų108133.6 Ų133.658%0.57875%0.746SS**  trans65.6121.5149.7-90.529.5000122.9K330D328-K330 IonicContact OD2-NZ 3.21Å; D328-K330 PolarHBondContact OD2-NZ 3.46Å
329S31Very low27.8Very low108 Ų108130.5 Ų130.576%0.75575%0.745SS**  172.5127110.1-77.10000111.7
330K28Very low28Very low175 Ų175127.7 Ų127.776%0.76173%0.727SS**  6994.665-74.4177.6-179.6129.50116.4D328D328-K330 IonicContact OD2-NZ 3.21Å; D328-K330 PolarHBondContact OD2-NZ 3.46Å
331S26.6Very low28.2Very low114 Ų114128.5 Ų128.580%0.79772%0.722SS**  trans-170.3123.3139.7-167.20000107.9
332R25.2Very low28.1Very low229 Ų229125.6 Ų125.686%0.86471%0.714SS**  cis84.279.843.1-154.4-172.493.31485.1115.1
333A24.6Very low27.9Very low89 Ų89127.3 Ų127.374%0.73672%0.724SS**  trans51.9120.914600000121
334S25.9Very low28.1Very low125 Ų125122.3 Ų122.387%0.87471%0.714SS**  173.9162114-75.30000112.3
335M23.8Very low28.2Very low182 Ų182125.5 Ų125.590%0.89772%0.723SS**  trans-89.5149.7178.6-45.6171.1-16200112
336S27Very low28.3Very low102 Ų102124.3 Ų124.371%0.71371%0.712SS**  159.9120.7119.1-74.10000115.8
337F25.6Very low28.1Very low163 Ų163129.1 Ų129.172%0.71572%0.721SS**  trans43.8122138.9-59.1-64.5000124.5
338S26.3Very low27Very low79 Ų79135.1 Ų135.155%0.55273%0.728SS**  77.8125.7128-154.20000121.4
339S27.1Very low26.8Very low122 Ų122134.6 Ų134.685%0.85374%0.739SS**  -163.1140.4116.8-103.90000112.8
340Q28.6Very low26.9Very low82 Ų82135.2 Ų135.238%0.38374%0.744SS.*  trans-66.7168.5159.9-85.7177.8-109.300111.7T457 Q458Q340-T457 PolarHBondContact NE2-OG1 3.3Å; Q340-Q458 VanDerWaalsContact OE1-CG 3.3Å
341E29.7Very low26.6Very low110 Ų110134.1 Ų134.151%0.51475%0.751SS.*  cis179-177.2-18.6-168.4-161.3146.700107.2H456E341-H456 IonicContact OE1-CD2 2.76Å; E341-H456 IonicContact OE1-NE2 3.64Å; E341-H456 IonicContact OE2-CD2 3.17Å; E341-H456 PolarHBondContact OE2-CD2 3.47Å
342V25Very low26.5Very low95 Ų95133.8 Ų133.858%0.57675%0.749SS**  trans57.6123.8161.5-141.90000119.4A344V342-A344 HydrophobicContact CG1-CB 4.36Å
343N23.5Very low26.4Very low174 Ų174129 Ų12993%0.9375%0.745SS**  -145.8130.9120.2-100.6-64.2000108.5
344A28.9Very low26.7Very low78 Ų78133 Ų13365%0.64575%0.75SS**  trans-141.8126.9-17400000111.3V342V342-A344 HydrophobicContact CG1-CB 4.36Å
345L28.5Very low26.8Very low161 Ų161135.7 Ų135.784%0.84375%0.749SS**  trans-174.2149.3169.1-122.966.7000106.6
346E27.8Very low27Very low146 Ų146135.3 Ų135.368%0.68275%0.745SS**  cis-152.1138-1.7-157.5172.1165.600113.3
347Q27.2Very low27.1Very low152 Ų152138.7 Ų138.771%0.7175%0.75SS**  trans3.8130.2156.5-50.5171.22900121.8
348R29.7Very low27Very low243 Ų243140.3 Ų140.392%0.91776%0.757SS**  -139.2107.7125.3-57.5-64.3174-150.9-4.1106.6
349A23.5Very low27Very low97 Ų97143.2 Ų143.280%0.80277%0.765SS**  74109.78600000113.8
350S32Very low27Very low122 Ų122146.1 Ų146.185%0.85377%0.77SS**  trans-102.1160.6-175.6-40.60000113.2
351V21.5Very low26.8Very low152 Ų152150.4 Ų150.492%0.92179%0.79SS**  trans-135.9147.9162.9177.30000109.2
352S24.6Very low26.8Very low106 Ų106149.4 Ų149.474%0.74180%0.801SS**  trans-126161.1-172.356.50000112.5
353V24.1Very low27Very low129 Ų129153.8 Ų153.878%0.78282%0.817SS**  trans172.6121.5157.9139.20000104.1
354M30.1Very low27.1Very low173 Ų173155.1 Ų155.185%0.85282%0.818SS**  cis72.294.632.8-165.3-158.6-65.100114.9
355E27.6Very low27.2Very low181 Ų181154.2 Ų154.285%0.84682%0.817SS**  trans173.1154.7154.8-100.4167.1-150.900106.8
356E28.9Very low27.6Very low174 Ų174152.2 Ų152.281%0.81381%0.813SS**  cis-152168.9-41.6-149177.5-151.300107.7
357E28.8Very low27.8Very low174 Ų174151.8 Ų151.881%0.81382%0.823SS**  trans-87.3135.2177.2-176.8173.4-148.300110.6
358F23.1Very low27.9Very low197 Ų197153.2 Ų153.286%0.86483%0.83SS**  trans-139.2132.2170.3-124.3-85.5000113.2
359L26.4Very low28.1Very low139 Ų139149.4 Ų149.473%0.72883%0.827SS**  trans-80.1147.3-172.5-67.6148.1000113
360L27.3Very low28.2Very low183 Ų183155.7 Ų155.796%0.95883%0.831SS**  trans-142.6118.8135.5-97.3179.2000109.8
361E25.5Very low28.2Very low172 Ų172156.5 Ų156.580%0.80483%0.825SS**  trans-119.6113.3175.8-179.9-175.5-172.700109.4
362A27.9Very low28.6Very low90 Ų90155.4 Ų155.474%0.74482%0.82SS**  trans-174.3102.115900000106.9
363M30.1Very low28.6Very low186 Ų186157.8 Ų157.892%0.91683%0.825SS**  65.699.287.4-74.9-170.265.400114.5
364E26.1Very low28.9Very low202 Ų202159.9 Ų159.994%0.94483%0.829SS**  trans-139.6147.8146.4-165.4148.6-137.800109.2
365G31.8Very low28.7Very low60 Ų60156.3 Ų156.362%0.61983%0.826SS**  trans-100.3-176.1-168.300000114.7
366P35Very low28.9Very low119 Ų119153.4 Ų153.477%0.77383%0.825SS**  trans-70.3141.9176.530.4-34.8000111.6E368P366-E368 PolarHBondContact O-N 3.44Å
367P33.2Very low28.8Very low136 Ų136149.4 Ų149.488%0.88382%0.821SS**  trans-79.998.7175.731.3-33.3000111.3
368E28.5Very low28.9Very low182 Ų182150.2 Ų150.285%0.8582%0.822SS**  trans-80.7157.5163.3-77.6-160.2135.500112.2P366P366-E368 PolarHBondContact O-N 3.44Å
369L34.1Very low29Very low163 Ų163147.3 Ų147.385%0.85382%0.821SS**  trans-51.6141.9179.2-69.9103000113.1
370Y26.7Very low29Very low229 Ų229146.5 Ų146.590%0.89882%0.822SS**  trans-135.2140.5153.7-121.3-86.4000113.6
371I30.5Very low28.9Very low140 Ų140143.5 Ų143.572%0.71881%0.811SS**  trans-89.7136.1-178.5-62.8165.8000108.7D373I371-D373 PolarHBondContact O-N 3.05Å
372P31.1Very low28.7Very low128 Ų128147.2 Ų147.283%0.83182%0.818SS**  trans-79.2110173.7-3.420.8000110.5
373D24.2Very low28.6Very low157 Ų157146.6 Ų146.684%0.8482%0.82SS**  trans-129102.4170.2-157.90.3000109I371I371-D373 PolarHBondContact O-N 3.05Å
374M30.7Very low28.4Very low173 Ų173147.5 Ų147.585%0.85282%0.822SS**  trans-114.795.7-164.1-173.7169.464.200112.3
375A26.6Very low28.4Very low97 Ų97143.7 Ų143.780%0.80282%0.817SS**  trans-106.299.118000000112.8
376C30.4Very low28.7Very low121 Ų121146.6 Ų146.682%0.81882%0.824SS**  trans-86.9134.5170-61.50000111.4
377A26.5Very low28.4Very low90 Ų90151.3 Ų151.374%0.74483%0.827SS**  trans-110.9121-166.700000115.6
378K31.1Very low28.2Very low191 Ų191153.9 Ų153.983%0.8382%0.824SS**  trans57.5121.9144.3-63.2173178169.50120.5
379T24.9Very low28.3Very low136 Ų136150.9 Ų150.983%0.83481%0.814SS**  -138101.8116.145.70000112.6
380T27Very low28.2Very low121 Ų121147.2 Ų147.274%0.74280%0.802SS**  trans36.3122.2130.9-41.70000120.6
381T24.3Very low28.4Very low121 Ų121144.3 Ų144.374%0.74280%0.796SS**  174.4114113.7-730000114.3
382R23.2Very low28.5Very low249 Ų249144.4 Ų144.494%0.9480%0.797SS**  trans58.8113.6143.6-168.2-171.1-168.1-165.24.6121.1
383G25.5Very low28.3Very low77 Ų77148.7 Ų148.779%0.79480%0.797SS**  trans178.1123.2159.700000112.3
384E25.5Very low28.5Very low206 Ų206147.6 Ų147.696%0.96379%0.787SS**  trans-82.4154.3-168.2-63.9168.6115.500114.7
385C25.2Very low28.3Very low122 Ų122146.7 Ų146.782%0.82479%0.785SS**  trans-139129.9164.8-172.80000110.6R387C385-R387 PolarHBondContact O-N 2.84Å
386P39.6Very low28.5Very low120 Ų120149.3 Ų149.378%0.77979%0.785SS**  trans-90.9102.5-167.833.5-35000115.7
387R27.6Very low29Very low218 Ų218149.3 Ų149.382%0.82378%0.783SS**  trans22.3121.8133.7-175-173.7-174.8176.36.5119.9C385C385-R387 PolarHBondContact O-N 2.84Å
388K30.1Very low29.2Very low190 Ų190152.3 Ų152.383%0.82678%0.783SS**  trans177.5149.6143.8-100.4153.6177-173.70110.5
389D30.6Very low29.6Very low119 Ų119148.7 Ų148.764%0.63678%0.779SS**  cis-156.5129.2-30.1-103.3-11.6000110.1
390S32.2Very low29.9Very low86 Ų86151 Ų15160%0.60178%0.78SS**  trans26.9118.7140-78.60000125.3
391H29.7Very low30Very low169 Ų169149.2 Ų149.278%0.78278%0.778SS**  83.3103.3128.2-48.9-35.9000124
392L33.5Very low30.4Very low141 Ų141151.8 Ų151.874%0.73878%0.781SS**  58.9108.2108.5-157.5159.2000121.8
393W25.6Very low30.8Very low219 Ų219150.3 Ų150.383%0.8378%0.777SS**  trans-151.9138.1143.9-91.983.2000106.5
394Q29.1Very low31.1Very low134 Ų134154.2 Ų154.263%0.62678%0.775SS**  cis102.4127.135-103.1-164.830.400115
395L25.9Very low31.4Very low153 Ų153149.4 Ų149.480%0.80176%0.76SS**  trans87.7124.9157.1-60.7165.5000121.9
396L30.5Very low31.6Very low153 Ų153150 Ų15080%0.80176%0.759SS**  trans-87168.8156.1-101.7162.1000108.7
397P42.3Very low30.9Very low120 Ų120154.8 Ų154.878%0.77976%0.762SS**  -151.7-175.251.842.5-20.3000118.5
398M30.3Very low31.6Very low154 Ų154149.4 Ų149.476%0.75976%0.755SS**  trans-75159.5170.4-78-77.1-69.800114
399P39.6Very low31.5Very low114 Ų114146.4 Ų146.474%0.7475%0.753SS**  trans-88159.5165.735.8-33.5000113.7
400H29.7Very low31.4Very low185 Ų185144.5 Ų144.586%0.85675%0.754SS**  trans-128.2157.9-179.9-92.9-84.2000112.3
401A30.9Very low31.2Very low84 Ų84146.7 Ų146.769%0.69476%0.764SS**  trans-163.9119.8148.700000107
402E32.2Very low31.1Very low175 Ų175143.8 Ų143.882%0.81876%0.762SS**  77.8137.270.1-74.3176.3-153.400112.8
403Y31.6Very low31Very low217 Ų217145 Ų14585%0.85176%0.762SS**  cis-162177.14.457.8-92000109.4
404E31.9Very low31.1Very low159 Ų159143.9 Ų143.974%0.74376%0.759SS**  -163.9166.9-57.8-124.5-72.661.600108.4
405V31.2Very low31.1Very low106 Ų106143.8 Ų143.864%0.64276%0.762SS**  trans70.8125.6153.1163.50000117.7
406T29.3Very low31.5Very low134 Ų134145.7 Ų145.782%0.82277%0.767SS**  -154.5160.365.6-42.40000114.5
407R24.5Very low32Very low221 Ų221144.8 Ų144.883%0.83477%0.77SS**  trans-130.8-173.2-173.1-142.2-163.3-81.9134.6-4.4109.2
408P43.5Very low31.7Very low104 Ų104147.2 Ų147.268%0.67578%0.776SS**  cis-104.9-145.4-35.418.86.9000109.7
409T27.4Very low31.6Very low127 Ų127143.1 Ų143.178%0.77977%0.773SS**  cis-159.6164.615.7-32.40000113.5
410A27.8Very low31.1Very low79 Ų79146.9 Ų146.965%0.65378%0.778SS**  trans-29.415117300000119.9
411T28.4Very low31.1Very low132 Ų132145.1 Ų145.181%0.8177%0.772SS**  -168.4151.870.730.40000115.4
412S28.4Very low31Very low108 Ų108146.5 Ų146.576%0.75577%0.772SS**  trans66.9133.1152.5-173.50000118.7
413K31.5Very low30.7Very low167 Ų167142.9 Ų142.973%0.72676%0.762SS**  cis-167.8139.7-3.4-114.7-175.9175.1-171.60109.5
414Y27.6Very low30.5Very low196 Ų196140.6 Ų140.677%0.76976%0.759SS**  trans51.6151.2155.8-66.2-71.3000119.8
415D28.7Very low30.3Very low131 Ų131140 Ų14070%0.70177%0.765SS**  cis-139.2131.47.2-102.6-49000111.1
416H34.9Very low30.3Very low193 Ų193141.1 Ų141.189%0.89477%0.772SS**  trans-165.2147.3163.4-91.26.8000109.1
417P41.3Very low30.2Very low134 Ų134143.8 Ų143.887%0.8778%0.776SS**  trans-139157.1134.737.3-25.2000115.3
418L35.8Very low30.3Very low171 Ų171140.6 Ų140.690%0.89577%0.772SS**  trans-103.3152.5179.5173.571.1000110.5
419G26.9Very low29.7Very low69 Ų69143.7 Ų143.771%0.71178%0.778SS**  trans-178.7105.4169.200000117.9
420F28.8Very low29.7Very low192 Ų192144 Ų14484%0.84278%0.775SS**  trans-75.2165.6151-79.7-131.4000107.8
421M29.4Very low29.6Very low149 Ų149145.3 Ų145.373%0.73478%0.779SS**  cis-168.4161.618.6-133.6161.861.100110.7
422V30.3Very low29.6Very low113 Ų113148 Ų14869%0.68578%0.78SS**  32.6126.9127.91630000118.1
423T26.1Very low29.6Very low99 Ų99149.5 Ų149.561%0.60778%0.784SS**  cis-174.5168.920.213.50000115.2
424H26.2Very low29.5Very low169 Ų169150.3 Ų150.378%0.78278%0.782SS**  trans68136.5151.7-54.4-44.8000123
425V28.3Very low30.1Very low145 Ų145146.1 Ų146.188%0.87978%0.779SS**  164.5156.6121.9157.90000111.1
426T31.3Very low30.1Very low130 Ų130146.9 Ų146.980%0.79878%0.779SS**  trans-136.2144.1-170.852.60000114.2
427E27.9Very low29.8Very low191 Ų191141 Ų14189%0.89377%0.77SS**  trans-167.7167.1157.3-99.3-178153.500107.3
428M26.7Very low29.2Very low153 Ų153140.1 Ų140.175%0.75477%0.774SS**  cis156.3115.8-30.6175-176.216500107.3
429Q29.8Very low28.8Very low170 Ų170135.7 Ų135.779%0.79477%0.769SS**  trans165.2123144.6-92.8170.424.600108.5
430D27.2Very low28.8Very low134 Ų134141.9 Ų141.972%0.71778%0.777SS**  74.912171-159.132.8000110.7
431S26.7Very low28.8Very low106 Ų106138.3 Ų138.374%0.74177%0.771SS**  cis-163.5-173.444.151.50000114.8
432F27Very low28.7Very low188 Ų188138.6 Ų138.683%0.82577%0.77SS**  trans-72.4159-170.3-67.5-109.8000116.8
433V28.6Very low28.6Very low139 Ų139138.8 Ų138.884%0.84278%0.777SS**  168.8146.7115.5154.40000113.1
434R29.7Very low28.9Very low184 Ų184141.3 Ų141.369%0.69478%0.781SS**  trans-119.2134173.3-175.2-155.7-179.4-120.90.2109.6E436R434-E436 IonicContact CZ-OE1 2.77Å; R434-E436 IonicContact CZ-OE2 2.81Å; R434-E436 IonicContact NH1-OE1 2.95Å; R434-E436 PolarHBondContact NH1-OE1 2.87Å; R434-E436 IonicContact NH1-OE2 3.26Å; R434-E436 PolarHBondContact NH1-OE2 2.9Å; R434-E436 IonicContact NH2-OE1 3.95Å; R434-E436 PolarHBondContact NH2-OE1 3.15Å
435P41.1Very low29Very low109 Ų109142.2 Ų142.271%0.70879%0.785SS**  -136.8158.4111.616.55.7000111.5
436E28.8Very low29.1Very low147 Ų147142.3 Ų142.369%0.68778%0.781SS**  cis86.4121.832.6-165.9157.7-111.800115.2R434R434-E436 IonicContact CZ-OE1 2.77Å; R434-E436 IonicContact CZ-OE2 2.81Å; R434-E436 IonicContact NH1-OE1 2.95Å; R434-E436 PolarHBondContact NH1-OE1 2.87Å; R434-E436 IonicContact NH1-OE2 3.26Å; R434-E436 PolarHBondContact NH1-OE2 2.9Å; R434-E436 IonicContact NH2-OE1 3.95Å; R434-E436 PolarHBondContact NH2-OE1 3.15Å
437G27.5Very low28.8Very low70 Ų70145.2 Ų145.272%0.72279%0.785SS**  trans116115.2-173.100000111.4
438A28.2Very low28.9Very low115 Ų115141.4 Ų141.495%0.9578%0.78SS**  cis81113.643.600000114.5
439G28.1Very low29.1Very low77 Ų77141.8 Ų141.879%0.79478%0.78SS**  trans151.278.5167.500000119.4
440K26.8Very low28.9Very low200 Ų200144.4 Ų144.487%0.8778%0.782SS**  13.1157.9128.8-155.9175.6-174.2175.30121.2
441V29Very low29.2Very low117 Ų117143 Ų14371%0.70978%0.783SS**  trans93116.4167.3-1750000113
442Q27.6Very low30.1Very low155 Ų155144.1 Ų144.172%0.72479%0.788SS**  cis104.7118.127.3179.4-165.418.900113.1
443S27.8Very low30Very low117 Ų117138.5 Ų138.582%0.81878%0.782SS**  trans-158.6159.1146.265.40000110.7
444H32.1Very low30.1Very low152 Ų152138.8 Ų138.870%0.70478%0.78SS**  trans-119.5159.7178.1-61.9-99.2000110.5
445H28.4Very low30.1Very low188 Ų188137.2 Ų137.287%0.8779%0.785SS**  trans163.6111.1140.1-86.8-65.7000106.4
446N29.8Very low29.7Very low146 Ų146138.1 Ų138.178%0.78178%0.779SS**  cis80.49634.9-163.219.4000114.3
447E26.2Very low29.9Very low192 Ų192134.5 Ų134.590%0.89777%0.767SS**  trans-151.4177.5157.1-134.1169.8-159.300111.4
448S29.6Very low30.1Very low110 Ų110137.3 Ų137.377%0.76976%0.762SS**  trans-106162.1-139.1-66.60000119.5
449Q30.6Very low30Very low162 Ų162136.2 Ų136.276%0.75774%0.74SS**  trans-7.6154150.3-54.7-175.3-1.800117.9
450R26.4Very low30.4Very low224 Ų224137.6 Ų137.685%0.84572%0.724SS**  -172155.451.1-161.8-179.2-109.2178.2-8.2114
451S32.6Very low30.5Very low104 Ų104137.1 Ų137.173%0.72772%0.722SS**  trans-76.3-168.6168.2-34.40000112.3
452P46.8Very low30.7Very low131 Ų131139.3 Ų139.385%0.85173%0.729SS**  cis-138.9-167.9-0.543.5-24.4000115.4
453G25.1Very low30.6Very low69 Ų69139.9 Ų139.971%0.71173%0.732SS**  trans171.7128.7161.700000113.5
454N29.9Very low30.7Very low146 Ų146140.2 Ų140.278%0.78173%0.728SS**  trans-122.9-172.8-178-73.86.4000111.7
455D29.5Very low30.6Very low150 Ų150139.8 Ų139.880%0.80273%0.731SS**  trans81.8160.5157.8-48.9-23.8000118
456H33.1Very low30.9Very low129 Ų129135.9 Ų135.960%0.59773%0.725SS**  -163.4153.6-53.9-151.251000108.3E341E341-H456 IonicContact OE1-CD2 2.76Å; E341-H456 IonicContact OE1-NE2 3.64Å; E341-H456 IonicContact OE2-CD2 3.17Å; E341-H456 PolarHBondContact OE2-CD2 3.47Å
457T32.1Very low30.7Very low71 Ų71137.5 Ų137.544%0.43673%0.728SS.*  trans57.9141.9152.243.80000125.1Q340Q340-T457 PolarHBondContact NE2-OG1 3.3Å
458Q31.8Very low31.1Very low128 Ų128132.4 Ų132.460%0.59872%0.719SS**  trans61.8155.2139.7-72-156.315.800120.7Q340Q340-Q458 VanDerWaalsContact OE1-CG 3.3Å
459D27.8Very low31.8Very low92 Ų92132.4 Ų132.449%0.49272%0.716SS.*  cis-176.8166.5-20.6179.223.3000107
460K36.3Very low31.7Very low107 Ų107134.7 Ų134.747%0.46572%0.718SS.*  trans62116.6166.7-75.6152.6-178.2119.70118
461F29.2Very low31.7Very low189 Ų189131.5 Ų131.583%0.82971%0.713SS**  92.9161.258.6-89.1-65.8000113.5
462L31.3Very low31.8Very low164 Ų164135.3 Ų135.386%0.85972%0.719SS**  trans80.9111.5-171.1-49.5-179.9000113.1
463H27.1Very low31Very low167 Ų167138.3 Ų138.377%0.77372%0.721SS**  cis91145.135.8-165.7-59.6000113.1
464V28.7Very low31.2Very low124 Ų124140.7 Ų140.775%0.75273%0.727SS**  trans113.2114.4168-179.60000113.6
465D30.8Very low31.2Very low143 Ų143139.4 Ų139.477%0.76573%0.73SS**  trans-75.1157.2170.9-51.8-95.4000113.2
466S33.5Very low31.1Very low106 Ų106135.3 Ų135.374%0.74172%0.723SS**  trans169.8149.1138.2-98.60000106.5
467E26.9Very low30.7Very low179 Ų179138.5 Ų138.584%0.83674%0.736SS**  cis172.2148.4-8.4-178.5167.3168.900102.5
468A34.8Very low30.4Very low86 Ų86140.6 Ų140.671%0.71175%0.752SS**  trans-75.3174.4178.500000110.4
469P44.1Very low31.5Very low109 Ų109140.2 Ų140.271%0.70876%0.76SS**  -163.8170.870.447.4-26.7000119.1
470R27.9Very low31.4Very low210 Ų210142.8 Ų142.879%0.79277%0.769SS**  trans63.5170.3154.2-46.4-128.1-66.3-98.60.5116.1
471E27.1Very low31Very low158 Ų158144.1 Ų144.174%0.73879%0.786SS**  cis-142.9178.84.7-149150.7-127.800110.9
472E34.8Very low31.1Very low183 Ų183139.9 Ų139.986%0.85577%0.772SS**  trans-117.2137.8-165173.5-175.5-169.700112.6
473E30.3Very low31.2Very low194 Ų194139.2 Ų139.291%0.90777%0.765SS**  trans-164.5167.7164.1-128.9179.3-143.100115.7
474S29.3Very low31Very low119 Ų119136.3 Ų136.383%0.83276%0.763SS**  trans82103.6163.5-158.80000120.6
475S28.5Very low31.2Very low119 Ų119136.9 Ų136.983%0.83276%0.761SS**  trans-85.4159.6176.558.30000116.3
476G28Very low31.3Very low65 Ų65137 Ų13767%0.6776%0.761SS**  129.2124125.600000121.5
477F25.1Very low31Very low196 Ų196137.9 Ų137.986%0.8676%0.761SS**  trans66.899.2146.2-70-79.9000123.7
478C25.6Very low31.8Very low115 Ų115134.5 Ų134.578%0.77776%0.755SS**  74.8161.1113.4-72.20000122.8
479P53.6Low31.4Very low119 Ų119138.8 Ų138.877%0.77376%0.76SS**  trans-130.6-172-144.343.8-28.8000117.5
480H26.8Very low30.6Very low147 Ų147139.2 Ų139.268%0.68177%0.766SS**  trans120.1124.6135.3-162.652.4000118.9N482H480-N482 PolarHBondContact CE1-ND2 3.41Å; H480-N482 PolarHBondContact NE2-ND2 2.87Å; H480-N482 VanDerWaalsContact NE2-ND2 3.16Å
481T27.6Very low30.4Very low134 Ų134134.3 Ų134.382%0.82276%0.764SS**  trans-154155.7158.1-30.10000111.4
482N32Very low30.4Very low100 Ų100132.2 Ų132.254%0.53577%0.767SS.*  trans-116.3177.3-178.5-57.9-79.4000111.3H480H480-N482 PolarHBondContact CE1-ND2 3.41Å; H480-N482 PolarHBondContact NE2-ND2 2.87Å; H480-N482 VanDerWaalsContact NE2-ND2 3.16Å
483H31.9Very low30.2Very low151 Ų151132.2 Ų132.270%0.69977%0.767SS**  -171.7169.969-81.1-81.7000110
484S24.2Very low29.8Very low105 Ų105128.2 Ų128.273%0.73476%0.759SS**  cis-155.5135.441.6-77.90000111
485L32.9Very low29.5Very low136 Ų136129.8 Ų129.871%0.71276%0.756SS**  66.4126.477.9-67.5167.4000112.9
486L31.4Very low30.7Very low145 Ų145128.9 Ų128.976%0.75975%0.748SS**  cis-145.7162.916-85.3161.9000109.5
487V28.6Very low30.5Very low125 Ų125134.7 Ų134.776%0.75876%0.755SS**  74.3136.352.1171.70000113.4
488P43.2Very low30.4Very low109 Ų109133.1 Ų133.171%0.70875%0.75SS**  cis-116.5-171.219.943.3-28.5000114.6
489E27.2Very low30.4Very low175 Ų175131 Ų13182%0.81874%0.736SS**  cis-158.4149.321.7-160.9161.4-139.600115.6
490S26.7Very low29.1Very low119 Ų119133.5 Ų133.583%0.83274%0.738SS**  trans73.7155.1161.777.30000122.1
491S24.2Very low29Very low107 Ų107134.3 Ų134.375%0.74875%0.745SS**  trans-126.1176.3179.559.70000109.7
492S26.9Very low29.3Very low114 Ų114133.6 Ų133.680%0.79774%0.741SS**  -173.6-176.753.6-46.40000111
493Q29.4Very low29.5Very low183 Ų183134.2 Ų134.286%0.85575%0.75SS**  trans-119.5153.1-178.2-158176.731.500112.7
494C21.9Very low29Very low109 Ų109137.7 Ų137.774%0.73676%0.759SS**  trans91138.6149.3-118.10000123.2
495I24.8Very low29.2Very low152 Ų152136.5 Ų136.578%0.77976%0.756SS**  trans75.4170155.93.8-177.1000120.3
496P52.6Low28.8Very low101 Ų101136.9 Ų136.966%0.65676%0.764SS**  -135.7-173.7-109.147.1-29.2000119.2
497K24.7Very low28.4Very low186 Ų186137.1 Ų137.181%0.80977%0.766SS**  trans78.5159.1173.5-56.2177.4-177.2-176.50114.4
498H22.9Very low28.4Very low163 Ų163139.6 Ų139.676%0.75577%0.774SS**  cis-144.6171.814.1-142.4-83.2000113.2
499S25Very low27.5Very low71 Ų71138 Ų13850%0.49777%0.769SS.*  trans-35.8153.5178.9570000123.4
500E25.5Very low27.4Very low172 Ų172138.1 Ų138.180%0.80477%0.77SS**  trans73.9152139.7-76.7158.4-158.900118.5
501I26.4Very low27.3Very low164 Ų164139 Ų13984%0.84177%0.771SS**  cis-140144.448.7-72.4160.4000114.1
502T33.8Very low27.5Very low119 Ų119139.6 Ų139.673%0.7378%0.775SS**  trans-96.4152.8170.4-9.80000112.9
503P34.5Very low27.5Very low112 Ų112143.3 Ų143.373%0.72778%0.78SS**  -142.9157.1129.436.5-23.2000112.7
504Y21.8Very low27.5Very low224 Ų224143.6 Ų143.688%0.87878%0.778SS**  cis-152.3164.2-16.6-154-100000107.3
505A28.4Very low27.7Very low81 Ų81145.9 Ų145.967%0.66978%0.782SS**  trans-95.1153.8-178.500000113.3
506T24.1Very low28.2Very low143 Ų143146.4 Ų146.488%0.87779%0.785SS**  trans-148129.5154.4-31.50000110.4
507D24.6Very low27.4Very low151 Ų151146.4 Ų146.481%0.80779%0.785SS**  trans-65.5152.9160.5-74-71.6000111.1
508L27Very low27.4Very low177 Ų177145.6 Ų145.693%0.92778%0.784SS**  -152.1150128.2-138.774.6000111.7
509A24Very low27.5Very low74 Ų74144.4 Ų144.461%0.61278%0.782SS**  trans-94.7174.7-175.500000112.7
510Q25.7Very low27.5Very low178 Ų178148.7 Ų148.783%0.83279%0.794SS**  trans44114148.2-67.4169.9-15.300116.8
511T25.9Very low27.6Very low138 Ų138149.7 Ų149.785%0.84780%0.795SS**  -171.9145.369.531.10000111.9
512S28.1Very low27.7Very low120 Ų120149.2 Ų149.284%0.83979%0.794SS**  -178.198.7123.5-172.20000109.4
513E26.8Very low28Very low192 Ų192149.8 Ų149.890%0.89780%0.8SS**  trans-87.7133.6173.1-61.8-179.3128.300110.5
514K29.3Very low27.6Very low189 Ų189147.4 Ų147.482%0.82280%0.796SS**  trans-151.880.4152-146.4166.5-174176.10116.1
515L24.8Very low27.9Very low156 Ų156144.3 Ų144.382%0.81779%0.794SS**  trans52.5120136.1-59.9171.1000120.6
516I36.3Very low28.5Very low163 Ų163145.8 Ų145.884%0.83680%0.797SS**  trans-78.9145.1161.6-32.3174.9000111
517P36.5Very low28.8Very low102 Ų102142.7 Ų142.766%0.66279%0.786SS**  trans-141.4163.1130.336.2-21.4000112.8
518H23.8Very low28.9Very low169 Ų169143.9 Ų143.978%0.78279%0.787SS**  cis-163166-6.4-117.612000112.4
519L25.4Very low28.9Very low137 Ų137141.3 Ų141.372%0.71778%0.778SS**  trans43.7108.2154-91.374.6000123.6
520H24.2Very low29.1Very low162 Ų162147.2 Ų147.275%0.7579%0.79SS**  62.2103.497.3-164.5-42000121.4
521K27.9Very low29.1Very low192 Ų192144.2 Ų144.284%0.83579%0.789SS**  -175.9132.2120.9-104.4-176.5-175.9-179.30115.7
522L29.1Very low29.2Very low155 Ų155148.5 Ų148.581%0.81279%0.789SS**  trans-86.3176.7153.4-91.9143.8000109.2
523P40.6Very low29Very low130 Ų130148.2 Ų148.284%0.84479%0.787SS**  cis-130.3178.61737.5-17.7000115.5
524G24.2Very low28.8Very low63 Ų63142 Ų14265%0.64978%0.775SS**  cis169.9-178.6-600000114.6
525D29.1Very low28.7Very low158 Ų158139.7 Ų139.785%0.84578%0.777SS**  trans-82.4178.5174.4-122.5-15.5000111.5
526P41.9Very low28.7Very low112 Ų112140.1 Ų140.173%0.72778%0.779SS**  cis-135.1-162.521.241.2-18.1000113.6
527A29Very low28.2Very low78 Ų78135.5 Ų135.565%0.64577%0.771SS**  cis-163.8142.913.400000116
528Q26.5Very low27.8Very low177 Ų177137.6 Ų137.683%0.82777%0.773SS**  64.6158.9121.1-66.4-80.18.100125.5
529V28Very low27.9Very low123 Ų123137.8 Ų137.875%0.74578%0.778SS**  trans84.266.2157.3-150.70000122.7
530K28.5Very low27.8Very low197 Ų197137.7 Ų137.786%0.85778%0.777SS**  32110.3101.1-167.2-179-170.5172.50122.4
531S25.2Very low28.5Very low115 Ų115135.3 Ų135.380%0.80478%0.776SS**  trans-167.4141.4141.253.70000108.8
532R27.2Very low28.4Very low228 Ų228128.8 Ų128.886%0.8676%0.764SS**  cis83.2113.815.6-162.4177.8-172.1-166.84.5118.1
533S23.8Very low28.4Very low114 Ų114127.2 Ų127.280%0.79776%0.761SS**  trans66.8149.6167.8-64.80000117.1
534G23.7Very low27.7Very low63 Ų63129.5 Ų129.565%0.64976%0.76SS**  cis149.7129.8-13.100000115.6
535T26.1Very low28.1Very low139 Ų139130.5 Ų130.585%0.85376%0.762SS**  trans64.5137.6148.5-30.50000121.3
536L26.5Very low28Very low166 Ų166131.9 Ų131.987%0.86976%0.763SS**  trans109.5132.8138.3-148.5144.5000118.3
537G25Very low27.3Very low65 Ų65133.3 Ų133.367%0.6776%0.762SS**  trans116.556.4173.100000114.7
538Q27.2Very low27.2Very low147 Ų147136.2 Ų136.269%0.68776%0.762SS**  59.3102.673.3-76.9-74.422.300115.8
539I25.8Very low27.1Very low173 Ų173135.3 Ų135.389%0.88776%0.763SS**  trans-131.9136138.6-64.1-174.4000107.6
540L24.9Very low27.1Very low134 Ų134136.4 Ų136.470%0.70276%0.764SS**  trans-133.5166.4-176.4-173.868.4000105.3
541P37.9Very low27.2Very low112 Ų112133.1 Ų133.173%0.72776%0.763SS**  cis-118-176.74.28.219.5000114.2
542G26.3Very low27.4Very low56 Ų56134.9 Ų134.958%0.57776%0.762SS**  cis103.284.5-5.900000116.4
543T29.2Very low27.3Very low122 Ų122130.5 Ų130.575%0.74876%0.756SS**  trans-172.6134.1166.83.40000108.3
544E26.3Very low27.4Very low178 Ų178131.1 Ų131.183%0.83276%0.755SS**  cis-158175.3-22.6-131.4151.9-139.700111.6
545A31.6Very low27.8Very low83 Ų83132.1 Ų132.169%0.68677%0.765SS**  trans-50.7177.6-178.600000116.8
546E26.8Very low27.9Very low187 Ų187131 Ų13187%0.87476%0.763SS**  cis-141.3151.827.3-82.8-177152.400111
547M28.7Very low28.1Very low143 Ų143129 Ų12970%0.70476%0.763SS**  cis69.31128-164.9164.8-177.900115.7
548E25.4Very low28.5Very low139 Ų139137.1 Ų137.165%0.6577%0.773SS**  cis-163.1174.226-153.7173-177.500111.7
549N24.8Very low28.6Very low158 Ų158135.7 Ų135.785%0.84578%0.779SS**  177.9137.5125.6-100.9-76.9000112.6
550L27.5Very low28.9Very low146 Ų146133.6 Ų133.676%0.76477%0.774SS**  trans-111.5159.8167.7-75.8170.4000109.9
551P30.9Very low29.1Very low128 Ų128135.8 Ų135.883%0.83178%0.783SS**  -135.1153.6109.437.6-29.5000114.6
552L30.4Very low28.7Very low151 Ų151136.4 Ų136.479%0.79179%0.785SS**  trans-79.2135.1175.8178.173.6000111.5
553N23.8Very low29Very low137 Ų137142.9 Ų142.973%0.73380%0.8SS**  -178158.6128.5-104-59000117
554T26.9Very low29Very low127 Ų127145.3 Ų145.378%0.77981%0.805SS**  trans52.186.1155.3480000120.4
555G31.4Very low29.1Very low84 Ų84141.8 Ų141.887%0.86680%0.8SS**  41.1113.5118.400000121.5
556S27.9Very low29.4Very low114 Ų114143.9 Ų143.980%0.79781%0.81SS**  trans-147.8120145.4-175.20000109.8R558S556-R558 PolarHBondContact O-N 3.25Å
557S31.3Very low30Very low124 Ų124139.8 Ų139.887%0.86780%0.802SS**  trans-86.4101.5178.9-64.20000109.8S559S557-S559 PolarHBondContact O-N 2.97Å
558R32.8Very low30.5Very low237 Ų237140.5 Ų140.589%0.89481%0.808SS**PPolyproline II helixtrans-69.8117.1170.1-82-177.6162.9-173-6.1110S556S556-R558 PolarHBondContact O-N 3.25Å
559S28.7Very low31.3Very low116 Ų116140.6 Ų140.681%0.81182%0.818SS**PPolyproline II helixtrans-71.5127166.334.90000110.2S557S557-S559 PolarHBondContact O-N 2.97Å
560V33.2Very low31.9Very low129 Ų129137.6 Ų137.678%0.78281%0.809SS**PPolyproline II helixtrans-96.3122168177.80000107.4
561M29.3Very low32.2Very low180 Ų180135.1 Ų135.189%0.88781%0.81SS**PPolyproline II helixtrans-85.9117166.1-73.6-171.7-68.700108.8
562T30.2Very low32.4Very low126 Ų126133.7 Ų133.777%0.77381%0.809SS**PPolyproline II helixtrans-76.8118.6162.825.80000109.2
563Q31.5Very low32.8Very low191 Ų191135.2 Ų135.289%0.89381%0.812SS**PPolyproline II helixtrans-74.5123173.6-172.4176.17.800109.1
564M28.7Very low33.3Very low174 Ų174139.6 Ų139.686%0.85782%0.818SS**PPolyproline II helixtrans-88.1123.7175-69.6-70.3-69.700109.6
565S29.4Very low33.7Very low103 Ų103137.9 Ų137.972%0.7282%0.817SS**PPolyproline II helixtrans-80.5132.8177.950.50000111.9S567S565-S567 PolarHBondContact O-N 2.92Å
566S37.2Very low34.2Very low127 Ų127140.7 Ų140.789%0.88882%0.817SS**  trans-84.188-177.353.40000112.1
567S39.4Very low34.5Very low102 Ų102139.6 Ų139.671%0.71382%0.815SS**  trans-144.356.1-179.254.40000114.4S565S565-S567 PolarHBondContact O-N 2.92Å
568L39.1Very low34.4Very low158 Ų158142.4 Ų142.483%0.82782%0.819SS**  trans-131.436177.4-131.9169.4000114.3
569V42.7Very low34.4Very low141 Ų141133.6 Ų133.686%0.85580%0.803SS**SBendtrans-129.768.2172.6-170.60000110.3
570S37Very low34.5Very low94 Ų94135.3 Ų135.366%0.65781%0.808SS**SBendtrans-1614.8171.1-86.40000115.4
571A34.4Very low34.3Very low95 Ų95132.5 Ų132.579%0.78581%0.805SS**SBendtrans-89.4-12-176.700000114.6
572A35.9Very low35.2Very low98 Ų98130 Ų13081%0.8180%0.803SS**SBendtrans-99.7-1.9-168.400000115.7
573Q38.4Very low35.1Very low183 Ų183135.9 Ų135.986%0.85581%0.81SS**SBendtrans-116.711.6-171.5-77.2-178.7-30.700115.3
574R33Very low34.9Very low228 Ų228130 Ų13086%0.8680%0.801SS**SBendtrans-109.551.5176.2-79.8-171.6-90.4-158.6-6.3113.5
575A35.5Very low34.9Very low92 Ų92128.3 Ų128.376%0.7680%0.801SS**SBendtrans-131.4-2.7177.100000115.1
576V42.7Very low34.6Very low142 Ų142128.4 Ų128.486%0.86180%0.802SS**SBendtrans-136.257-174.7-164.80000111.7
577A33.1Very low34.2Very low92 Ų92129.1 Ų129.176%0.7680%0.795SS**  trans-16374.9169.300000113.4
578L30.6Very low33.5Very low182 Ų182132.6 Ų132.695%0.95380%0.799SS**  trans-173141133.9-125.272.9000110.7
579G31.8Very low32.9Very low53 Ų53130.4 Ų130.455%0.54680%0.796SS.*  trans-121.1174.9171.400000111.8
580T32Very low32.1Very low152 Ų152129.8 Ų129.893%0.93379%0.793SS**  trans68.9137.4-171.876.80000113.8
581G28.9Very low31.5Very low70 Ų70131.2 Ų131.272%0.72280%0.798SS**  cis103.2148.4-3.700000114
582P47.2Very low31Very low127 Ų127131.3 Ų131.383%0.82579%0.791SS**  cis-132.2-167-3.242.2-25.1000114.4
583R27.6Very low30.4Very low249 Ų249133.7 Ų133.794%0.9479%0.79SS**  trans77130.3156.9-158.1-174.8-154.5-120.48.2117.4
584G27.8Very low31.4Very low67 Ų67130.5 Ų130.569%0.69179%0.786SS**  cis146.3129.7-17.100000115.8
585T28.4Very low31Very low139 Ų139126.8 Ų126.885%0.85379%0.788SS**  trans-166.5128.1155.234.10000107.6
586S24.6Very low30.6Very low106 Ų106128.2 Ų128.274%0.74179%0.787SS**  61.1121.176.9-154.60000111.7
587L27.7Very low29.9Very low141 Ų141126 Ų12674%0.73878%0.784SS**  cis-133.8-179.433-138.966000109.9
588E25Very low29.5Very low175 Ų175128.7 Ų128.782%0.81879%0.791SS**  cis-152.61716.3-166.4156.7-147.300109.9
589C25.9Very low29.4Very low113 Ų113128.2 Ų128.276%0.76478%0.784SS**  trans-147.7139.7-170.6-172.90000115.1
590T26.1Very low29Very low128 Ų128132.1 Ų132.179%0.78580%0.798SS**  trans-144.1119.8164.650.20000109.1
591V24.8Very low28.6Very low124 Ų124135 Ų13575%0.75279%0.791SS**  73.3121.866.91700000111.3
592C24.3Very low28.6Very low96 Ų96139 Ų13965%0.64980%0.795SS**  cis-159.2153.51.2-119.80000113.8
593D23.4Very low27.6Very low148 Ų148135.8 Ų135.879%0.79179%0.785SS**  trans45.5153.4144.2-63.1-43.4000126
594P59.5Low27.7Very low117 Ų117130.5 Ų130.576%0.7678%0.781SS**  trans-109157.5-176.241.3-33.5000115.8
595V24.3Very low27.7Very low149 Ų149136.5 Ų136.590%0.90379%0.788SS**  trans-141.8152.1171.4-178.40000112.6
596T26.6Very low27.7Very low123 Ų123134.4 Ų134.476%0.75579%0.785SS**  trans-89.1146.6-170.350.80000117
597A27.9Very low27.9Very low96 Ų96140.9 Ų140.979%0.79379%0.793SS**  trans41.7135.6135.700000122.9
598T25.5Very low28.1Very low147 Ų147142.5 Ų142.590%0.90280%0.796SS**  trans-153.3143.3147.7-35.30000111.2
599E27.4Very low28.2Very low173 Ų173142.3 Ų142.381%0.80880%0.8SS**  trans-86.1163.1175.3-62.3179.291.700113.5
600T24Very low28.4Very low135 Ų135142.5 Ų142.583%0.82879%0.793SS**  149.7158.712647.50000112.8
601R23.8Very low28.4Very low212 Ų212143.4 Ų143.480%0.879%0.794SS**  cis-175.9140.1-30.9178.8-179.6177.9-163.71.1110
602L29.7Very low28.5Very low154 Ų154142 Ų14281%0.80680%0.796SS**  trans67.6139.9165.3-110.658.1000118.8
603G26Very low28.6Very low59 Ų59142.6 Ų142.661%0.60880%0.801SS**  cis156.4165.5-1500000116.2
604T29.4Very low28.9Very low138 Ų138143.7 Ų143.785%0.84781%0.805SS**  trans69.7147.2165.3190000118.1
605K27.3Very low27.3Very low194 Ų194146 Ų14684%0.84381%0.805SS**  cis-155.1110.316-164.9171-177.5176.90116.3
606A27.7Very low27.3Very low95 Ų95144.5 Ų144.579%0.78580%0.797SS**  trans28.6128.8139.100000125.1
607R30.4Very low27.3Very low242 Ų242144.1 Ų144.191%0.91380%0.799SS**  trans-168.594.8133.1-102.2-179.2-179.7-169.8-0.4107.7
608Q30Very low27.1Very low174 Ų174144.6 Ų144.681%0.81380%0.802SS**  76.5101.780-171.3-178.620.300114.8
609L27.6Very low27.3Very low172 Ų172145.6 Ų145.690%0.90180%0.802SS**  trans-153.7151.6137.6-103.6174000108.9
610N29.7Very low27.1Very low116 Ų116142 Ų14262%0.6280%0.795SS**  trans-116.1168-178.7-76.159.4000107.5
611D27.6Very low27Very low147 Ų147141 Ų14179%0.78679%0.785SS**  cis-158.4169.7-14.5-96.7-34.2000103.7
612A25.4Very low27.1Very low96 Ų96139.4 Ų139.479%0.79378%0.784SS**  cis-151.5162.821.700000111.6
613S27.4Very low26.9Very low108 Ų108137.7 Ų137.776%0.75578%0.78SS**  trans-155139.4165.1175.30000109.1
614I28.9Very low26.9Very low171 Ų171142.1 Ų142.188%0.87779%0.789SS**  trans-138.1130.2166.5-66.3-173.4000109.3
615Q27.1Very low26.7Very low166 Ų166140.7 Ų140.778%0.77678%0.78SS**  trans-99146.4173.1-81.5-178.5-30.600112.1
616T23.7Very low26.5Very low117 Ų117140.1 Ų140.172%0.71878%0.78SS**  trans32.6112.2131.3-23.90000120.7
617S26.5Very low26.3Very low115 Ų115138.7 Ų138.780%0.80478%0.775SS**  trans74.2168.513574.40000123.2
618A23.4Very low26.3Very low105 Ų105133.6 Ų133.687%0.86877%0.773SS**  trans85.1159.4172.100000118.7
619L30.6Very low26.4Very low169 Ų169131.6 Ų131.689%0.88576%0.764SS**  trans-146.4131.3-149.5169.9114.3000113
620S22.6Very low26.8Very low97 Ų97128.7 Ų128.768%0.67876%0.755SS**  trans-175.6139.9158.7-99.30000118.1
621N23.1Very low26.7Very low114 Ų114129.8 Ų129.861%0.6176%0.76SS**  trans68.9129.7141.1-56.7-26.9000119.6
622K25.9Very low26.7Very low179 Ų179129.8 Ų129.878%0.77877%0.766SS**  cis90.8139.646-71.1166.7-157.1146.80113.4
623T24.3Very low27.1Very low117 Ų117135 Ų13572%0.71877%0.771SS**  cis-173.3148.1-5.4-100.90000113.5
624L25.8Very low27.2Very low152 Ų152134.8 Ų134.880%0.79677%0.769SS**  trans82.5163.5156.6-132.174.6000124.1
625T24.8Very low27.2Very low108 Ų108133.1 Ų133.166%0.66377%0.767SS**  trans87.2140.3165.867.90000118
626H24.6Very low27.3Very low182 Ų182130 Ų13084%0.84376%0.763SS**  cis-149.2160.2-2.3-109.4-59.4000110.6
627G23.7Very low27.7Very low66 Ų66132.5 Ų132.568%0.6877%0.771SS**  trans-90.2-174.1163.200000112.9
628P30.7Very low27.8Very low134 Ų134134.3 Ų134.387%0.8777%0.772SS**  cis-135.6-174.227.943.1-25.9000116.5
629Q30.1Very low28.1Very low133 Ų133134.6 Ų134.662%0.62177%0.768SS**  trans-81.5165.4173.3-138.6-159.885.200112.1
630P36.8Very low28Very low111 Ų111130.2 Ų130.272%0.72176%0.763SS**  -152.3147.882.938.9-19.6000118.8
631L28.4Very low28.4Very low139 Ų139136 Ų13673%0.72878%0.776SS**  trans44.9115.7138.2-57.4174.7000122
632T27.2Very low28.6Very low147 Ų147136.6 Ų136.690%0.90279%0.789SS**  -165.5155.1110.311.10000112.5
633K33.2Very low28.7Very low206 Ų206132.5 Ų132.590%0.89678%0.783SS**  trans-94.9160.9170-58.1-176.9179.4-172.80108.2
634S31.1Very low28.7Very low103 Ų103135 Ų13572%0.7279%0.791SS**  cis-162.4155.537.462.10000111.5
635V28.1Very low28.8Very low136 Ų136132.8 Ų132.882%0.82479%0.786SS**  47127.4101.3-172.80000113.8
636S30Very low29.3Very low100 Ų100133.5 Ų133.570%0.69979%0.793SS**  cis-156.1154.725.347.90000116.6
637L31Very low29.7Very low169 Ų169134.2 Ų134.289%0.88580%0.799SS**  trans40.8132.9137.5-66.3171.5000124.8
638D28.8Very low29.8Very low153 Ų153134.5 Ų134.582%0.81880%0.802SS**  trans108.1147.3131.4-152.831000122
639S30Very low29.8Very low112 Ų112135.2 Ų135.278%0.78380%0.804SS**  trans69.5137.7179.574.60000117.4
640G27.1Very low29.6Very low76 Ų76134.4 Ų134.478%0.78481%0.812SS**  cis-173167.5-5.300000113.6
641F32.6Very low29.1Very low219 Ų219138.8 Ų138.896%0.96182%0.822SS**  trans-85.5161.8176-77.5-92.5000112.8
642S26Very low29.2Very low126 Ų126136.5 Ų136.588%0.88182%0.823SS**  trans-144.4151.2152.7-168.50000110.3
643S28.7Very low29.5Very low94 Ų94137.1 Ų137.166%0.65782%0.82SS**  trans-119.9168-174.161.30000112.1
644I25.2Very low30Very low170 Ų170132.9 Ų132.987%0.87281%0.813SS**  trans-132.6136.5158.2-62.5-176.5000107.9
645C27.3Very low30Very low104 Ų104131.7 Ų131.770%0.70381%0.81SS**  trans-106.6162.3-176.3-53.10000111.9
646P34.3Very low30.2Very low123 Ų123133.6 Ų133.680%0.79981%0.809SS**  trans-103.5114.8167.634.7-26.3000112.6
647M32.9Very low30.2Very low197 Ų197133.7 Ų133.797%0.9781%0.809SS**  trans-171.7142.5144.8-150.264.4175.600111.3
648G27.2Very low30.4Very low73 Ų73131.2 Ų131.275%0.75380%0.804SS**  trans104.6140.6158.300000117.4
649T29.3Very low30.5Very low148 Ų148131.8 Ų131.891%0.90881%0.806SS**  trans-83.7151.2178.241.10000113.1
650C26.8Very low30.5Very low117 Ų117131.2 Ų131.279%0.79180%0.801SS**  trans-97.4128.8179-64.80000113.6
651H26.4Very low30.8Very low202 Ų202137 Ų13794%0.93580%0.8SS**  trans-134.2163.1144.5-80-36.8000108.9
652A30.8Very low30.8Very low91 Ų91133.7 Ų133.775%0.75279%0.787SS**  trans-95.5143.9-145.400000117.3
653I33.1Very low31Very low160 Ų160136 Ų13682%0.82178%0.784SS**  32.8132.6125.5-67.9173.5000117.3
654P42.6Very low31.3Very low117 Ų117140.4 Ų140.476%0.7679%0.794SS**  cis-146.6-176.538.934.3-10.9000119.2
655A31.3Very low32.8Very low79 Ų79137.2 Ų137.265%0.65378%0.784SS**  trans10398.2136.600000123.6
656H32.7Very low33Very low175 Ų175141.2 Ų141.281%0.8179%0.792SS**  68.6116.7122.5-66.2-65.6000125.8
657C30Very low32.9Very low102 Ų102140.5 Ų140.569%0.68979%0.789SS**  83.1101.4123.6-64.20000125.2
658C34.3Very low32.9Very low117 Ų117139.7 Ų139.779%0.79178%0.782SS**  71.3163.6117.7-58.80000124.4
659I31.1Very low33.1Very low166 Ų166139 Ų13985%0.85178%0.775SS**  trans84.3147.6166.7-50.3175.2000115.8
660C30.9Very low33.2Very low100 Ų100140 Ų14068%0.67677%0.769SS**  -171.6139.7-51.7-98.50000111.6
661Y33.4Very low33.4Very low198 Ų198144.6 Ų144.678%0.77677%0.77SS**  trans42.9144.5148.7-72.9-83.2000126.7
662H33.6Very low34.4Very low148 Ų148144 Ų14469%0.68577%0.768SS**  trans94.4114.3145.4-64.6-50.8000125
663H29Very low34.8Very low174 Ų174144.9 Ų144.981%0.80677%0.768SS**  trans62.1147.5134.4-56.7-58000127.1
664H34.6Very low35.2Very low187 Ų187143.2 Ų143.287%0.86677%0.768SS**  trans-82.7-174.3171.6-85.5-47.5000113.7
665P57.3Low34.5Very low103 Ų103140.8 Ų140.867%0.66977%0.765SS**  cis-134.7-175.1-3837.2-20000112.9
666H31.3Very low35.2Very low188 Ų188142 Ų14287%0.8777%0.765SS**  trans-179.1178.9140.8-103.6-64.1000113.6
667C31.6Very low35.1Very low108 Ų108141.9 Ų141.973%0.7377%0.765SS**  trans-129.3160.5-163.5-52.70000115.1
668H34Very low35.4Very low181 Ų181142.8 Ų142.884%0.83877%0.77SS**  trans40.1133.9156.9-83.1-74.6000121.7
669G30.6Very low35.3Very low59 Ų59141.8 Ų141.861%0.60877%0.765SS**  trans151.590.7140.800000119.6
670E31Very low35.5Very low167 Ų167140.1 Ų140.178%0.7876%0.762SS**  trans67.8142.2149.1-130.7-169.1163.600122
671R32Very low35.4Very low215 Ų215140.3 Ų140.381%0.81176%0.763SS**SBendtrans64.9176.5171.1-71.1-174.3176.8-99-6.4117.2S673R671-S673 PolarHBondContact O-N 2.81Å
672Q47.3Very low35.9Very low189 Ų189142 Ų14288%0.88377%0.768SS**SBendtrans-77.1109.3-164.6-70.6163.4-20.500110
673S38.9Very low36.1Very low109 Ų109142.4 Ų142.476%0.76277%0.77SS**SBendtrans74.7124.7-164.9-33.20000113.6R671R671-S673 PolarHBondContact O-N 2.81Å
674P42.9Very low36.7Very low125 Ų125138.1 Ų138.181%0.81276%0.758SS**  cis-123.2148.2-28.636.8-23.1000112.6
675G26.4Very low36.8Very low67 Ų67137.3 Ų137.369%0.69176%0.76SS**  trans-165.3162177.500000114.4
676P46.2Very low36.2Very low103 Ų103137.3 Ų137.367%0.66976%0.761SS**  trans-127.2149.6-147.839.2-24.7000117
677E31.4Very low36.9Very low173 Ų173133.1 Ų133.181%0.80875%0.753SS**  -158153.8127.9-132.7-175.1-162.200108.7
678P34.8Very low37.5Very low121 Ų121135 Ų13579%0.78676%0.755SS**  -138.1163.99239.3-27.3000115.5
679S33.8Very low38.1Very low97 Ų97131 Ų13168%0.67874%0.743SS**  trans-44.4144.2-177.649.10000118.1C681S679-C681 PolarHBondContact O-N 2.86Å
680V34.4Very low39.1Very low131 Ų131130 Ų13079%0.79473%0.733SS**  trans-67.1116.6163.2175.10000110.1R682V680-R682 HydrophobicContact CG1-CG 4.37Å
681C29.2Very low40.2Very low104 Ų104128.1 Ų128.170%0.70372%0.724SS**  trans-85.6108.5166.4-171.20000110.4S679 H683S679-C681 PolarHBondContact O-N 2.86Å; C681-H683 PolarHBondContact O-N 3.36Å
682R44.4Very low41.1Very low232 Ų232124.8 Ų124.888%0.87572%0.718SS**  trans-88.670.8172.6-101.4-171.5169.2-169.3-2.5111.2V680V680-R682 HydrophobicContact CG1-CG 4.37Å
683H37.8Very low41.8Very low158 Ų158122.1 Ų122.173%0.73171%0.705SS**  trans-150.6143.3166.8-77.8-68.4000109.3C681C681-H683 PolarHBondContact O-N 3.36Å
684C39.9Very low43.2Very low83 Ų83119.6 Ų119.656%0.56169%0.691SS**  cis-152.8130.3-9.7-131.20000108.4
685L38.1Very low44.3Very low170 Ų170118.9 Ų118.989%0.8968%0.676SS**SBendtrans-100.60.7176.1-76.2173000113.5S687L685-S687 VanDerWaalsContact C-N 3.33Å; L685-S687 PolarHBondContact O-N 3.35Å
686C44.4Very low46.2Very low104 Ų104122.1 Ų122.170%0.70367%0.672SS**THydrogen-bonded Turntrans-84.53.1-170.2-49.30000115.1
687S46.3Very low47.6Very low99 Ų99122.4 Ų122.469%0.69267%0.666SS**THydrogen-bonded Turntrans-101.8-8-170.2-55.70000115.1L685L685-S687 VanDerWaalsContact C-N 3.33Å; L685-S687 PolarHBondContact O-N 3.35Å
688L43.5Very low49.5Very low149 Ų149118.5 Ų118.578%0.7865%0.654SS**SBendtrans-92.7-36.8-175.2-167.163.9000113.1
689T47.6Very low51.2Low95 Ų95116.4 Ų116.458%0.58364%0.639SS**Hα-helixtrans-65.4-48.5178.829.90000112.6H691 Q692 E693T689-H691 VanDerWaalsContact C-N 3.26Å; T689-H691 PolarHBondContact O-N 3.45Å; T689-Q692 PolarHBondContact O-N 3.32Å; T689-E693 PolarHBondContact O-N 3.09Å
690G50.9Low53Low38 Ų38114.8 Ų114.839%0.39262%0.622SS.*Hα-helixtrans-60.4-29.9-175.400000114.6A694G690-A694 WeakPolarHBondContact O-CB 3.45Å; G690-A694 PolarHBondContact O-N 3.46Å
691H53.9Low55.1Low128 Ų128113.2 Ų113.259%0.59360%0.604SS**Hα-helixtrans-68.5-42.2173.7-174-55.8000111.6T689 Q695T689-H691 VanDerWaalsContact C-N 3.26Å; T689-H691 PolarHBondContact O-N 3.45Å; H691-Q695 PolarHBondContact CE1-OE1 2.94Å; H691-Q695 WeakPolarHBondContact O-CB 3.36Å; H691-Q695 PolarHBondContact O-N 3.42Å
692Q51.9Low57.1Low146 Ų146110.6 Ų110.668%0.68259%0.59SS**Hα-helixtrans-71.6-35.6-177.7-162.4166.824.900111.3T689 Q695 F696T689-Q692 PolarHBondContact O-N 3.32Å; Q692-Q695 PolarHBondContact O-N 3.05Å; Q692-F696 WeakPolarHBondContact O-CB 3.48Å; Q692-F696 PolarHBondContact O-N 3.45Å
693E60.8Low58.1Low133 Ų133104.2 Ų104.262%0.62157%0.573SS**Hα-helixtrans-68.6-44.7174.8-164.9161.5-139.700112.1T689 Q695 F696 M697T689-E693 PolarHBondContact O-N 3.09Å; E693-Q695 PolarHBondContact O-N 2.89Å; E693-F696 PolarHBondContact O-N 3.38Å; E693-M697 WeakPolarHBondContact O-CG 3.46Å; E693-M697 PolarHBondContact O-N 2.82Å
694A68.8Low59.5Low56 Ų56100.3 Ų100.346%0.46356%0.555SS.*Hα-helixtrans-64.6-36.4172.800000112.9G690 M697 T698G690-A694 WeakPolarHBondContact O-CB 3.45Å; G690-A694 PolarHBondContact O-N 3.46Å; A694-M697 PolarHBondContact O-N 3.24Å; A694-T698 WeakPolarHBondContact O-CB 3.38Å; A694-T698 WeakPolarHBondContact O-CG2 3.3Å; A694-T698 PolarHBondContact O-N 3.46Å; A694-T698 PolarHBondContact O-OG1 3.46Å
695Q65.9Low60.8Low109 Ų10999.2 Ų99.251%0.50954%0.544SS..Hα-helixtrans-70.7-34.3176-167168.618.500112.1H691 Q692 E693 T698 T699H691-Q695 PolarHBondContact CE1-OE1 2.94Å; H691-Q695 WeakPolarHBondContact O-CB 3.36Å; H691-Q695 PolarHBondContact O-N 3.42Å; Q692-Q695 PolarHBondContact O-N 3.05Å; E693-Q695 PolarHBondContact O-N 2.89Å; Q695-T698 WeakPolarHBondContact CA-OG1 3.39Å; Q695-T698 PolarHBondContact O-OG1 3.39Å; Q695-T699 WeakPolarHBondContact O-CB 3.17Å; Q695-T699 PolarHBondContact O-N 3.4Å; Q695-T699 VanDerWaalsContact O-N 3.15Å; Q695-T699 PolarHBondContact O-OG1 2.94Å
696F67.1Low62.5Low136 Ų13693.3 Ų93.360%0.59652%0.515SS*.Hα-helixtrans-66.5-46.4170.4-178.2-111.5000111.4Q692 E693 T699 L700Q692-F696 WeakPolarHBondContact O-CB 3.48Å; Q692-F696 PolarHBondContact O-N 3.45Å; E693-F696 PolarHBondContact O-N 3.38Å; F696-T699 PolarHBondContact O-N 2.93Å; F696-L700 HydrophobicContact CD1-CD1 4.04Å; F696-L700 HydrophobicContact CE1-CD1 3.44Å; F696-L700 VanDerWaalsContact CE1-CD1 3.44Å; F696-L700 HydrophobicContact CE2-CD1 4.32Å; F696-L700 HydrophobicContact CZ-CD1 3.6Å; F696-L700 HydrophobicContact CZ-CG 4.37Å; F696-L700 PolarHBondContact O-N 3.38Å
697M73.8Confident63.4Low109 Ų10991.7 Ų91.754%0.53750%0.502SS..Hα-helixtrans-66.7-39.1-179.8-71.9-916500113.3E693 A694 T699 L700 K701E693-M697 WeakPolarHBondContact O-CG 3.46Å; E693-M697 PolarHBondContact O-N 2.82Å; A694-M697 PolarHBondContact O-N 3.24Å; M697-T699 VanDerWaalsContact C-N 3.33Å; M697-L700 HydrophobicContact CE-CB 4.06Å; M697-L700 HydrophobicContact CE-CD1 3.69Å; M697-L700 PolarHBondContact O-N 2.73Å; M697-K701 WeakPolarHBondContact O-CB 3.42Å; M697-K701 PolarHBondContact O-N 2.83Å
698T72Confident64.3Low91 Ų9188.5 Ų88.556%0.55848%0.478SS*.Hα-helixtrans-65.8-35.4172.445.10000112.3A694 Q695 A702A694-T698 WeakPolarHBondContact O-CB 3.38Å; A694-T698 WeakPolarHBondContact O-CG2 3.3Å; A694-T698 PolarHBondContact O-N 3.46Å; A694-T698 PolarHBondContact O-OG1 3.46Å; Q695-T698 WeakPolarHBondContact CA-OG1 3.39Å; Q695-T698 PolarHBondContact O-OG1 3.39Å; T698-A702 WeakPolarHBondContact O-CB 3.33Å; T698-A702 PolarHBondContact O-N 3.18Å
699T71.3Confident65.4Low77 Ų7788.7 Ų88.747%0.47247%0.468SS..Hα-helixtrans-68.2-41.5173.7-55.10000111.8Q695 F696 M697 A702 L703Q695-T699 WeakPolarHBondContact O-CB 3.17Å; Q695-T699 PolarHBondContact O-N 3.4Å; Q695-T699 VanDerWaalsContact O-N 3.15Å; Q695-T699 PolarHBondContact O-OG1 2.94Å; F696-T699 PolarHBondContact O-N 2.93Å; M697-T699 VanDerWaalsContact C-N 3.33Å; T699-A702 PolarHBondContact O-N 3.45Å; T699-L703 HydrophobicContact CG2-CD1 4.3Å; T699-L703 WeakPolarHBondContact O-CG 3.22Å; T699-L703 PolarHBondContact O-N 3.04Å
700L71.6Confident66Low63 Ų6389.6 Ų89.633%0.3347%0.466SS..Hα-helixtrans-64.1-43.3174.9-99.6170.1000112.2F696 M697 L703 Q704F696-L700 HydrophobicContact CD1-CD1 4.04Å; F696-L700 HydrophobicContact CE1-CD1 3.44Å; F696-L700 VanDerWaalsContact CE1-CD1 3.44Å; F696-L700 HydrophobicContact CE2-CD1 4.32Å; F696-L700 HydrophobicContact CZ-CD1 3.6Å; F696-L700 HydrophobicContact CZ-CG 4.37Å; F696-L700 PolarHBondContact O-N 3.38Å; M697-L700 HydrophobicContact CE-CB 4.06Å; M697-L700 HydrophobicContact CE-CD1 3.69Å; M697-L700 PolarHBondContact O-N 2.73Å; L700-L703 PolarHBondContact O-N 3.2Å; L700-Q704 PolarHBondContact O-N 3.44Å
701K76.9Confident66.5Low97 Ų9793.8 Ų93.842%0.42248%0.479SS..Hα-helixtrans-62.7-42.6175.3-174.6165.5-178.7165.80111.5M697 L703 Q704 D705M697-K701 WeakPolarHBondContact O-CB 3.42Å; M697-K701 PolarHBondContact O-N 2.83Å; K701-L703 VanDerWaalsContact C-N 3.31Å; K701-L703 PolarHBondContact O-N 3.34Å; K701-Q704 PolarHBondContact O-N 3.25Å; K701-D705 WeakPolarHBondContact O-CB 3.23Å; K701-D705 PolarHBondContact O-N 3.39Å
702A71.6Confident66.7Low49 Ų4989.1 Ų89.141%0.40546%0.46SS..Hα-helixtrans-64-33.9174.900000113.2T698 T699 T706T698-A702 WeakPolarHBondContact O-CB 3.33Å; T698-A702 PolarHBondContact O-N 3.18Å; T699-A702 PolarHBondContact O-N 3.45Å; A702-T706 VanDerWaalsContact O-CB 3.24Å; A702-T706 WeakPolarHBondContact O-CB 3.49Å; A702-T706 PolarHBondContact O-N 3.19Å; A702-T706 PolarHBondContact O-OG1 2.84Å
703L65.8Low67.3Low99 Ų9985 Ų8552%0.51845%0.448SS..Hα-helixtrans-70.7-39.6172.8-81.4164.6000112.3T699 L700 K701 T706 T707T699-L703 HydrophobicContact CG2-CD1 4.3Å; T699-L703 WeakPolarHBondContact O-CG 3.22Å; T699-L703 PolarHBondContact O-N 3.04Å; L700-L703 PolarHBondContact O-N 3.2Å; K701-L703 VanDerWaalsContact C-N 3.31Å; K701-L703 PolarHBondContact O-N 3.34Å; L703-T706 PolarHBondContact O-N 3.35Å; L703-T707 WeakPolarHBondContact O-CB 3.4Å; L703-T707 WeakPolarHBondContact O-CG2 3.34Å; L703-T707 PolarHBondContact O-N 3.33Å; L703-T707 PolarHBondContact O-OG1 3Å
704Q67.3Low67.6Low75 Ų7582.2 Ų82.235%0.3544%0.442SS..Hα-helixtrans-63.9-52.5172.2-77.2-176.7-47.400111.1L700 K701 T706 T707 V708L700-Q704 PolarHBondContact O-N 3.44Å; K701-Q704 PolarHBondContact O-N 3.25Å; Q704-T706 PolarHBondContact O-N 2.87Å; Q704-T707 PolarHBondContact O-N 3.05Å; Q704-T707 PolarHBondContact O-OG1 3.08Å; Q704-V708 WeakPolarHBondContact O-CB 3.44Å; Q704-V708 VanDerWaalsContact O-CG2 3.28Å; Q704-V708 WeakPolarHBondContact O-CG2 3.4Å; Q704-V708 PolarHBondContact O-N 3.26Å
705D68.2Low68.1Low61 Ų6182.6 Ų82.633%0.32644%0.439SS..Hα-helixtrans-55.3-38176.5-74.3-2.9000111.9K701 R709K701-D705 WeakPolarHBondContact O-CB 3.23Å; K701-D705 PolarHBondContact O-N 3.39Å; D705-R709 WeakPolarHBondContact O-CB 3.49Å; D705-R709 PolarHBondContact O-N 3.15Å
706T72.6Confident68.9Low45 Ų4577.9 Ų77.928%0.27642%0.418SS..Hα-helixtrans-74.6-46.8179.8-59.30000112.4A702 L703 Q704 R709 E710A702-T706 VanDerWaalsContact O-CB 3.24Å; A702-T706 WeakPolarHBondContact O-CB 3.49Å; A702-T706 PolarHBondContact O-N 3.19Å; A702-T706 PolarHBondContact O-OG1 2.84Å; L703-T706 PolarHBondContact O-N 3.35Å; Q704-T706 PolarHBondContact O-N 2.87Å; T706-R709 PolarHBondContact O-N 3.37Å; T706-R709 PolarHBondContact OG1-NH2 3.05Å; T706-R709 VanDerWaalsContact OG1-NH2 3.07Å; T706-E710 PolarHBondContact O-N 3.05Å
707T63.2Low69.8Low70 Ų7077.9 Ų77.943%0.42942%0.419SS..Hα-helixtrans-68.1-38.4178.149.80000112L703 Q704 E710 L711L703-T707 WeakPolarHBondContact O-CB 3.4Å; L703-T707 WeakPolarHBondContact O-CG2 3.34Å; L703-T707 PolarHBondContact O-N 3.33Å; L703-T707 PolarHBondContact O-OG1 3Å; Q704-T707 PolarHBondContact O-N 3.05Å; Q704-T707 PolarHBondContact O-OG1 3.08Å; T707-E710 PolarHBondContact O-N 3.01Å; T707-L711 VanDerWaalsContact O-CB 3.28Å; T707-L711 WeakPolarHBondContact O-CB 3.41Å; T707-L711 WeakPolarHBondContact O-CG 3.33Å; T707-L711 PolarHBondContact O-N 3.04Å
708V65.2Low70.4Confident33 Ų3378.7 Ų78.720%0.242%0.421CS..Hα-helixtrans-60.9-48.5170.9166.10000110.6Q704 E710 L711 C712 I791 L795Q704-V708 WeakPolarHBondContact O-CB 3.44Å; Q704-V708 VanDerWaalsContact O-CG2 3.28Å; Q704-V708 WeakPolarHBondContact O-CG2 3.4Å; Q704-V708 PolarHBondContact O-N 3.26Å; V708-E710 VanDerWaalsContact C-N 3.35Å; V708-E710 PolarHBondContact O-N 3.36Å; V708-L711 PolarHBondContact O-N 3.45Å; V708-C712 VanDerWaalsContact O-CB 3.23Å; V708-C712 WeakPolarHBondContact O-CB 3.45Å; V708-C712 PolarHBondContact O-N 3.18Å; V708-C712 PolarHBondContact O-SG 2.89Å; V708-I791 HydrophobicContact CG1-CG2 3.5Å; V708-L795 HydrophobicContact CB-CD1 4.48Å; V708-L795 HydrophobicContact CG1-CD1 4.3Å; V708-L795 HydrophobicContact CG2-CD1 4.28Å
709R66.6Low71.3Confident152 Ų15275 Ų7557%0.57440%0.398SS*.Hα-helixtrans-58.2-44.6177.5176.6174.160.3-136.8-8.6112.2D705 T706 S713D705-R709 WeakPolarHBondContact O-CB 3.49Å; D705-R709 PolarHBondContact O-N 3.15Å; T706-R709 PolarHBondContact O-N 3.37Å; T706-R709 PolarHBondContact OG1-NH2 3.05Å; T706-R709 VanDerWaalsContact OG1-NH2 3.07Å; R709-S713 VanDerWaalsContact O-CB 3.24Å; R709-S713 WeakPolarHBondContact O-CB 3.41Å; R709-S713 PolarHBondContact O-N 2.84Å; R709-S713 PolarHBondContact O-OG 3.35Å
710E61.5Low72.2Confident114 Ų11474.8 Ų74.853%0.53339%0.392SS..Hα-helixtrans-70.5-45.2-179.6-73.9176.9-165.900112.2T706 T707 V708 C712 S713 C714T706-E710 PolarHBondContact O-N 3.05Å; T707-E710 PolarHBondContact O-N 3.01Å; V708-E710 VanDerWaalsContact C-N 3.35Å; V708-E710 PolarHBondContact O-N 3.36Å; E710-C712 PolarHBondContact O-N 3.29Å; E710-S713 WeakPolarHBondContact CA-OG 3.36Å; E710-S713 PolarHBondContact O-N 2.97Å; E710-S713 PolarHBondContact O-OG 2.95Å; E710-C714 PolarHBondContact O-N 3.22Å
711L60.1Low73.1Confident127 Ų12773.5 Ų73.567%0.66539%0.39SS*.Hα-helixtrans-66.5-35.8177.9-68.6169.8000113.1T707 V708T707-L711 VanDerWaalsContact O-CB 3.28Å; T707-L711 WeakPolarHBondContact O-CB 3.41Å; T707-L711 WeakPolarHBondContact O-CG 3.33Å; T707-L711 PolarHBondContact O-N 3.04Å; V708-L711 PolarHBondContact O-N 3.45Å
712C58.8Low73.8Confident29 Ų2973.4 Ų73.420%0.19639%0.392CS..Hα-helixtrans-58.5-50.6165-80.10000110.7V708 E710 C714 V716 I791V708-C712 VanDerWaalsContact O-CB 3.23Å; V708-C712 WeakPolarHBondContact O-CB 3.45Å; V708-C712 PolarHBondContact O-N 3.18Å; V708-C712 PolarHBondContact O-SG 2.89Å; E710-C712 PolarHBondContact O-N 3.29Å; C712-C714 PolarHBondContact O-N 3.06Å; C712-V716 VanDerWaalsContact O-CB 3.24Å; C712-V716 WeakPolarHBondContact O-CB 3.49Å; C712-V716 VanDerWaalsContact O-CG2 3.27Å; C712-V716 WeakPolarHBondContact O-CG2 3.42Å; C712-V716 PolarHBondContact O-N 3.46Å; C712-I791 VanDerWaalsContact SG-CD1 3.52Å; C712-I791 WeakPolarHBondContact SG-CG2 3.34Å
713S65.3Low74.9Confident60 Ų6074 Ų7442%0.4239%0.386SS..Hα-helixtrans-61.6-42.7-167.371.60000113.2R709 E710 H717R709-S713 VanDerWaalsContact O-CB 3.24Å; R709-S713 WeakPolarHBondContact O-CB 3.41Å; R709-S713 PolarHBondContact O-N 2.84Å; R709-S713 PolarHBondContact O-OG 3.35Å; E710-S713 WeakPolarHBondContact CA-OG 3.36Å; E710-S713 PolarHBondContact O-N 2.97Å; E710-S713 PolarHBondContact O-OG 2.95Å; S713-H717 WeakPolarHBondContact O-CB 3.46Å; S713-H717 PolarHBondContact O-N 2.97Å
714C66.4Low76.2Confident75 Ų7573 Ų7351%0.50738%0.384SS..Hα-helixtrans-66.5-65.6-178.7-60.20000111.7E710 C712 V716 H717 E718E710-C714 PolarHBondContact O-N 3.22Å; C712-C714 PolarHBondContact O-N 3.06Å; C714-V716 VanDerWaalsContact C-N 3.34Å; C714-V716 PolarHBondContact O-N 3.11Å; C714-H717 PolarHBondContact O-N 3.17Å; C714-E718 WeakPolarHBondContact O-CB 3.35Å; C714-E718 VanDerWaalsContact O-CG 3.32Å; C714-E718 WeakPolarHBondContact O-CG 3.19Å; C714-E718 PolarHBondContact O-N 3.43Å
715T78.1Confident77.5Confident63 Ų6374.1 Ų74.139%0.38739%0.391SS..Hα-helixtrans-62.9-38.2-170.8-39.90000112.9M719 I787T715-M719 HydrophobicContact CG2-SD 4.39Å; T715-M719 VanDerWaalsContact O-CG 3.32Å; T715-M719 WeakPolarHBondContact O-CG 3.29Å; T715-M719 PolarHBondContact O-N 2.85Å; T715-I787 HydrophobicContact CG2-CD1 4.44Å
716V83.9Confident78.8Confident11 Ų1171.7 Ų71.77%0.06738%0.379CS..Hα-helixtrans-71.4-43178.71780000110.4C712 C714 M719 E720 A784 I787 R788C712-V716 VanDerWaalsContact O-CB 3.24Å; C712-V716 WeakPolarHBondContact O-CB 3.49Å; C712-V716 VanDerWaalsContact O-CG2 3.27Å; C712-V716 WeakPolarHBondContact O-CG2 3.42Å; C712-V716 PolarHBondContact O-N 3.46Å; C714-V716 VanDerWaalsContact C-N 3.34Å; C714-V716 PolarHBondContact O-N 3.11Å; V716-M719 PolarHBondContact O-N 2.9Å; V716-E720 WeakPolarHBondContact O-CB 3.47Å; V716-E720 PolarHBondContact O-N 2.91Å; V716-A784 HydrophobicContact CG1-CB 4.36Å; V716-I787 HydrophobicContact CG2-CB 4.2Å; V716-I787 HydrophobicContact CG2-CG2 3.61Å; V716-R788 HydrophobicContact CB-CG 4.48Å; V716-R788 HydrophobicContact CG1-CG 3.7Å; V716-R788 VanDerWaalsContact CG1-NH1 3.3Å; V716-R788 HydrophobicContact CG2-CG 3.96Å
717H85.5Confident79.8Confident136 Ų13672.8 Ų72.863%0.6338%0.381SS*.Hα-helixtrans-67.3-38179.4-174.559.5000112.2S713 C714 M719 E720 A721S713-H717 WeakPolarHBondContact O-CB 3.46Å; S713-H717 PolarHBondContact O-N 2.97Å; C714-H717 PolarHBondContact O-N 3.17Å; H717-M719 VanDerWaalsContact C-N 3.32Å; H717-M719 PolarHBondContact O-N 3.16Å; H717-E720 PolarHBondContact O-N 3.22Å; H717-A721 WeakPolarHBondContact O-CB 3.26Å; H717-A721 PolarHBondContact O-N 2.95Å
718E87.3Confident81.2Confident125 Ų12572.5 Ų72.558%0.58438%0.382SS*.Hα-helixtrans-59.1-42.8173.1-74.5170.7165.400111.8C714 M722C714-E718 WeakPolarHBondContact O-CB 3.35Å; C714-E718 VanDerWaalsContact O-CG 3.32Å; C714-E718 WeakPolarHBondContact O-CG 3.19Å; C714-E718 PolarHBondContact O-N 3.43Å; E718-M722 WeakPolarHBondContact O-CB 3.11Å; E718-M722 PolarHBondContact O-N 3.21Å
719M90.2Very high82.7Confident15 Ų1575.2 Ų75.27%0.07439%0.391CS..Hα-helixtrans-73.1-34178.1-70.1174.755.800113T715 V716 H717 M722 K723 R783 A784 I787T715-M719 HydrophobicContact CG2-SD 4.39Å; T715-M719 VanDerWaalsContact O-CG 3.32Å; T715-M719 WeakPolarHBondContact O-CG 3.29Å; T715-M719 PolarHBondContact O-N 2.85Å; V716-M719 PolarHBondContact O-N 2.9Å; H717-M719 VanDerWaalsContact C-N 3.32Å; H717-M719 PolarHBondContact O-N 3.16Å; M719-M722 PolarHBondContact O-N 2.89Å; M719-K723 WeakPolarHBondContact O-CB 3.5Å; M719-K723 PolarHBondContact O-N 3.32Å; M719-R783 HydrophobicContact CE-CB 3.54Å; M719-R783 HydrophobicContact CE-CG 3.66Å; M719-R783 PolarHBondContact SD-NH1 3.4Å; M719-A784 HydrophobicContact CB-CB 4.07Å; M719-A784 HydrophobicContact CE-CB 4.08Å; M719-A784 VanDerWaalsContact CE-N 3.31Å; M719-I787 HydrophobicContact CE-CD1 4.27Å; M719-I787 HydrophobicContact SD-CD1 3.73Å
720E89.5Confident84Confident72 Ų7270 Ų7034%0.33637%0.372SS..Hα-helixtrans-76-30.7176.8-156.7140.9-10900112V716 H717 K723 T724 R788V716-E720 WeakPolarHBondContact O-CB 3.47Å; V716-E720 PolarHBondContact O-N 2.91Å; H717-E720 PolarHBondContact O-N 3.22Å; E720-K723 WeakPolarHBondContact O-CB 3.44Å; E720-K723 PolarHBondContact O-N 3.48Å; E720-T724 PolarHBondContact O-N 3.47Å; E720-T724 PolarHBondContact O-OG1 2.93Å; E720-T724 VanDerWaalsContact O-OG1 3.06Å; E720-R788 IonicContact OE1-CZ 3.33Å; E720-R788 IonicContact OE1-NH1 2.86Å; E720-R788 PolarHBondContact OE1-NH1 3.41Å; E720-R788 IonicContact OE1-NH2 2.94Å; E720-R788 PolarHBondContact OE1-NH2 3.41Å; E720-R788 IonicContact OE2-CZ 3.42Å; E720-R788 IonicContact OE2-NH1 2.74Å; E720-R788 PolarHBondContact OE2-NH1 3.49Å
721A90.7Very high85.6Confident35 Ų3569.3 Ų69.329%0.28937%0.368SS..Hα-helixtrans-65.7-45.4165.200000111.1H717 K723 T724 I725H717-A721 WeakPolarHBondContact O-CB 3.26Å; H717-A721 PolarHBondContact O-N 2.95Å; A721-K723 VanDerWaalsContact C-N 3.28Å; A721-K723 PolarHBondContact O-N 2.91Å; A721-T724 WeakPolarHBondContact CA-OG1 3.35Å; A721-T724 PolarHBondContact O-N 3.18Å; A721-T724 PolarHBondContact O-OG1 2.93Å; A721-I725 VanDerWaalsContact O-CG1 3.29Å; A721-I725 WeakPolarHBondContact O-CG1 3.44Å; A721-I725 PolarHBondContact O-N 3.18Å
722M92.7Very high87.2Confident96 Ų9668.9 Ų68.947%0.47336%0.358SS..Hα-helixtrans-62.3-37.1174.6-162.166.665.900111.7E718 M719 I725 C726 L780E718-M722 WeakPolarHBondContact O-CB 3.11Å; E718-M722 PolarHBondContact O-N 3.21Å; M719-M722 PolarHBondContact O-N 2.89Å; M722-I725 PolarHBondContact O-N 2.86Å; M722-C726 PolarHBondContact O-N 3.2Å; M722-C726 PolarHBondContact O-SG 2.85Å; M722-L780 HydrophobicContact CB-CD1 3.88Å; M722-L780 HydrophobicContact CB-CD2 4.15Å; M722-L780 HydrophobicContact CG-CD1 3.53Å; M722-L780 HydrophobicContact CG-CD2 4.1Å; M722-L780 HydrophobicContact CG-CG 4.49Å
723K93.9Very high88.8Confident61 Ų6168.9 Ų68.927%0.26536%0.356SS..Hα-helixtrans-59-52.9173.4-169.7-162.3173.4-165.20110.9M719 E720 A721 I725 C726 Q727 E777 L780M719-K723 WeakPolarHBondContact O-CB 3.5Å; M719-K723 PolarHBondContact O-N 3.32Å; E720-K723 WeakPolarHBondContact O-CB 3.44Å; E720-K723 PolarHBondContact O-N 3.48Å; A721-K723 VanDerWaalsContact C-N 3.28Å; A721-K723 PolarHBondContact O-N 2.91Å; K723-I725 VanDerWaalsContact C-N 3.3Å; K723-I725 PolarHBondContact O-N 3.45Å; K723-C726 WeakPolarHBondContact O-CB 3.21Å; K723-C726 PolarHBondContact O-N 3.45Å; K723-C726 VanDerWaalsContact O-N 3.11Å; K723-Q727 PolarHBondContact O-N 3.3Å; K723-E777 HydrophobicContact CD-CG 4.19Å; K723-E777 WeakPolarHBondContact CE-OE1 3.38Å; K723-E777 HydrophobicContact CG-CG 3.36Å; K723-E777 IonicContact NZ-OE1 3.25Å; K723-L780 HydrophobicContact CB-CB 4.23Å
724T92.8Very high90Very high78 Ų7869.5 Ų69.548%0.47935%0.353SS..Hα-helixtrans-65.1-31.1179.847.40000113E720 A721 Q727 S728E720-T724 PolarHBondContact O-N 3.47Å; E720-T724 PolarHBondContact O-OG1 2.93Å; E720-T724 VanDerWaalsContact O-OG1 3.06Å; A721-T724 WeakPolarHBondContact CA-OG1 3.35Å; A721-T724 PolarHBondContact O-N 3.18Å; A721-T724 PolarHBondContact O-OG1 2.93Å; T724-Q727 PolarHBondContact O-N 3.37Å; T724-S728 PolarHBondContact O-N 2.89Å; T724-S728 PolarHBondContact O-OG 3.15Å
725I96Very high91.4Very high98 Ų9872.1 Ų72.150%0.50336%0.358SS..Hα-helixtrans-62.5-48.8169-69.3164.8000110.7A721 M722 K723 Q727 S728 F729A721-I725 VanDerWaalsContact O-CG1 3.29Å; A721-I725 WeakPolarHBondContact O-CG1 3.44Å; A721-I725 PolarHBondContact O-N 3.18Å; M722-I725 PolarHBondContact O-N 2.86Å; K723-I725 VanDerWaalsContact C-N 3.3Å; K723-I725 PolarHBondContact O-N 3.45Å; I725-Q727 VanDerWaalsContact C-N 3.32Å; I725-Q727 PolarHBondContact O-N 2.76Å; I725-S728 PolarHBondContact O-N 3.14Å; I725-S728 PolarHBondContact O-OG 3.38Å; I725-F729 WeakPolarHBondContact O-CB 3.23Å; I725-F729 PolarHBondContact O-N 3.26Å
726C93.8Very high92Very high11 Ų1172.1 Ų72.17%0.07436%0.355CS..Hα-helixtrans-60.5-41.2177.8-64.70000112M722 K723 F729 R730 V773 E777M722-C726 PolarHBondContact O-N 3.2Å; M722-C726 PolarHBondContact O-SG 2.85Å; K723-C726 WeakPolarHBondContact O-CB 3.21Å; K723-C726 PolarHBondContact O-N 3.45Å; K723-C726 VanDerWaalsContact O-N 3.11Å; C726-F729 PolarHBondContact O-N 3.24Å; C726-R730 PolarHBondContact O-N 3.39Å; C726-V773 HydrophobicContact CB-CG1 4.22Å; C726-V773 WeakPolarHBondContact O-CG1 3.3Å; C726-E777 HydrophobicContact CB-CB 4.04Å; C726-E777 HydrophobicContact CB-CG 4.42Å
727Q93.6Very high92.3Very high68 Ų6872.6 Ų72.632%0.31836%0.356SS..Hα-helixtrans-57.4-54.4173176.4168.4-1.100111.5K723 T724 I725 F729 R730 E731 E777K723-Q727 PolarHBondContact O-N 3.3Å; T724-Q727 PolarHBondContact O-N 3.37Å; I725-Q727 VanDerWaalsContact C-N 3.32Å; I725-Q727 PolarHBondContact O-N 2.76Å; Q727-F729 PolarHBondContact O-N 3.14Å; Q727-R730 PolarHBondContact O-N 3.12Å; Q727-R730 VanDerWaalsContact O-N 3.13Å; Q727-E731 WeakPolarHBondContact CG-OE1 3.41Å; Q727-E731 PolarHBondContact NE2-OE1 3.06Å; Q727-E731 WeakPolarHBondContact O-CG 3.43Å; Q727-E731 PolarHBondContact O-N 2.91Å; Q727-E777 WeakPolarHBondContact CA-OE2 3.46Å; Q727-E777 WeakPolarHBondContact CB-OE2 3.33Å
728S94.3Very high92.5Very high64 Ų6472.9 Ų72.945%0.44836%0.357SS..Hα-helixtrans-62.7-30.6-179.3700000113.1T724 I725 Y732T724-S728 PolarHBondContact O-N 2.89Å; T724-S728 PolarHBondContact O-OG 3.15Å; I725-S728 PolarHBondContact O-N 3.14Å; I725-S728 PolarHBondContact O-OG 3.38Å; S728-Y732 WeakPolarHBondContact O-CB 3.46Å; S728-Y732 PolarHBondContact O-N 2.99Å; S728-Y732 VanDerWaalsContact O-N 3.08Å
729F95.4Very high92.7Very high90 Ų9072.3 Ų72.340%0.39536%0.355SS..Hα-helixtrans-71.4-39.2175.7-179.2-121.2000112I725 C726 Q727 Y732 L733 V773I725-F729 WeakPolarHBondContact O-CB 3.23Å; I725-F729 PolarHBondContact O-N 3.26Å; C726-F729 PolarHBondContact O-N 3.24Å; Q727-F729 PolarHBondContact O-N 3.14Å; F729-Y732 PolarHBondContact O-N 3.04Å; F729-L733 HydrophobicContact CD1-CD1 4.16Å; F729-L733 HydrophobicContact CE1-CD1 3.72Å; F729-L733 HydrophobicContact CE1-CG 4.37Å; F729-L733 HydrophobicContact CE2-CD1 4.42Å; F729-L733 HydrophobicContact CE2-CD2 4.34Å; F729-L733 HydrophobicContact CE2-CG 4.21Å; F729-L733 HydrophobicContact CZ-CD1 3.86Å; F729-L733 HydrophobicContact CZ-CD2 4.2Å; F729-L733 HydrophobicContact CZ-CG 4.1Å; F729-L733 WeakPolarHBondContact O-CG 3.28Å; F729-L733 PolarHBondContact O-N 3.28Å; F729-V773 HydrophobicContact CD1-CB 4.49Å; F729-V773 HydrophobicContact CD1-CG1 4Å; F729-V773 HydrophobicContact CD1-CG2 3.62Å; F729-V773 HydrophobicContact CE1-CG2 3.65Å
730R94.3Very high92.5Very high43 Ų4374.3 Ų74.316%0.16237%0.365CS..Hα-helixtrans-63.6-47.7172.4177.5-176.958.9-99-1.6111.3C726 Q727 Y732 L733 E734 V773 E777C726-R730 PolarHBondContact O-N 3.39Å; Q727-R730 PolarHBondContact O-N 3.12Å; Q727-R730 VanDerWaalsContact O-N 3.13Å; R730-Y732 PolarHBondContact O-N 3.11Å; R730-L733 WeakPolarHBondContact O-CB 3.48Å; R730-L733 PolarHBondContact O-N 3.06Å; R730-E734 WeakPolarHBondContact CD-OE1 3.4Å; R730-E734 HydrophobicContact CG-CG 4.4Å; R730-E734 VanDerWaalsContact CG-OE1 3.23Å; R730-E734 WeakPolarHBondContact CG-OE1 3.48Å; R730-E734 IonicContact NE-OE1 2.87Å; R730-E734 WeakPolarHBondContact O-CG 3.44Å; R730-E734 PolarHBondContact O-N 2.64Å; R730-V773 HydrophobicContact CB-CG1 3.96Å; R730-E777 IonicContact CZ-OE2 3.52Å; R730-E777 IonicContact NH1-OE2 3.81Å; R730-E777 PolarHBondContact NH1-OE2 2.76Å; R730-E777 IonicContact NH2-OE2 2.76Å; R730-E777 PolarHBondContact NH2-OE2 3.35Å
731E94Very high92.3Very high98 Ų9875.6 Ų75.646%0.45837%0.373SS..Hα-helixtrans-57.3-39.5179-70.4168-173.200111.1Q727 E734 E735Q727-E731 WeakPolarHBondContact CG-OE1 3.41Å; Q727-E731 PolarHBondContact NE2-OE1 3.06Å; Q727-E731 WeakPolarHBondContact O-CG 3.43Å; Q727-E731 PolarHBondContact O-N 2.91Å; E731-E734 PolarHBondContact O-N 3.29Å; E731-E735 PolarHBondContact O-N 3.43Å
732Y94.1Very high92.1Very high118 Ų11875.8 Ų75.846%0.46338%0.378SS..Hα-helixtrans-69.5-36.7173.7-177-123.4000114S728 F729 R730 E734 E735 I736S728-Y732 WeakPolarHBondContact O-CB 3.46Å; S728-Y732 PolarHBondContact O-N 2.99Å; S728-Y732 VanDerWaalsContact O-N 3.08Å; F729-Y732 PolarHBondContact O-N 3.04Å; R730-Y732 PolarHBondContact O-N 3.11Å; Y732-E734 VanDerWaalsContact C-N 3.35Å; Y732-E735 PolarHBondContact O-N 3.27Å; Y732-I736 HydrophobicContact CD1-CD1 3.92Å; Y732-I736 HydrophobicContact CD2-CD1 4.4Å; Y732-I736 HydrophobicContact CE1-CD1 3.54Å; Y732-I736 HydrophobicContact CE2-CD1 4.05Å; Y732-I736 HydrophobicContact CE2-CG1 4.26Å; Y732-I736 HydrophobicContact CG-CD1 4.34Å; Y732-I736 WeakPolarHBondContact O-CG1 3.44Å; Y732-I736 PolarHBondContact O-N 3.08Å
733L91.9Very high91.7Very high29 Ų2975.8 Ų75.815%0.15238%0.377CS..Hα-helixtrans-64.5-39.1172.4-74.1174.7000111.7F729 R730 I736 E737 L769 R770 V773F729-L733 HydrophobicContact CD1-CD1 4.16Å; F729-L733 HydrophobicContact CE1-CD1 3.72Å; F729-L733 HydrophobicContact CE1-CG 4.37Å; F729-L733 HydrophobicContact CE2-CD1 4.42Å; F729-L733 HydrophobicContact CE2-CD2 4.34Å; F729-L733 HydrophobicContact CE2-CG 4.21Å; F729-L733 HydrophobicContact CZ-CD1 3.86Å; F729-L733 HydrophobicContact CZ-CD2 4.2Å; F729-L733 HydrophobicContact CZ-CG 4.1Å; F729-L733 WeakPolarHBondContact O-CG 3.28Å; F729-L733 PolarHBondContact O-N 3.28Å; R730-L733 WeakPolarHBondContact O-CB 3.48Å; R730-L733 PolarHBondContact O-N 3.06Å; L733-I736 PolarHBondContact O-N 3.47Å; L733-E737 WeakPolarHBondContact O-CB 3.25Å; L733-E737 PolarHBondContact O-N 3.31Å; L733-L769 HydrophobicContact CD1-CD2 3.93Å; L733-L769 HydrophobicContact CD1-CG 3.99Å; L733-L769 HydrophobicContact CD2-CD2 4.12Å; L733-R770 HydrophobicContact CB-CG 4.03Å; L733-R770 HydrophobicContact CD1-CG 4.18Å; L733-V773 HydrophobicContact CD1-CG2 4.39Å
734E92.3Very high91.1Very high74 Ų7476 Ų7635%0.34638%0.379SS..Hα-helixtrans-65.9-40176.1-71.1174.5-159.100111.9R730 E731 Y732 E737 Q738R730-E734 WeakPolarHBondContact CD-OE1 3.4Å; R730-E734 HydrophobicContact CG-CG 4.4Å; R730-E734 VanDerWaalsContact CG-OE1 3.23Å; R730-E734 WeakPolarHBondContact CG-OE1 3.48Å; R730-E734 IonicContact NE-OE1 2.87Å; R730-E734 WeakPolarHBondContact O-CG 3.44Å; R730-E734 PolarHBondContact O-N 2.64Å; E731-E734 PolarHBondContact O-N 3.29Å; Y732-E734 VanDerWaalsContact C-N 3.35Å; E734-E737 PolarHBondContact O-N 3.33Å; E734-Q738 VanDerWaalsContact O-CG 3.29Å; E734-Q738 WeakPolarHBondContact O-CG 3.45Å; E734-Q738 PolarHBondContact O-N 2.88Å
735E94.4Very high90.6Very high130 Ų13075.3 Ų75.361%0.60738%0.38SS*.Hα-helixtrans-61.6-46.6172.7-174.3-176.9-163.300111.8E731 Y732 E737 Q738 H739E731-E735 PolarHBondContact O-N 3.43Å; Y732-E735 PolarHBondContact O-N 3.27Å; E735-E737 VanDerWaalsContact C-N 3.33Å; E735-E737 PolarHBondContact O-N 2.81Å; E735-Q738 PolarHBondContact O-N 3.32Å; E735-H739 PolarHBondContact O-N 3.39Å; E735-H739 VanDerWaalsContact O-N 3.09Å
736I91.5Very high90Very high63 Ų6377.1 Ų77.132%0.32339%0.391SS..Hα-helixtrans-60.1-43.6175.7-71.8166.8000110.8Y732 L733 H739 L740Y732-I736 HydrophobicContact CD1-CD1 3.92Å; Y732-I736 HydrophobicContact CD2-CD1 4.4Å; Y732-I736 HydrophobicContact CE1-CD1 3.54Å; Y732-I736 HydrophobicContact CE2-CD1 4.05Å; Y732-I736 HydrophobicContact CE2-CG1 4.26Å; Y732-I736 HydrophobicContact CG-CD1 4.34Å; Y732-I736 WeakPolarHBondContact O-CG1 3.44Å; Y732-I736 PolarHBondContact O-N 3.08Å; L733-I736 PolarHBondContact O-N 3.47Å; I736-H739 PolarHBondContact O-N 2.87Å; I736-L740 HydrophobicContact CG2-CD1 3.71Å; I736-L740 HydrophobicContact CG2-CG 4.2Å; I736-L740 WeakPolarHBondContact O-CB 3.39Å; I736-L740 WeakPolarHBondContact O-CG 3.41Å; I736-L740 PolarHBondContact O-N 2.8Å
737E89.9Confident89.2Confident21 Ų2182.6 Ų82.610%0.09841%0.413CS..Hα-helixtrans-69.7-38.8-177.4-167.4169.7155.800112.2L733 E734 E735 H739 L740 M741 R770L733-E737 WeakPolarHBondContact O-CB 3.25Å; L733-E737 PolarHBondContact O-N 3.31Å; E734-E737 PolarHBondContact O-N 3.33Å; E735-E737 VanDerWaalsContact C-N 3.33Å; E735-E737 PolarHBondContact O-N 2.81Å; E737-H739 VanDerWaalsContact C-N 3.32Å; E737-H739 PolarHBondContact O-N 3.47Å; E737-L740 PolarHBondContact O-N 3.23Å; E737-M741 WeakPolarHBondContact O-CB 3.48Å; E737-M741 PolarHBondContact O-N 3.44Å; E737-R770 VanDerWaalsContact CD-NH2 3.27Å; E737-R770 IonicContact OE1-CZ 2.75Å; E737-R770 IonicContact OE1-NH2 3.42Å; E737-R770 PolarHBondContact OE1-NH2 3.48Å; E737-R770 IonicContact OE2-CZ 3.89Å; E737-R770 VanDerWaalsContact OE2-CZ 3.26Å; E737-R770 IonicContact OE2-NE 3.47Å; E737-R770 PolarHBondContact OE2-NE 3.3Å; E737-R770 IonicContact OE2-NH2 3.82Å; E737-R770 PolarHBondContact OE2-NH2 3.47Å
738Q89.6Confident88.5Confident141 Ų14183.3 Ų83.366%0.65943%0.426SS*.Hα-helixtrans-59.6-42.9171.1-73.1174.236.900111.6E734 E735 G742E734-Q738 VanDerWaalsContact O-CG 3.29Å; E734-Q738 WeakPolarHBondContact O-CG 3.45Å; E734-Q738 PolarHBondContact O-N 2.88Å; E735-Q738 PolarHBondContact O-N 3.32Å; Q738-G742 PolarHBondContact O-N 3.35Å
739H90.9Very high87.7Confident114 Ų11491.1 Ų91.153%0.52845%0.446SS..Hα-helixtrans-66.7-44.9176.6176.7-99.2000112.4E735 I736 E737 G742 Q743E735-H739 PolarHBondContact O-N 3.39Å; E735-H739 VanDerWaalsContact O-N 3.09Å; I736-H739 PolarHBondContact O-N 2.87Å; E737-H739 VanDerWaalsContact C-N 3.32Å; E737-H739 PolarHBondContact O-N 3.47Å; H739-G742 PolarHBondContact O-N 3.15Å; H739-Q743 PolarHBondContact CE1-NE2 2.9Å; H739-Q743 PolarHBondContact NE2-NE2 3.12Å; H739-Q743 VanDerWaalsContact NE2-NE2 3.18Å; H739-Q743 WeakPolarHBondContact O-CG 3.42Å; H739-Q743 PolarHBondContact O-N 2.84Å
740L87.3Confident87.1Confident56 Ų5692.8 Ų92.829%0.29346%0.459SS..Hα-helixtrans-62.7-47.1176.7-74.5172.6000111.8I736 E737 G742 Q743 Q744I736-L740 HydrophobicContact CG2-CD1 3.71Å; I736-L740 HydrophobicContact CG2-CG 4.2Å; I736-L740 WeakPolarHBondContact O-CB 3.39Å; I736-L740 WeakPolarHBondContact O-CG 3.41Å; I736-L740 PolarHBondContact O-N 2.8Å; E737-L740 PolarHBondContact O-N 3.23Å; L740-G742 VanDerWaalsContact C-N 3.31Å; L740-G742 PolarHBondContact O-N 3.36Å; L740-Q743 PolarHBondContact O-N 3.06Å; L740-Q744 VanDerWaalsContact O-CB 3.26Å; L740-Q744 WeakPolarHBondContact O-CB 3.4Å; L740-Q744 PolarHBondContact O-N 3.49Å
741M85.8Confident86.5Confident100 Ų10094 Ų9449%0.49347%0.467SS..Hα-helixtrans-62.6-39.3177.3-170.6-176-62.500111.2E737 Q744 A745E737-M741 WeakPolarHBondContact O-CB 3.48Å; E737-M741 PolarHBondContact O-N 3.44Å; M741-Q744 PolarHBondContact O-N 2.87Å; M741-A745 WeakPolarHBondContact O-CB 3.14Å; M741-A745 PolarHBondContact O-N 3.07Å
742G84.9Confident86.2Confident39 Ų3991.3 Ų91.340%0.40246%0.459SS..Hα-helixtrans-62.1-42.5173.500000113.3Q738 H739 L740 L746Q738-G742 PolarHBondContact O-N 3.35Å; H739-G742 PolarHBondContact O-N 3.15Å; L740-G742 VanDerWaalsContact C-N 3.31Å; L740-G742 PolarHBondContact O-N 3.36Å; G742-L746 WeakPolarHBondContact O-CG 3.45Å
743Q84.4Confident85.9Confident96 Ų9692.1 Ų92.145%0.44947%0.467SS..Hα-helixtrans-68-43.3173.6-70.6-166.7-9.800112H739 L740 A745 L746 F747H739-Q743 PolarHBondContact CE1-NE2 2.9Å; H739-Q743 PolarHBondContact NE2-NE2 3.12Å; H739-Q743 VanDerWaalsContact NE2-NE2 3.18Å; H739-Q743 WeakPolarHBondContact O-CG 3.42Å; H739-Q743 PolarHBondContact O-N 2.84Å; L740-Q743 PolarHBondContact O-N 3.06Å; Q743-A745 VanDerWaalsContact C-N 3.33Å; Q743-A745 PolarHBondContact O-N 3.42Å; Q743-L746 WeakPolarHBondContact O-CB 3.44Å; Q743-L746 PolarHBondContact O-N 3.11Å; Q743-L746 VanDerWaalsContact O-N 3.11Å; Q743-F747 WeakPolarHBondContact O-CD2 3.44Å; Q743-F747 PolarHBondContact O-N 3.49Å
744Q82.3Confident85.7Confident66 Ų6696.9 Ų96.931%0.30849%0.488SS..Hα-helixtrans-65.7-35-178.2-169.2148.843.600112.2L740 M741 L746 F747 S748L740-Q744 VanDerWaalsContact O-CB 3.26Å; L740-Q744 WeakPolarHBondContact O-CB 3.4Å; L740-Q744 PolarHBondContact O-N 3.49Å; M741-Q744 PolarHBondContact O-N 2.87Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 3.14Å; Q744-F747 PolarHBondContact O-N 3.02Å; Q744-S748 WeakPolarHBondContact O-CA 3.28Å; Q744-S748 WeakPolarHBondContact O-CB 3.39Å; Q744-S748 PolarHBondContact O-N 3.28Å
745A81.9Confident85.5Confident62 Ų6297.9 Ų97.951%0.51249%0.493SS..Hα-helixtrans-61.1-35.6172.200000112.9M741 Q743 S748M741-A745 WeakPolarHBondContact O-CB 3.14Å; M741-A745 PolarHBondContact O-N 3.07Å; Q743-A745 VanDerWaalsContact C-N 3.33Å; Q743-A745 PolarHBondContact O-N 3.42Å; A745-S748 WeakPolarHBondContact O-CB 3.41Å; A745-S748 PolarHBondContact O-OG 3.46Å
746L83.1Confident85.1Confident137 Ų13796.7 Ų96.772%0.71748%0.483SS*.Hα-helixtrans-69-35-180-66.9169.5000112.9G742 Q743 Q744G742-L746 WeakPolarHBondContact O-CG 3.45Å; Q743-L746 WeakPolarHBondContact O-CB 3.44Å; Q743-L746 PolarHBondContact O-N 3.11Å; Q743-L746 VanDerWaalsContact O-N 3.11Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 3.14Å
747F78.4Confident85Confident125 Ų12599 Ų9955%0.54849%0.493SS..Hα-helixtrans-98.9-1.9179.6-62.7-72.8000113.9Q743 Q744 R749 D750 M751Q743-F747 WeakPolarHBondContact O-CD2 3.44Å; Q743-F747 PolarHBondContact O-N 3.49Å; Q744-F747 PolarHBondContact O-N 3.02Å; F747-R749 PolarHBondContact O-N 2.89Å; F747-D750 PolarHBondContact O-N 2.88Å; F747-M751 HydrophobicContact CB-SD 4.41Å; F747-M751 WeakPolarHBondContact O-CG 3.47Å; F747-M751 PolarHBondContact O-N 3.45Å
748S77.4Confident84.9Confident84 Ų84103.9 Ų103.959%0.58752%0.516SS*.THydrogen-bonded Turntrans-51.6-17.6-175.460.80000116.8Q744 A745Q744-S748 WeakPolarHBondContact O-CA 3.28Å; Q744-S748 WeakPolarHBondContact O-CB 3.39Å; Q744-S748 PolarHBondContact O-N 3.28Å; A745-S748 WeakPolarHBondContact O-CB 3.41Å; A745-S748 PolarHBondContact O-OG 3.46Å
749R77.8Confident84.8Confident228 Ų22897.8 Ų97.886%0.8649%0.489SS*.THydrogen-bonded Turntrans-88-23.7176.5178.8173.2177174.4-0.1114F747F747-R749 PolarHBondContact O-N 2.89Å
750D82.6Confident84.7Confident125 Ų12597 Ų9767%0.66849%0.486SS*.THydrogen-bonded Turntrans-103.2-7.1-171.3-56.1-30.9000112.3F747F747-D750 PolarHBondContact O-N 2.88Å
751M82.2Confident84.9Confident67 Ų6799.8 Ų99.833%0.3350%0.497SS..  trans-70.1148.5174.6-52.7-64.2-69.700112.2F747 E755F747-M751 HydrophobicContact CB-SD 4.41Å; F747-M751 WeakPolarHBondContact O-CG 3.47Å; F747-M751 PolarHBondContact O-N 3.45Å; M751-E755 WeakPolarHBondContact CA-OE2 3.31Å; M751-E755 HydrophobicContact CB-CB 4.48Å; M751-E755 HydrophobicContact CE-CB 3.75Å
752S88.6Confident85.1Confident42 Ų4298.8 Ų98.829%0.29449%0.494SS..  trans-74.3175.2169.698.30000113.1E754 E755 R756S752-E754 WeakPolarHBondContact CB-OE2 3.37Å; S752-E754 PolarHBondContact OG-N 3.4Å; S752-E754 VanDerWaalsContact OG-N 3.14Å; S752-E754 PolarHBondContact OG-OE2 3.44Å; S752-E755 PolarHBondContact N-OE2 3.44Å; S752-E755 WeakPolarHBondContact OG-CG 3.44Å; S752-E755 PolarHBondContact OG-N 3.45Å; S752-R756 WeakPolarHBondContact O-CB 3.42Å; S752-R756 PolarHBondContact O-N 2.84Å
753E86.7Confident85.4Confident135 Ų135101.1 Ų101.163%0.63149%0.494SS*.Hα-helixtrans-67.3-43.2172174.3131.8-116.600111.3R756 E757E753-R756 VanDerWaalsContact CD-NH2 3.34Å; E753-R756 PolarHBondContact O-N 3.28Å; E753-R756 IonicContact OE1-CZ 3.39Å; E753-R756 IonicContact OE1-NH2 3.85Å; E753-R756 PolarHBondContact OE1-NH2 3.36Å; E753-E757 PolarHBondContact O-N 2.86Å
754E88.9Confident85.8Confident129 Ų129101.3 Ų101.360%0.60350%0.502SS*.Hα-helixtrans-64.9-46.7176.1-53.684.6171.300111.7S752 R756 E757 E758S752-E754 WeakPolarHBondContact CB-OE2 3.37Å; S752-E754 PolarHBondContact OG-N 3.4Å; S752-E754 VanDerWaalsContact OG-N 3.14Å; S752-E754 PolarHBondContact OG-OE2 3.44Å; E754-R756 PolarHBondContact O-N 2.92Å; E754-E757 PolarHBondContact O-N 3.21Å; E754-E758 PolarHBondContact O-N 2.97Å
755E86.1Confident86.4Confident96 Ų96103.7 Ų103.745%0.44952%0.516SS..Hα-helixtrans-64.8-26.7178.6-62.6176.4138.400112.3M751 S752 A759M751-E755 WeakPolarHBondContact CA-OE2 3.31Å; M751-E755 HydrophobicContact CB-CB 4.48Å; M751-E755 HydrophobicContact CE-CB 3.75Å; S752-E755 PolarHBondContact N-OE2 3.44Å; S752-E755 WeakPolarHBondContact OG-CG 3.44Å; S752-E755 PolarHBondContact OG-N 3.45Å; E755-A759 WeakPolarHBondContact O-CB 3.28Å; E755-A759 PolarHBondContact O-N 3.06Å; E755-A759 VanDerWaalsContact O-N 3.07Å
756R87.3Confident86.8Confident105 Ų105104 Ų10440%0.39650%0.504SS..Hα-helixtrans-74.5-39.7170.7173.5176.247.967.31.7111.9S752 E753 E754 A759 E760S752-R756 WeakPolarHBondContact O-CB 3.42Å; S752-R756 PolarHBondContact O-N 2.84Å; E753-R756 VanDerWaalsContact CD-NH2 3.34Å; E753-R756 PolarHBondContact O-N 3.28Å; E753-R756 IonicContact OE1-CZ 3.39Å; E753-R756 IonicContact OE1-NH2 3.85Å; E753-R756 PolarHBondContact OE1-NH2 3.36Å; E754-R756 PolarHBondContact O-N 2.92Å; R756-A759 WeakPolarHBondContact O-CB 3.49Å; R756-A759 PolarHBondContact O-N 3.41Å; R756-E760 VanDerWaalsContact CG-OE1 3.3Å; R756-E760 WeakPolarHBondContact CG-OE1 3.32Å; R756-E760 IonicContact NH1-OE1 3.99Å; R756-E760 WeakPolarHBondContact O-CG 3.14Å; R756-E760 PolarHBondContact O-N 3.06Å
757E88.8Confident87.3Confident111 Ų111101.7 Ų101.752%0.51949%0.489SS..Hα-helixtrans-65.2-43.4174.6-162.1-174.6147.900111.1E753 E754 A759 E760 Q761E753-E757 PolarHBondContact O-N 2.86Å; E754-E757 PolarHBondContact O-N 3.21Å; E757-A759 VanDerWaalsContact C-N 3.26Å; E757-A759 PolarHBondContact O-N 3.01Å; E757-E760 PolarHBondContact O-N 3.1Å; E757-Q761 WeakPolarHBondContact O-CG 3.38Å; E757-Q761 PolarHBondContact O-N 3.36Å; E757-Q761 PolarHBondContact OE1-NE2 3.48Å; E757-Q761 VanDerWaalsContact OE1-NE2 3.15Å
758E88.4Confident88.1Confident124 Ų12497.8 Ų97.858%0.57948%0.48SS*.Hα-helixtrans-59.2-37.4172.1-71.4-168.6178.200112E754 Q761 L762E754-E758 PolarHBondContact O-N 2.97Å; E758-Q761 PolarHBondContact O-N 3.02Å; E758-L762 VanDerWaalsContact O-CB 3.31Å; E758-L762 WeakPolarHBondContact O-CB 3.29Å; E758-L762 VanDerWaalsContact O-CG 3.24Å; E758-L762 WeakPolarHBondContact O-CG 3.37Å; E758-L762 PolarHBondContact O-N 3Å
759A87Confident88.9Confident13 Ų1397.2 Ų97.211%0.10747%0.47CS..Hα-helixtrans-63.2-45.3174.300000112.9E755 R756 E757 L762 Q763E755-A759 WeakPolarHBondContact O-CB 3.28Å; E755-A759 PolarHBondContact O-N 3.06Å; E755-A759 VanDerWaalsContact O-N 3.07Å; R756-A759 WeakPolarHBondContact O-CB 3.49Å; R756-A759 PolarHBondContact O-N 3.41Å; E757-A759 VanDerWaalsContact C-N 3.26Å; E757-A759 PolarHBondContact O-N 3.01Å; A759-L762 PolarHBondContact O-N 3.18Å; A759-Q763 WeakPolarHBondContact O-CB 3.26Å; A759-Q763 PolarHBondContact O-N 3.18Å
760E88.9Confident89.7Confident98 Ų9887.8 Ų87.846%0.45843%0.434SS..Hα-helixtrans-64.9-39.2177.6-70.3172.8-143.400111.2R756 E757 Q763 T764R756-E760 VanDerWaalsContact CG-OE1 3.3Å; R756-E760 WeakPolarHBondContact CG-OE1 3.32Å; R756-E760 IonicContact NH1-OE1 3.99Å; R756-E760 WeakPolarHBondContact O-CG 3.14Å; R756-E760 PolarHBondContact O-N 3.06Å; E757-E760 PolarHBondContact O-N 3.1Å; E760-Q763 PolarHBondContact O-N 2.92Å; E760-T764 WeakPolarHBondContact O-CB 3.21Å; E760-T764 PolarHBondContact O-N 3.22Å; E760-T764 PolarHBondContact O-OG1 2.92Å
761Q91.4Very high90.2Very high113 Ų11387.3 Ų87.353%0.52843%0.428SS..Hα-helixtrans-64.6-44.4172.6-68178.927.300112E757 E758 T764 L765E757-Q761 WeakPolarHBondContact O-CG 3.38Å; E757-Q761 PolarHBondContact O-N 3.36Å; E757-Q761 PolarHBondContact OE1-NE2 3.48Å; E757-Q761 VanDerWaalsContact OE1-NE2 3.15Å; E758-Q761 PolarHBondContact O-N 3.02Å; Q761-T764 WeakPolarHBondContact O-CB 3.46Å; Q761-T764 PolarHBondContact O-N 2.77Å; Q761-L765 PolarHBondContact O-N 2.95Å
762L90.8Very high90.9Very high80 Ų8090.6 Ų90.642%0.41944%0.443SS..Hα-helixtrans-66.4-35.4176.5-76.2170.1000112.7E758 A759 L765 R766E758-L762 VanDerWaalsContact O-CB 3.31Å; E758-L762 WeakPolarHBondContact O-CB 3.29Å; E758-L762 VanDerWaalsContact O-CG 3.24Å; E758-L762 WeakPolarHBondContact O-CG 3.37Å; E758-L762 PolarHBondContact O-N 3Å; A759-L762 PolarHBondContact O-N 3.18Å; L762-L765 PolarHBondContact O-N 3.47Å; L762-R766 WeakPolarHBondContact O-CD 3.43Å; L762-R766 VanDerWaalsContact O-CG 3.25Å; L762-R766 WeakPolarHBondContact O-CG 3.31Å; L762-R766 PolarHBondContact O-N 3.13Å; L762-R766 VanDerWaalsContact O-N 3.11Å
763Q89.6Confident91.2Very high88 Ų8889.1 Ų89.141%0.41143%0.432SS..Hα-helixtrans-65-46.1172.2-174.6176.22.100110.6A759 E760 L765 R766 E767A759-Q763 WeakPolarHBondContact O-CB 3.26Å; A759-Q763 PolarHBondContact O-N 3.18Å; E760-Q763 PolarHBondContact O-N 2.92Å; Q763-L765 VanDerWaalsContact C-N 3.27Å; Q763-L765 PolarHBondContact O-N 3.34Å; Q763-R766 PolarHBondContact O-N 2.99Å; Q763-R766 VanDerWaalsContact O-N 3.11Å; Q763-E767 PolarHBondContact O-N 3.17Å
764T93.9Very high91.6Very high99 Ų9984.1 Ų84.161%0.60741%0.414SS*.Hα-helixtrans-58.2-38.8176.3-57.20000111.9E760 Q761 A768E760-T764 WeakPolarHBondContact O-CB 3.21Å; E760-T764 PolarHBondContact O-N 3.22Å; E760-T764 PolarHBondContact O-OG1 2.92Å; Q761-T764 WeakPolarHBondContact O-CB 3.46Å; Q761-T764 PolarHBondContact O-N 2.77Å; T764-A768 WeakPolarHBondContact O-CB 3.48Å; T764-A768 PolarHBondContact O-N 3.15Å
765L93.9Very high91.9Very high116 Ų11682 Ų8261%0.60740%0.404SS*.Hα-helixtrans-68.3-37.3176-176.961.1000113Q761 L762 Q763 L769Q761-L765 PolarHBondContact O-N 2.95Å; L762-L765 PolarHBondContact O-N 3.47Å; Q763-L765 VanDerWaalsContact C-N 3.27Å; Q763-L765 PolarHBondContact O-N 3.34Å; L765-L769 PolarHBondContact O-N 2.94Å
766R91.3Very high92.4Very high70 Ų7081.4 Ų81.426%0.26440%0.403SS..Hα-helixtrans-68.9-41.9176.5-69.2163.3-168.3144.83.8111.8L762 Q763 L769 R770L762-R766 WeakPolarHBondContact O-CD 3.43Å; L762-R766 VanDerWaalsContact O-CG 3.25Å; L762-R766 WeakPolarHBondContact O-CG 3.31Å; L762-R766 PolarHBondContact O-N 3.13Å; L762-R766 VanDerWaalsContact O-N 3.11Å; Q763-R766 PolarHBondContact O-N 2.99Å; Q763-R766 VanDerWaalsContact O-N 3.11Å; R766-L769 WeakPolarHBondContact O-CB 3.37Å; R766-L769 PolarHBondContact O-N 3.3Å; R766-R770 PolarHBondContact O-N 3.23Å
767E92.8Very high92.8Very high88 Ų8877.6 Ų77.641%0.41139%0.39SS..Hα-helixtrans-58.7-49172.1-172.863.4-111.600111Q763 L769 R770 Q771Q763-E767 PolarHBondContact O-N 3.17Å; E767-L769 VanDerWaalsContact C-N 3.27Å; E767-L769 PolarHBondContact O-N 3.21Å; E767-R770 VanDerWaalsContact CD-NH2 3.32Å; E767-R770 PolarHBondContact O-N 3.32Å; E767-R770 IonicContact OE1-CZ 3.18Å; E767-R770 IonicContact OE1-NH1 3.89Å; E767-R770 PolarHBondContact OE1-NH1 3.43Å; E767-R770 IonicContact OE1-NH2 2.78Å; E767-R770 IonicContact OE2-CZ 2.78Å; E767-R770 IonicContact OE2-NH1 3.57Å; E767-R770 PolarHBondContact OE2-NH1 3.11Å; E767-R770 IonicContact OE2-NH2 2.69Å; E767-R770 PolarHBondContact OE2-NH2 3.5Å; E767-Q771 WeakPolarHBondContact O-CB 3.26Å; E767-Q771 PolarHBondContact O-N 3.05Å
768A95.6Very high93Very high42 Ų4278.7 Ų78.735%0.34739%0.393SS..Hα-helixtrans-60.8-33.9177.200000113.1T764 Q772T764-A768 WeakPolarHBondContact O-CB 3.48Å; T764-A768 PolarHBondContact O-N 3.15Å; A768-Q772 WeakPolarHBondContact O-CG 3.45Å; A768-Q772 PolarHBondContact O-N 3.49Å; A768-Q772 VanDerWaalsContact O-N 3.16Å; A768-Q772 PolarHBondContact O-NE2 3.22Å
769L95Very high93.4Very high72 Ų7277.7 Ų77.738%0.37739%0.389SS..Hα-helixtrans-68.8-48.3173.5179.563.5000111.6L733 L765 R766 E767 Q771 Q772 V773L733-L769 HydrophobicContact CD1-CD2 3.93Å; L733-L769 HydrophobicContact CD1-CG 3.99Å; L733-L769 HydrophobicContact CD2-CD2 4.12Å; L765-L769 PolarHBondContact O-N 2.94Å; R766-L769 WeakPolarHBondContact O-CB 3.37Å; R766-L769 PolarHBondContact O-N 3.3Å; E767-L769 VanDerWaalsContact C-N 3.27Å; E767-L769 PolarHBondContact O-N 3.21Å; L769-Q771 VanDerWaalsContact C-N 3.29Å; L769-Q771 PolarHBondContact O-N 3.42Å; L769-Q772 PolarHBondContact O-N 3.22Å; L769-V773 WeakPolarHBondContact O-CG2 3.26Å; L769-V773 PolarHBondContact O-N 3.32Å
770R92.9Very high93.7Very high31 Ų3178.3 Ų78.312%0.11739%0.39CS..Hα-helixtrans-58.5-41.2176.1-79.6-169.6-7589.30.6111.6L733 E737 R766 E767 Q772 V773 A774L733-R770 HydrophobicContact CB-CG 4.03Å; L733-R770 HydrophobicContact CD1-CG 4.18Å; E737-R770 VanDerWaalsContact CD-NH2 3.27Å; E737-R770 IonicContact OE1-CZ 2.75Å; E737-R770 IonicContact OE1-NH2 3.42Å; E737-R770 PolarHBondContact OE1-NH2 3.48Å; E737-R770 IonicContact OE2-CZ 3.89Å; E737-R770 VanDerWaalsContact OE2-CZ 3.26Å; E737-R770 IonicContact OE2-NE 3.47Å; E737-R770 PolarHBondContact OE2-NE 3.3Å; E737-R770 IonicContact OE2-NH2 3.82Å; E737-R770 PolarHBondContact OE2-NH2 3.47Å; R766-R770 PolarHBondContact O-N 3.23Å; E767-R770 VanDerWaalsContact CD-NH2 3.32Å; E767-R770 PolarHBondContact O-N 3.32Å; E767-R770 IonicContact OE1-CZ 3.18Å; E767-R770 IonicContact OE1-NH1 3.89Å; E767-R770 PolarHBondContact OE1-NH1 3.43Å; E767-R770 IonicContact OE1-NH2 2.78Å; E767-R770 IonicContact OE2-CZ 2.78Å; E767-R770 IonicContact OE2-NH1 3.57Å; E767-R770 PolarHBondContact OE2-NH1 3.11Å; E767-R770 IonicContact OE2-NH2 2.69Å; E767-R770 PolarHBondContact OE2-NH2 3.5Å; R770-Q772 PolarHBondContact O-N 3.14Å; R770-V773 PolarHBondContact O-N 3.49Å; R770-A774 WeakPolarHBondContact O-CB 3.25Å; R770-A774 PolarHBondContact O-N 3.26Å
771Q94.9Very high93.8Very high114 Ų11474.2 Ų74.253%0.53337%0.374SS..Hα-helixtrans-63.7-39.1176.6-173.759.443.100112.6E767 L769 A774 E775E767-Q771 WeakPolarHBondContact O-CB 3.26Å; E767-Q771 PolarHBondContact O-N 3.05Å; L769-Q771 VanDerWaalsContact C-N 3.29Å; L769-Q771 PolarHBondContact O-N 3.42Å; Q771-A774 PolarHBondContact O-N 3.25Å; Q771-E775 WeakPolarHBondContact O-CB 3.37Å; Q771-E775 PolarHBondContact O-N 3.35Å
772Q96.6Very high93.9Very high136 Ų13672.8 Ų72.864%0.63637%0.37SS*.Hα-helixtrans-65.8-37.5174.4-75.4174.349.700112.5A768 L769 R770 L776A768-Q772 WeakPolarHBondContact O-CG 3.45Å; A768-Q772 PolarHBondContact O-N 3.49Å; A768-Q772 VanDerWaalsContact O-N 3.16Å; A768-Q772 PolarHBondContact O-NE2 3.22Å; L769-Q772 PolarHBondContact O-N 3.22Å; R770-Q772 PolarHBondContact O-N 3.14Å; Q772-L776 WeakPolarHBondContact O-CB 3.35Å; Q772-L776 PolarHBondContact O-N 2.72Å
773V95.3Very high93.9Very high11 Ų1175.6 Ų75.67%0.06738%0.375CS..Hα-helixtrans-69.1-38.8175.9177.80000111.3C726 F729 R730 L733 L769 R770 L776 E777C726-V773 HydrophobicContact CB-CG1 4.22Å; C726-V773 WeakPolarHBondContact O-CG1 3.3Å; F729-V773 HydrophobicContact CD1-CB 4.49Å; F729-V773 HydrophobicContact CD1-CG1 4Å; F729-V773 HydrophobicContact CD1-CG2 3.62Å; F729-V773 HydrophobicContact CE1-CG2 3.65Å; R730-V773 HydrophobicContact CB-CG1 3.96Å; L733-V773 HydrophobicContact CD1-CG2 4.39Å; L769-V773 WeakPolarHBondContact O-CG2 3.26Å; L769-V773 PolarHBondContact O-N 3.32Å; R770-V773 PolarHBondContact O-N 3.49Å; V773-L776 PolarHBondContact O-N 3.18Å; V773-E777 PolarHBondContact O-N 2.94Å
774A93.3Very high93.9Very high31 Ų3171.4 Ų71.426%0.25636%0.355SS..Hα-helixtrans-66-42.8175.100000112.3R770 Q771 E777 F778R770-A774 WeakPolarHBondContact O-CB 3.25Å; R770-A774 PolarHBondContact O-N 3.26Å; Q771-A774 PolarHBondContact O-N 3.25Å; A774-E777 PolarHBondContact O-N 3.22Å; A774-F778 WeakPolarHBondContact O-CB 3.49Å; A774-F778 PolarHBondContact O-N 3.01Å
775E96.2Very high93.7Very high85 Ų8571.2 Ų71.240%0.39735%0.348SS..Hα-helixtrans-62-43173.8179.961-151.600111.5Q771 F778 Q779Q771-E775 WeakPolarHBondContact O-CB 3.37Å; Q771-E775 PolarHBondContact O-N 3.35Å; E775-F778 PolarHBondContact O-N 3.2Å; E775-Q779 WeakPolarHBondContact O-CG 3.39Å; E775-Q779 PolarHBondContact O-N 2.96Å; E775-Q779 PolarHBondContact OE1-NE2 3.36Å
776L95.6Very high93.5Very high83 Ų8371.6 Ų71.644%0.43535%0.346SS..Hα-helixtrans-64.2-41.8176-178.860.1000112Q772 V773 F778 Q779 L780Q772-L776 WeakPolarHBondContact O-CB 3.35Å; Q772-L776 PolarHBondContact O-N 2.72Å; V773-L776 PolarHBondContact O-N 3.18Å; L776-F778 VanDerWaalsContact C-N 3.34Å; L776-F778 PolarHBondContact O-N 3.19Å; L776-Q779 PolarHBondContact O-N 3.1Å; L776-L780 HydrophobicContact CD1-CD1 4.1Å; L776-L780 HydrophobicContact CD1-CG 4.24Å; L776-L780 HydrophobicContact CG-CD1 3.95Å; L776-L780 WeakPolarHBondContact O-CB 3.22Å; L776-L780 WeakPolarHBondContact O-CD1 3.35Å; L776-L780 WeakPolarHBondContact O-CG 3.49Å; L776-L780 PolarHBondContact O-N 3.23Å
777E95.6Very high93.2Very high25 Ų2570 Ų7012%0.11734%0.343CS..Hα-helixtrans-59.5-45.5173.4-168.2-160.7129.500111.3K723 C726 Q727 R730 V773 A774 L780 G781K723-E777 HydrophobicContact CD-CG 4.19Å; K723-E777 WeakPolarHBondContact CE-OE1 3.38Å; K723-E777 HydrophobicContact CG-CG 3.36Å; K723-E777 IonicContact NZ-OE1 3.25Å; C726-E777 HydrophobicContact CB-CB 4.04Å; C726-E777 HydrophobicContact CB-CG 4.42Å; Q727-E777 WeakPolarHBondContact CA-OE2 3.46Å; Q727-E777 WeakPolarHBondContact CB-OE2 3.33Å; R730-E777 IonicContact CZ-OE2 3.52Å; R730-E777 IonicContact NH1-OE2 3.81Å; R730-E777 PolarHBondContact NH1-OE2 2.76Å; R730-E777 IonicContact NH2-OE2 2.76Å; R730-E777 PolarHBondContact NH2-OE2 3.35Å; V773-E777 PolarHBondContact O-N 2.94Å; A774-E777 PolarHBondContact O-N 3.22Å; E777-L780 PolarHBondContact O-N 3.1Å; E777-G781 PolarHBondContact O-N 3.26Å
778F94.5Very high92.8Very high134 Ų13469.5 Ų69.559%0.58834%0.337SS*.Hα-helixtrans-61.2-49.4178.5179.2-99.8000111.5A774 E775 L776 L780 G781 D782A774-F778 WeakPolarHBondContact O-CB 3.49Å; A774-F778 PolarHBondContact O-N 3.01Å; E775-F778 PolarHBondContact O-N 3.2Å; L776-F778 VanDerWaalsContact C-N 3.34Å; L776-F778 PolarHBondContact O-N 3.19Å; F778-L780 VanDerWaalsContact C-N 3.33Å; F778-L780 PolarHBondContact O-N 3.39Å; F778-G781 PolarHBondContact O-N 3.44Å; F778-D782 HydrophobicContact CE1-CB 4.49Å; F778-D782 WeakPolarHBondContact O-CB 3.49Å; F778-D782 PolarHBondContact O-N 3.01Å
779Q95.3Very high92.3Very high103 Ų10372 Ų7248%0.48134%0.341SS..Hα-helixtrans-62-37.6178.1-71.3-179.718.300112.9E775 L776 R783E775-Q779 WeakPolarHBondContact O-CG 3.39Å; E775-Q779 PolarHBondContact O-N 2.96Å; E775-Q779 PolarHBondContact OE1-NE2 3.36Å; L776-Q779 PolarHBondContact O-N 3.1Å; Q779-R783 WeakPolarHBondContact O-CB 3.37Å; Q779-R783 PolarHBondContact O-N 3.35Å
780L93.3Very high91.8Very high26 Ų2670.1 Ų70.114%0.13634%0.34CS..Hα-helixtrans-66.6-42.2174.8-73.2165.8000111.5M722 K723 L776 E777 F778 A784M722-L780 HydrophobicContact CB-CD1 3.88Å; M722-L780 HydrophobicContact CB-CD2 4.15Å; M722-L780 HydrophobicContact CG-CD1 3.53Å; M722-L780 HydrophobicContact CG-CD2 4.1Å; M722-L780 HydrophobicContact CG-CG 4.49Å; K723-L780 HydrophobicContact CB-CB 4.23Å; L776-L780 HydrophobicContact CD1-CD1 4.1Å; L776-L780 HydrophobicContact CD1-CG 4.24Å; L776-L780 HydrophobicContact CG-CD1 3.95Å; L776-L780 WeakPolarHBondContact O-CB 3.22Å; L776-L780 WeakPolarHBondContact O-CD1 3.35Å; L776-L780 WeakPolarHBondContact O-CG 3.49Å; L776-L780 PolarHBondContact O-N 3.23Å; E777-L780 PolarHBondContact O-N 3.1Å; F778-L780 VanDerWaalsContact C-N 3.33Å; F778-L780 PolarHBondContact O-N 3.39Å; L780-A784 WeakPolarHBondContact O-CB 3.16Å; L780-A784 PolarHBondContact O-N 2.89Å
781G92.1Very high91Very high12 Ų1270.4 Ų70.412%0.12434%0.343CS..Hα-helixtrans-65.9-51176.800000113.5E777 F778 A784 Q785E777-G781 PolarHBondContact O-N 3.26Å; F778-G781 PolarHBondContact O-N 3.44Å; G781-A784 PolarHBondContact O-N 2.97Å; G781-Q785 WeakPolarHBondContact O-CB 3.35Å; G781-Q785 PolarHBondContact O-N 3.38Å
782D93.5Very high90.1Very high82 Ų8270.4 Ų70.444%0.43935%0.346SS..Hα-helixtrans-60-50.1178.4176.675.7000111.2F778 A784 Q785 Q786F778-D782 HydrophobicContact CE1-CB 4.49Å; F778-D782 WeakPolarHBondContact O-CB 3.49Å; F778-D782 PolarHBondContact O-N 3.01Å; D782-A784 VanDerWaalsContact C-N 3.31Å; D782-A784 PolarHBondContact O-N 3.1Å; D782-Q785 CarbonylContact O-C 3.59Å; D782-Q785 WeakPolarHBondContact O-CB 3.24Å; D782-Q785 PolarHBondContact O-N 2.86Å; D782-Q785 VanDerWaalsContact O-N 3.12Å; D782-Q786 WeakPolarHBondContact O-CB 3.49Å; D782-Q786 PolarHBondContact O-N 3.3Å
783R91.5Very high89.3Confident139 Ų13968.7 Ų68.753%0.52534%0.341SS..Hα-helixtrans-67.3-31.3179.6-168.8-172.6174.6-100.41.1112.1M719 Q779 I787M719-R783 HydrophobicContact CE-CB 3.54Å; M719-R783 HydrophobicContact CE-CG 3.66Å; M719-R783 PolarHBondContact SD-NH1 3.4Å; Q779-R783 WeakPolarHBondContact O-CB 3.37Å; Q779-R783 PolarHBondContact O-N 3.35Å; R783-I787 HydrophobicContact CG-CD1 4.43Å; R783-I787 WeakPolarHBondContact O-CD1 3.4Å; R783-I787 VanDerWaalsContact O-CG1 3.24Å; R783-I787 WeakPolarHBondContact O-CG1 3.33Å; R783-I787 PolarHBondContact O-N 3.23Å; R783-I787 VanDerWaalsContact O-N 3.09Å
784A89.6Confident88.1Confident0 Ų074.3 Ų74.30%037%0.367CS..Hα-helixtrans-67.6-40.617200000111.4V716 M719 L780 G781 D782 I787 R788V716-A784 HydrophobicContact CG1-CB 4.36Å; M719-A784 HydrophobicContact CB-CB 4.07Å; M719-A784 HydrophobicContact CE-CB 4.08Å; M719-A784 VanDerWaalsContact CE-N 3.31Å; L780-A784 WeakPolarHBondContact O-CB 3.16Å; L780-A784 PolarHBondContact O-N 2.89Å; G781-A784 PolarHBondContact O-N 2.97Å; D782-A784 VanDerWaalsContact C-N 3.31Å; D782-A784 PolarHBondContact O-N 3.1Å; A784-I787 PolarHBondContact O-N 3.13Å; A784-R788 WeakPolarHBondContact O-CG 3.47Å; A784-R788 PolarHBondContact O-N 3Å; A784-R788 VanDerWaalsContact O-N 3.08Å
785Q89.1Confident86.9Confident95 Ų9574.9 Ų74.944%0.44437%0.365SS..Hα-helixtrans-64.4-45.8173.5179.8168.6-17.100112G781 D782 I787 R788 E789G781-Q785 WeakPolarHBondContact O-CB 3.35Å; G781-Q785 PolarHBondContact O-N 3.38Å; D782-Q785 CarbonylContact O-C 3.59Å; D782-Q785 WeakPolarHBondContact O-CB 3.24Å; D782-Q785 PolarHBondContact O-N 2.86Å; D782-Q785 VanDerWaalsContact O-N 3.12Å; Q785-I787 VanDerWaalsContact C-N 3.28Å; Q785-I787 PolarHBondContact O-N 3.13Å; Q785-R788 WeakPolarHBondContact O-CB 3.3Å; Q785-R788 PolarHBondContact O-N 3.32Å; Q785-R788 VanDerWaalsContact O-N 3.11Å; Q785-E789 HydrophobicContact CG-CG 4.29Å; Q785-E789 WeakPolarHBondContact CG-OE1 3.22Å; Q785-E789 PolarHBondContact NE2-OE1 2.87Å; Q785-E789 WeakPolarHBondContact O-CG 3.45Å; Q785-E789 PolarHBondContact O-N 3.43Å
786Q89.5Confident85.7Confident125 Ų12577 Ų7758%0.58438%0.375SS*.Hα-helixtrans-57.8-39.2175.9-174.1-177.165.400112.2D782 G790D782-Q786 WeakPolarHBondContact O-CB 3.49Å; D782-Q786 PolarHBondContact O-N 3.3Å; Q786-G790 PolarHBondContact O-N 3.08Å
787I85.2Confident84.4Confident37 Ų3778.6 Ų78.619%0.1939%0.388CS..Hα-helixtrans-67.2-44.8175.3-69.4165000110.7T715 V716 M719 R783 A784 Q785 I791T715-I787 HydrophobicContact CG2-CD1 4.44Å; V716-I787 HydrophobicContact CG2-CB 4.2Å; V716-I787 HydrophobicContact CG2-CG2 3.61Å; M719-I787 HydrophobicContact CE-CD1 4.27Å; M719-I787 HydrophobicContact SD-CD1 3.73Å; R783-I787 HydrophobicContact CG-CD1 4.43Å; R783-I787 WeakPolarHBondContact O-CD1 3.4Å; R783-I787 VanDerWaalsContact O-CG1 3.24Å; R783-I787 WeakPolarHBondContact O-CG1 3.33Å; R783-I787 PolarHBondContact O-N 3.23Å; R783-I787 VanDerWaalsContact O-N 3.09Å; A784-I787 PolarHBondContact O-N 3.13Å; Q785-I787 VanDerWaalsContact C-N 3.28Å; Q785-I787 PolarHBondContact O-N 3.13Å; I787-I791 HydrophobicContact CG2-CD1 3.74Å; I787-I791 WeakPolarHBondContact O-CD1 3.39Å; I787-I791 VanDerWaalsContact O-CG1 3.26Å; I787-I791 WeakPolarHBondContact O-CG1 3.28Å; I787-I791 PolarHBondContact O-N 3.38Å; I787-I791 VanDerWaalsContact O-N 3.11Å
788R83.9Confident82.6Confident76 Ų7681.9 Ų81.929%0.28741%0.406SS..Hα-helixtrans-58.2-50.8175-73.4-178.4-79.6-119.45.6112.2V716 E720 A784 Q785 I791 L792V716-R788 HydrophobicContact CB-CG 4.48Å; V716-R788 HydrophobicContact CG1-CG 3.7Å; V716-R788 VanDerWaalsContact CG1-NH1 3.3Å; V716-R788 HydrophobicContact CG2-CG 3.96Å; E720-R788 IonicContact OE1-CZ 3.33Å; E720-R788 IonicContact OE1-NH1 2.86Å; E720-R788 PolarHBondContact OE1-NH1 3.41Å; E720-R788 IonicContact OE1-NH2 2.94Å; E720-R788 PolarHBondContact OE1-NH2 3.41Å; E720-R788 IonicContact OE2-CZ 3.42Å; E720-R788 IonicContact OE2-NH1 2.74Å; E720-R788 PolarHBondContact OE2-NH1 3.49Å; A784-R788 WeakPolarHBondContact O-CG 3.47Å; A784-R788 PolarHBondContact O-N 3Å; A784-R788 VanDerWaalsContact O-N 3.08Å; Q785-R788 WeakPolarHBondContact O-CB 3.3Å; Q785-R788 PolarHBondContact O-N 3.32Å; Q785-R788 VanDerWaalsContact O-N 3.11Å; R788-I791 PolarHBondContact O-N 2.91Å; R788-L792 WeakPolarHBondContact O-CB 3.46Å; R788-L792 WeakPolarHBondContact O-CG 3.41Å; R788-L792 PolarHBondContact O-N 2.73Å
789E85.3Confident80.6Confident94 Ų9478.2 Ų78.244%0.43940%0.395SS..Hα-helixtrans-66.9-42.8-178-70.4177.9-170.300111.8Q785 I791 L792 L793Q785-E789 HydrophobicContact CG-CG 4.29Å; Q785-E789 WeakPolarHBondContact CG-OE1 3.22Å; Q785-E789 PolarHBondContact NE2-OE1 2.87Å; Q785-E789 WeakPolarHBondContact O-CG 3.45Å; Q785-E789 PolarHBondContact O-N 3.43Å; E789-I791 VanDerWaalsContact C-N 3.29Å; E789-I791 PolarHBondContact O-N 3.18Å; E789-L792 PolarHBondContact O-N 2.74Å; E789-L793 WeakPolarHBondContact O-CG 3.39Å; E789-L793 PolarHBondContact O-N 2.89Å
790G83.7Confident78.3Confident34 Ų3476.6 Ų76.635%0.35140%0.399SS..Hα-helixtrans-61.3-35.9176.900000113.3Q786 Q794Q786-G790 PolarHBondContact O-N 3.08Å; G790-Q794 PolarHBondContact O-N 3.33Å; G790-Q794 VanDerWaalsContact O-N 3.15Å
791I76.3Confident76.2Confident36 Ų3683.7 Ų83.719%0.18543%0.432CS..Hα-helixtrans-81.5-33.9177.8-59.5166.8000111.6V708 C712 I787 R788 E789 L793 Q794 L795V708-I791 HydrophobicContact CG1-CG2 3.5Å; C712-I791 VanDerWaalsContact SG-CD1 3.52Å; C712-I791 WeakPolarHBondContact SG-CG2 3.34Å; I787-I791 HydrophobicContact CG2-CD1 3.74Å; I787-I791 WeakPolarHBondContact O-CD1 3.39Å; I787-I791 VanDerWaalsContact O-CG1 3.26Å; I787-I791 WeakPolarHBondContact O-CG1 3.28Å; I787-I791 PolarHBondContact O-N 3.38Å; I787-I791 VanDerWaalsContact O-N 3.11Å; R788-I791 PolarHBondContact O-N 2.91Å; E789-I791 VanDerWaalsContact C-N 3.29Å; E789-I791 PolarHBondContact O-N 3.18Å; I791-L793 VanDerWaalsContact C-N 3.31Å; I791-L793 PolarHBondContact O-N 2.84Å; I791-Q794 PolarHBondContact O-N 2.75Å; I791-L795 PolarHBondContact O-N 2.88Å
792L76.3Confident73.9Confident114 Ų11488.6 Ų88.660%0.59746%0.461SS*.Hα-helixtrans-57.6-44168.6-80.5165.3000111.5R788 E789 L795 E796R788-L792 WeakPolarHBondContact O-CB 3.46Å; R788-L792 WeakPolarHBondContact O-CG 3.41Å; R788-L792 PolarHBondContact O-N 2.73Å; E789-L792 PolarHBondContact O-N 2.74Å; L792-L795 WeakPolarHBondContact O-CB 3.38Å; L792-L795 PolarHBondContact O-N 2.98Å; L792-E796 PolarHBondContact O-N 3.24Å
793L80Confident71.3Confident101 Ų10190 Ų9053%0.52948%0.475SS..Hα-helixtrans-65.6-36.8175.8-71.8166.9000112.6E789 I791 L795 E796 V797E789-L793 WeakPolarHBondContact O-CG 3.39Å; E789-L793 PolarHBondContact O-N 2.89Å; I791-L793 VanDerWaalsContact C-N 3.31Å; I791-L793 PolarHBondContact O-N 2.84Å; L793-L795 VanDerWaalsContact C-N 3.34Å; L793-E796 PolarHBondContact O-N 3.45Å; L793-V797 WeakPolarHBondContact O-CG2 3.39Å; L793-V797 PolarHBondContact O-N 3.28Å
794Q71.4Confident69Low128 Ų12892.2 Ų92.260%0.59849%0.491SS*.Hα-helixtrans-64.6-38.8171.1-76.9-171.9-5.600112.1G790 I791 V797 L798G790-Q794 PolarHBondContact O-N 3.33Å; G790-Q794 VanDerWaalsContact O-N 3.15Å; I791-Q794 PolarHBondContact O-N 2.75Å; Q794-V797 PolarHBondContact O-N 2.69Å; Q794-L798 WeakPolarHBondContact O-CB 3.02Å; Q794-L798 VanDerWaalsContact O-CG 3.29Å; Q794-L798 WeakPolarHBondContact O-CG 3.38Å; Q794-L798 PolarHBondContact O-N 2.89Å
795L66.8Low66.9Low44 Ų4499.7 Ų99.723%0.2353%0.526CS..Hα-helixtrans-67.7-38.4176.7-160.374.4000111.6V708 I791 L792 L793 L798 T799V708-L795 HydrophobicContact CB-CD1 4.48Å; V708-L795 HydrophobicContact CG1-CD1 4.3Å; V708-L795 HydrophobicContact CG2-CD1 4.28Å; I791-L795 PolarHBondContact O-N 2.88Å; L792-L795 WeakPolarHBondContact O-CB 3.38Å; L792-L795 PolarHBondContact O-N 2.98Å; L793-L795 VanDerWaalsContact C-N 3.34Å; L795-L798 CarbonylContact O-C 3.6Å; L795-L798 PolarHBondContact O-N 3.14Å; L795-T799 WeakPolarHBondContact O-CB 3.45Å; L795-T799 WeakPolarHBondContact O-CG2 3.06Å; L795-T799 PolarHBondContact O-N 2.8Å; L795-T799 PolarHBondContact O-OG1 3.37Å
796E70.4Confident64.4Low129 Ų129105.6 Ų105.660%0.60355%0.545SS*.Hα-helixtrans-61.9-45.3173.2-170.5171.9-158.600111.3L792 L793 L798 T799 A800L792-E796 PolarHBondContact O-N 3.24Å; L793-E796 PolarHBondContact O-N 3.45Å; E796-L798 VanDerWaalsContact C-N 3.32Å; E796-L798 PolarHBondContact O-N 2.92Å; E796-T799 PolarHBondContact O-N 3.03Å; E796-T799 VanDerWaalsContact O-N 3.16Å; E796-T799 PolarHBondContact O-OG1 3.15Å; E796-A800 PolarHBondContact O-N 3.06Å
797V68.3Low62Low117 Ų117105.2 Ų105.271%0.70956%0.557SS**Hα-helixtrans-64.3-33.1175171.10000112.7L793 Q794L793-V797 WeakPolarHBondContact O-CG2 3.39Å; L793-V797 PolarHBondContact O-N 3.28Å; Q794-V797 PolarHBondContact O-N 2.69Å
798L58.1Low60Low93 Ų93110.1 Ų110.149%0.48758%0.583SS.*Hα-helixtrans-80.7-14.2175.5-72.3171.2000113.9Q794 L795 E796Q794-L798 WeakPolarHBondContact O-CB 3.02Å; Q794-L798 VanDerWaalsContact O-CG 3.29Å; Q794-L798 WeakPolarHBondContact O-CG 3.38Å; Q794-L798 PolarHBondContact O-N 2.89Å; L795-L798 CarbonylContact O-C 3.6Å; L795-L798 PolarHBondContact O-N 3.14Å; E796-L798 VanDerWaalsContact C-N 3.32Å; E796-L798 PolarHBondContact O-N 2.92Å
799T52.8Low57.7Low58 Ų58114.9 Ų114.936%0.35661%0.614SS.*Hα-helixtrans-112-8.3-179.755.80000114.3L795 E796 E801L795-T799 WeakPolarHBondContact O-CB 3.45Å; L795-T799 WeakPolarHBondContact O-CG2 3.06Å; L795-T799 PolarHBondContact O-N 2.8Å; L795-T799 PolarHBondContact O-OG1 3.37Å; E796-T799 PolarHBondContact O-N 3.03Å; E796-T799 VanDerWaalsContact O-N 3.16Å; E796-T799 PolarHBondContact O-OG1 3.15Å; T799-E801 PolarHBondContact O-N 2.99Å
800A48.4Very low55.3Low69 Ų69117.9 Ų117.957%0.5763%0.627SS**SBendtrans-58.6121162.900000110.3E796E796-A800 PolarHBondContact O-N 3.06Å
801E47.5Very low53Low175 Ų175124.3 Ų124.382%0.81865%0.648SS**PPolyproline II helixtrans-64.6145.3177-70.8-167.213300111.5T799T799-E801 PolarHBondContact O-N 2.99Å
802P44.5Very low50.8Low114 Ų114132.4 Ų132.474%0.7468%0.678SS**PPolyproline II helixtrans-62.2132.5169.628-33.8000109.2E804P802-E804 PolarHBondContact O-N 2.95Å
803P38.4Very low48.7Very low113 Ų113132.8 Ų132.873%0.73468%0.681SS**PPolyproline II helixtrans-62137.5-176.324.4-33.9000111.6H805P803-H805 PolarHBondContact O-N 3.19Å
804E43Very low46.2Very low184 Ų184140.1 Ų140.186%0.8670%0.701SS**SBendtrans-68.252.7-176.1-65.9-163.4127.200114.6P802P802-E804 PolarHBondContact O-N 2.95Å
805H46.8Very low44.2Very low158 Ų158140.5 Ų140.573%0.73171%0.706SS**  trans-132.552.3-168.4-79.9-3.2000114.2P803P803-H805 PolarHBondContact O-N 3.19Å
806Y36.6Very low42.6Very low218 Ų218147 Ų14786%0.85574%0.735SS**  trans-145.136.3155.4-96.7-61.4000115.9N808Y806-N808 PolarHBondContact O-N 3.38Å
807S39.5Very low40.6Very low118 Ų118150 Ų15083%0.82575%0.749SS**  trans-73.339.2171.2-57.40000114.1
808N41.4Very low38.8Very low139 Ų139148.8 Ų148.874%0.74375%0.746SS**  trans-152.986.3176.4-91.7-63.2000111.3Y806Y806-N808 PolarHBondContact O-N 3.38Å
809L36Very low37.5Very low177 Ų177152.5 Ų152.593%0.92777%0.766SS**  trans-129.3129.3153.9-160.771.6000109
810H34.7Very low36.3Very low157 Ų157153.2 Ų153.273%0.72779%0.785SS**  trans-67.9137.1-168.9-108.3-88.7000112.8Y812H810-Y812 HydrophobicContact CB-CD2 4.33Å; H810-Y812 HydrophobicContact CB-CE2 4.18Å; H810-Y812 PolarHBondContact O-N 2.89Å
811Q37Very low35.5Very low168 Ų168158.8 Ų158.879%0.78580%0.799SS**  trans-59.496.9171.1-178-177.113.800111.3
812Y28.6Very low34.6Very low207 Ų207156.3 Ų156.381%0.81280%0.796SS**  trans-97.6121.2166.6-87.5-84.3000110.2H810 W814H810-Y812 HydrophobicContact CB-CD2 4.33Å; H810-Y812 HydrophobicContact CB-CE2 4.18Å; H810-Y812 PolarHBondContact O-N 2.89Å; Y812-W814 PolarHBondContact O-N 2.64Å
813N32.6Very low33.8Very low122 Ų122156.8 Ų156.865%0.65280%0.803SS**  trans-70.2121.3179.1-64.7-69.5000110.4I815N813-I815 HydrophobicContact CB-CG1 4.18Å; N813-I815 PolarHBondContact O-N 3.35Å
814W26.9Very low33.2Very low254 Ų254156.9 Ų156.996%0.96281%0.805SS**  trans-86.896.8158-135.6-111.4000108.1Y812Y812-W814 PolarHBondContact O-N 2.64Å
815I30.4Very low32.5Very low137 Ų137154.3 Ų154.370%0.70381%0.807SS**  trans-84.3125.8172-66.9-179.8000107.9N813 E817N813-I815 HydrophobicContact CB-CG1 4.18Å; N813-I815 PolarHBondContact O-N 3.35Å; I815-E817 PolarHBondContact O-N 3.12Å; I815-E817 VanDerWaalsContact O-N 3.16Å
816E32.6Very low31.8Very low179 Ų179155.7 Ų155.784%0.83681%0.811SS**  trans-72.399.9178-171.9171.6-15200110.2S818E816-S818 PolarHBondContact O-N 3.31Å
817E28.6Very low31.4Very low194 Ų194152.9 Ų152.991%0.90781%0.809SS**  trans-66.7115.4175.2-73.9-163.4138.700110.9I815I815-E817 PolarHBondContact O-N 3.12Å; I815-E817 VanDerWaalsContact O-N 3.16Å
818S30.5Very low31Very low91 Ų91156.2 Ų156.264%0.63681%0.811SS**  trans-123.197172.250.60000112.3E816E816-S818 PolarHBondContact O-N 3.31Å
819N30.2Very low31.1Very low170 Ų170155.5 Ų155.591%0.90981%0.814SS**  trans67.8153.6162.6-47.8-60000117.2
820G29Very low30.7Very low73 Ų73150.3 Ų150.375%0.75380%0.803SS**  trans139.336160.800000119.4T822G820-T822 PolarHBondContact O-N 3.16Å; G820-T822 VanDerWaalsContact O-N 3.13Å
821Q30.2Very low30.4Very low186 Ų186151.8 Ų151.887%0.86981%0.813SS**  trans-15.5106.3155.1176.2-167.9-23.300115.7
822T28Very low30.3Very low123 Ų123147.6 Ų147.676%0.75581%0.807SS**  176.9152.6127.426.20000115.8G820G820-T822 PolarHBondContact O-N 3.16Å; G820-T822 VanDerWaalsContact O-N 3.13Å
823S28.9Very low30.9Very low125 Ų125143.4 Ų143.487%0.87481%0.805SS**  trans77.8136.7155.378.30000119.3
824C26.2Very low30.7Very low115 Ų115147.4 Ų147.478%0.77781%0.811SS**  trans-110.7146.2179.5173.90000109.4
825S28.9Very low30.8Very low129 Ų129141.8 Ų141.890%0.90281%0.805SS**  trans-153.9147.3149.1-85.70000111.7
826K30.8Very low30.6Very low188 Ų188141.2 Ų141.282%0.81781%0.808SS**  trans-126.6143.1-172.6179.9179.8-171.5172.40107.4
827I27.5Very low30.3Very low158 Ų158140.4 Ų140.481%0.8180%0.802SS**  trans-177.4130.1151.9-96.8146.4000111
828H32.3Very low32Very low188 Ų188136.5 Ų136.587%0.8779%0.793SS**  trans-111.3149.7151.8-72-70.4000106.5
829P44.3Very low33.3Very low124 Ų124136.9 Ų136.981%0.80579%0.794SS**  -146.4-176.185.132.3-11000112.9
830G25.9Very low33.6Very low69 Ų69136 Ų13671%0.71179%0.789SS**  cis146.7167.2-8.800000113.8
831M29.8Very low34Very low187 Ų187140.3 Ų140.392%0.92180%0.795SS**  trans80.3125.8168.7-55.9-142.470.600121.2
832A33.3Very low34Very low80 Ų80134.6 Ų134.666%0.66179%0.786SS**  trans-95.4-174.2149.600000109.8
833P42.2Very low34.2Very low120 Ų120136.9 Ų136.978%0.77979%0.788SS**  -156.5139.8105.636.5-16.9000119.6
834R29.3Very low34.3Very low206 Ų206138.9 Ų138.978%0.77778%0.783SS**  trans29.6142130.8-76-178.2162.8-172.1-5.3124.3
835T28.3Very low34.7Very low135 Ų135137.6 Ų137.683%0.82878%0.781SS**  -167.1171.5110.719.40000108.6
836V26.3Very low35.5Very low126 Ų126137.1 Ų137.176%0.76478%0.775SS**  cis-125.8-144.44.6-158.70000109.3
837F26.9Very low35.3Very low161 Ų161134.2 Ų134.271%0.70678%0.777SS**  trans-162.8-155.3175.1-88-75.5000108.4
838P62.7Low35.3Very low112 Ų112132.9 Ų132.973%0.72778%0.782SS**  -118.9-148.1-86.343.1-25.6000110.6
839P58.4Low35.2Very low100 Ų100127.5 Ų127.565%0.64978%0.777SS**  cis-136.9-177.8-9.243.1-24.3000117
840D37.3Very low34.5Very low151 Ų151125.2 Ų125.281%0.80778%0.775SS**  trans39.1149147.8-51.4-17.1000121.9
841D36.3Very low34.5Very low164 Ų164128.3 Ų128.388%0.87778%0.781SS**  cis-152.416210-153.8-18.9000110.8
842G29.9Very low34.5Very low66 Ų66127.6 Ų127.668%0.6878%0.775SS**  trans118.1134.9161.700000120
843Q33.1Very low34.3Very low170 Ų170131.8 Ų131.879%0.79479%0.786SS**  trans-46.3162.1172.9-62.2172.3-69.300116.8
844E30Very low33.9Very low167 Ų167130.1 Ų130.178%0.7878%0.782SS**  cis-156.6174.8-4.3-121.4163.1-152.500110
845A34.5Very low33.8Very low88 Ų88124.3 Ų124.373%0.72778%0.778SS**  trans-129-167.3-178.900000110.2
846P46.9Very low33.6Very low119 Ų119127.5 Ų127.577%0.77378%0.781SS**  cis-126.6-168.3-15.233.1-11.8000111.3
847C26.3Very low33.9Very low128 Ų128127.6 Ų127.687%0.86578%0.782SS**  cis-153.1161.9-36.7-101.10000107.1
848S27.8Very low34.2Very low130 Ų130125.6 Ų125.691%0.90979%0.785SS**  trans-130.8149.6179.4-177.30000112.6
849G29.7Very low33.3Very low74 Ų74126.1 Ų126.176%0.76379%0.789SS**  trans-165.7156.9169.200000110
850G28.8Very low32Very low76 Ų76127.9 Ų127.978%0.78480%0.798SS**  cis-162.1141.7-4.300000111.9Q852G850-Q852 PolarHBondContact O-N 3.41Å
851T27.6Very low31.5Very low135 Ų135128.4 Ų128.483%0.82880%0.8SS**  trans-54.3117.4-176.1-38.50000112.4
852Q29.5Very low31.2Very low171 Ų171128.6 Ų128.680%0.79980%0.795SS**  56.6118.280.7-73.1-167.21.300117.8G850G850-Q852 PolarHBondContact O-N 3.41Å
853L29.3Very low31.1Very low168 Ų168133.3 Ų133.388%0.8881%0.805SS**  176.4150.1128.7-129.662.2000111.1
854A33.7Very low30.9Very low86 Ų86129.8 Ų129.871%0.71180%0.799SS**  cis-165.7162.1-45.200000111.1
855A26.3Very low30.8Very low84 Ų84127.8 Ų127.869%0.69480%0.798SS**  trans68.8147168.200000117.8
856F25Very low30.5Very low202 Ų202134.4 Ų134.489%0.88681%0.805SS**  cis-131.2167.914.2-83.1-95.8000114.2
857T31.7Very low29.6Very low128 Ų128137.4 Ų137.479%0.78581%0.811SS**  trans-148.4149.7174.952.10000108.5
858P33.8Very low29.6Very low119 Ų119136.1 Ų136.177%0.77380%0.803SS**  -156.8-155.774.942.3-20.3000113.8
859P43.3Very low30Very low123 Ų123136.3 Ų136.380%0.79980%0.801SS**  cis-118.7-168.1-49.228.4-7.5000113.4
860T30.5Very low29.9Very low137 Ų137138.6 Ų138.684%0.8481%0.805SS**  trans-91.8157.9-168.249.80000117.9
861L27Very low29.8Very low162 Ų162140.9 Ų140.985%0.84881%0.809SS**  trans-148.3161.3133.1-165.954.8000110.7
862E31.5Very low29.9Very low167 Ų167140.3 Ų140.378%0.7881%0.811SS**  trans-94.9158.4-165.5-58.7155.3104.500114.4
863N26.3Very low29.7Very low166 Ų166137.1 Ų137.189%0.88881%0.814SS**  -164.1162.8128.7-121.1-31.1000115
864S29.3Very low29.6Very low96 Ų96141.9 Ų141.967%0.67182%0.82SS**  trans-151.9161.1-176.9-162.90000108.9
865T27.8Very low29.3Very low124 Ų124142.2 Ų142.276%0.76182%0.823SS**  cis-148.5155.418.9-45.20000110.5
866R28Very low29.5Very low228 Ų228147.8 Ų147.886%0.8683%0.832SS**  trans-108.1120.2168.4-175.8-180-71.2-131.92.3110.7
867M27.7Very low29.6Very low182 Ų182146.5 Ų146.590%0.89783%0.833SS**  trans-83.3153.1165.6-78.4-70.1-147.900110.5
868S27.8Very low29.2Very low101 Ų101143.3 Ų143.371%0.70683%0.826SS**  trans-133.9133172.7-58.60000109.8
869P36Very low29.6Very low134 Ų134143.7 Ų143.787%0.8783%0.828SS**  trans-80.6141.8167.833-31.9000110.4
870S26.9Very low28.8Very low122 Ų122143.9 Ų143.985%0.85383%0.827SS**  trans-133148167540000109.7
871S27.8Very low29.5Very low123 Ų123142.6 Ų142.686%0.8682%0.821SS**  trans-77.3157.8-170.156.40000113.1
872S28.4Very low29.6Very low123 Ų123142.7 Ų142.786%0.8682%0.822SS**  trans-143.1140.6155.859.70000110.1
873A26.8Very low29.4Very low105 Ų105138.8 Ų138.887%0.86881%0.813SS**  trans-103.1152178.200000110.3
874W26.5Very low29.4Very low267 Ų267138.2 Ų138.2100%1.01181%0.81SS**  trans-97.9115.6-173.8-137.1-23.2000111.8
875A26.7Very low29.4Very low94 Ų94139.5 Ų139.578%0.77782%0.817SS**  trans-142.8146.1168.100000110.6
876K31.5Very low30.2Very low200 Ų200139 Ų13987%0.8782%0.817SS**  trans-79.7147.6-175.7-63.7170178171.70111.8
877L26Very low30.2Very low176 Ų176135.3 Ų135.392%0.92182%0.819SS**  174.5154118.3-92.2161.6000112.3
878G23.1Very low30.3Very low61 Ų61129.7 Ų129.763%0.62981%0.808SS**  trans-96.7-163.9161.800000111.3
879P42.5Very low30.4Very low127 Ų127132.3 Ų132.383%0.82581%0.809SS**  cis-139.5-157.819.843.1-22.8000115.6
880T27.3Very low30.3Very low127 Ų127133.4 Ų133.478%0.77980%0.8SS**  trans-56.7165.2179.3-6.10000116.2
881P43.9Very low30.6Very low109 Ų109134.5 Ų134.571%0.70880%0.796SS**  -157.9157.882.140.5-19.9000120.8
882L29.2Very low30.9Very low165 Ų165131.9 Ų131.986%0.86478%0.782SS**  trans64.5151.1148.8-94.573.6000120.5
883S28.1Very low31Very low85 Ų85133.3 Ų133.359%0.59478%0.78SS**  cis-160.8171.8-0.456.10000114.2
884N26.5Very low31.3Very low153 Ų153133.2 Ų133.282%0.81877%0.769SS**  trans92.3109.6154-61.9-22.4000121.2
885C28.2Very low31.7Very low123 Ų123129.6 Ų129.683%0.83176%0.76SS**  trans-79-177.2162.6-39.30000110.7
886P44.6Very low32.2Very low115 Ų115136.4 Ų136.475%0.74778%0.783SS**  -150.6-1785338.3-14.7000118.4
887V29.3Very low32.3Very low149 Ų149133.3 Ų133.390%0.90378%0.778SS**  trans76130167.6-1670000116.3
888G28.5Very low32.6Very low65 Ų65131 Ų13167%0.6777%0.771SS**  cis169156.2-10.300000115.3
889E30.9Very low33.1Very low156 Ų156134.9 Ų134.973%0.72978%0.778SS**  trans56.9135.3163.7-75.8-157.3128.100122.9
890K34Very low32.6Very low156 Ų156135.4 Ų135.468%0.67878%0.776SS**  trans72.5147.9144.5-72.3163.6-174.2146.50119.9
891D33Very low32.9Very low145 Ų145135.9 Ų135.978%0.77578%0.776SS**  cis-164.5162.4-30-140.8-31.5000109.4
892A33Very low32.2Very low69 Ų69137.7 Ų137.757%0.5778%0.78SS**  trans47.9139.7154.800000122.6
893D30.9Very low32.4Very low153 Ų153135.7 Ų135.782%0.81877%0.774SS**  trans66155131.3-73.36.2000120.8
894V34.7Very low32.7Very low103 Ų103139.6 Ų139.662%0.62479%0.788SS**  cis-166.1143.3-15.8115.50000107.7
895F32.9Very low33.2Very low191 Ų191138.5 Ų138.584%0.83879%0.785SS**  trans51.7130.2162.1-69.1-137.7000117.4
896L38.9Very low33.7Very low237 Ų237139.9 Ų139.9100%1.24178%0.781SS**  -161.1068.9-113.9168.6000111.1

Retrieved 896 of 896 residues in 117.2 ms (Link to these results)