A0A077Z801_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z801, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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
1M47.8Very low50.9Low246 Ų246153.1 Ų153.1100%1.21286%0.858SS**  0123.70-79.5179.8159.900109.8
2K48.1Very low50Low210 Ų210146.2 Ų146.291%0.91385%0.847SS**  trans-170.4106.9151.4-107.9175.7-177.5-175.90106.5
3G51Low49.6Very low78 Ų78145.8 Ų145.880%0.80484%0.839SS**  trans-80.2125.6166.500000107.7
4E57.5Low49.9Very low187 Ų187152.6 Ų152.687%0.87484%0.844SS**  trans-99.7109.6-176.6-161.2156.2-152.100109.9V6E4-V6 PolarHBondContact O-N 2.78Å
5S53.6Low50.5Low121 Ų121156.4 Ų156.485%0.84684%0.84SS**  trans-77.597.9-169.1-52.70000112S7S5-S7 PolarHBondContact O-N 3.04Å
6V58.1Low51.4Low141 Ų141159.3 Ų159.386%0.85584%0.843SS**  trans-81.3111.7173.1-176.70000110.4E4E4-V6 PolarHBondContact O-N 2.78Å
7S56.3Low52Low98 Ų98162.9 Ų162.969%0.68585%0.85SS**  trans-64.4143.9-176.2-177.60000114.1S5 N9S5-S7 PolarHBondContact O-N 3.04Å; S7-N9 PolarHBondContact O-N 3.1Å
8R56.2Low52.4Low220 Ų220156.8 Ų156.883%0.8383%0.833SS**  trans-77.695.8174.1-68.8177174.6171.5-2.9111.5N10R8-N10 PolarHBondContact O-N 3.47Å
9N48.4Very low53.3Low154 Ų154161.6 Ų161.682%0.82484%0.838SS**  trans-76.868.3164.6-84.2-7.4000111.9S7 G11S7-N9 PolarHBondContact O-N 3.1Å; N9-G11 PolarHBondContact O-N 3.43Å
10N41.1Very low54Low154 Ų154162.6 Ų162.682%0.82484%0.839SS**  trans-74.671.7167-82.9-11.1000110.1R8R8-N10 PolarHBondContact O-N 3.47Å
11G41.8Very low54.9Low75 Ų75164 Ų16477%0.77384%0.839SS**  trans-11991.1-170.700000114.9N9N9-G11 PolarHBondContact O-N 3.43Å
12G39.5Very low56.2Low70 Ų70163.4 Ų163.472%0.72282%0.823SS**  trans95.168.1149.900000118.6R14G12-R14 VanDerWaalsContact C-N 3.34Å; G12-R14 PolarHBondContact O-N 3.28Å
13L45.8Very low57.6Low142 Ų142161.6 Ų161.674%0.74382%0.818SS**  trans-6494.2153.4-8389.3000110.3
14R53.6Low59Low241 Ų241164.6 Ų164.691%0.90982%0.82SS**  trans-113.356.9156.2-82.5-166.8166.1-145.5-3.1111G12 K16G12-R14 VanDerWaalsContact C-N 3.34Å; G12-R14 PolarHBondContact O-N 3.28Å; R14-K16 PolarHBondContact O-N 3.28Å
15R58.1Low60.1Low209 Ų209157.9 Ų157.979%0.78979%0.79SS**  trans-6796.5167.2-57-172.3-156.6171.37.6108.4K17R15-K17 PolarHBondContact O-N 3.19Å; R15-K17 VanDerWaalsContact O-N 3.16Å
16K66.1Low61.5Low202 Ų202154.4 Ų154.488%0.87877%0.766SS**  trans-54.2122.4162.9-82.3-176173.5-1800107.1R14 G18R14-K16 PolarHBondContact O-N 3.28Å; K16-G18 PolarHBondContact O-N 3.21Å
17K61.7Low62.8Low221 Ų221155.5 Ų155.596%0.96176%0.759SS**  trans-69.858165.9-72.5-173.3176.8-177.90110R15 R19R15-K17 PolarHBondContact O-N 3.19Å; R15-K17 VanDerWaalsContact O-N 3.16Å; K17-R19 PolarHBondContact O-N 3.26Å
18G58.4Low64.1Low54 Ų54156.3 Ų156.356%0.55775%0.752SS**  trans-63.4132.2160.500000107.2K16 Q20K16-G18 PolarHBondContact O-N 3.21Å; G18-Q20 PolarHBondContact O-N 3.39Å
19R70Confident65.6Low247 Ų247150.2 Ų150.293%0.93273%0.733SS**  trans-60.589.2165.4-85.9-179.7160.3-169-6.4107.4K17 K21K17-R19 PolarHBondContact O-N 3.26Å; R19-K21 VanDerWaalsContact C-N 3.25Å; R19-K21 PolarHBondContact O-N 3.16Å
20Q67.6Low67.3Low182 Ų182149.6 Ų149.685%0.8572%0.72SS**  trans-61.998.5161.8-83179-37.300105.6G18 R22G18-Q20 PolarHBondContact O-N 3.39Å; Q20-R22 PolarHBondContact O-N 3.11Å
21K71.9Confident69.2Low193 Ų193146.9 Ų146.984%0.83971%0.705SS**  trans-55.4108.2165.1-67.5-175.5177.4-174.40105.1R19 Q23R19-K21 VanDerWaalsContact C-N 3.25Å; R19-K21 PolarHBondContact O-N 3.16Å; K21-Q23 PolarHBondContact O-N 3.32Å
22R75.3Confident71Confident233 Ų233151.2 Ų151.288%0.87970%0.703SS**  trans-55.3117171.3-67.4174.575.1-174.53.4104.9Q20 V24Q20-R22 PolarHBondContact O-N 3.11Å; R22-V24 PolarHBondContact O-N 2.6Å
23Q78.4Confident72.9Confident172 Ų172156.3 Ų156.380%0.80470%0.7SS**  trans-63.5106.6170.4-80.1-177.7-28.600105.8K21 L25K21-Q23 PolarHBondContact O-N 3.32Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.5Å
24V79.4Confident74.5Confident141 Ų141152.9 Ų152.986%0.85568%0.682SS**  trans-69.899.6167.1-178.50000104.6R22R22-V24 PolarHBondContact O-N 2.6Å
25L81.5Confident75.3Confident46 Ų46147.2 Ų147.224%0.24168%0.677CS.*  trans-60.6144.1172.4-64.4171.4000108.1Q23 E29Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.5Å; L25-E29 WeakPolarHBondContact CA-OE2 3.43Å; L25-E29 HydrophobicContact CB-CB 4.08Å; L25-E29 HydrophobicContact CD2-CB 4.42Å; L25-E29 WeakPolarHBondContact CD2-OE2 3.04Å
26S82.9Confident75.8Confident48 Ų48143.5 Ų143.534%0.33667%0.671SS.*  trans-64.4160.2172.188.50000110.2E28 E29 Y30S26-E28 WeakPolarHBondContact CB-OE2 3.36Å; S26-E28 PolarHBondContact O-N 2.93Å; S26-E28 PolarHBondContact OG-N 3.15Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; S26-E29 PolarHBondContact N-OE2 3.15Å; S26-E29 VanDerWaalsContact N-OE2 3.15Å; S26-E29 PolarHBondContact O-N 2.98Å; S26-E29 VanDerWaalsContact O-N 3.09Å; S26-E29 PolarHBondContact OG-N 3.29Å; S26-Y30 PolarHBondContact O-N 3.43Å
27K84.7Confident75.4Confident163 Ų163137.5 Ų137.571%0.70967%0.667SS**Hα-helixtrans-56.8-38.8178.2-173.3178.1178.6-179.30111.1Y30 L31K27-Y30 PolarHBondContact O-N 3.25Å; K27-L31 HydrophobicContact CG-CD1 4.33Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.38Å
28E83.7Confident75Confident115 Ų115134.1 Ų134.154%0.53766%0.658SS.*Hα-helixtrans-68.8-37.6177.7-49.375.8-160.300112.3S26 K32S26-E28 WeakPolarHBondContact CB-OE2 3.36Å; S26-E28 PolarHBondContact O-N 2.93Å; S26-E28 PolarHBondContact OG-N 3.15Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; E28-K32 WeakPolarHBondContact O-CB 3.18Å; E28-K32 VanDerWaalsContact O-CG 3.26Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 2.8Å
29E87.2Confident74.7Confident92 Ų92134.9 Ų134.943%0.4367%0.665SS.*Hα-helixtrans-67-37.9175.6-71.9-176.814700112.5L25 S26 R33L25-E29 WeakPolarHBondContact CA-OE2 3.43Å; L25-E29 HydrophobicContact CB-CB 4.08Å; L25-E29 HydrophobicContact CD2-CB 4.42Å; L25-E29 WeakPolarHBondContact CD2-OE2 3.04Å; S26-E29 PolarHBondContact N-OE2 3.15Å; S26-E29 VanDerWaalsContact N-OE2 3.15Å; S26-E29 PolarHBondContact O-N 2.98Å; S26-E29 VanDerWaalsContact O-N 3.09Å; S26-E29 PolarHBondContact OG-N 3.29Å; E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 2.94Å
30Y83.8Confident73.9Confident142 Ų142132.6 Ų132.656%0.55766%0.662SS**Hα-helixtrans-65.6-47.6174.4-176.8-98.7000111.3S26 K27 K32 R33 L34S26-Y30 PolarHBondContact O-N 3.43Å; K27-Y30 PolarHBondContact O-N 3.25Å; Y30-K32 VanDerWaalsContact C-N 3.3Å; Y30-K32 PolarHBondContact O-N 3.33Å; Y30-R33 WeakPolarHBondContact O-CA 3.12Å; Y30-R33 PolarHBondContact O-N 3.39Å; Y30-L34 HydrophobicContact CD1-CD2 4.42Å; Y30-L34 HydrophobicContact CD1-CG 4.38Å; Y30-L34 HydrophobicContact CE1-CD1 4.33Å; Y30-L34 HydrophobicContact CE1-CD2 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.09Å; Y30-L34 PolarHBondContact O-N 3.23Å; Y30-L34 VanDerWaalsContact O-N 3.09Å
31L80.9Confident73.1Confident97 Ų97134.8 Ų134.851%0.50866%0.663SS.*Hα-helixtrans-59.6-37.5177.3-70.4172.1000112.6K27 R33 L34K27-L31 HydrophobicContact CG-CD1 4.33Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.38Å; L31-R33 PolarHBondContact O-N 3.09Å; L31-L34 HydrophobicContact CD2-CD1 3.78Å; L31-L34 PolarHBondContact O-N 3.24Å
32K81.3Confident72.5Confident166 Ų166131.8 Ų131.872%0.72266%0.66SS**Hα-helixtrans-66.1-20.4173.6-75.1170.5-176.7175.30114.2E28 Y30E28-K32 WeakPolarHBondContact O-CB 3.18Å; E28-K32 VanDerWaalsContact O-CG 3.26Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 2.8Å; Y30-K32 VanDerWaalsContact C-N 3.3Å; Y30-K32 PolarHBondContact O-N 3.33Å
33R79.4Confident71.1Confident176 Ų176125.9 Ų125.966%0.66465%0.65SS**Hα-helixtrans-97.6-14.1178.4-71-177.7-172.5-158.25.2113.8E29 Y30 L31E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 2.94Å; Y30-R33 WeakPolarHBondContact O-CA 3.12Å; Y30-R33 PolarHBondContact O-N 3.39Å; L31-R33 PolarHBondContact O-N 3.09Å
34L77.8Confident69.9Low70 Ų70124.9 Ų124.937%0.36665%0.65SS.*SBendtrans-57.3142.1170.5-70.9179.8000108.8Y30 L31 I36Y30-L34 HydrophobicContact CD1-CD2 4.42Å; Y30-L34 HydrophobicContact CD1-CG 4.38Å; Y30-L34 HydrophobicContact CE1-CD1 4.33Å; Y30-L34 HydrophobicContact CE1-CD2 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.09Å; Y30-L34 PolarHBondContact O-N 3.23Å; Y30-L34 VanDerWaalsContact O-N 3.09Å; L31-L34 HydrophobicContact CD2-CD1 3.78Å; L31-L34 PolarHBondContact O-N 3.24Å; L34-I36 PolarHBondContact O-N 3.29Å
35P71.8Confident68.7Low123 Ų123125.6 Ų125.680%0.79965%0.649SS**  trans-59.710617325.5-32.8000107.8G37P35-G37 PolarHBondContact O-N 3.27Å
36I68.3Low67.4Low130 Ų130131 Ų13167%0.66768%0.678SS**  trans-64.2109.1176-52.7178.1000105.4L34 I38L34-I36 PolarHBondContact O-N 3.29Å; I36-I38 HydrophobicContact CB-CG1 4.24Å; I36-I38 HydrophobicContact CG2-CD1 4.19Å; I36-I38 HydrophobicContact CG2-CG1 3.67Å; I36-I38 PolarHBondContact O-N 3.05Å
37G58.4Low65.9Low77 Ų77131.8 Ų131.879%0.79469%0.694SS**  trans-69.764.2-178.400000112P35 G39P35-G37 PolarHBondContact O-N 3.27Å; G37-G39 PolarHBondContact O-N 3.43Å
38I52.2Low64.2Low149 Ų149129.5 Ų129.576%0.76470%0.698SS**  trans-73.495.7175.9-54.7-179.5000107.9I36 K40I36-I38 HydrophobicContact CB-CG1 4.24Å; I36-I38 HydrophobicContact CG2-CD1 4.19Å; I36-I38 HydrophobicContact CG2-CG1 3.67Å; I36-I38 PolarHBondContact O-N 3.05Å; I38-K40 PolarHBondContact O-N 2.84Å
39G51.8Low62.7Low70 Ų70129.6 Ų129.672%0.72270%0.702SS**SBendtrans91.9-5.4151.800000118.2G37 R41G37-G39 PolarHBondContact O-N 3.43Å; G39-R41 PolarHBondContact O-N 3.02Å
40K53.5Low61.3Low199 Ų199131 Ų13187%0.86572%0.72SS**  trans-86.390.9163.7-73-164.4176.2-169.80109.6I38 V42I38-K40 PolarHBondContact O-N 2.84Å; K40-V42 PolarHBondContact O-N 3.5Å
41R50.4Low59.8Low229 Ų229131.7 Ų131.786%0.86473%0.73SS**  trans-51.6122.8158.3-65.1177179.4-129.5-1106.6G39 T43G39-R41 PolarHBondContact O-N 3.02Å; R41-T43 PolarHBondContact O-N 3.04Å
42V59.4Low58.8Low129 Ų129135.1 Ų135.178%0.78274%0.743SS**  trans-72.790.8160.9179.30000104.5K40 L44K40-V42 PolarHBondContact O-N 3.5Å; V42-L44 PolarHBondContact O-N 3.3Å
43T45.4Very low57.5Low110 Ų110135.7 Ų135.768%0.67575%0.748SS**  trans-60.5115.6156.642.70000105.2R41 D45R41-T43 PolarHBondContact O-N 3.04Å; T43-D45 PolarHBondContact O-N 3.45Å; T43-D45 VanDerWaalsContact O-N 3.13Å
44L53Low56.6Low151 Ų151136 Ų13679%0.79176%0.755SS**  trans-62.8112.4162.7-65.5170.8000104.6V42 D46V42-L44 PolarHBondContact O-N 3.3Å; L44-D46 PolarHBondContact O-N 3.31Å; L44-D46 VanDerWaalsContact O-N 3.1Å
45D55.3Low55.9Low155 Ų155139 Ų13983%0.82977%0.771SS**  trans-72.4101.1-179.1-153.924.2000106.7T43 G47T43-D45 PolarHBondContact O-N 3.45Å; T43-D45 VanDerWaalsContact O-N 3.13Å; D45-G47 VanDerWaalsContact C-N 3.31Å; D45-G47 PolarHBondContact O-N 3.05Å
46D54.1Low55.3Low160 Ų160141.1 Ų141.186%0.85678%0.775SS**  trans-80.372.2-171.447.8-35.6000110.6L44L44-D46 PolarHBondContact O-N 3.31Å; L44-D46 VanDerWaalsContact O-N 3.1Å
47G51.6Low55.1Low65 Ų65142.5 Ų142.567%0.6778%0.784SS**  trans-157.412.5-168.500000119D45D45-G47 VanDerWaalsContact C-N 3.31Å; D45-G47 PolarHBondContact O-N 3.05Å
48S48.1Very low55.8Low114 Ų114142.4 Ų142.480%0.79777%0.765SS**  trans-149.6113.6169.7-610000111.2P50S48-P50 WeakPolarHBondContact O-CD 3.47Å
49D53Low56.5Low118 Ų118141.1 Ų141.163%0.63177%0.766SS**  trans-66.5121.4166.3-170.9-15.5000108.3M51D49-M51 PolarHBondContact O-N 3.11Å; D49-M51 WeakPolarHBondContact OD1-CB 3.46Å; D49-M51 PolarHBondContact OD1-N 2.82Å
50P57.6Low57Low122 Ų122144.7 Ų144.779%0.79277%0.768SS**SBendtrans-78.57.3177.834.5-36.5000113.2S48 E52S48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-E52 PolarHBondContact O-N 2.68Å
51M52Low57.2Low155 Ų155138.9 Ų138.976%0.76475%0.752SS**  trans-70.859.2155.3-61.4-135.6-52.700110.7D49 E53D49-M51 PolarHBondContact O-N 3.11Å; D49-M51 WeakPolarHBondContact OD1-CB 3.46Å; D49-M51 PolarHBondContact OD1-N 2.82Å; M51-E53 PolarHBondContact O-N 2.99Å
52E60Low57.6Low170 Ų170133.1 Ų133.179%0.79474%0.744SS**  trans-57.7123.8158.2-167.9168.1-139.800106.5P50 F54P50-E52 PolarHBondContact O-N 2.68Å; E52-F54 PolarHBondContact O-N 3.47Å
53E54.9Low57.2Low177 Ų177132.4 Ų132.483%0.82775%0.745SS**  trans-58.5113.8-172.1-66.4172.614900108.9M51 D55M51-E53 PolarHBondContact O-N 2.99Å; E53-D55 PolarHBondContact O-N 3.2Å
54F59.2Low57.7Low182 Ų182133.3 Ų133.380%0.79876%0.756SS**  trans-64.4104.3171.7-92.4-100.1000107.8E52 L56E52-F54 PolarHBondContact O-N 3.47Å; F54-L56 PolarHBondContact O-N 3.31Å
55D63.2Low57.8Low133 Ų133133.3 Ų133.371%0.71176%0.756SS**  trans-59.489.2167.3-83.8-29.1000108.8E53 D57 D58E53-D55 PolarHBondContact O-N 3.2Å; D55-D57 PolarHBondContact O-N 3.03Å; D55-D58 PolarHBondContact O-N 2.98Å
56L59.6Low57.7Low169 Ų169133.1 Ų133.189%0.88576%0.755SS**THydrogen-bonded Turntrans-60.1-11.1179.4-80.6154.2000113.3F54F54-L56 PolarHBondContact O-N 3.31Å
57D64.9Low57.8Low159 Ų159132.2 Ų132.285%0.8575%0.75SS**THydrogen-bonded Turntrans-98.46.3176.9-74-32.5000113.9D55 P59D55-D57 PolarHBondContact O-N 3.03Å; D57-P59 WeakPolarHBondContact O-CD 3.36Å
58D73Confident58Low75 Ų75136.5 Ų136.540%0.40176%0.758SS.*  trans-74.9109.2173.5-176.912.7000112D55 L60 C61D55-D58 PolarHBondContact O-N 2.98Å; D58-L60 PolarHBondContact O-N 2.96Å; D58-L60 VanDerWaalsContact O-N 3.15Å; D58-L60 VanDerWaalsContact OD1-CB 3.27Å; D58-L60 WeakPolarHBondContact OD1-CB 3.45Å; D58-L60 WeakPolarHBondContact OD1-CG 3.27Å; D58-L60 PolarHBondContact OD1-N 2.83Å; D58-C61 WeakPolarHBondContact O-CB 3.28Å; D58-C61 PolarHBondContact O-N 2.95Å; D58-C61 VanDerWaalsContact O-N 3.09Å
59P66.3Low58.5Low122 Ų122134.9 Ų134.979%0.79275%0.752SS**THydrogen-bonded Turntrans-71.5-4.5177.434.6-39.1000113.5D57 C61D57-P59 WeakPolarHBondContact O-CD 3.36Å; P59-C61 VanDerWaalsContact C-N 3.34Å
60L62.1Low58.7Low145 Ų145132.5 Ų132.576%0.75974%0.742SS**THydrogen-bonded Turntrans-85-8.6171.4-55.8177000112.7D58 P62D58-L60 PolarHBondContact O-N 2.96Å; D58-L60 VanDerWaalsContact O-N 3.15Å; D58-L60 VanDerWaalsContact OD1-CB 3.27Å; D58-L60 WeakPolarHBondContact OD1-CB 3.45Å; D58-L60 WeakPolarHBondContact OD1-CG 3.27Å; D58-L60 PolarHBondContact OD1-N 2.83Å; L60-P62 WeakPolarHBondContact O-CD 3.43Å
61C58.2Low59.1Low77 Ų77132.5 Ų132.552%0.5274%0.735SS.*SBendtrans-70.5110.7170-142.10000108.8D58 P59 S63D58-C61 WeakPolarHBondContact O-CB 3.28Å; D58-C61 PolarHBondContact O-N 2.95Å; D58-C61 VanDerWaalsContact O-N 3.09Å; P59-C61 VanDerWaalsContact C-N 3.34Å; C61-S63 PolarHBondContact O-N 3.38Å
62P58Low59.8Low108 Ų108130.3 Ų130.370%0.70173%0.727SS**  trans-67.2126.8-178.628.3-33.3000109.6L60 S64L60-P62 WeakPolarHBondContact O-CD 3.43Å; P62-S64 PolarHBondContact O-N 3.39Å; P62-S64 VanDerWaalsContact O-N 3.16Å
63S51.6Low60.4Low114 Ų114130.7 Ų130.780%0.79772%0.721SS**  trans-53.8121.5174.454.10000110C61 D65C61-S63 PolarHBondContact O-N 3.38Å; S63-D65 PolarHBondContact O-N 2.62Å
64S56.8Low61.2Low129 Ų129127.7 Ų127.790%0.90271%0.71SS**SBendtrans-78.543.9-157.564.80000115.7P62P62-S64 PolarHBondContact O-N 3.39Å; P62-S64 VanDerWaalsContact O-N 3.16Å
65D53.8Low61.9Low150 Ų150123.7 Ų123.780%0.80270%0.696SS**SBendtrans-122.714.6-166.2-15330.3000115.6S63S63-D65 PolarHBondContact O-N 2.62Å
66D53Low62.2Low152 Ų152121.9 Ų121.981%0.81369%0.686SS**SBendtrans-152.30.6178.3-126.2-17000119.8
67D56.1Low62.9Low140 Ų140117.9 Ų117.975%0.74967%0.665SS**SBendtrans-1141.1-168.2-99.5-39.8000118.3P70D67-P70 WeakPolarHBondContact O-CD 3.41Å
68D56.1Low63.1Low156 Ų156118.1 Ų118.183%0.83465%0.654SS**SBendtrans-82.9-10.7178.7-102.6-22.5000114.6
69A59.9Low62.9Low80 Ų80123.2 Ų123.266%0.66167%0.668SS**Hα-helixtrans-71.2-36-173.900000116.9
70P56.9Low62.8Low67 Ų67122.7 Ų122.744%0.43566%0.657SS.*Hα-helixtrans-88.7-36.5-17231.3-31.9000114.6D67 R73 L74D67-P70 WeakPolarHBondContact O-CD 3.41Å; P70-R73 PolarHBondContact O-N 3.4Å; P70-L74 PolarHBondContact O-N 2.88Å; P70-L74 VanDerWaalsContact O-N 3.16Å
71L65.4Low63Low123 Ų123120.8 Ų120.864%0.64466%0.657SS**Hα-helixtrans-69.6-43.9-169-161.678000112.2R73 L74 L75L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.95Å; L71-L74 PolarHBondContact O-N 3.45Å; L71-L75 PolarHBondContact O-N 3.04Å
72N67.8Low63.1Low109 Ų109124.7 Ų124.758%0.58367%0.667SS**Hα-helixtrans-65.1-36-179-156.2-0.8000111.6L75 L76N72-L75 PolarHBondContact O-N 2.91Å; N72-L76 PolarHBondContact O-N 3.17Å
73R71.1Confident63.2Low178 Ų178121 Ų12167%0.67264%0.644SS**Hα-helixtrans-67.9-42.4176.3-170.4172.1178177.50.4112.7P70 L71 L75 L76 D77P70-R73 PolarHBondContact O-N 3.4Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.95Å; R73-L75 VanDerWaalsContact C-N 3.27Å; R73-L75 PolarHBondContact O-N 3.38Å; R73-L76 PolarHBondContact O-N 3.02Å; R73-D77 PolarHBondContact O-N 3.47Å
74L73.1Confident63.9Low113 Ų113120.4 Ų120.459%0.59263%0.632SS**Hα-helixtrans-62-32175.5-81.5164.2000113.1P70 L71 R78P70-L74 PolarHBondContact O-N 2.88Å; P70-L74 VanDerWaalsContact O-N 3.16Å; L71-L74 PolarHBondContact O-N 3.45Å; L74-R78 PolarHBondContact O-N 3.27Å
75L73.1Confident64.3Low99 Ų99120.4 Ų120.452%0.51862%0.622SS.*Hα-helixtrans-70.4-42.5175.4-69.9171.4000112.1L71 N72 R73 R78 W79L71-L75 PolarHBondContact O-N 3.04Å; N72-L75 PolarHBondContact O-N 2.91Å; R73-L75 VanDerWaalsContact C-N 3.27Å; R73-L75 PolarHBondContact O-N 3.38Å; L75-R78 PolarHBondContact O-N 2.88Å; L75-W79 PolarHBondContact O-N 2.96Å; L75-W79 VanDerWaalsContact O-N 3.11Å
76L70.3Confident64.9Low95 Ų95119 Ų11950%0.49761%0.611SS.*Hα-helixtrans-62.4-49.6176.2-73.7165.9000111.9N72 R73 R78 W79 I80N72-L76 PolarHBondContact O-N 3.17Å; R73-L76 PolarHBondContact O-N 3.02Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 2.7Å; L76-W79 PolarHBondContact O-N 2.86Å; L76-W79 VanDerWaalsContact O-N 3.11Å; L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 2.75Å
77D74.3Confident65.6Low84 Ų84116.4 Ų116.445%0.44960%0.596SS.*Hα-helixtrans-61.4-34.8-179.3-72.3-17.9000112R73 S81R73-D77 PolarHBondContact O-N 3.47Å; D77-S81 WeakPolarHBondContact O-CB 3.39Å; D77-S81 PolarHBondContact O-N 2.81Å; D77-S81 VanDerWaalsContact O-N 3.12Å; D77-S81 PolarHBondContact O-OG 2.78Å
78R68.5Low66.1Low164 Ų164115.1 Ų115.162%0.61959%0.585SS**Hα-helixtrans-68.4-41.6174-116.6178.773-1550.8112.7L74 L75 L76 S81 E82L74-R78 PolarHBondContact O-N 3.27Å; L75-R78 PolarHBondContact O-N 2.88Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 2.7Å; R78-S81 PolarHBondContact O-N 2.78Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 2.82Å; R78-E82 VanDerWaalsContact O-N 3.11Å
79W67.5Low66.8Low182 Ų182111.3 Ų111.369%0.68957%0.57SS**Hα-helixtrans-67.9-38.1-179.4-173.861.1000112.4L75 L76 S83L75-W79 PolarHBondContact O-N 2.96Å; L75-W79 VanDerWaalsContact O-N 3.11Å; L76-W79 PolarHBondContact O-N 2.86Å; L76-W79 VanDerWaalsContact O-N 3.11Å; W79-S83 WeakPolarHBondContact O-CB 3.46Å; W79-S83 PolarHBondContact O-OG 2.89Å
80I64.8Low67.5Low111 Ų111112.7 Ų112.757%0.56956%0.561SS**Hα-helixtrans-64.8-43.5173.8-64.5164.7000110.5L76L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 2.75Å
81S65.9Low68.4Low106 Ų106112.6 Ų112.674%0.74157%0.566SS**Hα-helixtrans-76.7-22.3-174.4-56.30000115.3D77 R78D77-S81 WeakPolarHBondContact O-CB 3.39Å; D77-S81 PolarHBondContact O-N 2.81Å; D77-S81 VanDerWaalsContact O-N 3.12Å; D77-S81 PolarHBondContact O-OG 2.78Å; R78-S81 PolarHBondContact O-N 2.78Å
82E61.9Low68.7Low158 Ų158110.7 Ų110.774%0.73856%0.556SS**THydrogen-bonded Turntrans-96.7-0-177.8-157.6160.3-148.800112.5R78R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 2.82Å; R78-E82 VanDerWaalsContact O-N 3.11Å
83S59.1Low69Low32 Ų32108.9 Ų108.922%0.22455%0.552CS.*  trans-97.8100.2178.1-66.30000110.6W79 D85W79-S83 WeakPolarHBondContact O-CB 3.46Å; W79-S83 PolarHBondContact O-OG 2.89Å; S83-D85 PolarHBondContact O-N 2.84Å
84D67Low69.3Low101 Ų101104.1 Ų104.154%0.5455%0.551SS.*  trans-70.7108.6175-165.5-12.8000109.9E86 D87D84-E86 PolarHBondContact O-N 3.43Å; D84-E86 VanDerWaalsContact O-N 3.08Å; D84-E86 WeakPolarHBondContact OD1-CB 3.29Å; D84-E86 PolarHBondContact OD1-N 3.01Å; D84-D87 PolarHBondContact O-N 3.38Å
85D63.7Low69.7Low129 Ų129101.9 Ų101.969%0.6954%0.539SS*.Hα-helixtrans-54.1-29.1-178-74.3-40.4000112.8S83 D87 S89S83-D85 PolarHBondContact O-N 2.84Å; D85-D87 VanDerWaalsContact C-N 3.28Å; D85-D87 PolarHBondContact O-N 3.31Å; D85-S89 PolarHBondContact O-N 2.8Å; D85-S89 PolarHBondContact O-OG 3.09Å; D85-S89 VanDerWaalsContact O-OG 3.1Å
86E67.8Low70.1Confident121 Ų121102.1 Ų102.157%0.56555%0.546SS*.Hα-helixtrans-63-32.1175.9-73.1-69.715900112.1D84 K90D84-E86 PolarHBondContact O-N 3.43Å; D84-E86 VanDerWaalsContact O-N 3.08Å; D84-E86 WeakPolarHBondContact OD1-CB 3.29Å; D84-E86 PolarHBondContact OD1-N 3.01Å; E86-K90 WeakPolarHBondContact O-CE 3.4Å; E86-K90 VanDerWaalsContact O-CG 3.28Å; E86-K90 WeakPolarHBondContact O-CG 3.38Å; E86-K90 PolarHBondContact O-N 2.73Å; E86-K90 PolarHBondContact O-NZ 2.97Å
87D68.2Low70.6Confident96 Ų96104.4 Ų104.451%0.51356%0.555SS.*Hα-helixtrans-83.3-33.5-178.5-81.9-5.1000112.3D84 D85 K90 A91D84-D87 PolarHBondContact O-N 3.38Å; D85-D87 VanDerWaalsContact C-N 3.28Å; D85-D87 PolarHBondContact O-N 3.31Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 2.86Å; D87-K90 PolarHBondContact OD1-NZ 3.2Å; D87-A91 WeakPolarHBondContact O-CB 3.22Å; D87-A91 PolarHBondContact O-N 2.85Å
88F66.4Low70.8Confident114 Ų114104.9 Ų104.950%0.555%0.553SS.*Hα-helixtrans-63.3-42.3171.6-76.9-87000111.9K90 A91 L92F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 2.81Å; F88-A91 PolarHBondContact O-N 3.23Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.06Å
89S69.3Low71.5Confident76 Ų76100.5 Ų100.553%0.53154%0.544SS..Hα-helixtrans-61.9-37.1177.1-62.50000112.7D85 S93D85-S89 PolarHBondContact O-N 2.8Å; D85-S89 PolarHBondContact O-OG 3.09Å; D85-S89 VanDerWaalsContact O-OG 3.1Å; S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 3.02Å; S89-S93 PolarHBondContact O-OG 3.23Å
90K76.2Confident72.3Confident109 Ų10998.8 Ų98.847%0.47454%0.542SS..Hα-helixtrans-71.8-40.5173.7-67.2177.6-14893.50112.1E86 D87 F88 S93 A94E86-K90 WeakPolarHBondContact O-CE 3.4Å; E86-K90 VanDerWaalsContact O-CG 3.28Å; E86-K90 WeakPolarHBondContact O-CG 3.38Å; E86-K90 PolarHBondContact O-N 2.73Å; E86-K90 PolarHBondContact O-NZ 2.97Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 2.86Å; D87-K90 PolarHBondContact OD1-NZ 3.2Å; F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 2.81Å; K90-S93 WeakPolarHBondContact CA-OG 3.36Å; K90-S93 PolarHBondContact O-N 3.49Å; K90-S93 PolarHBondContact O-OG 2.94Å; K90-A94 WeakPolarHBondContact O-CB 3.34Å; K90-A94 PolarHBondContact O-N 3.38Å; K90-A94 VanDerWaalsContact O-N 3.1Å
91A75.1Confident73.3Confident64 Ų6495.3 Ų95.353%0.52953%0.534SS..Hα-helixtrans-64.1-44.4178.100000112D87 F88 A94D87-A91 WeakPolarHBondContact O-CB 3.22Å; D87-A91 PolarHBondContact O-N 2.85Å; F88-A91 PolarHBondContact O-N 3.23Å; A91-A94 PolarHBondContact O-N 2.97Å
92L71.1Confident74.3Confident84 Ų8496.2 Ų96.244%0.4452%0.524SS..Hα-helixtrans-66.8-40.2177-68.7172.9000112.4F88 A94 D95 F98F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.06Å; L92-A94 PolarHBondContact O-N 3.35Å; L92-D95 PolarHBondContact O-N 3.36Å; L92-F98 HydrophobicContact CB-CD1 3.94Å; L92-F98 HydrophobicContact CB-CD2 4.41Å; L92-F98 HydrophobicContact CB-CE1 3.93Å; L92-F98 HydrophobicContact CB-CE2 4.4Å; L92-F98 HydrophobicContact CB-CG 4.19Å; L92-F98 HydrophobicContact CB-CZ 4.17Å; L92-F98 HydrophobicContact CD1-CE2 4.38Å; L92-F98 HydrophobicContact CD1-CZ 4.37Å; L92-F98 HydrophobicContact CD2-CD2 4.27Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 WeakPolarHBondContact O-CB 3.37Å; L92-F98 WeakPolarHBondContact O-CD1 3.21Å
93S74.5Confident75.3Confident71 Ų7195.6 Ų95.650%0.49752%0.519SS..Hα-helixtrans-72.7-12.1176.153.10000114.5S89 K90 V99S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 3.02Å; S89-S93 PolarHBondContact O-OG 3.23Å; K90-S93 WeakPolarHBondContact CA-OG 3.36Å; K90-S93 PolarHBondContact O-N 3.49Å; K90-S93 PolarHBondContact O-OG 2.94Å; S93-V99 VanDerWaalsContact O-CG2 3.22Å; S93-V99 WeakPolarHBondContact O-CG2 3.2Å
94A77.6Confident76.6Confident78 Ų7898.3 Ų98.365%0.64553%0.528SS*.Hα-helixtrans-83.3-17.7169.600000113.5K90 A91 L92 P96K90-A94 WeakPolarHBondContact O-CB 3.34Å; K90-A94 PolarHBondContact O-N 3.38Å; K90-A94 VanDerWaalsContact O-N 3.1Å; A91-A94 PolarHBondContact O-N 2.97Å; L92-A94 PolarHBondContact O-N 3.35Å; A94-P96 WeakPolarHBondContact O-CD 3.41Å
95D81.8Confident77.4Confident65 Ų6596 Ų9635%0.34852%0.524SS..  trans-79.7117.4178.1-174.6-16000111.1L92 Q97 F98 V99L92-D95 PolarHBondContact O-N 3.36Å; D95-Q97 PolarHBondContact O-N 2.99Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.49Å; D95-Q97 PolarHBondContact OD1-N 3.15Å; D95-F98 HydrophobicContact CB-CB 4.01Å; D95-F98 PolarHBondContact O-N 3.33Å; D95-V99 WeakPolarHBondContact O-CG2 3.37Å; D95-V99 PolarHBondContact O-N 3.29Å
96P81Confident78.4Confident104 Ų10493.4 Ų93.468%0.67551%0.51SS*.Hα-helixtrans-59.1-29.4177.1-2334.7000114.2A94 K100A94-P96 WeakPolarHBondContact O-CD 3.41Å; P96-K100 VanDerWaalsContact O-CB 3.29Å; P96-K100 WeakPolarHBondContact O-CB 3.47Å; P96-K100 PolarHBondContact O-N 3.1Å
97Q80.7Confident79.2Confident143 Ų14393.9 Ų93.967%0.66851%0.512SS*.Hα-helixtrans-70.1-44.8177.1-63.9-168.9-38.500110.9D95 K100 G101D95-Q97 PolarHBondContact O-N 2.99Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.49Å; D95-Q97 PolarHBondContact OD1-N 3.15Å; Q97-K100 PolarHBondContact O-N 2.64Å; Q97-G101 PolarHBondContact O-N 3.18Å
98F79.4Confident79.8Confident94 Ų9494.4 Ų94.441%0.41251%0.509SS..Hα-helixtrans-65-43.6175.9-174.7-94.1000111.8L92 D95 K100 G101 K102L92-F98 HydrophobicContact CB-CD1 3.94Å; L92-F98 HydrophobicContact CB-CD2 4.41Å; L92-F98 HydrophobicContact CB-CE1 3.93Å; L92-F98 HydrophobicContact CB-CE2 4.4Å; L92-F98 HydrophobicContact CB-CG 4.19Å; L92-F98 HydrophobicContact CB-CZ 4.17Å; L92-F98 HydrophobicContact CD1-CE2 4.38Å; L92-F98 HydrophobicContact CD1-CZ 4.37Å; L92-F98 HydrophobicContact CD2-CD2 4.27Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 WeakPolarHBondContact O-CB 3.37Å; L92-F98 WeakPolarHBondContact O-CD1 3.21Å; D95-F98 HydrophobicContact CB-CB 4.01Å; D95-F98 PolarHBondContact O-N 3.33Å; F98-K100 VanDerWaalsContact C-N 3.33Å; F98-K100 PolarHBondContact O-N 3.22Å; F98-G101 PolarHBondContact O-N 3.23Å; F98-K102 WeakPolarHBondContact O-CB 3.39Å; F98-K102 PolarHBondContact O-N 3.28Å
99V82.1Confident80.4Confident73 Ų7395.5 Ų95.544%0.44252%0.516SS..Hα-helixtrans-61.2-41.2175.9173.60000111.6S93 D95 K103S93-V99 VanDerWaalsContact O-CG2 3.22Å; S93-V99 WeakPolarHBondContact O-CG2 3.2Å; D95-V99 WeakPolarHBondContact O-CG2 3.37Å; D95-V99 PolarHBondContact O-N 3.29Å; V99-K103 WeakPolarHBondContact O-CB 3.4Å; V99-K103 PolarHBondContact O-N 3.05Å
100K85.9Confident80.6Confident145 Ų14597.9 Ų97.963%0.6352%0.519SS*.Hα-helixtrans-64.6-48.7175-175.1-174.5174-168.60111.5P96 Q97 F98 K102 K103 E104P96-K100 VanDerWaalsContact O-CB 3.29Å; P96-K100 WeakPolarHBondContact O-CB 3.47Å; P96-K100 PolarHBondContact O-N 3.1Å; Q97-K100 PolarHBondContact O-N 2.64Å; F98-K100 VanDerWaalsContact C-N 3.33Å; F98-K100 PolarHBondContact O-N 3.22Å; K100-K102 VanDerWaalsContact C-N 3.34Å; K100-K102 PolarHBondContact O-N 3.48Å; K100-K103 PolarHBondContact O-N 3.24Å; K100-E104 WeakPolarHBondContact O-CB 3.33Å; K100-E104 PolarHBondContact O-N 2.79Å
101G84.3Confident80.2Confident39 Ų3995.4 Ų95.440%0.40252%0.515SS..Hα-helixtrans-60.3-42178.900000112.5Q97 F98 E104 A105Q97-G101 PolarHBondContact O-N 3.18Å; F98-G101 PolarHBondContact O-N 3.23Å; G101-E104 PolarHBondContact O-N 2.88Å; G101-A105 WeakPolarHBondContact O-CB 3.42Å; G101-A105 PolarHBondContact O-N 2.83Å
102K86.8Confident79.9Confident124 Ų12499 Ų9954%0.53952%0.519SS..Hα-helixtrans-61.3-49.1174-174.7177.4179.8177.90111.8F98 K100 E104 A105 D106F98-K102 WeakPolarHBondContact O-CB 3.39Å; F98-K102 PolarHBondContact O-N 3.28Å; K100-K102 VanDerWaalsContact C-N 3.34Å; K100-K102 PolarHBondContact O-N 3.48Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.32Å; K102-A105 WeakPolarHBondContact O-CB 3.45Å; K102-A105 PolarHBondContact O-N 3.41Å; K102-D106 VanDerWaalsContact O-CG 3.24Å; K102-D106 PolarHBondContact O-N 2.85Å
103K84Confident79.4Confident146 Ų14697.5 Ų97.564%0.63552%0.515SS*.Hα-helixtrans-59.9-41.3178-174.2-176.4175.1-172.20112.1V99 K100 D106 E107V99-K103 WeakPolarHBondContact O-CB 3.4Å; V99-K103 PolarHBondContact O-N 3.05Å; K100-K103 PolarHBondContact O-N 3.24Å; K103-D106 PolarHBondContact O-N 3.35Å; K103-E107 WeakPolarHBondContact O-CB 3.32Å; K103-E107 PolarHBondContact O-N 2.84Å
104E85.4Confident78.3Confident88 Ų88100.1 Ų100.141%0.41152%0.518SS..Hα-helixtrans-67.2-36.8177.1-170.5-178.2147.600112.1K100 G101 K102 K108K100-E104 WeakPolarHBondContact O-CB 3.33Å; K100-E104 PolarHBondContact O-N 2.79Å; G101-E104 PolarHBondContact O-N 2.88Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.32Å; E104-K108 HydrophobicContact CG-CD 4.41Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 VanDerWaalsContact O-CG 3.28Å; E104-K108 WeakPolarHBondContact O-CG 3.22Å; E104-K108 PolarHBondContact O-N 2.82Å; E104-K108 VanDerWaalsContact OE1-CE 3.27Å; E104-K108 WeakPolarHBondContact OE1-CE 3.36Å; E104-K108 IonicContact OE1-NZ 2.6Å; E104-K108 PolarHBondContact OE1-NZ 2.93Å
105A83.9Confident77.4Confident54 Ų54102.6 Ų102.645%0.44652%0.516SS..Hα-helixtrans-65.7-46.8173.300000111.8G101 K102 E107 K108 E109G101-A105 WeakPolarHBondContact O-CB 3.42Å; G101-A105 PolarHBondContact O-N 2.83Å; K102-A105 WeakPolarHBondContact O-CB 3.45Å; K102-A105 PolarHBondContact O-N 3.41Å; A105-E107 VanDerWaalsContact C-N 3.31Å; A105-E107 PolarHBondContact O-N 2.97Å; A105-K108 CarbonylContact O-C 3.52Å; A105-K108 PolarHBondContact O-N 3.31Å; A105-E109 PolarHBondContact O-N 3.38Å
106D84.1Confident76Confident74 Ų74109.2 Ų109.240%0.39654%0.536SS..Hα-helixtrans-59.5-40.8177-65.6-19.9000111.1K102 K103 E109 Q110K102-D106 VanDerWaalsContact O-CG 3.24Å; K102-D106 PolarHBondContact O-N 2.85Å; K103-D106 PolarHBondContact O-N 3.35Å; D106-E109 PolarHBondContact O-N 3.4Å; D106-Q110 WeakPolarHBondContact O-CG 3.37Å; D106-Q110 PolarHBondContact O-N 2.9Å
107E84.8Confident74.6Confident130 Ų130113.5 Ų113.561%0.60754%0.539SS*.Hα-helixtrans-68.7-38.9176.3-173171179.700112.6K103 A105 S111K103-E107 WeakPolarHBondContact O-CB 3.32Å; K103-E107 PolarHBondContact O-N 2.84Å; A105-E107 VanDerWaalsContact C-N 3.31Å; A105-E107 PolarHBondContact O-N 2.97Å; E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.1Å
108K82.4Confident73.3Confident107 Ų107114.7 Ų114.747%0.46554%0.544SS..Hα-helixtrans-66.4-34.7172.1-76.6174.1-173.3171.60112.3E104 A105 S111 K112E104-K108 HydrophobicContact CG-CD 4.41Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 VanDerWaalsContact O-CG 3.28Å; E104-K108 WeakPolarHBondContact O-CG 3.22Å; E104-K108 PolarHBondContact O-N 2.82Å; E104-K108 VanDerWaalsContact OE1-CE 3.27Å; E104-K108 WeakPolarHBondContact OE1-CE 3.36Å; E104-K108 IonicContact OE1-NZ 2.6Å; E104-K108 PolarHBondContact OE1-NZ 2.93Å; A105-K108 CarbonylContact O-C 3.52Å; A105-K108 PolarHBondContact O-N 3.31Å; K108-S111 WeakPolarHBondContact CA-OG 3.24Å; K108-S111 PolarHBondContact O-OG 2.77Å; K108-S111 VanDerWaalsContact O-OG 3.11Å; K108-K112 VanDerWaalsContact O-CB 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.41Å; K108-K112 WeakPolarHBondContact O-CD 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.18Å
109E78.6Confident71.9Confident138 Ų138116.6 Ų116.665%0.64556%0.558SS**Hα-helixtrans-71.8-44.4175.4-172172.1-173.500111.5A105 D106 S111 K112 S113A105-E109 PolarHBondContact O-N 3.38Å; D106-E109 PolarHBondContact O-N 3.4Å; E109-S111 PolarHBondContact O-N 3.21Å; E109-K112 PolarHBondContact O-N 3.21Å; E109-S113 WeakPolarHBondContact O-CB 3.39Å; E109-S113 PolarHBondContact O-N 3.43Å
110Q74Confident70.1Confident125 Ų125119.4 Ų119.458%0.58457%0.57SS**Hα-helixtrans-59.8-48.1175.7-73.2-168.729.600111.6D106 K112 S113 F114D106-Q110 WeakPolarHBondContact O-CG 3.37Å; D106-Q110 PolarHBondContact O-N 2.9Å; Q110-K112 PolarHBondContact O-N 2.89Å; Q110-S113 WeakPolarHBondContact O-CA 3.25Å; Q110-S113 WeakPolarHBondContact O-CB 3.47Å; Q110-S113 PolarHBondContact O-N 3Å; Q110-S113 PolarHBondContact O-OG 3.31Å; Q110-F114 WeakPolarHBondContact O-CD2 3.39Å; Q110-F114 PolarHBondContact O-N 2.76Å
111S67.6Low68.3Low57 Ų57116.7 Ų116.740%0.39957%0.567SS.*Hα-helixtrans-62.2-39.9176.852.60000113.1E107 K108 E109 S113 F114 Q115E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.1Å; K108-S111 WeakPolarHBondContact CA-OG 3.24Å; K108-S111 PolarHBondContact O-OG 2.77Å; K108-S111 VanDerWaalsContact O-OG 3.11Å; E109-S111 PolarHBondContact O-N 3.21Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.08Å; S111-F114 PolarHBondContact O-N 3.38Å; S111-Q115 PolarHBondContact O-N 3.42Å; S111-Q115 VanDerWaalsContact O-N 3.09Å
112K68.4Low66.5Low140 Ų140119.1 Ų119.161%0.60957%0.574SS**Hα-helixtrans-60.2-38.3169.3-76.9172-178.6-177.70112.1K108 E109 Q110 F114 Q115 R116K108-K112 VanDerWaalsContact O-CB 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.41Å; K108-K112 WeakPolarHBondContact O-CD 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.18Å; E109-K112 PolarHBondContact O-N 3.21Å; Q110-K112 PolarHBondContact O-N 2.89Å; K112-F114 PolarHBondContact O-N 3.34Å; K112-Q115 PolarHBondContact O-N 3.39Å; K112-R116 WeakPolarHBondContact O-CB 3.28Å; K112-R116 PolarHBondContact O-N 2.86Å
113S60Low64.6Low52 Ų52117.2 Ų117.236%0.36458%0.582SS.*Hα-helixtrans-66.9-34.1178.6860000112.9E109 Q110 S111 R117E109-S113 WeakPolarHBondContact O-CB 3.39Å; E109-S113 PolarHBondContact O-N 3.43Å; Q110-S113 WeakPolarHBondContact O-CA 3.25Å; Q110-S113 WeakPolarHBondContact O-CB 3.47Å; Q110-S113 PolarHBondContact O-N 3Å; Q110-S113 PolarHBondContact O-OG 3.31Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.08Å; S113-R117 PolarHBondContact O-N 2.55Å
114F52.4Low63Low127 Ų127118.1 Ų118.156%0.55759%0.586SS**Hα-helixtrans-68.6-47.4172-74.1-72.6000111.5Q110 S111 K112 R116 R117 E118Q110-F114 WeakPolarHBondContact O-CD2 3.39Å; Q110-F114 PolarHBondContact O-N 2.76Å; S111-F114 PolarHBondContact O-N 3.38Å; K112-F114 PolarHBondContact O-N 3.34Å; F114-R116 VanDerWaalsContact C-N 3.25Å; F114-R116 PolarHBondContact O-N 2.79Å; F114-R117 PolarHBondContact O-N 3.09Å; F114-E118 PolarHBondContact O-N 3.37Å
115Q57.3Low61.3Low130 Ų130118.5 Ų118.561%0.60759%0.59SS**Hα-helixtrans-58.4-36.8175.2-70-177.4500112.6S111 K112 R117 E118 L119S111-Q115 PolarHBondContact O-N 3.42Å; S111-Q115 VanDerWaalsContact O-N 3.09Å; K112-Q115 PolarHBondContact O-N 3.39Å; Q115-R117 VanDerWaalsContact C-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.08Å; Q115-E118 PolarHBondContact O-N 3.41Å; Q115-L119 PolarHBondContact O-N 3.4Å
116R53.3Low59.5Low204 Ų204121.1 Ų121.177%0.7760%0.6SS**Hα-helixtrans-72.5-19.8178.4-143.5177.2-166.9-173.84.3113.7K112 F114K112-R116 WeakPolarHBondContact O-CB 3.28Å; K112-R116 PolarHBondContact O-N 2.86Å; F114-R116 VanDerWaalsContact C-N 3.25Å; F114-R116 PolarHBondContact O-N 2.79Å
117R51.3Low57.8Low194 Ų194124.9 Ų124.973%0.73262%0.615SS**Hα-helixtrans-83.1-30.7172-73.6-175.9-173.9-178.95.1113S113 F114 Q115S113-R117 PolarHBondContact O-N 2.55Å; F114-R117 PolarHBondContact O-N 3.09Å; Q115-R117 VanDerWaalsContact C-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.08Å
118E53.2Low56.2Low167 Ų167126.2 Ų126.278%0.7862%0.619SS**Hα-helixtrans-77.6-26.1177.8-66.6-161.2154.700113.6F114 Q115 L120F114-E118 PolarHBondContact O-N 3.37Å; Q115-E118 PolarHBondContact O-N 3.41Å; E118-L120 PolarHBondContact O-N 3.4Å
119L51.2Low54.8Low135 Ų135125.7 Ų125.771%0.70762%0.624SS**THydrogen-bonded Turntrans-79.94.2179.3-73.4170.2000115Q115Q115-L119 PolarHBondContact O-N 3.4Å
120L42.6Very low53.2Low132 Ų132126.8 Ų126.869%0.69163%0.63SS**SBendtrans-139.8107.3175.9-72.6164.8000109.1E118E118-L120 PolarHBondContact O-N 3.4Å
121P49.1Very low51.9Low87 Ų87128.3 Ų128.357%0.56564%0.637SS**SBendcis-143.564.733.341.3-19.7000115.4
122T46.3Very low51.1Low90 Ų90129 Ų12955%0.55265%0.646SS**G310 helixtrans-71.6-28.3171.3430000113.2K124 I125 V126T122-K124 PolarHBondContact O-N 3.34Å; T122-K124 VanDerWaalsContact O-N 3.15Å; T122-I125 PolarHBondContact O-N 3.1Å; T122-V126 PolarHBondContact O-N 2.89Å
123A47.8Very low50Low85 Ų85126.7 Ų126.770%0.70265%0.653SS**G310 helixtrans-59.1-25.7177.300000114.3
124K48.8Very low49.4Very low164 Ų164135.3 Ų135.371%0.71368%0.677SS**G310 helixtrans-92.5-3.4175.7-72.7-172.5175.7-178.60114.3T122T122-K124 PolarHBondContact O-N 3.34Å; T122-K124 VanDerWaalsContact O-N 3.15Å
125I50Low49.1Very low97 Ų97137.4 Ų137.450%0.49769%0.689SS.*THydrogen-bonded Turntrans-93.4-36.6-179.1-62.1176.9000110.8T122 E127 K128 V129T122-I125 PolarHBondContact O-N 3.1Å; I125-E127 VanDerWaalsContact C-N 3.3Å; I125-E127 PolarHBondContact O-N 2.77Å; I125-K128 PolarHBondContact O-N 3.19Å; I125-K128 VanDerWaalsContact O-N 3.16Å; I125-V129 HydrophobicContact CG2-CG2 4.18Å; I125-V129 WeakPolarHBondContact O-CG2 3.49Å; I125-V129 PolarHBondContact O-N 3.06Å; I125-V129 VanDerWaalsContact O-N 3.11Å
126V47.4Very low48.2Very low108 Ų108135.3 Ų135.366%0.65570%0.702SS**Hα-helixtrans-60.2-38.6179.6-177.50000112T122T122-V126 PolarHBondContact O-N 2.89Å
127E47.5Very low47.7Very low153 Ų153135.3 Ų135.372%0.71571%0.707SS**Hα-helixtrans-68.7-36.1177.6-165.8174.8-161.800112.8I125I125-E127 VanDerWaalsContact C-N 3.3Å; I125-E127 PolarHBondContact O-N 2.77Å
128K50.5Low47Very low159 Ų159132.6 Ų132.669%0.69171%0.713SS**Hα-helixtrans-75.7-28.7179-76.2-168.4172.4-171.40113.9I125 Q130 Q131 A132I125-K128 PolarHBondContact O-N 3.19Å; I125-K128 VanDerWaalsContact O-N 3.16Å; K128-Q130 VanDerWaalsContact C-N 3.34Å; K128-Q131 PolarHBondContact O-N 3.46Å; K128-A132 PolarHBondContact O-N 2.99Å
129V54.1Low46.6Very low95 Ų95130.5 Ų130.558%0.57671%0.714SS**Hα-helixtrans-69.6-31178.7173.60000111.9I125I125-V129 HydrophobicContact CG2-CG2 4.18Å; I125-V129 WeakPolarHBondContact O-CG2 3.49Å; I125-V129 PolarHBondContact O-N 3.06Å; I125-V129 VanDerWaalsContact O-N 3.11Å
130Q45.1Very low45.8Very low162 Ų162133.5 Ų133.576%0.75772%0.724SS**Hα-helixtrans-70.3-27.5175-83.8-169.4-1.600114.2K128K128-Q130 VanDerWaalsContact C-N 3.34Å
131Q46.2Very low45.5Very low156 Ų156136.7 Ų136.773%0.72973%0.732SS**Hα-helixtrans-81.6-40.3175.3-78.3-176.7-17.900112.8K128 A133 R134K128-Q131 PolarHBondContact O-N 3.46Å; Q131-A133 PolarHBondContact O-N 3.25Å; Q131-R134 PolarHBondContact O-N 3.44Å
132A51.3Low44.8Very low73 Ų73141.3 Ų141.360%0.60375%0.746SS**Hα-helixtrans-65.4-21.6-177.100000114.1K128 R134K128-A132 PolarHBondContact O-N 2.99Å; A132-R134 PolarHBondContact O-N 3.09Å
133A44.8Very low44.7Very low90 Ų90144.2 Ų144.274%0.74476%0.757SS**THydrogen-bonded Turntrans-73.6-5.2178.800000114.9Q131Q131-A133 PolarHBondContact O-N 3.25Å
134R48.3Very low44.3Very low233 Ų233145.1 Ų145.188%0.87976%0.756SS**THydrogen-bonded Turntrans-105.6-12.3178.4-82.1-169.8171.3-170.5-1.4115.7Q131 A132Q131-R134 PolarHBondContact O-N 3.44Å; A132-R134 PolarHBondContact O-N 3.09Å
135E44.3Very low44.1Very low172 Ų172143.4 Ų143.480%0.80476%0.762SS**  trans-119.188.1179.7-67.9-165176.400111.6K137E135-K137 PolarHBondContact O-N 3.15Å
136G39.5Very low43.5Very low85 Ų85145 Ų14588%0.87678%0.776SS**  trans-69.298.5171.600000111.9
137K42.4Very low43.1Very low204 Ų204144.8 Ų144.889%0.88778%0.777SS**  trans-132.4129.9154.8-92.1178.9179.6171.60110.7E135E135-K137 PolarHBondContact O-N 3.15Å
138T37.5Very low43.4Very low137 Ų137143.7 Ų143.784%0.8478%0.783SS**  trans-74.2159.3-172.235.10000112.9
139P44.9Very low42.8Very low124 Ų124143.6 Ų143.681%0.80579%0.79SS**  trans-86136.4-160.232.7-35.3000113.5
140Q33.7Very low41.8Very low197 Ų197144.5 Ų144.592%0.92180%0.801SS**  trans-95.5114.4157.8-82.1-174.1-43.900110.3
141K35.7Very low41.9Very low200 Ų200142.1 Ų142.187%0.8780%0.799SS**  trans-63.6127.3152.4-97.6177.3169177.60107.6
142E36Very low41.2Very low183 Ų183139 Ų13986%0.85580%0.8SS**  trans-168.2119.9136-109.5159.6-14700112.7
143I42.9Very low40.6Very low151 Ų151145 Ų14577%0.77482%0.816SS**  trans37.2128.4141.4-52.8176.6000119.2
144P40.1Very low40.3Very low105 Ų105145.1 Ų145.168%0.68282%0.816SS**  trans-67.9155.2-177.329.8-37.6000114.2T146P144-T146 PolarHBondContact O-N 3.03Å
145P44.5Very low39.8Very low128 Ų128144 Ų14483%0.83182%0.818SS**  trans-73.7112.1-177.829.5-34.7000112.4
146T36.5Very low39.6Very low129 Ų129141.9 Ų141.979%0.79182%0.822SS**PPolyproline II helixtrans-69.7131.8162.1-39.50000108.9P144P144-T146 PolarHBondContact O-N 3.03Å
147P39.6Very low39.7Very low105 Ų105141.5 Ų141.568%0.68281%0.811SS**PPolyproline II helixtrans-70145.3-171.727-35.4000113
148P54Low39.4Very low130 Ų130140.9 Ų140.984%0.84481%0.811SS**PPolyproline II helixtrans-72.7132.9178.329.3-34000112
149N38.1Very low39.6Very low157 Ų157142.1 Ų142.184%0.8481%0.812SS**PPolyproline II helixtrans-89145.3165.8-86.2-47.6000110.6
150S32.5Very low39.3Very low114 Ų114144.9 Ų144.980%0.79781%0.814SS**  trans76.6164.8157.4-128.60000117.1
151P48.6Very low39.6Very low112 Ų112139.7 Ų139.773%0.72781%0.805SS**  -136.6176.8-85.842-25.8000115.3
152A31.4Very low40.3Very low90 Ų90139.6 Ų139.674%0.74481%0.805SS**  trans51.2110.914600000121
153E37Very low40.3Very low200 Ų200135.5 Ų135.594%0.93580%0.796SS**  trans159.4149.2137-92.3-178.1-176.100108.9
154A38.4Very low40.4Very low92 Ų92135.4 Ų135.476%0.7680%0.798SS**  cis-148.1165-1800000109.5
155K38Very low40.4Very low210 Ų210134.3 Ų134.391%0.91379%0.792SS**  trans-49.4132.3-177.1-58.7160.2-178.7173.80113.8
156S41Very low40Very low126 Ų126134.7 Ų134.788%0.88179%0.787SS**  trans-118.4141.2141.2-167.90000108.1
157A40.9Very low39.5Very low78 Ų78133.3 Ų133.365%0.64578%0.779SS**  trans-118169-17300000110.9
158Q35.7Very low39.2Very low191 Ų191135.8 Ų135.889%0.89378%0.781SS**  trans73.7121.4-177.1-46.9179.1-7300111.5
159D42.8Very low37.9Very low162 Ų162136.7 Ų136.787%0.86678%0.779SS**  -135.5169.553.1-132-30.7000115.5
160E38.3Very low37.5Very low182 Ų182132.7 Ų132.785%0.8578%0.775SS**  trans-91.2174.9-166.1-66.8-162.4138.500116.9
161A41Very low37.3Very low88 Ų88135.1 Ų135.173%0.72777%0.773SS**  trans8778.5147.100000120.3
162K48.5Very low36.7Very low199 Ų199138.6 Ų138.687%0.86578%0.777SS**  160.2116.9119.7-88.1168.1-175.1179.50109.7
163S37.4Very low37.1Very low97 Ų97139.6 Ų139.668%0.67879%0.785SS**  cis50.8123.140.2-174.30000112.1
164N43.6Very low37Very low149 Ų149134.7 Ų134.780%0.79778%0.779SS**  cis-167.51760.4-111.98.6000106.1
165S41Very low36.7Very low82 Ų82140 Ų14057%0.57379%0.785SS**  cis-175.9140.6-11.748.30000105.3
166N35.2Very low37Very low135 Ų135134.8 Ų134.872%0.72277%0.772SS**  158.2137.990-109.5-0.4000106.7
167T26.7Very low36.5Very low100 Ų100135.9 Ų135.961%0.61377%0.769SS**  49.4144.4105.159.90000116.5
168E33.1Very low36.4Very low157 Ų157137.3 Ų137.373%0.73478%0.78SS**  cis-157.7153.620.6-137.4145.6-129.300113
169D27.3Very low36.6Very low150 Ų150133.1 Ų133.180%0.80278%0.778SS**  trans16147.4143.7-65.6-36.7000123.7
170G29.2Very low36.6Very low73 Ų73130.8 Ų130.875%0.75377%0.774SS**  trans-161.611.2179.400000120.3
171H28.3Very low36.7Very low164 Ų164132 Ų13276%0.75978%0.777SS**  trans45.6136.1158.9-87.3-50.9000124.4
172K36.5Very low36.6Very low186 Ų186131.6 Ų131.681%0.80978%0.781SS**  trans72.997.5142.7-68.2175.7-174178.20119.6
173A38.3Very low36.4Very low111 Ų111132.6 Ų132.692%0.91779%0.786SS**  trans-87119145.200000110.1
174A36.5Very low36.2Very low97 Ų97133 Ų13380%0.80280%0.795SS**  trans-105.8145.4168.700000110
175K30.9Very low36.4Very low202 Ų202130.4 Ų130.488%0.87879%0.794SS**  trans-93-166.9175.5-58.8-171.7170.1-175.10111
176P45.5Very low36.8Very low101 Ų101133.7 Ų133.766%0.65681%0.805SS**  -131.8-141.2-100.940.7-18.5000111.9
177D29.6Very low37Very low150 Ų150134.6 Ų134.680%0.80281%0.805SS**  trans79.8101158.8-62.9-32.3000120.3
178A39Very low37.6Very low108 Ų108135.7 Ų135.789%0.89381%0.812SS**  trans-130.7117.4138.300000108.7
179A40.5Very low37.8Very low102 Ų102134.3 Ų134.384%0.84381%0.814SS**  trans-82.3154.4-170.400000114.3
180S42.4Very low38.9Very low113 Ų113135.9 Ų135.979%0.7982%0.816SS**  trans-160.3106.2138-1640000114.3
181K39.3Very low39.5Very low207 Ų207138 Ų13890%0.981%0.807SS**  trans33.9107.2143.9-66175.8176.3173.80119.9
182G40.7Very low40.5Very low80 Ų80138.3 Ų138.383%0.82581%0.814SS**  trans-128.3130141.500000109
183K44Very low40.9Very low221 Ų221136.6 Ų136.696%0.96181%0.807SS**  trans-86.2124.5-179.5-80.7-174.4169.6-170.10111
184A33Very low40.8Very low104 Ų104138.7 Ų138.786%0.8680%0.802SS**  trans-150.8114.5158.600000110
185A46.7Very low41Very low95 Ų95141 Ų14179%0.78580%0.801SS**  trans-178.9136.4170.600000103.6
186D50.1Low41.4Very low151 Ų151140.1 Ų140.181%0.80780%0.797SS**  cis-136.6178.122.3-118.5-31.6000108.2
187E39.3Very low41.2Very low154 Ų154144.3 Ų144.372%0.7281%0.808SS**  cis-158.2156.118.5-146.1179.9152.500111.6
188T40Very low41.4Very low124 Ų124145.1 Ų145.176%0.76181%0.807SS**  trans59.7125.6154.838.90000123.6
189V37.5Very low40.9Very low127 Ų127148.3 Ų148.377%0.7780%0.804SS**  trans-70.6145.4159.7169.30000110.8
190E50.9Low41.1Very low183 Ų183148.9 Ų148.986%0.85580%0.799SS**  trans-138.9149.4148-100.9-57163.600110.8
191E40.1Very low41Very low118 Ų118149 Ų14955%0.55180%0.797SS**  trans-110.9103.5-162-178.9178.3-169.500111.4K193E191-K193 HydrophobicContact CG-CG 4.43Å; E191-K193 WeakPolarHBondContact OE1-CD 3.42Å; E191-K193 WeakPolarHBondContact OE1-CE 3.46Å; E191-K193 IonicContact OE1-NZ 2.78Å; E191-K193 PolarHBondContact OE1-NZ 3.25Å
192N50.6Low41.2Very low170 Ų170145 Ų14591%0.90979%0.79SS**  trans-98.686.9168.2-84.2-39.5000110.9
193K43.6Very low41.1Very low150 Ų150145.8 Ų145.865%0.65279%0.788SS**  trans-86.4157.9148.9-71169179.8153.20108.3E191E191-K193 HydrophobicContact CG-CG 4.43Å; E191-K193 WeakPolarHBondContact OE1-CD 3.42Å; E191-K193 WeakPolarHBondContact OE1-CE 3.46Å; E191-K193 IonicContact OE1-NZ 2.78Å; E191-K193 PolarHBondContact OE1-NZ 3.25Å
194D36.7Very low40.9Very low155 Ų155146.1 Ų146.183%0.82979%0.785SS**  trans95.5116.3-175.5-53.1-21.6000111.8
195D41.6Very low41.2Very low145 Ų145145.3 Ų145.378%0.77578%0.779SS**  cis-158155.435.5-141.4-25.6000113Q197D195-Q197 PolarHBondContact O-N 2.93Å
196K39.4Very low41.3Very low184 Ų184148.6 Ų148.680%0.878%0.783SS**  trans-85.7105.3173.3-76.9178.2178.7172.70109.9
197Q40.4Very low40.7Very low190 Ų190149.1 Ų149.189%0.88878%0.778SS**  trans-111.8116.4154.6-68.5-161.82.400110.9D195D195-Q197 PolarHBondContact O-N 2.93Å
198Q33Very low41.1Very low167 Ų167148.2 Ų148.278%0.7878%0.783SS**  trans-97.1151.9178.1-65.2-179.4-35.500110.3
199Q29.8Very low41Very low174 Ų174149.5 Ų149.581%0.81378%0.78SS**  trans75.2158.4156.9-74.6-168.9-2.400119.5
200P44Very low41.2Very low114 Ų114146.8 Ų146.874%0.7478%0.778SS**  cis-116.3160.80.721.20.4000115.4
201P39.9Very low40.3Very low115 Ų115147 Ų14775%0.74778%0.779SS**  trans-73.9153.5175.531.8-35.6000112.9A203P201-A203 PolarHBondContact O-N 3.28Å
202T43.4Very low40.3Very low124 Ų124149.6 Ų149.676%0.76179%0.791SS**  trans-66.3124.1178.133.70000112.5Y204T202-Y204 PolarHBondContact O-N 3.08Å
203A40.1Very low39.8Very low96 Ų96148 Ų14879%0.79378%0.782SS**  trans-72.3111.9173.900000110.8P201 A205P201-A203 PolarHBondContact O-N 3.28Å; A203-A205 PolarHBondContact O-N 3.11Å; A203-A205 VanDerWaalsContact O-N 3.1Å
204Y39.3Very low39.3Very low229 Ų229147.3 Ų147.390%0.89879%0.791SS**  trans-70.2101165.2-83.2-94.9000109.5T202T202-Y204 PolarHBondContact O-N 3.08Å
205A39.4Very low39.5Very low87 Ų87145.6 Ų145.672%0.71979%0.792SS**  trans-137.581.1171.300000109.8A203A203-A205 PolarHBondContact O-N 3.11Å; A203-A205 VanDerWaalsContact O-N 3.1Å
206N47.7Very low39.5Very low163 Ų163148 Ų14887%0.87280%0.795SS**  trans-146.5108.5149.4-121.1-9.6000110.6
207K39.1Very low39.7Very low162 Ų162143.6 Ų143.670%0.70479%0.788SS**  trans-76.5131.4162.4-66.9175.2155-136.30107.7E209K207-E209 IonicContact NZ-OE1 2.78Å; K207-E209 PolarHBondContact NZ-OE1 3.11Å
208V47.6Very low40.1Very low135 Ų135141.8 Ų141.882%0.81878%0.784SS**  trans-129.7100.9146.21790000106
209E36.8Very low41.1Very low151 Ų151144.4 Ų144.471%0.70679%0.787SS**  trans-70.7129.1167.2-70.5155.2-16700106.8K207K207-E209 IonicContact NZ-OE1 2.78Å; K207-E209 PolarHBondContact NZ-OE1 3.11Å
210G41.4Very low42Very low71 Ų71144.9 Ų144.973%0.73279%0.786SS**  trans-162.372-170.200000108.9
211E33.2Very low42.8Very low188 Ų188147.8 Ų147.888%0.87979%0.79SS**  trans-68.4128.2179.1-57.1177.8128.800109.8
212E38.8Very low43.8Very low172 Ų172150.2 Ų150.280%0.80479%0.792SS**  179.1143119.2-98.3-178.6-167.100113.1
213N40Very low44.3Very low135 Ų135151.8 Ų151.872%0.72279%0.794SS**  trans63.879.5159-59.3-38.5000119S215N213-S215 PolarHBondContact O-N 3.02Å
214T34.4Very low45.6Very low136 Ų136150.6 Ų150.683%0.83477%0.772SS**  trans-59.678.7160.945.60000114.2K216T214-K216 PolarHBondContact O-N 3.29Å; T214-K216 VanDerWaalsContact O-N 3.15Å
215S40.5Very low47.5Very low120 Ų120144.7 Ų144.784%0.83976%0.756SS**  trans-71105.3154.4-79.80000108.7N213 S217N213-S215 PolarHBondContact O-N 3.02Å; S215-S217 PolarHBondContact O-N 3.12Å
216K42.1Very low49.4Very low194 Ų194149.2 Ų149.284%0.84375%0.754SS**  trans-53.8128.6-172.9-67.4168-176.8168.50110.7T214 N218T214-K216 PolarHBondContact O-N 3.29Å; T214-K216 VanDerWaalsContact O-N 3.15Å; K216-N218 PolarHBondContact O-N 3.11Å
217S43.2Very low51Low93 Ų93147.3 Ų147.365%0.6574%0.738SS**  trans-54123.8169.441.70000110.6S215 R219S215-S217 PolarHBondContact O-N 3.12Å; S217-R219 PolarHBondContact O-N 3.37Å
218N48.6Very low52.8Low152 Ų152142.4 Ų142.481%0.81372%0.722SS**  trans-64.284151-95.4-7.3000106.5K216 F220K216-N218 PolarHBondContact O-N 3.11Å; N218-F220 PolarHBondContact O-N 3.24Å
219R54.7Low54.3Low221 Ų221138 Ų13883%0.83470%0.7SS**  trans-81.89.1-178.2-153.8-167176.3179.51112.6S217 E221S217-R219 PolarHBondContact O-N 3.37Å; R219-E221 PolarHBondContact O-N 3.09Å
220F48Very low56.3Low184 Ų184133.9 Ų133.981%0.80769%0.685SS**  trans-6986.4147.2-59.9-74.8000106.1N218 E222N218-F220 PolarHBondContact O-N 3.24Å; F220-E222 PolarHBondContact O-N 2.95Å
221E59.5Low58.2Low176 Ų176134.4 Ų134.482%0.82267%0.671SS**  trans-50.7107.6142.5-84.7176.1138.400104.2R219 I223R219-E221 PolarHBondContact O-N 3.09Å; E221-I223 VanDerWaalsContact C-N 3.34Å; E221-I223 PolarHBondContact O-N 2.96Å
222E61.3Low60.3Low165 Ų165132.2 Ų132.277%0.77165%0.654SS**  trans-57.7104.8175.3-173.8167.1-162.300105.7F220 E224F220-E222 PolarHBondContact O-N 2.95Å; E222-E224 HydrophobicContact CG-CG 4.5Å; E222-E224 PolarHBondContact O-N 3.33Å
223I55.5Low62.3Low158 Ų158128.6 Ų128.681%0.8164%0.637SS**  trans-69.685.2168.5-58.1176.5000103.2E221 D225E221-I223 VanDerWaalsContact C-N 3.34Å; E221-I223 PolarHBondContact O-N 2.96Å; I223-D225 PolarHBondContact O-N 3Å
224E66.9Low64Low70 Ų70125.1 Ų125.133%0.32762%0.618SS.*  trans-50.1119172.2-72.6-174164.800106.3E222 W226 R232E222-E224 HydrophobicContact CG-CG 4.5Å; E222-E224 PolarHBondContact O-N 3.33Å; E224-W226 PolarHBondContact O-N 3.04Å; E224-R232 IonicContact OE1-CZ 3.65Å; E224-R232 IonicContact OE1-NH1 3.06Å; E224-R232 PolarHBondContact OE1-NH1 2.94Å; E224-R232 IonicContact OE1-NH2 3.89Å; E224-R232 PolarHBondContact OE1-NH2 3.03Å; E224-R232 IonicContact OE2-CZ 3.15Å; E224-R232 IonicContact OE2-NH1 2.62Å; E224-R232 PolarHBondContact OE2-NH1 3.33Å; E224-R232 IonicContact OE2-NH2 3.16Å
225D79.8Confident65.7Low106 Ų106120.8 Ų120.857%0.56760%0.596SS**  trans-48.7134.4175.4-94.2-26.9000107.6I223 K227 T228 A229I223-D225 PolarHBondContact O-N 3Å; D225-K227 CarbonylContact O-C 3.59Å; D225-K227 PolarHBondContact O-N 2.74Å; D225-T228 WeakPolarHBondContact O-CA 3.2Å; D225-T228 VanDerWaalsContact O-CB 3.32Å; D225-T228 WeakPolarHBondContact O-CB 3.28Å; D225-T228 PolarHBondContact O-N 2.86Å; D225-A229 PolarHBondContact O-N 3.25Å; D225-A229 VanDerWaalsContact O-N 3.09Å
226W78.4Confident67.2Low181 Ų181119 Ų11969%0.68659%0.589SS**Hα-helixtrans-53.4-26.3-178.660.7-92.1000111.9E224 V230E224-W226 PolarHBondContact O-N 3.04Å; W226-V230 WeakPolarHBondContact O-CB 3.46Å; W226-V230 VanDerWaalsContact O-CG2 3.22Å; W226-V230 WeakPolarHBondContact O-CG2 3.48Å; W226-V230 PolarHBondContact O-N 3.38Å
227K80.4Confident68.4Low124 Ų124118.1 Ų118.154%0.53958%0.58SS.*Hα-helixtrans-61.6-48.6169.6-62.4-179.5179.4177.70112.5D225 V230 L231D225-K227 CarbonylContact O-C 3.59Å; D225-K227 PolarHBondContact O-N 2.74Å; K227-V230 PolarHBondContact O-N 3.33Å; K227-L231 WeakPolarHBondContact O-CB 3.26Å; K227-L231 VanDerWaalsContact O-CG 3.24Å; K227-L231 WeakPolarHBondContact O-CG 3.49Å; K227-L231 PolarHBondContact O-N 3.35Å
228T77.1Confident69.3Low58 Ų58122.2 Ų122.236%0.35658%0.581SS.*Hα-helixtrans-62.8-43.4176.8-51.70000111.2D225 L231 R232D225-T228 WeakPolarHBondContact O-CA 3.2Å; D225-T228 VanDerWaalsContact O-CB 3.32Å; D225-T228 WeakPolarHBondContact O-CB 3.28Å; D225-T228 PolarHBondContact O-N 2.86Å; T228-L231 PolarHBondContact O-N 3.41Å; T228-R232 WeakPolarHBondContact O-CB 3.4Å; T228-R232 PolarHBondContact O-N 3.47Å
229A80.1Confident69.4Low43 Ų43121.6 Ų121.636%0.35557%0.573SS.*Hα-helixtrans-61.6-47.1175.600000112D225 R232 E233D225-A229 PolarHBondContact O-N 3.25Å; D225-A229 VanDerWaalsContact O-N 3.09Å; A229-R232 PolarHBondContact O-N 3.4Å; A229-E233 PolarHBondContact O-N 3.05Å
230V78.9Confident69.6Low65 Ų65118.9 Ų118.939%0.39458%0.575SS.*Hα-helixtrans-63.8-39.3175.7167.70000111.7W226 K227 E233 I234W226-V230 WeakPolarHBondContact O-CB 3.46Å; W226-V230 VanDerWaalsContact O-CG2 3.22Å; W226-V230 WeakPolarHBondContact O-CG2 3.48Å; W226-V230 PolarHBondContact O-N 3.38Å; K227-V230 PolarHBondContact O-N 3.33Å; V230-E233 PolarHBondContact O-N 3.26Å; V230-I234 HydrophobicContact CG1-CD1 3.67Å; V230-I234 HydrophobicContact CG1-CG1 4.35Å; V230-I234 WeakPolarHBondContact O-CB 3.41Å; V230-I234 WeakPolarHBondContact O-CG1 3.41Å; V230-I234 PolarHBondContact O-N 3.35Å
231L79.9Confident69.7Low82 Ų82116.5 Ų116.543%0.42957%0.57SS.*Hα-helixtrans-66.3-41176-75.8170.4000112.3K227 T228 E233 I234 A235K227-L231 WeakPolarHBondContact O-CB 3.26Å; K227-L231 VanDerWaalsContact O-CG 3.24Å; K227-L231 WeakPolarHBondContact O-CG 3.49Å; K227-L231 PolarHBondContact O-N 3.35Å; T228-L231 PolarHBondContact O-N 3.41Å; L231-E233 VanDerWaalsContact C-N 3.35Å; L231-I234 PolarHBondContact O-N 2.87Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å
232R79.2Confident69.1Low142 Ų142114 Ų11454%0.53657%0.567SS.*Hα-helixtrans-62.2-43.3173.5-174.6-174.2-73.5145.6-2.5111E224 T228 A229 A235 A236E224-R232 IonicContact OE1-CZ 3.65Å; E224-R232 IonicContact OE1-NH1 3.06Å; E224-R232 PolarHBondContact OE1-NH1 2.94Å; E224-R232 IonicContact OE1-NH2 3.89Å; E224-R232 PolarHBondContact OE1-NH2 3.03Å; E224-R232 IonicContact OE2-CZ 3.15Å; E224-R232 IonicContact OE2-NH1 2.62Å; E224-R232 PolarHBondContact OE2-NH1 3.33Å; E224-R232 IonicContact OE2-NH2 3.16Å; T228-R232 WeakPolarHBondContact O-CB 3.4Å; T228-R232 PolarHBondContact O-N 3.47Å; A229-R232 PolarHBondContact O-N 3.4Å; R232-A235 PolarHBondContact O-N 3.16Å; R232-A236 WeakPolarHBondContact O-CB 3.35Å; R232-A236 PolarHBondContact O-N 3.47Å
233E80.5Confident68.4Low95 Ų95111.6 Ų111.644%0.44456%0.563SS.*Hα-helixtrans-64.7-41.8176.2179.3166.1-137.200112.1A229 V230 L231 A236 R237A229-E233 PolarHBondContact O-N 3.05Å; V230-E233 PolarHBondContact O-N 3.26Å; L231-E233 VanDerWaalsContact C-N 3.35Å; E233-A236 PolarHBondContact O-N 3.22Å; E233-R237 HydrophobicContact CG-CG 4.27Å; E233-R237 VanDerWaalsContact CG-NE 3.34Å; E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 WeakPolarHBondContact O-CG 3.49Å; E233-R237 PolarHBondContact O-N 3.29Å; E233-R237 IonicContact OE1-CZ 2.7Å; E233-R237 IonicContact OE1-NE 3.16Å; E233-R237 PolarHBondContact OE1-NE 3.13Å; E233-R237 VanDerWaalsContact OE1-NE 3.15Å; E233-R237 IonicContact OE1-NH2 2.75Å; E233-R237 PolarHBondContact OE1-NH2 2.99Å
234I74.5Confident67.9Low62 Ų62106.2 Ų106.232%0.31854%0.54SS..Hα-helixtrans-63.3-42.2174.5-71.7167.1000110.8V230 L231 R237 R238V230-I234 HydrophobicContact CG1-CD1 3.67Å; V230-I234 HydrophobicContact CG1-CG1 4.35Å; V230-I234 WeakPolarHBondContact O-CB 3.41Å; V230-I234 WeakPolarHBondContact O-CG1 3.41Å; V230-I234 PolarHBondContact O-N 3.35Å; L231-I234 PolarHBondContact O-N 2.87Å; I234-R237 PolarHBondContact O-N 2.73Å; I234-R238 HydrophobicContact CG2-CG 4.15Å; I234-R238 VanDerWaalsContact O-CB 3.25Å; I234-R238 WeakPolarHBondContact O-CB 3.49Å; I234-R238 VanDerWaalsContact O-CG 3.29Å; I234-R238 WeakPolarHBondContact O-CG 3.43Å; I234-R238 PolarHBondContact O-N 2.93Å
235A70.3Confident67.4Low45 Ų45108.4 Ų108.437%0.37256%0.56SS.*Hα-helixtrans-62-49.9177.300000111.4L231 R232 R237 R238L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å; R232-A235 PolarHBondContact O-N 3.16Å; A235-R237 VanDerWaalsContact C-N 3.31Å; A235-R237 PolarHBondContact O-N 3.1Å; A235-R238 PolarHBondContact O-N 3.23Å
236A72.1Confident66.1Low84 Ų84113.4 Ų113.469%0.69457%0.572SS**Hα-helixtrans-64.2-31.7177.800000113.4R232 E233R232-A236 WeakPolarHBondContact O-CB 3.35Å; R232-A236 PolarHBondContact O-N 3.47Å; E233-A236 PolarHBondContact O-N 3.22Å
237R68.6Low64.9Low174 Ų174109.2 Ų109.266%0.65756%0.563SS**Hα-helixtrans-82.3-24.3177.2-73.4177-179.1-1551.8113.9E233 I234 A235E233-R237 HydrophobicContact CG-CG 4.27Å; E233-R237 VanDerWaalsContact CG-NE 3.34Å; E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 WeakPolarHBondContact O-CG 3.49Å; E233-R237 PolarHBondContact O-N 3.29Å; E233-R237 IonicContact OE1-CZ 2.7Å; E233-R237 IonicContact OE1-NE 3.16Å; E233-R237 PolarHBondContact OE1-NE 3.13Å; E233-R237 VanDerWaalsContact OE1-NE 3.15Å; E233-R237 IonicContact OE1-NH2 2.75Å; E233-R237 PolarHBondContact OE1-NH2 2.99Å; I234-R237 PolarHBondContact O-N 2.73Å; A235-R237 VanDerWaalsContact C-N 3.31Å; A235-R237 PolarHBondContact O-N 3.1Å
238R62.2Low63.8Low179 Ų179112.1 Ų112.168%0.67558%0.579SS**Hα-helixtrans-88.2-39-171.7-80.5-172174.6175.5-0.1114.5I234 A235I234-R238 HydrophobicContact CG2-CG 4.15Å; I234-R238 VanDerWaalsContact O-CB 3.25Å; I234-R238 WeakPolarHBondContact O-CB 3.49Å; I234-R238 VanDerWaalsContact O-CG 3.29Å; I234-R238 WeakPolarHBondContact O-CG 3.43Å; I234-R238 PolarHBondContact O-N 2.93Å; A235-R238 PolarHBondContact O-N 3.23Å
239H48.9Very low63.1Low139 Ų139112.4 Ų112.464%0.64459%0.594SS**  trans-143.1153.1-171.4-67.4-66.7000116.2L241H239-L241 HydrophobicContact CB-CG 4.32Å; H239-L241 PolarHBondContact O-N 3.25Å
240D58.8Low62.2Low164 Ų164114.6 Ų114.688%0.87760%0.598SS**  trans-62.330.1172-151.112.3000113.7V242D240-V242 VanDerWaalsContact C-N 3.32Å; D240-V242 PolarHBondContact O-N 2.88Å
241L50.5Low61.3Low135 Ų135113.6 Ų113.671%0.70759%0.593SS**  trans-75.292.3172.2-72.4172.8000107.6H239 V243H239-L241 HydrophobicContact CB-CG 4.32Å; H239-L241 PolarHBondContact O-N 3.25Å; L241-V243 VanDerWaalsContact C-N 3.32Å; L241-V243 PolarHBondContact O-N 3.46Å
242V46.3Very low60.3Low123 Ų123115.5 Ų115.575%0.74561%0.608SS**  trans-45.5102.7156.81770000107.2D240 S244D240-V242 VanDerWaalsContact C-N 3.32Å; D240-V242 PolarHBondContact O-N 2.88Å; V242-S244 PolarHBondContact O-N 2.95Å
243V47.4Very low59.5Low115 Ų115117.5 Ų117.570%0.69762%0.615SS**  trans-66.991.8165.7179.90000104.8L241L241-V243 VanDerWaalsContact C-N 3.32Å; L241-V243 PolarHBondContact O-N 3.46Å
244S45.1Very low58.7Low45 Ų45117.1 Ų117.132%0.31562%0.615SS.*  trans-52.7125174.6176.90000106.9V242 Y246 D247V242-S244 PolarHBondContact O-N 2.95Å; S244-Y246 PolarHBondContact O-N 3.31Å; S244-D247 PolarHBondContact O-N 2.91Å
245P57.4Low58.1Low115 Ų115118.5 Ų118.575%0.74762%0.618SS**THydrogen-bonded Turntrans-65.50.6-177.627-34.9000113.4
246Y51Low57.4Low212 Ų212120.7 Ų120.783%0.83163%0.629SS**THydrogen-bonded Turntrans-105.4-10.5174.8-56.7-73.3000114.1S244S244-Y246 PolarHBondContact O-N 3.31Å
247D53.2Low56.7Low93 Ų93123.6 Ų123.650%0.49763%0.631SS.*SBendtrans-98.9106.9167.5-103.9-65.4000108S244 G249 K255S244-D247 PolarHBondContact O-N 2.91Å; D247-G249 VanDerWaalsContact C-N 3.31Å; D247-G249 PolarHBondContact O-N 3.02Å; D247-K255 IonicContact OD1-NZ 2.64Å; D247-K255 PolarHBondContact OD1-NZ 3.47Å
248E58.4Low56.1Low184 Ų184120.1 Ų120.186%0.8663%0.63SS**  trans-66.786.6177.7-68.9-174.2160.200111.4I250E248-I250 PolarHBondContact O-N 2.76Å
249G62.4Low55.6Low65 Ų65116.9 Ų116.967%0.6763%0.626SS**SBendtrans67.7-10.1147.600000119.6D247 P251D247-G249 VanDerWaalsContact C-N 3.31Å; D247-G249 PolarHBondContact O-N 3.02Å; G249-P251 WeakPolarHBondContact O-CD 3.44Å
250I60.3Low55.8Low89 Ų89115.5 Ų115.546%0.45662%0.623SS.*  trans-105.8108.3-175.2-54.5176.6000110.3E248 M254 K255E248-I250 PolarHBondContact O-N 2.76Å; I250-M254 HydrophobicContact CG2-CB 3.67Å; I250-K255 HydrophobicContact CB-CG 4.28Å; I250-K255 HydrophobicContact CG2-CB 4.43Å; I250-K255 HydrophobicContact CG2-CG 3.69Å; I250-K255 WeakPolarHBondContact O-CE 3.35Å
251P60.4Low55.8Low43 Ų43116.6 Ų116.628%0.27962%0.623SS.*  trans-53145.4169.9-25.534.8000111.4G249 W253 M254 K255G249-P251 WeakPolarHBondContact O-CD 3.44Å; P251-W253 HydrophobicContact CB-CG 4.37Å; P251-W253 VanDerWaalsContact CB-NE1 3.3Å; P251-W253 PolarHBondContact O-N 2.78Å; P251-M254 HydrophobicContact CG-SD 4.28Å; P251-M254 WeakPolarHBondContact O-CA 3.22Å; P251-M254 WeakPolarHBondContact O-CB 3.14Å; P251-M254 PolarHBondContact O-N 2.85Å; P251-K255 PolarHBondContact O-N 3.03Å
252V59.1Low55.9Low123 Ų123117.8 Ų117.875%0.74562%0.622SS**G310 helixtrans-54.1-35.5-173.8-179.70000113M254 K255V252-M254 VanDerWaalsContact C-N 3.28Å; V252-M254 PolarHBondContact O-N 3.16Å; V252-K255 PolarHBondContact O-N 3.28Å
253W63.2Low56.3Low183 Ų183121.5 Ų121.569%0.69362%0.622SS**G310 helixtrans-72.2-15.3176.665-93.9000114.8P251P251-W253 HydrophobicContact CB-CG 4.37Å; P251-W253 VanDerWaalsContact CB-NE1 3.3Å; P251-W253 PolarHBondContact O-N 2.78Å
254M62.7Low56.5Low87 Ų87122.9 Ų122.943%0.42963%0.626SS.*G310 helixtrans-97.3-10.8172.7-68.6-170.472.600113.1I250 P251 V252 P256I250-M254 HydrophobicContact CG2-CB 3.67Å; P251-M254 HydrophobicContact CG-SD 4.28Å; P251-M254 WeakPolarHBondContact O-CA 3.22Å; P251-M254 WeakPolarHBondContact O-CB 3.14Å; P251-M254 PolarHBondContact O-N 2.85Å; V252-M254 VanDerWaalsContact C-N 3.28Å; V252-M254 PolarHBondContact O-N 3.16Å; M254-P256 WeakPolarHBondContact O-CD 3.44Å
255K61.3Low57Low91 Ų91126.7 Ų126.740%0.39665%0.647SS.*SBendtrans-64.3118.4173.1-66.7-173.2178.6-1760106.4D247 I250 P251 V252 I257D247-K255 IonicContact OD1-NZ 2.64Å; D247-K255 PolarHBondContact OD1-NZ 3.47Å; I250-K255 HydrophobicContact CB-CG 4.28Å; I250-K255 HydrophobicContact CG2-CB 4.43Å; I250-K255 HydrophobicContact CG2-CG 3.69Å; I250-K255 WeakPolarHBondContact O-CE 3.35Å; P251-K255 PolarHBondContact O-N 3.03Å; V252-K255 PolarHBondContact O-N 3.28Å; K255-I257 PolarHBondContact O-N 3.47Å
256P56.4Low56.8Low92 Ų92130 Ų13060%0.59765%0.653SS**  trans-59.1139.9-17825.4-34000108.9M254 T258M254-P256 WeakPolarHBondContact O-CD 3.44Å; P256-T258 HydrophobicContact CB-CG2 4.25Å; P256-T258 HydrophobicContact CG-CG2 4.49Å; P256-T258 PolarHBondContact O-N 3.16Å; P256-T258 PolarHBondContact O-OG1 2.97Å
257I58Low56.7Low144 Ų144125.1 Ų125.174%0.73865%0.65SS**SBendtrans-75.572.6-175.3-53177.5000108.8K255 L260K255-I257 PolarHBondContact O-N 3.47Å; I257-L260 HydrophobicContact CG2-CB 3.99Å; I257-L260 HydrophobicContact CG2-CD1 3.35Å; I257-L260 HydrophobicContact CG2-CG 3.55Å
258T55.8Low57Low102 Ų102129.6 Ų129.663%0.62667%0.668SS**  trans-108.2-15.1-178.447.80000113.2P256P256-T258 HydrophobicContact CB-CG2 4.25Å; P256-T258 HydrophobicContact CG-CG2 4.49Å; P256-T258 PolarHBondContact O-N 3.16Å; P256-T258 PolarHBondContact O-OG1 2.97Å
259D51.4Low56.8Low110 Ų110126.6 Ų126.659%0.58866%0.664SS**SBendtrans-108.712.5-179.9-75.5-45000113.9E261 K262D259-E261 PolarHBondContact O-N 2.99Å; D259-K262 PolarHBondContact O-N 3.29Å; D259-K262 VanDerWaalsContact O-N 3.08Å
260L51.7Low56.9Low111 Ų111132.2 Ų132.258%0.58168%0.675SS**G310 helixtrans-61.1-31.1173.1-99.6-176.1000112.2I257 K262 R263I257-L260 HydrophobicContact CG2-CB 3.99Å; I257-L260 HydrophobicContact CG2-CD1 3.35Å; I257-L260 HydrophobicContact CG2-CG 3.55Å; L260-K262 PolarHBondContact O-N 2.78Å; L260-R263 PolarHBondContact O-N 2.94Å
261E58.7Low56.8Low187 Ų187136.7 Ų136.787%0.87469%0.694SS**G310 helixtrans-64.6-3.6174.8-64.1-170.9163.900114.3D259D259-E261 PolarHBondContact O-N 2.99Å
262K54.3Low57.1Low159 Ų159142.8 Ų142.869%0.69172%0.719SS**G310 helixtrans-1233.4-178.5-66.1-171.8-179.5173.90115D259 L260D259-K262 PolarHBondContact O-N 3.29Å; D259-K262 VanDerWaalsContact O-N 3.08Å; L260-K262 PolarHBondContact O-N 2.78Å
263R54.3Low57.5Low201 Ų201144.7 Ų144.776%0.75873%0.725SS**SBendtrans-91.8-10.5-177.6-146.4177-174.9113.55.8114.6L260 T265L260-R263 PolarHBondContact O-N 2.94Å; R263-T265 PolarHBondContact O-N 3.01Å; R263-T265 VanDerWaalsContact O-N 3.09Å
264D51.4Low57.5Low145 Ų145144.5 Ų144.578%0.77573%0.729SS**THydrogen-bonded Turntrans-73.25.6-177.2-68.7-13.8000115.1
265T55Low57.5Low124 Ų124149.6 Ų149.676%0.76175%0.752SS**THydrogen-bonded Turntrans-125.85.2-172.453.60000116.9R263R263-T265 PolarHBondContact O-N 3.01Å; R263-T265 VanDerWaalsContact O-N 3.09Å
266E54.5Low57.5Low185 Ų185149.8 Ų149.886%0.86477%0.765SS**  trans-125.345.8173.5-71-173.1170.600112.6E268E266-E268 PolarHBondContact O-N 3.22Å
267S47.7Very low57.5Low110 Ų110153 Ų15377%0.76977%0.771SS**  trans-82.289154.5-62.20000108.8P269S267-P269 WeakPolarHBondContact O-CD 3.27Å
268E59.4Low57.6Low187 Ų187153.1 Ų153.187%0.87477%0.769SS**  trans-66.9123.9159.3-79.1-165.5146.500108.2E266 M270E266-E268 PolarHBondContact O-N 3.22Å; E268-M270 PolarHBondContact O-N 3.09Å; E268-M270 VanDerWaalsContact O-N 3.1Å
269P54.8Low57.8Low121 Ų121155.8 Ų155.879%0.78678%0.779SS**  trans-71.8107.5175.429.2-32000108.6S267 E271S267-P269 WeakPolarHBondContact O-CD 3.27Å; P269-E271 PolarHBondContact O-N 3.15Å
270M64.7Low58.6Low182 Ų182156.3 Ų156.390%0.89779%0.792SS**  trans-59.4126.4166.9-167.3179.9-55.100108.1E268 E272E268-M270 PolarHBondContact O-N 3.09Å; E268-M270 VanDerWaalsContact O-N 3.1Å; M270-E272 PolarHBondContact O-N 2.91Å
271E59Low59.3Low183 Ų183159.1 Ų159.186%0.85580%0.802SS**  trans-58.7126.8-177.8-69.5-176121.400110.2P269 D273P269-E271 PolarHBondContact O-N 3.15Å; E271-D273 PolarHBondContact O-N 2.88Å; E271-D273 VanDerWaalsContact O-N 3.08Å
272E65.9Low59.7Low171 Ų171155.8 Ų155.880%0.79980%0.799SS**  trans-65.1108.2169.9-68.8176.9161.100108.6M270 K274M270-E272 PolarHBondContact O-N 2.91Å; E272-K274 PolarHBondContact O-N 2.93Å
273D67.9Low59.5Low163 Ų163156.2 Ų156.287%0.87280%0.804SS**  trans-57.2104.2171.7-96.4-35.8000109.3E271 E275E271-D273 PolarHBondContact O-N 2.88Å; E271-D273 VanDerWaalsContact O-N 3.08Å; D273-E275 PolarHBondContact O-N 2.92Å
274K62.5Low59.9Low180 Ų180158.4 Ų158.478%0.78383%0.831SS**  trans-77.472.9174.8-64.8-166.5179.3-172.80110E272 S276E272-K274 PolarHBondContact O-N 2.93Å; K274-S276 PolarHBondContact O-N 3.22Å
275E63.3Low60.3Low193 Ų193159.1 Ų159.190%0.90283%0.833SS**  trans-74.178.7167.9-164.6162.3-14400109.9D273D273-E275 PolarHBondContact O-N 2.92Å
276S60.8Low60.6Low96 Ų96160.9 Ų160.967%0.67184%0.837SS**  trans-75.3121.4166.656.10000110.2K274K274-S276 PolarHBondContact O-N 3.22Å
277H57.4Low60.9Low158 Ų158159.6 Ų159.673%0.73184%0.836SS**  trans-154101.9146.8-125-64.4000114.1
278E59.7Low61.7Low147 Ų147162.5 Ų162.569%0.68784%0.84SS**  trans44.3106.5137.9-59.6179.8168.700120.4S280E278-S280 PolarHBondContact O-N 3.18Å
279D59.3Low61.8Low158 Ų158161 Ų16185%0.84584%0.837SS**  24.398115.7-61.5-30.6000117
280S68.1Low62.3Low122 Ų122163.7 Ų163.785%0.85384%0.841SS**  trans-100.374.4152.2-70.80000109.8E278 S282E278-S280 PolarHBondContact O-N 3.18Å; S280-S282 PolarHBondContact O-N 3.34Å
281E67.2Low62.1Low169 Ų169162.4 Ų162.479%0.7984%0.837SS**  trans-68.6106.5167.3-176.8176.9-16300109.4
282S66.2Low62.3Low117 Ų117160.8 Ų160.882%0.81884%0.836SS**  trans-117.493.4169.166.70000110.4S280S280-S282 PolarHBondContact O-N 3.34Å
283Q51.3Low62Low168 Ų168159.9 Ų159.979%0.78584%0.839SS**  trans-94.4114.7158.7-69.3-157.5-42.100109.7
284D61Low61.5Low248 Ų248159.6 Ų159.6100%1.32684%0.836SS**  trans-169.80142.1-101.5-20.3000109.9

Retrieved 284 of 284 residues in 142.9 ms (Link to these results)