A0A077YZ65_TRITR Loading...

TPX2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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
1M70.4Confident85.9Confident225 Ų225116.5 Ų116.5100%1.10865%0.647SS**  01.60-76.6-163.6168.200115.4
2N80Confident86.5Confident134 Ų134115.5 Ų115.572%0.71764%0.638SS**  trans-90.5-15.4-173.3-75.5-9000116.4F5 V6N2-F5 PolarHBondContact O-N 3.08Å; N2-V6 PolarHBondContact O-N 2.99Å
3V83.5Confident86.8Confident124 Ų124109.6 Ų109.675%0.75262%0.62SS**Hα-helixtrans-71.2-37.7-173.7-171.70000111.9F5 V6 A7V3-F5 VanDerWaalsContact C-N 3.33Å; V3-F5 PolarHBondContact O-N 2.54Å; V3-V6 PolarHBondContact O-N 3.11Å; V3-A7 PolarHBondContact O-N 2.91Å
4F84.5Confident87.2Confident176 Ų176107.6 Ų107.677%0.77261%0.61SS**Hα-helixtrans-66.2-33.3177.8-75.2-77000113A7 T8F4-A7 PolarHBondContact O-N 3.38Å; F4-T8 PolarHBondContact O-N 2.93Å; F4-T8 VanDerWaalsContact O-N 3.15Å; F4-T8 PolarHBondContact O-OG1 3.06Å
5F88.2Confident87.3Confident161 Ų161104.1 Ų104.171%0.70660%0.6SS**Hα-helixtrans-71.5-32.4179.9-136.7-87.8000112.5N2 V3 T8 A9N2-F5 PolarHBondContact O-N 3.08Å; V3-F5 VanDerWaalsContact C-N 3.33Å; V3-F5 PolarHBondContact O-N 2.54Å; F5-T8 PolarHBondContact O-OG1 2.96Å; F5-T8 VanDerWaalsContact O-OG1 3.11Å; F5-A9 WeakPolarHBondContact O-CB 3.25Å; F5-A9 PolarHBondContact O-N 2.7Å
6V88.7Confident87.5Confident94 Ų94104.9 Ų104.957%0.5760%0.601SS**Hα-helixtrans-71.8-41.3175.6179.50000110.4N2 V3 T8 A9 V10N2-V6 PolarHBondContact O-N 2.99Å; V3-V6 PolarHBondContact O-N 3.11Å; V6-T8 PolarHBondContact O-N 2.82Å; V6-A9 PolarHBondContact O-N 2.84Å; V6-V10 HydrophobicContact CG1-CG2 4.48Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.5Å; V6-V10 PolarHBondContact O-N 3.19Å; V6-V10 VanDerWaalsContact O-N 3.09Å
7A88.2Confident87.5Confident56 Ų56105.5 Ų105.546%0.46360%0.601SS.*Hα-helixtrans-62.4-42.3178.600000112.3V3 F4 V10 T11V3-A7 PolarHBondContact O-N 2.91Å; F4-A7 PolarHBondContact O-N 3.38Å; A7-V10 PolarHBondContact O-N 3.28Å; A7-T11 WeakPolarHBondContact O-CG2 3.18Å; A7-T11 PolarHBondContact O-N 2.91Å; A7-T11 PolarHBondContact O-OG1 2.68Å
8T88.6Confident87.4Confident72 Ų72106.2 Ų106.244%0.44260%0.602SS.*Hα-helixtrans-70.1-36.117852.50000112.9F4 F5 V6 T11 I12F4-T8 PolarHBondContact O-N 2.93Å; F4-T8 VanDerWaalsContact O-N 3.15Å; F4-T8 PolarHBondContact O-OG1 3.06Å; F5-T8 PolarHBondContact O-OG1 2.96Å; F5-T8 VanDerWaalsContact O-OG1 3.11Å; V6-T8 PolarHBondContact O-N 2.82Å; T8-T11 WeakPolarHBondContact CA-OG1 3.43Å; T8-T11 PolarHBondContact O-OG1 3.14Å; T8-I12 WeakPolarHBondContact O-CD1 3.44Å; T8-I12 VanDerWaalsContact O-CG1 3.25Å; T8-I12 WeakPolarHBondContact O-CG1 3.44Å; T8-I12 PolarHBondContact O-N 3.46Å; T8-I12 VanDerWaalsContact O-N 3.16Å
9A90.4Very high87.1Confident59 Ų59109 Ų10949%0.48861%0.607SS.*Hα-helixtrans-65.3-38.9175.800000112.3F5 V6 G13F5-A9 WeakPolarHBondContact O-CB 3.25Å; F5-A9 PolarHBondContact O-N 2.7Å; V6-A9 PolarHBondContact O-N 2.84Å; A9-G13 PolarHBondContact O-N 2.9Å; A9-G13 VanDerWaalsContact O-N 3.11Å
10V91.2Very high86.9Confident88 Ų88111.6 Ų111.653%0.53361%0.608SS.*Hα-helixtrans-67.8-43178.4173.80000111.3V6 A7 G13 V14V6-V10 HydrophobicContact CG1-CG2 4.48Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.5Å; V6-V10 PolarHBondContact O-N 3.19Å; V6-V10 VanDerWaalsContact O-N 3.09Å; A7-V10 PolarHBondContact O-N 3.28Å; V10-G13 PolarHBondContact O-N 2.78Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 3.45Å; V10-V14 VanDerWaalsContact O-N 3.09Å
11T90.9Very high86.4Confident92 Ų92112.7 Ų112.756%0.56461%0.607SS**Hα-helixtrans-66.1-39.7179.751.30000112.5A7 T8 G13 V14 A15A7-T11 WeakPolarHBondContact O-CG2 3.18Å; A7-T11 PolarHBondContact O-N 2.91Å; A7-T11 PolarHBondContact O-OG1 2.68Å; T8-T11 WeakPolarHBondContact CA-OG1 3.43Å; T8-T11 PolarHBondContact O-OG1 3.14Å; T11-G13 VanDerWaalsContact C-N 3.34Å; T11-G13 PolarHBondContact O-N 2.99Å; T11-V14 PolarHBondContact O-N 3.16Å; T11-A15 PolarHBondContact O-N 3.13Å; T11-A15 VanDerWaalsContact O-N 3.15Å
12I92.9Very high86.6Confident105 Ų105105.6 Ų105.654%0.53858%0.58SS.*Hα-helixtrans-63.6-40.7174.8-65.7166.4000110.9T8 V14 A15 L16T8-I12 WeakPolarHBondContact O-CD1 3.44Å; T8-I12 VanDerWaalsContact O-CG1 3.25Å; T8-I12 WeakPolarHBondContact O-CG1 3.44Å; T8-I12 PolarHBondContact O-N 3.46Å; T8-I12 VanDerWaalsContact O-N 3.16Å; I12-V14 PolarHBondContact O-N 3.15Å; I12-A15 PolarHBondContact O-N 2.89Å; I12-L16 HydrophobicContact CG2-CD1 4.24Å; I12-L16 PolarHBondContact O-N 2.92Å; I12-L16 VanDerWaalsContact O-N 3.16Å
13G91.5Very high86Confident39 Ų39102.8 Ų102.840%0.40258%0.575SS.*Hα-helixtrans-61.7-42.3177.100000113.4A9 V10 T11 L16 L17A9-G13 PolarHBondContact O-N 2.9Å; A9-G13 VanDerWaalsContact O-N 3.11Å; V10-G13 PolarHBondContact O-N 2.78Å; T11-G13 VanDerWaalsContact C-N 3.34Å; T11-G13 PolarHBondContact O-N 2.99Å; G13-L16 PolarHBondContact O-N 3.19Å; G13-L17 PolarHBondContact O-N 3.41Å; G13-L17 VanDerWaalsContact O-N 3.15Å
14V91.8Very high85.3Confident81 Ų81103.5 Ų103.549%0.49157%0.57SS.*Hα-helixtrans-66.8-40.2178.4174.90000111.5V10 T11 I12 L16 L17 L18V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 3.45Å; V10-V14 VanDerWaalsContact O-N 3.09Å; T11-V14 PolarHBondContact O-N 3.16Å; I12-V14 PolarHBondContact O-N 3.15Å; V14-L16 PolarHBondContact O-N 2.82Å; V14-L17 PolarHBondContact O-N 3.33Å; V14-L18 HydrophobicContact CG1-CD1 4.04Å; V14-L18 PolarHBondContact O-N 2.86Å; V14-L18 VanDerWaalsContact O-N 3.12Å
15A89Confident84.4Confident55 Ų55104.2 Ų104.246%0.45557%0.569SS.*Hα-helixtrans-64-38.717800000112.8T11 I12 K19T11-A15 PolarHBondContact O-N 3.13Å; T11-A15 VanDerWaalsContact O-N 3.15Å; I12-A15 PolarHBondContact O-N 2.89Å; A15-K19 PolarHBondContact O-N 3.32Å
16L90.3Very high83Confident117 Ų117102 Ų10261%0.61357%0.573SS**Hα-helixtrans-68.6-37.9176.2-72.1172.3000112.3I12 G13 V14 L18 K19 Y20I12-L16 HydrophobicContact CG2-CD1 4.24Å; I12-L16 PolarHBondContact O-N 2.92Å; I12-L16 VanDerWaalsContact O-N 3.16Å; G13-L16 PolarHBondContact O-N 3.19Å; V14-L16 PolarHBondContact O-N 2.82Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 2.87Å; L16-K19 PolarHBondContact O-N 3.44Å; L16-Y20 PolarHBondContact O-N 3.23Å; L16-Y20 VanDerWaalsContact O-N 3.07Å
17L87.9Confident81.2Confident116 Ų116102.7 Ų102.761%0.60758%0.582SS**Hα-helixtrans-66.4-37178.3-163.175.1000112.2G13 V14 Y20 K21G13-L17 PolarHBondContact O-N 3.41Å; G13-L17 VanDerWaalsContact O-N 3.15Å; V14-L17 PolarHBondContact O-N 3.33Å; L17-Y20 PolarHBondContact O-N 3.33Å; L17-K21 PolarHBondContact O-N 2.9Å; L17-K21 VanDerWaalsContact O-N 3.14Å
18L85.6Confident79.5Confident117 Ų117106.4 Ų106.461%0.61360%0.599SS**Hα-helixtrans-66-43176-81.1158.1000112V14 L16 Y20 K21 S22V14-L18 HydrophobicContact CG1-CD1 4.04Å; V14-L18 PolarHBondContact O-N 2.86Å; V14-L18 VanDerWaalsContact O-N 3.12Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 2.87Å; L18-Y20 VanDerWaalsContact C-N 3.31Å; L18-Y20 PolarHBondContact O-N 3Å; L18-K21 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-N 2.79Å; L18-S22 VanDerWaalsContact O-N 3.17Å
19K82.1Confident77.7Confident160 Ų160106.2 Ų106.270%0.69661%0.612SS**Hα-helixtrans-63.7-35174.4-83.2-170.8176.1-176.70113A15 L16 S22 A23A15-K19 PolarHBondContact O-N 3.32Å; L16-K19 PolarHBondContact O-N 3.44Å; K19-S22 PolarHBondContact O-OG 2.91Å; K19-A23 PolarHBondContact O-N 2.81Å
20Y82.5Confident75.7Confident160 Ų160107.9 Ų107.963%0.62763%0.626SS**Hα-helixtrans-69.5-37.9178.3-165.1-97.2000112.1L16 L17 L18L16-Y20 PolarHBondContact O-N 3.23Å; L16-Y20 VanDerWaalsContact O-N 3.07Å; L17-Y20 PolarHBondContact O-N 3.33Å; L18-Y20 VanDerWaalsContact C-N 3.31Å; L18-Y20 PolarHBondContact O-N 3Å
21K77.1Confident73.7Confident136 Ų136111.8 Ų111.859%0.59164%0.642SS**Hα-helixtrans-68.7-39176.4-84.6-170.1173.4-1750113L17 L18 A23 Q24 Y25L17-K21 PolarHBondContact O-N 2.9Å; L17-K21 VanDerWaalsContact O-N 3.14Å; L18-K21 PolarHBondContact O-N 3.45Å; K21-A23 VanDerWaalsContact C-N 3.25Å; K21-A23 PolarHBondContact O-N 3.21Å; K21-Q24 PolarHBondContact O-N 2.9Å; K21-Y25 WeakPolarHBondContact O-CD2 3.36Å
22S73.4Confident71.6Confident76 Ų76115.4 Ų115.453%0.53165%0.652SS.*Hα-helixtrans-64.6-30.9179.358.20000112.7L18 K19 Q24L18-S22 PolarHBondContact O-N 2.79Å; L18-S22 VanDerWaalsContact O-N 3.17Å; K19-S22 PolarHBondContact O-OG 2.91Å; S22-Q24 VanDerWaalsContact C-N 3.33Å; S22-Q24 PolarHBondContact O-N 2.91Å
23A68.6Low69.6Low74 Ų74115.9 Ų115.961%0.61266%0.664SS**Hα-helixtrans-69-27.2178.900000113.6K19 K21K19-A23 PolarHBondContact O-N 2.81Å; K21-A23 VanDerWaalsContact C-N 3.25Å; K21-A23 PolarHBondContact O-N 3.21Å
24Q67.8Low67.4Low139 Ų139119.8 Ų119.865%0.6568%0.681SS**Hα-helixtrans-79.6-19.7-179.4-71.7-148.3-18.800114.2K21 S22K21-Q24 PolarHBondContact O-N 2.9Å; S22-Q24 VanDerWaalsContact C-N 3.33Å; S22-Q24 PolarHBondContact O-N 2.91Å
25Y66Low65.2Low192 Ų192123.1 Ų123.175%0.75370%0.695SS**THydrogen-bonded Turntrans-92.5-4.3-177.3-73.7-77.4000114.8K21 S27K21-Y25 WeakPolarHBondContact O-CD2 3.36Å; Y25-S27 PolarHBondContact O-N 3.36Å
26S57.9Low63.1Low113 Ų113128.6 Ų128.679%0.7972%0.715SS**THydrogen-bonded Turntrans-9116177.9-70.40000115
27S52.6Low61Low110 Ų110128.8 Ų128.877%0.76972%0.721SS**  trans-114.750175-164.20000112.1Y25Y25-S27 PolarHBondContact O-N 3.36Å
28T52Low58.8Low134 Ų134130.6 Ų130.682%0.82273%0.732SS**  trans-99.773.2160.150.10000107.9
29G49.9Very low56.7Low68 Ų68133.2 Ų133.270%0.70174%0.741SS**  trans-73132.6168.100000109.8
30A48.5Very low54.7Low94 Ų94137.6 Ų137.678%0.77775%0.753SS**  trans-47.9130.6-17400000114.3Q32A30-Q32 PolarHBondContact O-N 2.89Å; A30-Q32 VanDerWaalsContact O-N 3.08Å
31I48.8Very low52.8Low170 Ų170139.9 Ų139.987%0.87276%0.761SS**  trans-71.695.7167.3-60.4167.9000106.6
32Q47.8Very low51.3Low168 Ų168143.2 Ų143.279%0.78578%0.778SS**  trans-81.1112161.7-83.4-175.5-6.200108.1A30 V34A30-Q32 PolarHBondContact O-N 2.89Å; A30-Q32 VanDerWaalsContact O-N 3.08Å; Q32-V34 PolarHBondContact O-N 3.37Å
33S50.5Low50.3Low114 Ų114145 Ų14580%0.79779%0.791SS**  trans-60.7118.2163.248.90000109
34V46.1Very low49.6Very low122 Ų122148.3 Ų148.374%0.73980%0.803SS**  trans-124.4121.5170.4-174.50000107.7Q32Q32-V34 PolarHBondContact O-N 3.37Å
35D45.2Very low48.9Very low150 Ų150146.8 Ų146.880%0.80281%0.808SS**  trans-58.1138.5-175.7-76.3-49.3000113T37D35-T37 PolarHBondContact O-N 3.17Å
36I43.7Very low48.2Very low170 Ų170141.8 Ų141.887%0.87281%0.806SS**  trans-83.891.1178.8-58.8166.5000107.6
37T47.2Very low48.3Very low121 Ų121144.7 Ų144.774%0.74281%0.805SS**  trans-141.4115.7158.745.70000109.7D35D35-T37 PolarHBondContact O-N 3.17Å
38D41.5Very low48.3Very low154 Ų154147.1 Ų147.182%0.82481%0.808SS**  trans34.7102.9151.1-83-33.7000117.8
39Q41.1Very low48.4Very low172 Ų172147.9 Ų147.980%0.80480%0.804SS**  -164.8105.6122.4-107.4168.344.800112.5R41Q39-R41 VanDerWaalsContact C-N 3.27Å; Q39-R41 PolarHBondContact O-N 2.95Å
40R40.3Very low48.8Very low253 Ų253151.5 Ų151.596%0.95581%0.807SS**  trans-5282154.6-176-172.2-173.7-158.42.9110.7
41R43.6Very low49.1Very low208 Ų208152.3 Ų152.379%0.78580%0.804SS**  trans-145.4104.1161.7-74.3-164.1176.8-140.4-0.4111Q39 S43Q39-R41 VanDerWaalsContact C-N 3.27Å; Q39-R41 PolarHBondContact O-N 2.95Å; R41-S43 PolarHBondContact O-N 2.86Å
42Q46Very low49.2Very low205 Ų205155.3 Ų155.396%0.95880%0.804SS**  trans13.181.4144.4-63.4175.3-8.700115.1
43S51.5Low49.2Very low115 Ų115152.5 Ų152.580%0.80480%0.802SS**  trans-102.6117.5163.956.90000108.8R41 S45R41-S43 PolarHBondContact O-N 2.86Å; S43-S45 PolarHBondContact O-N 3.41Å; S43-S45 VanDerWaalsContact O-N 3.15Å
44V53.2Low49.2Very low142 Ų142152.4 Ų152.486%0.86180%0.801SS**  trans-53.5112.8-179.3-167.90000108.2A46V44-A46 PolarHBondContact O-N 3.48Å
45S54.3Low49.3Very low108 Ų108153.7 Ų153.776%0.75580%0.804SS**  trans-53.3102.4175.1155.50000108.9S43 K47S43-S45 PolarHBondContact O-N 3.41Å; S43-S45 VanDerWaalsContact O-N 3.15Å; S45-K47 PolarHBondContact O-N 3.08Å
46A50.8Low49.9Very low86 Ų86150.9 Ų150.971%0.71180%0.796SS**  trans-53.6105.3171.300000107.9V44 L48V44-A46 PolarHBondContact O-N 3.48Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 PolarHBondContact O-N 3.36Å
47K59.8Low50Low175 Ų175151.3 Ų151.376%0.76179%0.794SS**  trans-66.790.5178-163.6168.2-171.7171.60106.5S45 M49S45-K47 PolarHBondContact O-N 3.08Å; K47-M49 VanDerWaalsContact C-N 3.26Å; K47-M49 PolarHBondContact O-N 2.81Å
48L53.7Low50.1Low160 Ų160155.4 Ų155.484%0.83880%0.798SS**  trans-5697.6165.8-80.1163.5000106.7A46 L50A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 PolarHBondContact O-N 3.36Å; L48-L50 PolarHBondContact O-N 2.92Å
49M53Low50.5Low150 Ų150152.8 Ų152.874%0.73978%0.784SS**  trans-69.883.1171-65.4-12883.300106.5K47K47-M49 VanDerWaalsContact C-N 3.26Å; K47-M49 PolarHBondContact O-N 2.81Å
50L59.1Low51.1Low145 Ų145152.5 Ų152.576%0.75978%0.78SS**  trans-57.4126.4162.2-73.4168.2000106.5L48 R52L48-L50 PolarHBondContact O-N 2.92Å; L50-R52 PolarHBondContact O-N 3.44Å
51P54.8Low51.6Low111 Ų111150 Ų15072%0.72177%0.771SS**  trans-56.1115.5174.921.3-29.9000106.9C53P51-C53 VanDerWaalsContact C-N 3.27Å; P51-C53 PolarHBondContact O-N 2.75Å
52R50.2Low52Low233 Ų233146.2 Ų146.288%0.87977%0.765SS**  trans-57.899.6171-74.1-179.1168.4155.8-4.7105.7L50 S54L50-R52 PolarHBondContact O-N 3.44Å; R52-S54 VanDerWaalsContact C-N 3.33Å; R52-S54 PolarHBondContact O-N 2.76Å
53C47.1Very low52.2Low109 Ų109140.9 Ų140.974%0.73675%0.751SS**  trans-50.5111.5158.4-66.80000104.5P51 N55P51-C53 VanDerWaalsContact C-N 3.27Å; P51-C53 PolarHBondContact O-N 2.75Å; C53-N55 PolarHBondContact O-N 2.75Å
54S51.6Low52.2Low111 Ų111144.1 Ų144.178%0.77675%0.753SS**  trans-53.697.9169.348.20000105.7R52 S56R52-S54 VanDerWaalsContact C-N 3.33Å; R52-S54 PolarHBondContact O-N 2.76Å; S54-S56 PolarHBondContact O-N 2.96Å
55N48.6Very low52Low149 Ų149147.8 Ų147.880%0.79775%0.751SS**  trans-60.590160.5-74.9-14.7000103.9C53 E57C53-N55 PolarHBondContact O-N 2.75Å; N55-E57 PolarHBondContact O-N 3.36Å
56S56.4Low51.6Low92 Ų92145.6 Ų145.664%0.64375%0.746SS**  trans-49120.5160.945.80000105S54 Y58S54-S56 PolarHBondContact O-N 2.96Å; S56-Y58 PolarHBondContact O-N 3.07Å
57E46.8Very low51.5Low178 Ų178146.9 Ų146.983%0.83275%0.75SS**  trans-62.165.7-176.1-138.4169.3-174.100108.8N55 D59N55-E57 PolarHBondContact O-N 3.36Å; E57-D59 PolarHBondContact O-N 3.47Å
58Y49.2Very low51Low207 Ų207144.6 Ų144.681%0.81275%0.75SS**  trans-77.772.6156.8-92.3-85.5000105.9S56 F60S56-Y58 PolarHBondContact O-N 3.07Å; Y58-F60 PolarHBondContact O-N 3.24Å
59D49.7Very low50.8Low100 Ų100140.6 Ų140.654%0.53574%0.74SS.*  trans-64.575164.6-148.717.4000105.5E57 R61E57-D59 PolarHBondContact O-N 3.47Å; D59-R61 PolarHBondContact O-N 2.9Å; D59-R61 IonicContact OD1-NE 3.88Å; D59-R61 IonicContact OD2-CZ 3.67Å; D59-R61 IonicContact OD2-NE 2.99Å; D59-R61 PolarHBondContact OD2-NE 3.45Å; D59-R61 IonicContact OD2-NH2 3.95Å
60F52.6Low50.4Low165 Ų165139.2 Ų139.272%0.72474%0.741SS**  trans-72.364.1168.9-147-97.1000106Y58 L62Y58-F60 PolarHBondContact O-N 3.24Å; F60-L62 HydrophobicContact CD1-CD1 4.25Å; F60-L62 HydrophobicContact CD1-CD2 4.19Å; F60-L62 HydrophobicContact CD1-CG 3.75Å; F60-L62 HydrophobicContact CE1-CD1 4.49Å; F60-L62 HydrophobicContact CE1-CD2 3.81Å; F60-L62 HydrophobicContact CE1-CG 3.91Å; F60-L62 PolarHBondContact O-N 3.01Å
61R52.8Low50.1Low202 Ų202138.9 Ų138.976%0.76275%0.745SS**  trans-6383.6159.6-71.6-175.7175.4-164-8.5104.8D59 S63D59-R61 PolarHBondContact O-N 2.9Å; D59-R61 IonicContact OD1-NE 3.88Å; D59-R61 IonicContact OD2-CZ 3.67Å; D59-R61 IonicContact OD2-NE 2.99Å; D59-R61 PolarHBondContact OD2-NE 3.45Å; D59-R61 IonicContact OD2-NH2 3.95Å; R61-S63 PolarHBondContact O-N 3.47Å
62L51.2Low49.8Very low128 Ų128143 Ų14367%0.6775%0.751SS**  trans-4799.9152.7-81.4160.7000104.8F60 E64F60-L62 HydrophobicContact CD1-CD1 4.25Å; F60-L62 HydrophobicContact CD1-CD2 4.19Å; F60-L62 HydrophobicContact CD1-CG 3.75Å; F60-L62 HydrophobicContact CE1-CD1 4.49Å; F60-L62 HydrophobicContact CE1-CD2 3.81Å; F60-L62 HydrophobicContact CE1-CG 3.91Å; F60-L62 PolarHBondContact O-N 3.01Å; L62-E64 PolarHBondContact O-N 3.34Å
63S50Low49.3Very low93 Ų93135.1 Ų135.165%0.6574%0.743SS**  trans-62.378166.1157.60000106R61 R65R61-S63 PolarHBondContact O-N 3.47Å; S63-R65 PolarHBondContact O-N 2.88Å
64E51.3Low49.3Very low182 Ų182136.7 Ų136.785%0.8575%0.749SS**  trans-69.444.3150.8-67.1-170.2170.700108.9L62 G66L62-E64 PolarHBondContact O-N 3.34Å; E64-G66 PolarHBondContact O-N 3.44Å
65R49.7Very low48.7Very low220 Ų220138.2 Ų138.283%0.8375%0.754SS**  trans-71.783.1151.3-80.2-173.4177.8179.11105.3S63 S67S63-R65 PolarHBondContact O-N 2.88Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.2Å
66G45.4Very low48.7Very low62 Ų62136.2 Ų136.264%0.63975%0.751SS**  trans-43.3105.1154.600000107.2E64 T68E64-G66 PolarHBondContact O-N 3.44Å; G66-T68 PolarHBondContact O-N 2.97Å
67S48.8Very low48.1Very low113 Ų113141.4 Ų141.479%0.7976%0.762SS**  trans-70.285.1175.3-163.20000106.3R65 A69R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.2Å; S67-A69 PolarHBondContact O-N 3.31Å
68T49.7Very low47.8Very low126 Ų126143.7 Ų143.777%0.77376%0.763SS**  trans-75.473.2164.546.50000107.1G66 T70G66-T68 PolarHBondContact O-N 2.97Å; T68-T70 VanDerWaalsContact C-N 3.31Å; T68-T70 PolarHBondContact O-N 3.43Å
69A48.2Very low47.6Very low76 Ų76139.6 Ų139.663%0.62876%0.76SS**  trans-62.698168.900000107.7S67 T71S67-A69 PolarHBondContact O-N 3.31Å; A69-T71 PolarHBondContact O-N 3.49Å
70T44.2Very low47.2Very low122 Ų122144 Ų14475%0.74878%0.777SS**  trans-68.990.7172.242.70000108.7T68 K72T68-T70 VanDerWaalsContact C-N 3.31Å; T68-T70 PolarHBondContact O-N 3.43Å; T70-K72 PolarHBondContact O-N 3.02Å; T70-K72 VanDerWaalsContact O-N 3.14Å
71T54.3Low46.8Very low138 Ų138139.4 Ų139.485%0.84778%0.776SS**  trans-69.2105.1167.640.70000109.1A69 G73A69-T71 PolarHBondContact O-N 3.49Å; T71-G73 PolarHBondContact O-N 3.27Å
72K47.4Very low46.7Very low197 Ų197136.9 Ų136.986%0.85778%0.777SS**  trans-72.7119.5171.5-71.1-179.1177178.90110.1T70T70-K72 PolarHBondContact O-N 3.02Å; T70-K72 VanDerWaalsContact O-N 3.14Å
73G41.2Very low46.8Very low68 Ų68136.2 Ų136.270%0.70178%0.783SS**  trans70.485.8134.300000117.5T71T71-G73 PolarHBondContact O-N 3.27Å
74V46.6Very low47.1Very low141 Ų141140.3 Ų140.386%0.85579%0.792SS**  trans-126.6107.3140.2177.70000106.4S76V74-S76 PolarHBondContact O-N 3.23Å; V74-S76 VanDerWaalsContact O-N 3.08Å
75T38.6Very low47.3Very low144 Ų144139.1 Ų139.188%0.88379%0.792SS**  trans-69.396.6174.343.30000108.8
76S48Very low47.3Very low107 Ų107136.7 Ų136.775%0.74879%0.794SS**  trans-115.8105.8162.3-167.30000108.3V74 R78V74-S76 PolarHBondContact O-N 3.23Å; V74-S76 VanDerWaalsContact O-N 3.08Å; S76-R78 PolarHBondContact O-N 3.02Å
77K44.7Very low47.8Very low200 Ų200138.2 Ų138.287%0.8780%0.795SS**  trans-66.8117.4167-69.4177175.9179.80107.2
78R39.4Very low47.9Very low227 Ų227138.9 Ų138.986%0.85780%0.795SS**  trans179.9129133.7-106.8176173.6164.8-2.2113.2S76S76-R78 PolarHBondContact O-N 3.02Å
79T45Very low47.9Very low121 Ų121141.4 Ų141.474%0.74280%0.795SS**  trans61.6108.114553.60000119.1G81T79-G81 PolarHBondContact O-N 3.36Å
80H42.7Very low48.6Very low193 Ų193141.3 Ų141.389%0.89479%0.79SS**  trans-1.8105.8135.6-102.5-69000113.7
81G43.6Very low49.2Very low67 Ų67140.5 Ų140.569%0.69179%0.789SS**  trans-136.6115.2161.100000105.9T79 S83T79-G81 PolarHBondContact O-N 3.36Å; G81-S83 PolarHBondContact O-N 2.76Å; G81-S83 VanDerWaalsContact O-N 3.15Å
82D51.2Low49.3Very low150 Ų150140 Ų14080%0.80278%0.781SS**  trans-52.8113.4-176.1-60.6-53.4000110.4E84D82-E84 PolarHBondContact O-N 2.76Å; D82-E84 VanDerWaalsContact O-N 3.16Å
83S53.1Low49.6Very low114 Ų114136.7 Ų136.780%0.79777%0.769SS**  trans-77.7100.1174.8560000108.1G81 D85G81-S83 PolarHBondContact O-N 2.76Å; G81-S83 VanDerWaalsContact O-N 3.15Å; S83-D85 PolarHBondContact O-N 2.99Å
84E55.3Low50.3Low178 Ų178138.8 Ų138.883%0.83277%0.768SS**  trans-55.1131.2165-66.2-169.315500109.7D82 L86D82-E84 PolarHBondContact O-N 2.76Å; D82-E84 VanDerWaalsContact O-N 3.16Å; E84-L86 PolarHBondContact O-N 2.86Å
85D56.8Low50.6Low157 Ų157136.8 Ų136.884%0.8476%0.756SS**  trans-51.6101.3175.4-77.3-47.6000110.4S83 S87S83-D85 PolarHBondContact O-N 2.99Å; D85-S87 PolarHBondContact O-N 3.48Å
86L49.5Very low51.3Low169 Ų169132.9 Ų132.989%0.88574%0.738SS**  trans-70.672.5157.4-71.6171.3000107.5E84 T88E84-L86 PolarHBondContact O-N 2.86Å; L86-T88 PolarHBondContact O-N 2.94Å
87S55.6Low51.5Low94 Ų94130.7 Ų130.766%0.65773%0.727SS**  trans-53.9103.7164.3-179.40000106.9D85 K89D85-S87 PolarHBondContact O-N 3.48Å; S87-K89 VanDerWaalsContact C-N 3.26Å; S87-K89 PolarHBondContact O-N 2.76Å
88T50.9Low52Low128 Ų128128.9 Ų128.979%0.78572%0.723SS**  trans-57.394170.547.40000107.2L86 S90L86-T88 PolarHBondContact O-N 2.94Å; T88-S90 PolarHBondContact O-N 2.69Å
89K49.9Very low52.7Low179 Ų179127.8 Ų127.878%0.77872%0.72SS**  trans-58.296166.2-68.5-177.2177.4-178.10106.7S87 S91S87-K89 VanDerWaalsContact C-N 3.26Å; S87-K89 PolarHBondContact O-N 2.76Å; K89-S91 PolarHBondContact O-N 2.76Å
90S62.1Low53.2Low74 Ų74126.5 Ų126.552%0.51772%0.717SS.*  trans-61.1131.8175.456.90000107.8T88 D92 E93T88-S90 PolarHBondContact O-N 2.69Å; S90-D92 PolarHBondContact O-N 3.3Å; S90-E93 PolarHBondContact O-N 2.9Å
91S58.2Low53.6Low104 Ų104126 Ų12673%0.72772%0.715SS**THydrogen-bonded Turntrans-53.4-3.5-176.1-43.40000115.9K89K89-S91 PolarHBondContact O-N 2.76Å
92D55.8Low54.2Low127 Ų127134.3 Ų134.368%0.67973%0.725SS**THydrogen-bonded Turntrans-81.1-16.4-178.1-64.7-24.1000113.8S90 V94 T95S90-D92 PolarHBondContact O-N 3.3Å; D92-V94 PolarHBondContact O-N 3.41Å; D92-T95 PolarHBondContact O-N 3.35Å
93E53.4Low54.2Low129 Ų129136.3 Ų136.360%0.60373%0.73SS**Hα-helixtrans-68.1-22.9174.4-78.1-173163.600113.2S90 T95 A96 A97S90-E93 PolarHBondContact O-N 2.9Å; E93-T95 PolarHBondContact O-N 3.48Å; E93-A96 PolarHBondContact O-N 3.25Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 2.93Å
94V55.2Low54.1Low112 Ų112135 Ų13568%0.67973%0.726SS**Hα-helixtrans-64.5-28.5179.6-175.30000111.4D92D92-V94 PolarHBondContact O-N 3.41Å
95T54.4Low53.9Low98 Ų98136.3 Ų136.360%0.60173%0.729SS**Hα-helixtrans-84.6-28.4-179.6-34.40000112.4D92 E93D92-T95 PolarHBondContact O-N 3.35Å; E93-T95 PolarHBondContact O-N 3.48Å
96A52.3Low53.7Low63 Ų63138.3 Ų138.352%0.52173%0.733SS.*Hα-helixtrans-79.3-35.5176.500000112.5E93 M98 Y99 S100E93-A96 PolarHBondContact O-N 3.25Å; A96-M98 VanDerWaalsContact C-N 3.31Å; A96-M98 PolarHBondContact O-N 3.3Å; A96-Y99 PolarHBondContact O-N 3.47Å; A96-S100 PolarHBondContact O-OG 3.26Å
97A52.6Low53.6Low61 Ų61135.7 Ų135.750%0.50473%0.729SS.*Hα-helixtrans-64.6-35.1175.900000112.1E93 Y99 S100E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 2.93Å; A97-Y99 PolarHBondContact O-N 2.97Å; A97-Y99 VanDerWaalsContact O-N 3.07Å; A97-S100 PolarHBondContact O-N 3.03Å
98M56Low53Low162 Ų162134.9 Ų134.980%0.79874%0.736SS**Hα-helixtrans-66.6-14-177.4-134.2-159.1147.100114.5A96A96-M98 VanDerWaalsContact C-N 3.31Å; A96-M98 PolarHBondContact O-N 3.3Å
99Y53.5Low53Low203 Ų203137.4 Ų137.480%0.79674%0.738SS**Hα-helixtrans-109.5-4.8178-76.4-80.6000114.6A96 A97A96-Y99 PolarHBondContact O-N 3.47Å; A97-Y99 PolarHBondContact O-N 2.97Å; A97-Y99 VanDerWaalsContact O-N 3.07Å
100S55.1Low52.7Low95 Ų95138.7 Ų138.766%0.66474%0.744SS**Hα-helixtrans-96.5-9.1-176.7-59.40000114.7A96 A97 R102A96-S100 PolarHBondContact O-OG 3.26Å; A97-S100 PolarHBondContact O-N 3.03Å; S100-R102 PolarHBondContact O-N 3.44Å
101E51.1Low51.7Low182 Ų182141.1 Ų141.185%0.8576%0.756SS**THydrogen-bonded Turntrans-856.3-176.7-81.3-170.1160.500115.7
102R55.4Low51.1Low241 Ų241141.5 Ų141.591%0.90976%0.756SS**THydrogen-bonded Turntrans-100.71.6-177-125.5-179.1-162.2173.84.8117.2S100S100-R102 PolarHBondContact O-N 3.44Å
103E52.2Low50.6Low193 Ų193143.6 Ų143.690%0.90276%0.759SS**SBendtrans-115.78.2-179.2-67.6-170.8178.100115.2
104A51.8Low50.2Low87 Ų87145.4 Ų145.472%0.71977%0.773SS**SBendtrans-105.321.6-179.300000115.3
105K50.5Low49.8Very low205 Ų205147.9 Ų147.989%0.89178%0.777SS**  trans-133.358.9177.5-66.9-168.6179.9-175.50112.3
106E53.1Low49.3Very low199 Ų199149.7 Ų149.793%0.9379%0.788SS**  trans-149.549.5162.6-143.4170.8-15700110.7
107S46.8Very low49.1Very low113 Ų113151.7 Ų151.779%0.7980%0.798SS**SBendtrans-142.688.6164.670.70000110.3
108G42.7Very low48.6Very low78 Ų78155.4 Ų155.480%0.80482%0.815SS**  trans62.4105144.700000118.6
109E51.1Low48.2Very low180 Ų180155.7 Ų155.784%0.84181%0.814SS**  trans-148.9109.7130.7-154.9160.3-179.300109.5
110K43.7Very low48Very low207 Ų207154.1 Ų154.190%0.982%0.82SS**  trans-76.7116.4169.3-72.4174.3174.6176.70106.8
111T40.5Very low47.8Very low125 Ų125155.4 Ų155.477%0.76782%0.823SS**  trans-109.8129.8158.442.90000109.4
112P46.4Very low48.2Very low111 Ų111152 Ų15272%0.72182%0.819SS**  trans-89.4152.7-169.136-33.3000112.4
113K44Very low48.3Very low172 Ų172144.6 Ų144.675%0.74881%0.805SS**  trans45.4111144-61.9-177.5176.3-166.50117.6
114D46.7Very low48.2Very low167 Ų167143 Ų14389%0.89380%0.803SS**  trans-131123.6132.8-94.3-35.4000109
115E46.5Very low48Very low163 Ų163146.6 Ų146.676%0.76280%0.804SS**  trans-79.9130.4176.9-65.1168.9178.600107.7
116T44Very low48Very low136 Ų136141.7 Ų141.783%0.83480%0.802SS**  trans-145.695.3158.50.30000108.3
117S47.2Very low47.6Very low106 Ų106142.4 Ų142.474%0.74180%0.798SS**  trans-57127.6161.448.10000111
118T42.3Very low47.5Very low139 Ų139140.4 Ų140.485%0.85380%0.795SS**  trans-140.4107.7144.840.70000107.7
119E47Very low47.5Very low167 Ų167142.3 Ų142.378%0.7879%0.791SS**  trans-54.5138.6164.9-56.4173.315700109.4
120D49.8Very low47.5Very low170 Ų170142.8 Ų142.891%0.90979%0.793SS**  trans-145.1103.1147.3-92.1-35000108.6
121V50.6Low47.9Very low122 Ų122137.8 Ų137.874%0.73978%0.784SS**  trans-68.3118.5173.8173.60000108
122S60.8Low48.4Very low110 Ų110141.5 Ų141.577%0.76979%0.79SS**  trans-13077161179.10000109.3
123S56.9Low48.9Very low87 Ų87140.9 Ų140.961%0.60879%0.788SS**  trans-62123.4157.3400000109.9
124N50Low49.5Very low160 Ų160141.5 Ų141.586%0.85679%0.793SS**  trans-142.998.9148.1-99.1-23.6000108.7
125E48.1Very low50.1Low161 Ų161141 Ų14175%0.75279%0.79SS**  trans-59.3139.3159.8-60.5170.3152.400109.5
126A50Low50.6Low102 Ų102139.6 Ų139.684%0.84379%0.789SS**  trans-158.4105.614800000109.5
127Y45.4Very low51.3Low215 Ų215136 Ų13684%0.84377%0.772SS**  trans-51.7147.1170.8-73.6-104.6000113
128G43.4Very low52Low71 Ų71139.1 Ų139.173%0.73278%0.775SS**  trans177.559.817300000114.1
129T43.7Very low52.8Low118 Ų118138.4 Ų138.472%0.72477%0.77SS**  trans-31.2136.4152.332.50000112.5
130H50.2Low53.5Low190 Ų190136.9 Ų136.988%0.8877%0.767SS**  -164.4131.3125.1-78.4-46.4000111
131S53Low54.2Low102 Ų102134 Ų13471%0.71375%0.751SS**  trans-69.1166.8-173.7-39.70000115.3
132K49.5Very low55.1Low203 Ų203133.9 Ų133.988%0.88375%0.747SS**  trans79.4124.4158.9-58.7167177.2179.40113.3
133S56.8Low55.7Low97 Ų97131.8 Ų131.868%0.67874%0.736SS**  cis-152.8138.53844.50000110.9D135S133-D135 PolarHBondContact O-N 3.45Å
134E57.9Low56.7Low185 Ų185131.5 Ų131.586%0.86473%0.734SS**THydrogen-bonded Turntrans-82.8-3.1-168.7-75.1179.6148.400115.9
135D58.8Low58Low156 Ų156129.3 Ų129.383%0.83472%0.72SS**THydrogen-bonded Turntrans-99-6.3-166.4-68.2-33.2000116.6S133S133-D135 PolarHBondContact O-N 3.45Å
136D58Low59.4Low135 Ų135126.6 Ų126.672%0.72271%0.71SS**SBendtrans-105.31.5176.6-71.5-37.4000113.9Q138D136-Q138 VanDerWaalsContact C-N 3.34Å; D136-Q138 PolarHBondContact O-N 3.44Å
137A58.7Low61Low60 Ų60124.1 Ų124.150%0.49669%0.69SS.*THydrogen-bonded Turntrans-77.1-12.1-171.400000114.9
138Q60.5Low63Low172 Ų172116.9 Ų116.980%0.80467%0.67SS**THydrogen-bonded Turntrans-77.4-22.4-176.6-84.2-175.6-13.300114.3D136D136-Q138 VanDerWaalsContact C-N 3.34Å; D136-Q138 PolarHBondContact O-N 3.44Å
139V59.9Low65.1Low123 Ų123119 Ų11975%0.74566%0.662SS**SBendtrans-83.7-19.8-175.7-173.90000112.9
140L60.4Low67.3Low136 Ų136120.9 Ų120.971%0.71266%0.659SS**SBendtrans-81.8-17.2-177.1-77.5168000114.7D142L140-D142 PolarHBondContact O-N 3.42Å
141N65.4Low69.2Low109 Ų109119.3 Ų119.358%0.58365%0.65SS**Hα-helixtrans-71.6-30.7-177.1-78-30.3000113.2A143 S144 M145N141-A143 PolarHBondContact O-N 2.9Å; N141-S144 PolarHBondContact O-N 3.33Å; N141-M145 PolarHBondContact O-N 3.38Å
142D68.9Low71Confident119 Ų119118.5 Ų118.564%0.63664%0.638SS**Hα-helixtrans-69.4-33.8-176.9-69.8-12.9000112.6L140 S144 L146L140-D142 PolarHBondContact O-N 3.42Å; D142-S144 VanDerWaalsContact C-N 3.33Å; D142-S144 PolarHBondContact O-N 3.18Å; D142-L146 PolarHBondContact O-N 3.5Å
143A73.5Confident73.1Confident67 Ų67111.7 Ų111.755%0.55462%0.619SS**Hα-helixtrans-68.1-32.5177.800000112.7N141 A147N141-A143 PolarHBondContact O-N 2.9Å; A143-A147 PolarHBondContact O-N 2.98Å
144S78Confident74.9Confident81 Ų81111.4 Ų111.457%0.56661%0.607SS**Hα-helixtrans-70-41.4179.6-174.80000112.2N141 D142 L146 A147 S148N141-S144 PolarHBondContact O-N 3.33Å; D142-S144 VanDerWaalsContact C-N 3.33Å; D142-S144 PolarHBondContact O-N 3.18Å; S144-L146 PolarHBondContact O-N 3.04Å; S144-A147 PolarHBondContact O-N 3.38Å; S144-S148 PolarHBondContact O-N 2.94Å
145M76.9Confident76.6Confident113 Ų113106.4 Ų106.456%0.55759%0.589SS**Hα-helixtrans-57.7-47.8176.5-83.1-11956.600111.6N141 A147 S148 E149N141-M145 PolarHBondContact O-N 3.38Å; M145-A147 VanDerWaalsContact C-N 3.29Å; M145-A147 PolarHBondContact O-N 3.09Å; M145-S148 PolarHBondContact O-N 2.92Å; M145-S148 PolarHBondContact O-OG 3.03Å; M145-E149 PolarHBondContact O-N 3.27Å
146L79Confident78.4Confident105 Ų105105.1 Ų105.155%0.5558%0.576SS.*Hα-helixtrans-63.3-31.5179.2-67.9174.5000113.3D142 S144 K150D142-L146 PolarHBondContact O-N 3.5Å; S144-L146 PolarHBondContact O-N 3.04Å; L146-K150 WeakPolarHBondContact O-CG 3.5Å; L146-K150 PolarHBondContact O-N 3.41Å
147A84Confident80.2Confident49 Ų49105.9 Ų105.941%0.40557%0.569SS.*Hα-helixtrans-71.2-37.6176.800000112.2A143 S144 M145 K151A143-A147 PolarHBondContact O-N 2.98Å; S144-A147 PolarHBondContact O-N 3.38Å; M145-A147 VanDerWaalsContact C-N 3.29Å; M145-A147 PolarHBondContact O-N 3.09Å; A147-K151 WeakPolarHBondContact O-CG 3.23Å; A147-K151 PolarHBondContact O-N 3.19Å
148S86.2Confident81.9Confident63 Ų63107.7 Ų107.744%0.44157%0.569SS.*Hα-helixtrans-68.7-38.4178.675.60000112.6S144 M145 K151 N152S144-S148 PolarHBondContact O-N 2.94Å; M145-S148 PolarHBondContact O-N 2.92Å; M145-S148 PolarHBondContact O-OG 3.03Å; S148-K151 PolarHBondContact O-N 3.01Å; S148-N152 PolarHBondContact O-N 3.34Å
149E87.3Confident83.6Confident117 Ų117102.6 Ų102.655%0.54755%0.547SS..Hα-helixtrans-64.7-42.3177-71.8-172.4161.500112.1M145 K151 N152 A153M145-E149 PolarHBondContact O-N 3.27Å; E149-K151 VanDerWaalsContact C-N 3.35Å; E149-K151 PolarHBondContact O-N 3.44Å; E149-N152 PolarHBondContact O-N 3.07Å; E149-A153 WeakPolarHBondContact O-CB 3.34Å; E149-A153 PolarHBondContact O-N 3.02Å
150K89.4Confident85.4Confident156 Ų156102.6 Ų102.668%0.67854%0.537SS*.Hα-helixtrans-60.7-42.4175.7-73.6178.2-178.8178.80112.1L146 A153 E154L146-K150 WeakPolarHBondContact O-CG 3.5Å; L146-K150 PolarHBondContact O-N 3.41Å; K150-A153 PolarHBondContact O-N 3.28Å; K150-E154 PolarHBondContact O-N 3.34Å
151K91.2Very high87.2Confident157 Ų157100.3 Ų100.368%0.68353%0.525SS*.Hα-helixtrans-64.2-40.3176-71.1179.4179.7-179.60111.9A147 S148 E149 E154 T155A147-K151 WeakPolarHBondContact O-CG 3.23Å; A147-K151 PolarHBondContact O-N 3.19Å; S148-K151 PolarHBondContact O-N 3.01Å; E149-K151 VanDerWaalsContact C-N 3.35Å; E149-K151 PolarHBondContact O-N 3.44Å; K151-E154 PolarHBondContact O-N 3.39Å; K151-T155 PolarHBondContact O-N 3.02Å; K151-T155 PolarHBondContact O-OG1 3.36Å
152N91.7Very high88.7Confident85 Ų85102.9 Ų102.946%0.45553%0.527SS..Hα-helixtrans-66.5-42.8176.9-167.5-9000111.6S148 E149 E154 T155 K156S148-N152 PolarHBondContact O-N 3.34Å; E149-N152 PolarHBondContact O-N 3.07Å; N152-E154 PolarHBondContact O-N 3.06Å; N152-T155 PolarHBondContact O-N 2.87Å; N152-K156 WeakPolarHBondContact O-CG 3.25Å; N152-K156 PolarHBondContact O-N 3.42Å; N152-K156 WeakPolarHBondContact OD1-CE 3.47Å
153A92.5Very high90.1Very high60 Ų60104 Ų10450%0.49652%0.522SS..Hα-helixtrans-60.7-43.2175.900000112.3E149 K150 K156 R157E149-A153 WeakPolarHBondContact O-CB 3.34Å; E149-A153 PolarHBondContact O-N 3.02Å; K150-A153 PolarHBondContact O-N 3.28Å; A153-K156 PolarHBondContact O-N 2.98Å; A153-R157 WeakPolarHBondContact O-CB 3.45Å; A153-R157 PolarHBondContact O-N 3.23Å
154E94.4Very high91.2Very high91 Ų91103.8 Ų103.843%0.42551%0.514SS..Hα-helixtrans-67.8-39.2178.3-169.259.3-160.300112K150 K151 N152 K156 R157 M158K150-E154 PolarHBondContact O-N 3.34Å; K151-E154 PolarHBondContact O-N 3.39Å; N152-E154 PolarHBondContact O-N 3.06Å; E154-K156 PolarHBondContact O-N 2.77Å; E154-R157 WeakPolarHBondContact O-CB 3.21Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-R157 IonicContact OE2-NH1 3.6Å; E154-M158 WeakPolarHBondContact O-CG 3.4Å; E154-M158 PolarHBondContact O-N 3.47Å
155T94.6Very high92.2Very high80 Ų80104.3 Ų104.349%0.49151%0.507SS..Hα-helixtrans-60.9-46.8175.1-52.80000111K151 N152 R157 M158 D159K151-T155 PolarHBondContact O-N 3.02Å; K151-T155 PolarHBondContact O-OG1 3.36Å; N152-T155 PolarHBondContact O-N 2.87Å; T155-R157 VanDerWaalsContact C-N 3.3Å; T155-R157 PolarHBondContact O-N 3.48Å; T155-M158 PolarHBondContact O-N 3.36Å; T155-D159 PolarHBondContact O-N 3.11Å
156K94.8Very high93.2Very high129 Ų129102.6 Ų102.656%0.56150%0.499SS*.Hα-helixtrans-59.9-38.9175.8-73.3172.6176.9172.20112.5N152 A153 E154 F160N152-K156 WeakPolarHBondContact O-CG 3.25Å; N152-K156 PolarHBondContact O-N 3.42Å; N152-K156 WeakPolarHBondContact OD1-CE 3.47Å; A153-K156 PolarHBondContact O-N 2.98Å; E154-K156 PolarHBondContact O-N 2.77Å; K156-F160 WeakPolarHBondContact O-CB 3.35Å; K156-F160 PolarHBondContact O-N 2.84Å
157R95.9Very high94.1Very high152 Ų152105.1 Ų105.157%0.57450%0.502SS*.Hα-helixtrans-64.1-45.6176-176.6-174.1179.3-171.70.4111.4A153 E154 T155 F160 L161A153-R157 WeakPolarHBondContact O-CB 3.45Å; A153-R157 PolarHBondContact O-N 3.23Å; E154-R157 WeakPolarHBondContact O-CB 3.21Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-R157 IonicContact OE2-NH1 3.6Å; T155-R157 VanDerWaalsContact C-N 3.3Å; T155-R157 PolarHBondContact O-N 3.48Å; R157-F160 WeakPolarHBondContact O-CB 3.37Å; R157-F160 PolarHBondContact O-N 3.42Å; R157-L161 WeakPolarHBondContact O-CG 3.46Å; R157-L161 PolarHBondContact O-N 3.19Å
158M95.6Very high94.8Very high98 Ų98106 Ų10648%0.48350%0.503SS..Hα-helixtrans-64.7-40.1178.1-70.9-58.2-69.900112.2E154 T155 F160 L161 R162E154-M158 WeakPolarHBondContact O-CG 3.4Å; E154-M158 PolarHBondContact O-N 3.47Å; T155-M158 PolarHBondContact O-N 3.36Å; M158-F160 VanDerWaalsContact C-N 3.32Å; M158-F160 PolarHBondContact O-N 3.38Å; M158-L161 PolarHBondContact O-N 3.38Å; M158-L161 HydrophobicContact SD-CD1 4.28Å; M158-R162 WeakPolarHBondContact O-CB 3.44Å; M158-R162 PolarHBondContact O-N 3.19Å
159D96.6Very high95.3Very high64 Ų64110.3 Ų110.334%0.34251%0.509SS..Hα-helixtrans-65.7-35.2174.7-74.1-21.1000112.6T155 R163T155-D159 PolarHBondContact O-N 3.11Å; D159-R163 WeakPolarHBondContact O-CG 3.41Å; D159-R163 PolarHBondContact O-N 3.44Å; D159-R163 VanDerWaalsContact O-N 3.11Å; D159-R163 PolarHBondContact O-NE 3.03Å
160F97.5Very high95.8Very high123 Ų123109 Ų10954%0.53951%0.506SS..Hα-helixtrans-64-49.2172.1177.1-97.7000111.6K156 R157 M158 R162 R163 V164K156-F160 WeakPolarHBondContact O-CB 3.35Å; K156-F160 PolarHBondContact O-N 2.84Å; R157-F160 WeakPolarHBondContact O-CB 3.37Å; R157-F160 PolarHBondContact O-N 3.42Å; M158-F160 VanDerWaalsContact C-N 3.32Å; M158-F160 PolarHBondContact O-N 3.38Å; F160-R162 VanDerWaalsContact C-N 3.32Å; F160-R162 PolarHBondContact O-N 3.04Å; F160-R163 PolarHBondContact O-N 3.34Å; F160-R163 VanDerWaalsContact O-N 3.15Å; F160-V164 HydrophobicContact CD1-CG2 4.2Å; F160-V164 HydrophobicContact CE1-CG2 3.73Å; F160-V164 HydrophobicContact CE2-CG2 4.14Å; F160-V164 HydrophobicContact CZ-CG2 3.7Å; F160-V164 WeakPolarHBondContact O-CG2 3.36Å; F160-V164 PolarHBondContact O-N 2.95Å
161L97.6Very high96.2Very high88 Ų88110.3 Ų110.346%0.46151%0.507SS..Hα-helixtrans-59.8-41.9178-69.7175.5000112R157 M158 R163 V164 E165R157-L161 WeakPolarHBondContact O-CG 3.46Å; R157-L161 PolarHBondContact O-N 3.19Å; M158-L161 PolarHBondContact O-N 3.38Å; M158-L161 HydrophobicContact SD-CD1 4.28Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 2.92Å; L161-V164 PolarHBondContact O-N 3.35Å; L161-E165 WeakPolarHBondContact O-CB 3.48Å; L161-E165 PolarHBondContact O-N 3.43Å
162R97.8Very high96.5Very high163 Ų163107.9 Ų107.962%0.61550%0.497SS*.Hα-helixtrans-60-41.7175.4-168.5-174.9-59.31774.7112.1M158 F160 M166M158-R162 WeakPolarHBondContact O-CB 3.44Å; M158-R162 PolarHBondContact O-N 3.19Å; F160-R162 VanDerWaalsContact C-N 3.32Å; F160-R162 PolarHBondContact O-N 3.04Å; R162-M166 WeakPolarHBondContact O-CB 3.41Å; R162-M166 PolarHBondContact O-N 2.93Å
163R97.6Very high96.8Very high143 Ų143106.3 Ų106.354%0.5450%0.496SS..Hα-helixtrans-64.7-45.3175.4-78.3-177.9-75.2-166-1.2111.8D159 F160 L161 E165 M166 Y167D159-R163 WeakPolarHBondContact O-CG 3.41Å; D159-R163 PolarHBondContact O-N 3.44Å; D159-R163 VanDerWaalsContact O-N 3.11Å; D159-R163 PolarHBondContact O-NE 3.03Å; F160-R163 PolarHBondContact O-N 3.34Å; F160-R163 VanDerWaalsContact O-N 3.15Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 2.92Å; R163-E165 PolarHBondContact O-N 3.49Å; R163-M166 PolarHBondContact O-N 3.19Å; R163-Y167 WeakPolarHBondContact O-CD2 3.44Å; R163-Y167 PolarHBondContact O-N 3.43Å
164V97Very high97.1Very high63 Ų63113.1 Ų113.138%0.38251%0.509SS..Hα-helixtrans-61.2-43.8177.6172.80000111.4F160 L161 M166 Y167 T168F160-V164 HydrophobicContact CD1-CG2 4.2Å; F160-V164 HydrophobicContact CE1-CG2 3.73Å; F160-V164 HydrophobicContact CE2-CG2 4.14Å; F160-V164 HydrophobicContact CZ-CG2 3.7Å; F160-V164 WeakPolarHBondContact O-CG2 3.36Å; F160-V164 PolarHBondContact O-N 2.95Å; L161-V164 PolarHBondContact O-N 3.35Å; V164-M166 VanDerWaalsContact C-N 3.35Å; V164-M166 PolarHBondContact O-N 3.44Å; V164-Y167 PolarHBondContact O-N 3.2Å; V164-T168 WeakPolarHBondContact O-CB 3.31Å; V164-T168 PolarHBondContact O-N 2.95Å; V164-T168 PolarHBondContact O-OG1 3.23Å
165E98.1Very high97.2Very high92 Ų92112.2 Ų112.243%0.4351%0.507SS..Hα-helixtrans-61.4-43.6176.2-172.3-177.6-16900111.5L161 R163 T168 R169L161-E165 WeakPolarHBondContact O-CB 3.48Å; L161-E165 PolarHBondContact O-N 3.43Å; R163-E165 PolarHBondContact O-N 3.49Å; E165-T168 WeakPolarHBondContact O-CB 3.37Å; E165-T168 PolarHBondContact O-N 3.39Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.1Å; E165-R169 IonicContact OE1-CZ 3.2Å; E165-R169 IonicContact OE1-NE 3.91Å; E165-R169 IonicContact OE1-NH1 3.65Å; E165-R169 IonicContact OE1-NH2 2.63Å; E165-R169 PolarHBondContact OE1-NH2 3.43Å
166M98.3Very high97.4Very high77 Ų77116.6 Ų116.638%0.37951%0.514SS..Hα-helixtrans-61-46.1176-176.9-78.3-63.700111.9R162 R163 V164 T168 R169 N170R162-M166 WeakPolarHBondContact O-CB 3.41Å; R162-M166 PolarHBondContact O-N 2.93Å; R163-M166 PolarHBondContact O-N 3.19Å; V164-M166 VanDerWaalsContact C-N 3.35Å; V164-M166 PolarHBondContact O-N 3.44Å; M166-T168 VanDerWaalsContact C-N 3.29Å; M166-T168 PolarHBondContact O-N 3.45Å; M166-R169 PolarHBondContact O-N 3.01Å; M166-N170 WeakPolarHBondContact O-CB 3.43Å; M166-N170 PolarHBondContact O-N 3.24Å; M166-N170 PolarHBondContact SD-ND2 2.77Å
167Y98.4Very high97.5Very high158 Ų158113.1 Ų113.162%0.6251%0.509SS*.Hα-helixtrans-61.5-38.2175-78.1-64.8000112.5R163 V164 N170 R171R163-Y167 WeakPolarHBondContact O-CD2 3.44Å; R163-Y167 PolarHBondContact O-N 3.43Å; V164-Y167 PolarHBondContact O-N 3.2Å; Y167-N170 PolarHBondContact O-N 2.91Å; Y167-R171 VanDerWaalsContact O-CB 3.32Å; Y167-R171 WeakPolarHBondContact O-CB 3.42Å; Y167-R171 PolarHBondContact O-N 2.91Å
168T97.7Very high97.6Very high68 Ų68109.2 Ų109.242%0.41750%0.504SS..Hα-helixtrans-64.8-48.5177.7-54.60000110.6V164 E165 M166 N170 R171 E172V164-T168 WeakPolarHBondContact O-CB 3.31Å; V164-T168 PolarHBondContact O-N 2.95Å; V164-T168 PolarHBondContact O-OG1 3.23Å; E165-T168 WeakPolarHBondContact O-CB 3.37Å; E165-T168 PolarHBondContact O-N 3.39Å; M166-T168 VanDerWaalsContact C-N 3.29Å; M166-T168 PolarHBondContact O-N 3.45Å; T168-N170 PolarHBondContact O-N 3.49Å; T168-R171 PolarHBondContact O-N 2.84Å; T168-E172 WeakPolarHBondContact O-CG 3.43Å; T168-E172 PolarHBondContact O-N 2.91Å
169R98Very high97.7Very high152 Ų152112.7 Ų112.757%0.57451%0.512SS*.Hα-helixtrans-59-44174.6-74.4-178178.3145.64.7112.5E165 M166 R171 E172 A173E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.1Å; E165-R169 IonicContact OE1-CZ 3.2Å; E165-R169 IonicContact OE1-NE 3.91Å; E165-R169 IonicContact OE1-NH1 3.65Å; E165-R169 IonicContact OE1-NH2 2.63Å; E165-R169 PolarHBondContact OE1-NH2 3.43Å; M166-R169 PolarHBondContact O-N 3.01Å; R169-R171 PolarHBondContact O-N 3.34Å; R169-E172 PolarHBondContact O-N 3.45Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 2.91Å
170N97.7Very high97.7Very high89 Ų89112.9 Ų112.948%0.47652%0.516SS..Hα-helixtrans-64.7-39.9177.7-82.8-10.5000112.3M166 Y167 T168 A173 R174M166-N170 WeakPolarHBondContact O-CB 3.43Å; M166-N170 PolarHBondContact O-N 3.24Å; M166-N170 PolarHBondContact SD-ND2 2.77Å; Y167-N170 PolarHBondContact O-N 2.91Å; T168-N170 PolarHBondContact O-N 3.49Å; N170-A173 PolarHBondContact O-N 3.47Å; N170-R174 WeakPolarHBondContact O-CG 3.33Å; N170-R174 PolarHBondContact O-N 3.47Å
171R97.6Very high97.7Very high185 Ų185109.9 Ų109.970%0.69851%0.51SS*.Hα-helixtrans-63.4-46174.7-177179.4179.4-177.90.4111.1Y167 T168 R169 R174 I175Y167-R171 VanDerWaalsContact O-CB 3.32Å; Y167-R171 WeakPolarHBondContact O-CB 3.42Å; Y167-R171 PolarHBondContact O-N 2.91Å; T168-R171 PolarHBondContact O-N 2.84Å; R169-R171 PolarHBondContact O-N 3.34Å; R171-R174 PolarHBondContact O-N 3.09Å; R171-I175 HydrophobicContact CG-CD1 4.09Å; R171-I175 WeakPolarHBondContact O-CG1 3.35Å; R171-I175 PolarHBondContact O-N 3.18Å
172E98.1Very high97.7Very high105 Ų105111.5 Ų111.549%0.49152%0.517SS..Hα-helixtrans-63.3-41.3176.9-73.5178.5-176.800112.3T168 R169 R174 I175 R176T168-E172 WeakPolarHBondContact O-CG 3.43Å; T168-E172 PolarHBondContact O-N 2.91Å; R169-E172 PolarHBondContact O-N 3.45Å; E172-R174 PolarHBondContact O-N 3.11Å; E172-I175 PolarHBondContact O-N 3.15Å; E172-R176 WeakPolarHBondContact O-CB 3.44Å; E172-R176 PolarHBondContact O-N 3.25Å
173A98.1Very high97.6Very high52 Ų52108.2 Ų108.243%0.4351%0.511SS..Hα-helixtrans-60.4-44175.500000111.5R169 N170 R176 A177R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 2.91Å; N170-A173 PolarHBondContact O-N 3.47Å; A173-R176 PolarHBondContact O-N 2.63Å; A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.16Å
174R97.7Very high97.6Very high203 Ų203107.7 Ų107.777%0.76651%0.513SS*.Hα-helixtrans-61.7-44.3174.5-76.7178.961.6-177.8-1112.5N170 R171 E172 A177 C178N170-R174 WeakPolarHBondContact O-CG 3.33Å; N170-R174 PolarHBondContact O-N 3.47Å; R171-R174 PolarHBondContact O-N 3.09Å; E172-R174 PolarHBondContact O-N 3.11Å; R174-A177 PolarHBondContact O-N 2.94Å; R174-C178 WeakPolarHBondContact O-CB 3.42Å; R174-C178 PolarHBondContact O-N 3.46Å
175I97.3Very high97.5Very high73 Ų73108.8 Ų108.837%0.37452%0.52SS..Hα-helixtrans-64-43.2177.8-67.6166.4000110.4R171 E172 C178 R179R171-I175 HydrophobicContact CG-CD1 4.09Å; R171-I175 WeakPolarHBondContact O-CG1 3.35Å; R171-I175 PolarHBondContact O-N 3.18Å; E172-I175 PolarHBondContact O-N 3.15Å; I175-C178 PolarHBondContact O-N 3.14Å; I175-R179 WeakPolarHBondContact O-CG 3.45Å; I175-R179 PolarHBondContact O-N 3.05Å
176R97.9Very high97.4Very high172 Ų172106.4 Ų106.465%0.64952%0.516SS*.Hα-helixtrans-62.6-45.7177.2-169.7-179-67.2157.90.9111.1E172 A173 C178 R179 T180E172-R176 WeakPolarHBondContact O-CB 3.44Å; E172-R176 PolarHBondContact O-N 3.25Å; A173-R176 PolarHBondContact O-N 2.63Å; R176-C178 VanDerWaalsContact C-N 3.34Å; R176-C178 PolarHBondContact O-N 3Å; R176-R179 PolarHBondContact O-N 3.36Å; R176-T180 WeakPolarHBondContact O-CG2 3.45Å; R176-T180 PolarHBondContact O-N 2.93Å; R176-T180 PolarHBondContact O-OG1 2.95Å
177A97.9Very high97.3Very high55 Ų55109.3 Ų109.346%0.45553%0.526SS..Hα-helixtrans-57.8-46.6175.800000111.6A173 R174 R179 T180 S181A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.16Å; R174-A177 PolarHBondContact O-N 2.94Å; A177-R179 PolarHBondContact O-N 3.38Å; A177-T180 WeakPolarHBondContact CA-OG1 3.49Å; A177-T180 PolarHBondContact O-N 3.29Å; A177-T180 PolarHBondContact O-OG1 3.34Å; A177-S181 PolarHBondContact O-N 3.34Å; A177-S181 PolarHBondContact O-OG 2.95Å
178C97.5Very high97.1Very high70 Ų70107.9 Ų107.947%0.47353%0.525SS..Hα-helixtrans-59.9-44.3176.3-174.80000112.7R174 I175 R176 T180 S181 M182R174-C178 WeakPolarHBondContact O-CB 3.42Å; R174-C178 PolarHBondContact O-N 3.46Å; I175-C178 PolarHBondContact O-N 3.14Å; R176-C178 VanDerWaalsContact C-N 3.34Å; R176-C178 PolarHBondContact O-N 3Å; C178-T180 PolarHBondContact O-N 2.98Å; C178-S181 PolarHBondContact O-N 3.39Å; C178-S181 PolarHBondContact O-OG 3Å; C178-M182 WeakPolarHBondContact O-CG 3.33Å; C178-M182 PolarHBondContact O-N 3.08Å
179R97.6Very high96.8Very high172 Ų172108 Ų10865%0.64953%0.533SS*.Hα-helixtrans-62.4-44.8175.3-71.4177.7-179.7173.80.4111.7I175 R176 A177 S181 M182 D183I175-R179 WeakPolarHBondContact O-CG 3.45Å; I175-R179 PolarHBondContact O-N 3.05Å; R176-R179 PolarHBondContact O-N 3.36Å; A177-R179 PolarHBondContact O-N 3.38Å; R179-S181 VanDerWaalsContact C-N 3.32Å; R179-S181 PolarHBondContact O-N 2.8Å; R179-M182 PolarHBondContact O-N 2.91Å; R179-D183 PolarHBondContact O-N 3.49Å
180T97.4Very high96.5Very high67 Ų67111 Ų11141%0.41154%0.544SS..Hα-helixtrans-66.3-32.717959.60000113.1R176 A177 C178 K184R176-T180 WeakPolarHBondContact O-CG2 3.45Å; R176-T180 PolarHBondContact O-N 2.93Å; R176-T180 PolarHBondContact O-OG1 2.95Å; A177-T180 WeakPolarHBondContact CA-OG1 3.49Å; A177-T180 PolarHBondContact O-N 3.29Å; A177-T180 PolarHBondContact O-OG1 3.34Å; C178-T180 PolarHBondContact O-N 2.98Å; T180-K184 VanDerWaalsContact O-CG 3.23Å; T180-K184 WeakPolarHBondContact O-CG 3.31Å; T180-K184 PolarHBondContact O-N 2.79Å
181S97.4Very high96.3Very high60 Ų60114.5 Ų114.542%0.4256%0.556SS.*Hα-helixtrans-70.1-42.8174.865.40000111A177 C178 R179 D183 K184 T185A177-S181 PolarHBondContact O-N 3.34Å; A177-S181 PolarHBondContact O-OG 2.95Å; C178-S181 PolarHBondContact O-N 3.39Å; C178-S181 PolarHBondContact O-OG 3Å; R179-S181 VanDerWaalsContact C-N 3.32Å; R179-S181 PolarHBondContact O-N 2.8Å; S181-D183 PolarHBondContact O-N 2.89Å; S181-K184 PolarHBondContact O-N 3.22Å; S181-T185 WeakPolarHBondContact O-CG2 3.42Å; S181-T185 PolarHBondContact O-N 3.39Å; S181-T185 PolarHBondContact O-OG1 3.46Å
182M96.2Very high96Very high122 Ų122113.7 Ų113.760%0.60156%0.558SS**Hα-helixtrans-61.2-40.8173.4-71.3-17468.800112.7C178 R179 K184 T185 A186C178-M182 WeakPolarHBondContact O-CG 3.33Å; C178-M182 PolarHBondContact O-N 3.08Å; R179-M182 PolarHBondContact O-N 2.91Å; M182-K184 VanDerWaalsContact C-N 3.32Å; M182-K184 PolarHBondContact O-N 2.95Å; M182-T185 PolarHBondContact O-N 3.49Å; M182-T185 PolarHBondContact O-OG1 3.16Å; M182-A186 VanDerWaalsContact O-CB 3.25Å; M182-A186 WeakPolarHBondContact O-CB 3.25Å; M182-A186 PolarHBondContact O-N 3.46Å
183D97.3Very high95.4Very high94 Ų94117.1 Ų117.150%0.50357%0.573SS.*Hα-helixtrans-66.8-34.9177.1-76.8-27.4000112.2R179 S181 K187R179-D183 PolarHBondContact O-N 3.49Å; S181-D183 PolarHBondContact O-N 2.89Å; D183-K187 WeakPolarHBondContact O-CB 3.37Å; D183-K187 WeakPolarHBondContact O-CG 3.39Å; D183-K187 PolarHBondContact O-N 3.39Å
184K96.8Very high94.9Very high133 Ų133118.2 Ų118.258%0.57858%0.583SS**Hα-helixtrans-65.6-49.7174.7-75.9172.4-178-175.10111.1T180 S181 M182 A186 K187 E188T180-K184 VanDerWaalsContact O-CG 3.23Å; T180-K184 WeakPolarHBondContact O-CG 3.31Å; T180-K184 PolarHBondContact O-N 2.79Å; S181-K184 PolarHBondContact O-N 3.22Å; M182-K184 VanDerWaalsContact C-N 3.32Å; M182-K184 PolarHBondContact O-N 2.95Å; K184-A186 VanDerWaalsContact C-N 3.31Å; K184-A186 PolarHBondContact O-N 3.09Å; K184-K187 PolarHBondContact O-N 3.15Å; K184-K187 VanDerWaalsContact O-N 3.17Å; K184-E188 WeakPolarHBondContact O-CG 3.46Å; K184-E188 PolarHBondContact O-N 3.46Å
185T95.2Very high94.4Very high86 Ų86117.8 Ų117.853%0.52859%0.586SS.*Hα-helixtrans-64-37.3178.257.60000111.7S181 M182 E188 A189S181-T185 WeakPolarHBondContact O-CG2 3.42Å; S181-T185 PolarHBondContact O-N 3.39Å; S181-T185 PolarHBondContact O-OG1 3.46Å; M182-T185 PolarHBondContact O-N 3.49Å; M182-T185 PolarHBondContact O-OG1 3.16Å; T185-E188 PolarHBondContact O-N 2.66Å; T185-A189 WeakPolarHBondContact O-CB 3.48Å; T185-A189 PolarHBondContact O-N 3.28Å
186A95.3Very high94.2Very high41 Ų41120 Ų12034%0.33961%0.605SS.*Hα-helixtrans-64.7-40.4173.700000112.5M182 K184 A189 R190M182-A186 VanDerWaalsContact O-CB 3.25Å; M182-A186 WeakPolarHBondContact O-CB 3.25Å; M182-A186 PolarHBondContact O-N 3.46Å; K184-A186 VanDerWaalsContact C-N 3.31Å; K184-A186 PolarHBondContact O-N 3.09Å; A186-A189 PolarHBondContact O-N 3.4Å; A186-R190 WeakPolarHBondContact O-CG 3.5Å; A186-R190 PolarHBondContact O-N 3.29Å; A186-R190 VanDerWaalsContact O-N 3.08Å
187K95.9Very high93.7Very high138 Ų138115.8 Ų115.860%0.661%0.608SS**Hα-helixtrans-66.2-39.5174.5-76.7171.8-176.8179.40111.9D183 K184 R190 K191D183-K187 WeakPolarHBondContact O-CB 3.37Å; D183-K187 WeakPolarHBondContact O-CG 3.39Å; D183-K187 PolarHBondContact O-N 3.39Å; K184-K187 PolarHBondContact O-N 3.15Å; K184-K187 VanDerWaalsContact O-N 3.17Å; K187-R190 PolarHBondContact O-N 3.48Å; K187-K191 WeakPolarHBondContact O-CG 3.35Å; K187-K191 PolarHBondContact O-N 3.49Å
188E94.4Very high93.3Very high128 Ų128117.5 Ų117.560%0.59861%0.614SS**Hα-helixtrans-65.8-42.7175.1-74.4171.6-169.500111.7K184 T185 R190 K191 F192K184-E188 WeakPolarHBondContact O-CG 3.46Å; K184-E188 PolarHBondContact O-N 3.46Å; T185-E188 PolarHBondContact O-N 2.66Å; E188-R190 VanDerWaalsContact C-N 3.27Å; E188-R190 PolarHBondContact O-N 2.91Å; E188-K191 WeakPolarHBondContact O-CA 3.36Å; E188-K191 WeakPolarHBondContact O-CB 3.42Å; E188-K191 PolarHBondContact O-N 3.25Å; E188-F192 PolarHBondContact O-N 3.39Å
189A91.9Very high92.8Very high71 Ų71123 Ų12359%0.58763%0.63SS**Hα-helixtrans-60-36.8174.500000112.2T185 A186 K191 F192T185-A189 WeakPolarHBondContact O-CB 3.48Å; T185-A189 PolarHBondContact O-N 3.28Å; A186-A189 PolarHBondContact O-N 3.4Å; A189-K191 VanDerWaalsContact C-N 3.3Å; A189-K191 PolarHBondContact O-N 2.91Å; A189-F192 VanDerWaalsContact O-CB 3.25Å; A189-F192 WeakPolarHBondContact O-CB 3.38Å; A189-F192 PolarHBondContact O-N 3.41Å
190R92.1Very high92.1Very high214 Ų214122.6 Ų122.681%0.80863%0.633SS**Hα-helixtrans-69.2-24.9173.9-71.6176.1-173.1179.93.4113.6A186 K187 E188 F192A186-R190 WeakPolarHBondContact O-CG 3.5Å; A186-R190 PolarHBondContact O-N 3.29Å; A186-R190 VanDerWaalsContact O-N 3.08Å; K187-R190 PolarHBondContact O-N 3.48Å; E188-R190 VanDerWaalsContact C-N 3.27Å; E188-R190 PolarHBondContact O-N 2.91Å; R190-F192 VanDerWaalsContact C-N 3.26Å
191K92.8Very high91.2Very high164 Ų164127 Ų12771%0.71365%0.649SS**THydrogen-bonded Turntrans-80.5-7.2174.5-69.2175.4-177.8-177.20112.8K187 E188 A189 Q193K187-K191 WeakPolarHBondContact O-CG 3.35Å; K187-K191 PolarHBondContact O-N 3.49Å; E188-K191 WeakPolarHBondContact O-CA 3.36Å; E188-K191 WeakPolarHBondContact O-CB 3.42Å; E188-K191 PolarHBondContact O-N 3.25Å; A189-K191 VanDerWaalsContact C-N 3.3Å; A189-K191 PolarHBondContact O-N 2.91Å; K191-Q193 VanDerWaalsContact C-N 3.3Å; K191-Q193 PolarHBondContact O-N 3.09Å
192F91.1Very high89.7Confident168 Ų168132.1 Ų132.174%0.73767%0.67SS**  trans-66.491.4175.9-175.1-99.8000109.9E188 A189 R190 A194E188-F192 PolarHBondContact O-N 3.39Å; A189-F192 VanDerWaalsContact O-CB 3.25Å; A189-F192 WeakPolarHBondContact O-CB 3.38Å; A189-F192 PolarHBondContact O-N 3.41Å; R190-F192 VanDerWaalsContact C-N 3.26Å; F192-A194 HydrophobicContact CE1-CB 4.32Å; F192-A194 PolarHBondContact O-N 2.99Å
193Q86.4Confident87.9Confident176 Ų176131.7 Ų131.782%0.82268%0.675SS**  trans-81.5111.4167-62.7-156.515.600107.8K191 K195K191-Q193 VanDerWaalsContact C-N 3.3Å; K191-Q193 PolarHBondContact O-N 3.09Å; Q193-K195 PolarHBondContact O-N 3.49Å
194A87.9Confident86.4Confident76 Ų76136.3 Ų136.363%0.62869%0.69SS**PPolyproline II helixtrans-57.4124.2171.700000108.4F192F192-A194 HydrophobicContact CE1-CB 4.32Å; F192-A194 PolarHBondContact O-N 2.99Å
195K86.9Confident84.9Confident194 Ų194139.4 Ų139.484%0.84370%0.704SS**PPolyproline II helixtrans-56.4134.9172.8-66.4-179.8-179.3178.30107.7Q193 A197Q193-K195 PolarHBondContact O-N 3.49Å; K195-A197 PolarHBondContact O-N 2.9Å
196P91.7Very high83.3Confident119 Ų119142.3 Ų142.377%0.77371%0.714SS**PPolyproline II helixtrans-55.4143178.223.4-32.8000109.1
197A88.8Confident81.9Confident84 Ų84144.2 Ų144.269%0.69473%0.73SS**PPolyproline II helixtrans-49.3131.4179.400000109.3K195 K199K195-A197 PolarHBondContact O-N 2.9Å; A197-K199 PolarHBondContact O-N 3.29Å
198P89Confident80.3Confident90 Ų90145.6 Ų145.658%0.58474%0.744SS**PPolyproline II helixtrans-55.4129-179.517.1-26.5000109F200P198-F200 HydrophobicContact CB-CE2 4.48Å; P198-F200 HydrophobicContact CB-CZ 4.49Å; P198-F200 HydrophobicContact CG-CE2 3.87Å; P198-F200 HydrophobicContact CG-CZ 3.87Å; P198-F200 WeakPolarHBondContact O-CD2 3.36Å; P198-F200 PolarHBondContact O-N 3.27Å
199K86.8Confident78.9Confident187 Ų187143.8 Ų143.881%0.81375%0.746SS**  trans-69.196.2178.4-66.2-178.8-178179.50108A197 H201A197-K199 PolarHBondContact O-N 3.29Å; K199-H201 PolarHBondContact O-N 3.48Å
200F82.3Confident77.8Confident163 Ų163151.2 Ų151.272%0.71576%0.759SS**  trans-71.3101.4169.9-63.9-78.8000107.6P198 L202P198-F200 HydrophobicContact CB-CE2 4.48Å; P198-F200 HydrophobicContact CB-CZ 4.49Å; P198-F200 HydrophobicContact CG-CE2 3.87Å; P198-F200 HydrophobicContact CG-CZ 3.87Å; P198-F200 WeakPolarHBondContact O-CD2 3.36Å; P198-F200 PolarHBondContact O-N 3.27Å; F200-L202 VanDerWaalsContact C-N 3.33Å; F200-L202 PolarHBondContact O-N 3.47Å
201H78.4Confident76.7Confident160 Ų160147.4 Ų147.474%0.74176%0.759SS**  trans-62.2101.8164-62.6-71000107K199 T203K199-H201 PolarHBondContact O-N 3.48Å; H201-T203 PolarHBondContact O-N 3.32Å
202L67Low75.8Confident167 Ų167148.8 Ų148.887%0.87477%0.765SS**  trans-62.910.2-178.6-88119.6000114.2F200F200-L202 VanDerWaalsContact C-N 3.33Å; F200-L202 PolarHBondContact O-N 3.47Å
203T58.4Low75.3Confident112 Ų112146.7 Ų146.769%0.68777%0.766SS**  trans-12749.7-163.652.50000112.2H201H201-T203 PolarHBondContact O-N 3.32Å
204K65.6Low75.2Confident192 Ų192144.5 Ų144.584%0.83577%0.765SS**  trans-91.792.1139.1-69.7-172.1-177.4-175.30105.3I206K204-I206 VanDerWaalsContact C-N 3.31Å; K204-I206 PolarHBondContact O-N 3.25Å
205K64.6Low75.2Confident198 Ų198151.5 Ų151.586%0.86178%0.775SS**  trans-43.2108.1162.4-66.7-178.9179.7-178.10104.6A207K205-A207 PolarHBondContact O-N 2.94Å
206I62.2Low75.4Confident146 Ų146148.1 Ų148.175%0.74977%0.773SS**  trans-6590.2173.6-61.7169000101.9K204 N208K204-I206 VanDerWaalsContact C-N 3.31Å; K204-I206 PolarHBondContact O-N 3.25Å; I206-N208 PolarHBondContact O-N 2.97Å; I206-N208 VanDerWaalsContact O-N 3.11Å
207A65.5Low75.4Confident82 Ų82150.8 Ų150.868%0.67878%0.775SS**  trans-47.4125.9175.900000104.9K205 S209K205-A207 PolarHBondContact O-N 2.94Å; A207-S209 PolarHBondContact O-N 3.42Å
208N63Low75.6Confident166 Ų166152.6 Ų152.689%0.88878%0.78SS**  trans-4764.7-170.3-65.7-26.1000113.3I206 R210I206-N208 PolarHBondContact O-N 2.97Å; I206-N208 VanDerWaalsContact O-N 3.11Å; N208-R210 PolarHBondContact O-N 3.11Å
209S64.7Low75.8Confident90 Ų90156.1 Ų156.163%0.62979%0.787SS**  trans-72104.6174.266.30000102.2A207 T211A207-S209 PolarHBondContact O-N 3.42Å; S209-T211 PolarHBondContact O-N 3.15Å
210R69.5Low76.1Confident228 Ų228156 Ų15686%0.8679%0.789SS**  trans-27.4115.4171-74.1179.1173.5-175.6-2.7107.7N208 K212N208-R210 PolarHBondContact O-N 3.11Å; R210-K212 PolarHBondContact O-N 2.89Å
211T67.4Low76.6Confident133 Ų133154.6 Ų154.682%0.81679%0.788SS**  trans-50.692.8-178360000107.8S209 T213S209-T211 PolarHBondContact O-N 3.15Å; T211-T213 VanDerWaalsContact C-N 3.3Å; T211-T213 PolarHBondContact O-N 3.39Å
212K74.2Confident77.3Confident193 Ų193155.9 Ų155.984%0.83979%0.787SS**  trans-66.8104.9168.5-70.4-174.9-178.8-177.50102.9R210 T214R210-K212 PolarHBondContact O-N 2.89Å; K212-T214 VanDerWaalsContact C-N 3.28Å; K212-T214 PolarHBondContact O-N 3.07Å
213T81.1Confident78.7Confident124 Ų124152.2 Ų152.276%0.76177%0.771SS**  trans-55.899.7172.3-570000106.5T211 R215T211-T213 VanDerWaalsContact C-N 3.3Å; T211-T213 PolarHBondContact O-N 3.39Å; T213-R215 PolarHBondContact O-N 3.39Å
214T84.5Confident80.5Confident131 Ų131150.3 Ų150.380%0.80477%0.767SS**  trans-61.7105177-58.10000106.2K212K212-T214 VanDerWaalsContact C-N 3.28Å; K212-T214 PolarHBondContact O-N 3.07Å
215R87.9Confident81.9Confident222 Ų222145.9 Ų145.984%0.83875%0.749SS**PPolyproline II helixtrans-65.2130.2174-68.9-173.4175.7-174.8-1.4107.1T213 Q217T213-R215 PolarHBondContact O-N 3.39Å; R215-Q217 PolarHBondContact O-N 3.43Å; R215-Q217 VanDerWaalsContact O-N 3.13Å
216P90.6Very high83.5Confident124 Ų124145.3 Ų145.381%0.80574%0.742SS**PPolyproline II helixtrans-59.7121.4177.525.1-32.8000108.4
217Q91.4Very high85.2Confident174 Ų174141.2 Ų141.281%0.81373%0.73SS**PPolyproline II helixtrans-78.6123.2173.3-172.6175.34.400107.7R215 F219R215-Q217 PolarHBondContact O-N 3.43Å; R215-Q217 VanDerWaalsContact O-N 3.13Å; Q217-F219 PolarHBondContact O-N 3.49Å
218P92.7Very high86.7Confident123 Ų123143.2 Ų143.280%0.79973%0.725SS**PPolyproline II helixtrans-62.913017326.6-32.6000108.7
219F93.5Very high88.4Confident163 Ų163141.2 Ų141.272%0.71571%0.71SS**  trans-112.9139.1174.861.7-86.5000109.2Q217 L221Q217-F219 PolarHBondContact O-N 3.49Å; F219-L221 HydrophobicContact CD2-CD2 4.07Å; F219-L221 HydrophobicContact CD2-CG 4.31Å; F219-L221 HydrophobicContact CE2-CD2 3.6Å; F219-L221 HydrophobicContact CE2-CG 3.96Å
220Q93.2Very high90Very high185 Ų185145 Ų14586%0.86471%0.711SS**  trans-88.3125.5174.5-67.1177.6-2.100108.9R222Q220-R222 PolarHBondContact O-N 3.14Å
221L92.9Very high91.4Very high134 Ų134140.7 Ų140.770%0.70270%0.698SS**  trans-75114.9175.3-73.3172.9000109.6F219 T223F219-L221 HydrophobicContact CD2-CD2 4.07Å; F219-L221 HydrophobicContact CD2-CG 4.31Å; F219-L221 HydrophobicContact CE2-CD2 3.6Å; F219-L221 HydrophobicContact CE2-CG 3.96Å; L221-T223 PolarHBondContact O-N 3.12Å
222R94.4Very high92.9Very high186 Ų186139.7 Ų139.770%0.70268%0.684SS**  trans-77.945.3175.5-64.3177.1178.3-177.92.5112.6Q220 A224 E225 R226Q220-R222 PolarHBondContact O-N 3.14Å; R222-A224 VanDerWaalsContact C-N 3.33Å; R222-A224 PolarHBondContact O-N 3.15Å; R222-E225 HydrophobicContact CB-CB 4.41Å; R222-E225 WeakPolarHBondContact CD-OE2 3.32Å; R222-R226 PolarHBondContact O-N 3.47Å
223T95.4Very high94Very high90 Ų90136.5 Ų136.555%0.55267%0.671SS**Hα-helixtrans-67.3-36-175.9-52.10000111.4L221 R226 A227L221-T223 PolarHBondContact O-N 3.12Å; T223-R226 PolarHBondContact O-N 3.18Å; T223-A227 PolarHBondContact O-N 3.31Å
224A95.7Very high94.8Very high73 Ų73135.1 Ų135.160%0.60366%0.656SS**Hα-helixtrans-62.6-50.7177.200000111.8R222 R226 A227 E228R222-A224 VanDerWaalsContact C-N 3.33Å; R222-A224 PolarHBondContact O-N 3.15Å; A224-R226 VanDerWaalsContact C-N 3.31Å; A224-R226 PolarHBondContact O-N 3.42Å; A224-A227 WeakPolarHBondContact O-CB 3.43Å; A224-A227 PolarHBondContact O-N 3.05Å; A224-A227 VanDerWaalsContact O-N 3.09Å; A224-E228 PolarHBondContact O-N 3.43Å
225E96.6Very high95.5Very high98 Ų98132.9 Ų132.946%0.45864%0.639SS.*Hα-helixtrans-58.5-42.5177.2-63.6175.8-165.400111.9R222 A227 E228 Q229R222-E225 HydrophobicContact CB-CB 4.41Å; R222-E225 WeakPolarHBondContact CD-OE2 3.32Å; E225-A227 VanDerWaalsContact C-N 3.32Å; E225-A227 PolarHBondContact O-N 3.41Å; E225-E228 PolarHBondContact O-N 3.26Å; E225-Q229 WeakPolarHBondContact O-CG 3.48Å; E225-Q229 PolarHBondContact O-N 3.03Å
226R97.1Very high96Very high187 Ų187128.5 Ų128.571%0.70663%0.626SS**Hα-helixtrans-62.8-39176.7-174-176.1-65.8175.4-0.5112R222 T223 A224 Q229 R230R222-R226 PolarHBondContact O-N 3.47Å; T223-R226 PolarHBondContact O-N 3.18Å; A224-R226 VanDerWaalsContact C-N 3.31Å; A224-R226 PolarHBondContact O-N 3.42Å; R226-Q229 PolarHBondContact O-N 2.97Å; R226-R230 WeakPolarHBondContact O-CB 3.43Å; R226-R230 PolarHBondContact O-N 3.26Å
227A97.8Very high96.3Very high60 Ų60126.2 Ų126.250%0.49661%0.607SS.*Hα-helixtrans-65.7-40.8177.900000111.4T223 A224 E225 R230 K231T223-A227 PolarHBondContact O-N 3.31Å; A224-A227 WeakPolarHBondContact O-CB 3.43Å; A224-A227 PolarHBondContact O-N 3.05Å; A224-A227 VanDerWaalsContact O-N 3.09Å; E225-A227 VanDerWaalsContact C-N 3.32Å; E225-A227 PolarHBondContact O-N 3.41Å; A227-R230 PolarHBondContact O-N 3.42Å; A227-K231 PolarHBondContact O-N 2.96Å
228E98.1Very high96.7Very high124 Ų124124.7 Ų124.758%0.57960%0.597SS**Hα-helixtrans-64.6-45175.1-69.7-177.5176.600112.3A224 E225 R230 K231 Q232A224-E228 PolarHBondContact O-N 3.43Å; E225-E228 PolarHBondContact O-N 3.26Å; E228-R230 VanDerWaalsContact C-N 3.29Å; E228-R230 PolarHBondContact O-N 3.4Å; E228-K231 WeakPolarHBondContact O-CB 3.49Å; E228-K231 PolarHBondContact O-N 2.88Å; E228-Q232 WeakPolarHBondContact O-CG 3.35Å; E228-Q232 PolarHBondContact O-N 2.81Å
229Q98.1Very high96.9Very high123 Ų123124.9 Ų124.958%0.57559%0.588SS**Hα-helixtrans-59.5-41.3175.8-73176.3-2.600111.8E225 R226 Q232 F233E225-Q229 WeakPolarHBondContact O-CG 3.48Å; E225-Q229 PolarHBondContact O-N 3.03Å; R226-Q229 PolarHBondContact O-N 2.97Å; Q229-Q232 PolarHBondContact O-N 3.32Å; Q229-F233 WeakPolarHBondContact O-CB 3.49Å; Q229-F233 PolarHBondContact O-N 3.35Å
230R98Very high97.1Very high169 Ų169124.2 Ų124.264%0.63858%0.584SS**Hα-helixtrans-63.1-44.6175.6-175.4173.3179.4160.45.2111.6R226 A227 E228 Q232 F233 E234R226-R230 WeakPolarHBondContact O-CB 3.43Å; R226-R230 PolarHBondContact O-N 3.26Å; A227-R230 PolarHBondContact O-N 3.42Å; E228-R230 VanDerWaalsContact C-N 3.29Å; E228-R230 PolarHBondContact O-N 3.4Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-Q232 PolarHBondContact O-N 2.94Å; R230-F233 PolarHBondContact O-N 3.2Å; R230-E234 WeakPolarHBondContact CG-OE1 3.47Å; R230-E234 IonicContact CZ-OE1 3.94Å; R230-E234 IonicContact NE-OE1 3.03Å; R230-E234 PolarHBondContact NE-OE1 2.84Å; R230-E234 IonicContact NH2-OE1 3.97Å; R230-E234 WeakPolarHBondContact O-CG 3.3Å; R230-E234 PolarHBondContact O-N 2.85Å
231K98.3Very high97.3Very high139 Ų139121.1 Ų121.160%0.60457%0.57SS**Hα-helixtrans-59.7-42175.4-173.6-179.4179.2-177.60111.8A227 E228 N235A227-K231 PolarHBondContact O-N 2.96Å; E228-K231 WeakPolarHBondContact O-CB 3.49Å; E228-K231 PolarHBondContact O-N 2.88Å; K231-N235 WeakPolarHBondContact O-CB 3.07Å; K231-N235 PolarHBondContact O-N 2.93Å; K231-N235 PolarHBondContact O-ND2 3.17Å
232Q98.5Very high97.6Very high111 Ų111118.6 Ų118.652%0.51955%0.554SS.*Hα-helixtrans-64-41.1175.7-69.5175.810.500112.2E228 Q229 R230 N235 K236E228-Q232 WeakPolarHBondContact O-CG 3.35Å; E228-Q232 PolarHBondContact O-N 2.81Å; Q229-Q232 PolarHBondContact O-N 3.32Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-Q232 PolarHBondContact O-N 2.94Å; Q232-N235 PolarHBondContact O-N 2.99Å; Q232-K236 WeakPolarHBondContact O-CG 3.32Å; Q232-K236 PolarHBondContact O-N 3.33Å
233F98.5Very high97.7Very high126 Ų126112.1 Ų112.155%0.55354%0.54SS*.Hα-helixtrans-64.7-45.6177.5-179.4-100.9000112.1Q229 R230 N235 K236 L237Q229-F233 WeakPolarHBondContact O-CB 3.49Å; Q229-F233 PolarHBondContact O-N 3.35Å; R230-F233 PolarHBondContact O-N 3.2Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 2.98Å; F233-K236 PolarHBondContact O-N 3.34Å; F233-L237 HydrophobicContact CD1-CD1 3.89Å; F233-L237 HydrophobicContact CD1-CG 4.39Å; F233-L237 HydrophobicContact CE1-CD1 3.31Å; F233-L237 HydrophobicContact CE1-CG 3.98Å; F233-L237 HydrophobicContact CZ-CD1 3.81Å; F233-L237 HydrophobicContact CZ-CD2 4.44Å; F233-L237 HydrophobicContact CZ-CG 4.09Å; F233-L237 PolarHBondContact O-N 3.15Å
234E98.1Very high97.8Very high95 Ų95112.7 Ų112.744%0.44454%0.539SS..Hα-helixtrans-61.6-40.8176.5-72.3172.7-171.200111.5R230 K236 L237 K238R230-E234 WeakPolarHBondContact CG-OE1 3.47Å; R230-E234 IonicContact CZ-OE1 3.94Å; R230-E234 IonicContact NE-OE1 3.03Å; R230-E234 PolarHBondContact NE-OE1 2.84Å; R230-E234 IonicContact NH2-OE1 3.97Å; R230-E234 WeakPolarHBondContact O-CG 3.3Å; R230-E234 PolarHBondContact O-N 2.85Å; E234-K236 PolarHBondContact O-N 3.45Å; E234-L237 PolarHBondContact O-N 3.16Å; E234-K238 WeakPolarHBondContact O-CB 3.42Å; E234-K238 PolarHBondContact O-N 3.26Å
235N98.6Very high97.8Very high84 Ų84115.5 Ų115.545%0.44954%0.54SS..Hα-helixtrans-61.2-44173.5-73.6-14.9000112.3K231 Q232 F233 K238 Q239K231-N235 WeakPolarHBondContact O-CB 3.07Å; K231-N235 PolarHBondContact O-N 2.93Å; K231-N235 PolarHBondContact O-ND2 3.17Å; Q232-N235 PolarHBondContact O-N 2.99Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 2.98Å; N235-K238 PolarHBondContact O-N 3.43Å; N235-Q239 WeakPolarHBondContact O-CG 3.45Å; N235-Q239 PolarHBondContact O-N 3.28Å
236K98.4Very high97.9Very high130 Ų130118.2 Ų118.257%0.56555%0.546SS*.Hα-helixtrans-64.1-40.8176.9-74.3178.1-179.6-1790112Q232 F233 E234 Q239 K240Q232-K236 WeakPolarHBondContact O-CG 3.32Å; Q232-K236 PolarHBondContact O-N 3.33Å; F233-K236 PolarHBondContact O-N 3.34Å; E234-K236 PolarHBondContact O-N 3.45Å; K236-Q239 PolarHBondContact O-N 3.01Å; K236-K240 WeakPolarHBondContact O-CG 3.43Å; K236-K240 PolarHBondContact O-N 3.04Å
237L97.6Very high97.9Very high77 Ų77114.5 Ų114.540%0.40354%0.54SS..Hα-helixtrans-61.8-46.1175-81.1179.8000111.5F233 E234 Q239 K240 Q241F233-L237 HydrophobicContact CD1-CD1 3.89Å; F233-L237 HydrophobicContact CD1-CG 4.39Å; F233-L237 HydrophobicContact CE1-CD1 3.31Å; F233-L237 HydrophobicContact CE1-CG 3.98Å; F233-L237 HydrophobicContact CZ-CD1 3.81Å; F233-L237 HydrophobicContact CZ-CD2 4.44Å; F233-L237 HydrophobicContact CZ-CG 4.09Å; F233-L237 PolarHBondContact O-N 3.15Å; E234-L237 PolarHBondContact O-N 3.16Å; L237-Q239 PolarHBondContact O-N 3.37Å; L237-K240 PolarHBondContact O-N 3.35Å; L237-Q241 WeakPolarHBondContact O-CG 3.46Å; L237-Q241 PolarHBondContact O-N 2.96Å
238K98.3Very high97.8Very high141 Ų141116.8 Ų116.861%0.61354%0.543SS*.Hα-helixtrans-60.4-44.1177.5-171.1178.2179.2-177.70111.8E234 N235 K240 Q241 E242E234-K238 WeakPolarHBondContact O-CB 3.42Å; E234-K238 PolarHBondContact O-N 3.26Å; N235-K238 PolarHBondContact O-N 3.43Å; K238-K240 VanDerWaalsContact C-N 3.33Å; K238-K240 PolarHBondContact O-N 2.94Å; K238-Q241 PolarHBondContact O-N 3.36Å; K238-E242 WeakPolarHBondContact O-CB 3.47Å; K238-E242 PolarHBondContact O-N 2.9Å
239Q98.2Very high97.8Very high128 Ų128113.6 Ų113.660%0.59854%0.537SS*.Hα-helixtrans-60-41.4175.4-75174.4-500112.4N235 K236 L237 A243N235-Q239 WeakPolarHBondContact O-CG 3.45Å; N235-Q239 PolarHBondContact O-N 3.28Å; K236-Q239 PolarHBondContact O-N 3.01Å; L237-Q239 PolarHBondContact O-N 3.37Å; Q239-A243 WeakPolarHBondContact O-CB 3.42Å; Q239-A243 PolarHBondContact O-N 2.94Å
240K97.7Very high97.8Very high148 Ų148111.3 Ų111.364%0.64353%0.529SS*.Hα-helixtrans-65.7-42.4176.5-74.6-174.9175-169.80112.2K236 L237 K238 A243 I244K236-K240 WeakPolarHBondContact O-CG 3.43Å; K236-K240 PolarHBondContact O-N 3.04Å; L237-K240 PolarHBondContact O-N 3.35Å; K238-K240 VanDerWaalsContact C-N 3.33Å; K238-K240 PolarHBondContact O-N 2.94Å; K240-A243 PolarHBondContact O-N 2.83Å; K240-I244 WeakPolarHBondContact O-CG1 3.33Å; K240-I244 PolarHBondContact O-N 3.35Å; K240-I244 VanDerWaalsContact O-N 3.08Å
241Q97.1Very high97.7Very high120 Ų120110.2 Ų110.256%0.56153%0.529SS*.Hα-helixtrans-62-48.1176-73.9173.6-18.900111.1L237 K238 A243 I244 E245L237-Q241 WeakPolarHBondContact O-CG 3.46Å; L237-Q241 PolarHBondContact O-N 2.96Å; K238-Q241 PolarHBondContact O-N 3.36Å; Q241-A243 VanDerWaalsContact C-N 3.3Å; Q241-A243 PolarHBondContact O-N 2.89Å; Q241-I244 PolarHBondContact O-N 3.47Å; Q241-I244 VanDerWaalsContact O-N 3.14Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 2.98Å
242E98.1Very high97.6Very high82 Ų82112.1 Ų112.138%0.38353%0.532SS..Hα-helixtrans-60.8-38.6177.3-172.417917800112K238 E245 R246K238-E242 WeakPolarHBondContact O-CB 3.47Å; K238-E242 PolarHBondContact O-N 2.9Å; E242-E245 PolarHBondContact O-N 3.23Å; E242-R246 WeakPolarHBondContact O-CB 3.44Å; E242-R246 VanDerWaalsContact O-CG 3.3Å; E242-R246 WeakPolarHBondContact O-CG 3.44Å; E242-R246 PolarHBondContact O-N 3.02Å; E242-R246 IonicContact OE1-CZ 3.4Å; E242-R246 IonicContact OE1-NE 3.46Å; E242-R246 PolarHBondContact OE1-NE 3.03Å; E242-R246 IonicContact OE1-NH2 2.66Å; E242-R246 PolarHBondContact OE1-NH2 3.48Å
243A97.8Very high97.5Very high49 Ų49114.4 Ų114.441%0.40554%0.536SS..Hα-helixtrans-63.3-41.5175.200000112.4Q239 K240 Q241 L247Q239-A243 WeakPolarHBondContact O-CB 3.42Å; Q239-A243 PolarHBondContact O-N 2.94Å; K240-A243 PolarHBondContact O-N 2.83Å; Q241-A243 VanDerWaalsContact C-N 3.3Å; Q241-A243 PolarHBondContact O-N 2.89Å; A243-L247 WeakPolarHBondContact O-CG 3.42Å; A243-L247 PolarHBondContact O-N 2.79Å
244I96.2Very high97.5Very high102 Ų102116.2 Ų116.252%0.52354%0.54SS..Hα-helixtrans-65.7-44.3176.3-68166.6000110.5K240 Q241 R246 L247 L248K240-I244 WeakPolarHBondContact O-CG1 3.33Å; K240-I244 PolarHBondContact O-N 3.35Å; K240-I244 VanDerWaalsContact O-N 3.08Å; Q241-I244 PolarHBondContact O-N 3.47Å; Q241-I244 VanDerWaalsContact O-N 3.14Å; I244-R246 PolarHBondContact O-N 3Å; I244-L247 PolarHBondContact O-N 3.02Å; I244-L248 HydrophobicContact CG2-CD1 4.05Å; I244-L248 HydrophobicContact CG2-CG 4.5Å; I244-L248 WeakPolarHBondContact O-CG 3.35Å; I244-L248 PolarHBondContact O-N 3Å
245E96.6Very high97.4Very high133 Ų133113.8 Ų113.862%0.62154%0.535SS*.Hα-helixtrans-61.1-43.6177.4-73.5177.7-178.900111.9Q241 E242 L248 A249Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 2.98Å; E242-E245 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 3.41Å; E245-A249 WeakPolarHBondContact O-CB 3.45Å; E245-A249 PolarHBondContact O-N 2.89Å
246R98.1Very high97.3Very high154 Ų154114.3 Ų114.358%0.58154%0.535SS*.Hα-helixtrans-60-46174.4-73.9178.6-171.9-173.63.3112E242 I244 L248 A249 D250E242-R246 WeakPolarHBondContact O-CB 3.44Å; E242-R246 VanDerWaalsContact O-CG 3.3Å; E242-R246 WeakPolarHBondContact O-CG 3.44Å; E242-R246 PolarHBondContact O-N 3.02Å; E242-R246 IonicContact OE1-CZ 3.4Å; E242-R246 IonicContact OE1-NE 3.46Å; E242-R246 PolarHBondContact OE1-NE 3.03Å; E242-R246 IonicContact OE1-NH2 2.66Å; E242-R246 PolarHBondContact OE1-NH2 3.48Å; I244-R246 PolarHBondContact O-N 3Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 3.21Å; R246-A249 PolarHBondContact O-N 3.41Å; R246-D250 PolarHBondContact O-N 3.48Å
247L97.4Very high97.3Very high110 Ų110112.1 Ų112.158%0.57653%0.527SS*.Hα-helixtrans-61.9-38.7177.4-74.8174000112.6A243 I244 K251A243-L247 WeakPolarHBondContact O-CG 3.42Å; A243-L247 PolarHBondContact O-N 2.79Å; I244-L247 PolarHBondContact O-N 3.02Å; L247-K251 WeakPolarHBondContact O-CG 3.37Å; L247-K251 PolarHBondContact O-N 3.13Å; L247-K251 VanDerWaalsContact O-N 3.09Å
248L96.6Very high97.3Very high108 Ų108113.3 Ų113.357%0.56553%0.533SS*.Hα-helixtrans-69.1-40.3176.2-71.4172.8000111.8I244 E245 R246 K251 R252I244-L248 HydrophobicContact CG2-CD1 4.05Å; I244-L248 HydrophobicContact CG2-CG 4.5Å; I244-L248 WeakPolarHBondContact O-CG 3.35Å; I244-L248 PolarHBondContact O-N 3Å; E245-L248 PolarHBondContact O-N 3.41Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 3.21Å; L248-K251 PolarHBondContact O-N 2.94Å; L248-R252 WeakPolarHBondContact O-CB 3.42Å; L248-R252 PolarHBondContact O-N 3.1Å
249A97.5Very high97.2Very high56 Ų56112 Ų11246%0.46353%0.529SS..Hα-helixtrans-63-43.6175.400000111.8E245 R246 K251 R252 R253E245-A249 WeakPolarHBondContact O-CB 3.45Å; E245-A249 PolarHBondContact O-N 2.89Å; R246-A249 PolarHBondContact O-N 3.41Å; A249-K251 PolarHBondContact O-N 3.35Å; A249-R252 PolarHBondContact O-N 3.31Å; A249-R253 WeakPolarHBondContact O-CB 3.49Å; A249-R253 PolarHBondContact O-N 3.5Å
250D97.9Very high97.2Very high76 Ų76108.6 Ų108.641%0.40652%0.523SS..Hα-helixtrans-63.5-41.5176.7-76.5-18.7000112R246 R252 R253 R254R246-D250 PolarHBondContact O-N 3.48Å; D250-R252 VanDerWaalsContact C-N 3.35Å; D250-R253 PolarHBondContact O-N 3.47Å; D250-R254 VanDerWaalsContact O-CG 3.32Å; D250-R254 WeakPolarHBondContact O-CG 3.43Å; D250-R254 PolarHBondContact O-N 3.05Å
251K95.3Very high97.2Very high146 Ų146107.5 Ų107.564%0.63552%0.518SS*.Hα-helixtrans-61.3-44174.4-78-179.1178-173.90111.8L247 L248 A249 R254 A255L247-K251 WeakPolarHBondContact O-CG 3.37Å; L247-K251 PolarHBondContact O-N 3.13Å; L247-K251 VanDerWaalsContact O-N 3.09Å; L248-K251 PolarHBondContact O-N 2.94Å; A249-K251 PolarHBondContact O-N 3.35Å; K251-R254 PolarHBondContact O-N 2.92Å; K251-A255 PolarHBondContact O-N 3.41Å
252R96.2Very high97.2Very high178 Ų178107.6 Ų107.667%0.67252%0.519SS*.Hα-helixtrans-62.6-46.6176.9-178.2177.4176.7164.94.6111.5L248 A249 D250 R254 A255 E256L248-R252 WeakPolarHBondContact O-CB 3.42Å; L248-R252 PolarHBondContact O-N 3.1Å; A249-R252 PolarHBondContact O-N 3.31Å; D250-R252 VanDerWaalsContact C-N 3.35Å; R252-R254 VanDerWaalsContact C-N 3.35Å; R252-R254 PolarHBondContact O-N 3.15Å; R252-A255 WeakPolarHBondContact O-CB 3.45Å; R252-A255 PolarHBondContact O-N 2.87Å; R252-E256 WeakPolarHBondContact CG-OE1 3.29Å; R252-E256 IonicContact CZ-OE1 3.79Å; R252-E256 IonicContact NE-OE1 3.63Å; R252-E256 PolarHBondContact NE-OE1 3.45Å; R252-E256 IonicContact NH2-OE1 2.9Å; R252-E256 WeakPolarHBondContact O-CG 3.3Å; R252-E256 PolarHBondContact O-N 3.17Å
253R97.5Very high97.1Very high160 Ų160107.7 Ų107.760%0.60452%0.521SS*.Hα-helixtrans-58.7-44.6176.8-177.8-178.6170.6168.14.6112A249 D250 A255 E256 E257A249-R253 WeakPolarHBondContact O-CB 3.49Å; A249-R253 PolarHBondContact O-N 3.5Å; D250-R253 PolarHBondContact O-N 3.47Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A255 PolarHBondContact O-N 3.18Å; R253-E256 PolarHBondContact O-N 3.18Å; R253-E257 IonicContact CZ-OE1 3.04Å; R253-E257 IonicContact NE-OE1 3.78Å; R253-E257 PolarHBondContact NE-OE1 3.07Å; R253-E257 IonicContact NH2-OE1 3.81Å; R253-E257 WeakPolarHBondContact O-CG 3.36Å; R253-E257 PolarHBondContact O-N 3.36Å
254R97.7Very high97.1Very high164 Ų164113.8 Ų113.862%0.61953%0.534SS*.Hα-helixtrans-62.6-39.8176.5-71.9176.7-167.1172.25.2112.1D250 K251 R252 E257 L258D250-R254 VanDerWaalsContact O-CG 3.32Å; D250-R254 WeakPolarHBondContact O-CG 3.43Å; D250-R254 PolarHBondContact O-N 3.05Å; K251-R254 PolarHBondContact O-N 2.92Å; R252-R254 VanDerWaalsContact C-N 3.35Å; R252-R254 PolarHBondContact O-N 3.15Å; R254-E257 PolarHBondContact O-N 2.79Å; R254-L258 WeakPolarHBondContact O-CG 3.48Å; R254-L258 PolarHBondContact O-N 3.34Å
255A97Very high97.1Very high43 Ų43113.8 Ų113.836%0.35553%0.531SS..Hα-helixtrans-63.3-47175.900000111.6K251 R252 R253 E257 L258 E259K251-A255 PolarHBondContact O-N 3.41Å; R252-A255 WeakPolarHBondContact O-CB 3.45Å; R252-A255 PolarHBondContact O-N 2.87Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A255 PolarHBondContact O-N 3.18Å; A255-E257 VanDerWaalsContact C-N 3.31Å; A255-E257 PolarHBondContact O-N 3.2Å; A255-L258 PolarHBondContact O-N 3.44Å; A255-L258 VanDerWaalsContact O-N 3.15Å; A255-E259 WeakPolarHBondContact O-CG 3.5Å; A255-E259 PolarHBondContact O-N 3.45Å
256E97Very high97.1Very high95 Ų95112.2 Ų112.244%0.44453%0.526SS..Hα-helixtrans-61.2-37.7176.9-69.5170.8-172.400111.9R252 R253 A260R252-E256 WeakPolarHBondContact CG-OE1 3.29Å; R252-E256 IonicContact CZ-OE1 3.79Å; R252-E256 IonicContact NE-OE1 3.63Å; R252-E256 PolarHBondContact NE-OE1 3.45Å; R252-E256 IonicContact NH2-OE1 2.9Å; R252-E256 WeakPolarHBondContact O-CG 3.3Å; R252-E256 PolarHBondContact O-N 3.17Å; R253-E256 PolarHBondContact O-N 3.18Å; E256-A260 VanDerWaalsContact O-CB 3.29Å; E256-A260 WeakPolarHBondContact O-CB 3.19Å; E256-A260 PolarHBondContact O-N 3.27Å
257E98Very high96.9Very high85 Ų85112.9 Ų112.940%0.39753%0.529SS..Hα-helixtrans-67.3-36174.9-74.7176-165.500113.1R253 R254 A255 K261R253-E257 IonicContact CZ-OE1 3.04Å; R253-E257 IonicContact NE-OE1 3.78Å; R253-E257 PolarHBondContact NE-OE1 3.07Å; R253-E257 IonicContact NH2-OE1 3.81Å; R253-E257 WeakPolarHBondContact O-CG 3.36Å; R253-E257 PolarHBondContact O-N 3.36Å; R254-E257 PolarHBondContact O-N 2.79Å; A255-E257 VanDerWaalsContact C-N 3.31Å; A255-E257 PolarHBondContact O-N 3.2Å; E257-K261 VanDerWaalsContact O-CG 3.3Å; E257-K261 WeakPolarHBondContact O-CG 3.34Å; E257-K261 PolarHBondContact O-N 3.49Å; E257-K261 VanDerWaalsContact O-N 3.16Å
258L97.6Very high96.8Very high101 Ų101115.1 Ų115.153%0.52953%0.534SS..Hα-helixtrans-69.5-47.1175.1-70.8172.8000111.1R254 A255 A260 K261 E262R254-L258 WeakPolarHBondContact O-CG 3.48Å; R254-L258 PolarHBondContact O-N 3.34Å; A255-L258 PolarHBondContact O-N 3.44Å; A255-L258 VanDerWaalsContact O-N 3.15Å; L258-A260 VanDerWaalsContact C-N 3.3Å; L258-A260 PolarHBondContact O-N 3.03Å; L258-K261 WeakPolarHBondContact O-CB 3.35Å; L258-K261 PolarHBondContact O-N 3.07Å; L258-K261 VanDerWaalsContact O-N 3.1Å; L258-E262 WeakPolarHBondContact O-CG 3.42Å; L258-E262 PolarHBondContact O-N 3.17Å
259E95.8Very high96.6Very high114 Ų114119.5 Ų119.553%0.53354%0.543SS..Hα-helixtrans-58.8-41.6175.5-70.5177.5-172.800111.4A255 K261 E262 I263A255-E259 WeakPolarHBondContact O-CG 3.5Å; A255-E259 PolarHBondContact O-N 3.45Å; E259-K261 VanDerWaalsContact C-N 3.33Å; E259-K261 PolarHBondContact O-N 3.3Å; E259-E262 PolarHBondContact O-N 2.86Å; E259-I263 VanDerWaalsContact O-CG1 3.29Å; E259-I263 WeakPolarHBondContact O-CG1 3.45Å; E259-I263 PolarHBondContact O-N 3.32Å
260A97.7Very high96.4Very high57 Ų57121.1 Ų121.147%0.47155%0.547SS..Hα-helixtrans-64-35.5176.600000113E256 L258 R264E256-A260 VanDerWaalsContact O-CB 3.29Å; E256-A260 WeakPolarHBondContact O-CB 3.19Å; E256-A260 PolarHBondContact O-N 3.27Å; L258-A260 VanDerWaalsContact C-N 3.3Å; L258-A260 PolarHBondContact O-N 3.03Å; A260-R264 WeakPolarHBondContact O-CB 3.35Å; A260-R264 PolarHBondContact O-N 3.45Å
261K98Very high96.1Very high124 Ų124122.1 Ų122.154%0.53956%0.556SS.*Hα-helixtrans-67.6-45.1174.4-74.2169.6-175174.50111.1E257 L258 E259 I263 R264 E265E257-K261 VanDerWaalsContact O-CG 3.3Å; E257-K261 WeakPolarHBondContact O-CG 3.34Å; E257-K261 PolarHBondContact O-N 3.49Å; E257-K261 VanDerWaalsContact O-N 3.16Å; L258-K261 WeakPolarHBondContact O-CB 3.35Å; L258-K261 PolarHBondContact O-N 3.07Å; L258-K261 VanDerWaalsContact O-N 3.1Å; E259-K261 VanDerWaalsContact C-N 3.33Å; E259-K261 PolarHBondContact O-N 3.3Å; K261-I263 PolarHBondContact O-N 2.94Å; K261-R264 WeakPolarHBondContact O-CB 3.39Å; K261-R264 PolarHBondContact O-N 3.03Å; K261-E265 PolarHBondContact O-N 3.3Å
262E97.7Very high95.7Very high122 Ų122122.9 Ų122.957%0.5757%0.565SS**Hα-helixtrans-60.1-46.9176.7-70.3178.8-173.700111.6L258 E259 R264 E265 I266L258-E262 WeakPolarHBondContact O-CG 3.42Å; L258-E262 PolarHBondContact O-N 3.17Å; E259-E262 PolarHBondContact O-N 2.86Å; E262-R264 VanDerWaalsContact C-N 3.28Å; E262-R264 PolarHBondContact O-N 3.05Å; E262-E265 PolarHBondContact O-N 3.2Å; E262-E265 VanDerWaalsContact O-N 3.13Å; E262-I266 WeakPolarHBondContact O-CG1 3.29Å; E262-I266 PolarHBondContact O-N 3.5Å
263I95.7Very high95.2Very high85 Ų85124.7 Ų124.744%0.43657%0.572SS.*Hα-helixtrans-60.5-40176.3-68.4167.9000110.9E259 K261 I266 R267E259-I263 VanDerWaalsContact O-CG1 3.29Å; E259-I263 WeakPolarHBondContact O-CG1 3.45Å; E259-I263 PolarHBondContact O-N 3.32Å; K261-I263 PolarHBondContact O-N 2.94Å; I263-I266 PolarHBondContact O-N 3.44Å; I263-R267 HydrophobicContact CG2-CG 4.5Å; I263-R267 WeakPolarHBondContact O-CB 3.44Å; I263-R267 VanDerWaalsContact O-CG 3.27Å; I263-R267 WeakPolarHBondContact O-CG 3.44Å; I263-R267 PolarHBondContact O-N 3.14Å
264R97.1Very high94.6Very high177 Ų177121.6 Ų121.667%0.66858%0.58SS**Hα-helixtrans-64.3-39.5176.6-178.3-178.9-86-170.2-5.5111.5A260 K261 E262 K268A260-R264 WeakPolarHBondContact O-CB 3.35Å; A260-R264 PolarHBondContact O-N 3.45Å; K261-R264 WeakPolarHBondContact O-CB 3.39Å; K261-R264 PolarHBondContact O-N 3.03Å; E262-R264 VanDerWaalsContact C-N 3.28Å; E262-R264 PolarHBondContact O-N 3.05Å; R264-K268 WeakPolarHBondContact O-CG 3.27Å; R264-K268 PolarHBondContact O-N 2.92Å
265E96.8Very high93.8Very high101 Ų101122 Ų12247%0.47259%0.589SS.*Hα-helixtrans-68.3-42.9176.1-72.4-169.6-175.100112.8K261 E262 R267 K268 R269K261-E265 PolarHBondContact O-N 3.3Å; E262-E265 PolarHBondContact O-N 3.2Å; E262-E265 VanDerWaalsContact O-N 3.13Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 3.35Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 PolarHBondContact O-N 3.43Å; E265-R269 WeakPolarHBondContact O-CG 3.47Å; E265-R269 PolarHBondContact O-N 3.08Å; E265-R269 VanDerWaalsContact O-N 3.07Å; E265-R269 IonicContact OE2-NH2 3.86Å
266I95.9Very high93.1Very high100 Ų100125.4 Ų125.451%0.51361%0.608SS.*Hα-helixtrans-57.4-49.1174-67.5166.5000109.3E262 I263 K268 R269 T270E262-I266 WeakPolarHBondContact O-CG1 3.29Å; E262-I266 PolarHBondContact O-N 3.5Å; I263-I266 PolarHBondContact O-N 3.44Å; I266-K268 VanDerWaalsContact C-N 3.3Å; I266-K268 PolarHBondContact O-N 3.39Å; I266-R269 PolarHBondContact O-N 3.49Å; I266-T270 HydrophobicContact CG2-CG2 3.95Å; I266-T270 WeakPolarHBondContact O-CG2 3.36Å; I266-T270 PolarHBondContact O-N 3.47Å; I266-T270 PolarHBondContact O-OG1 3.29Å; I266-T270 VanDerWaalsContact O-OG1 3.05Å
267R95.7Very high92.2Very high169 Ų169127.8 Ų127.864%0.63862%0.622SS**Hα-helixtrans-56.7-41.5177-74.7176.1-177.2-175.83112.5I263 E265 R269 T270 V271I263-R267 HydrophobicContact CG2-CG 4.5Å; I263-R267 WeakPolarHBondContact O-CB 3.44Å; I263-R267 VanDerWaalsContact O-CG 3.27Å; I263-R267 WeakPolarHBondContact O-CG 3.44Å; I263-R267 PolarHBondContact O-N 3.14Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 3.35Å; R267-R269 VanDerWaalsContact C-N 3.31Å; R267-R269 PolarHBondContact O-N 3.44Å; R267-T270 WeakPolarHBondContact CA-OG1 3.48Å; R267-T270 PolarHBondContact O-N 3.43Å; R267-T270 PolarHBondContact O-OG1 2.87Å; R267-V271 WeakPolarHBondContact O-CG2 3.19Å; R267-V271 PolarHBondContact O-N 3.04Å; R267-V271 VanDerWaalsContact O-N 3.14Å
268K94.9Very high91Very high156 Ų156131.7 Ų131.768%0.67865%0.645SS**Hα-helixtrans-61.9-38.3176.2-74.8175.7179.7-177.60112.4R264 E265 I266R264-K268 WeakPolarHBondContact O-CG 3.27Å; R264-K268 PolarHBondContact O-N 2.92Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 PolarHBondContact O-N 3.43Å; I266-K268 VanDerWaalsContact C-N 3.3Å; I266-K268 PolarHBondContact O-N 3.39Å
269R92.6Very high89.5Confident200 Ų200130.2 Ų130.276%0.75564%0.642SS**Hα-helixtrans-78.2-31.6179.8-65.1179.3-169.4167.48.6112.7E265 I266 R267E265-R269 WeakPolarHBondContact O-CG 3.47Å; E265-R269 PolarHBondContact O-N 3.08Å; E265-R269 VanDerWaalsContact O-N 3.07Å; E265-R269 IonicContact OE2-NH2 3.86Å; I266-R269 PolarHBondContact O-N 3.49Å; R267-R269 VanDerWaalsContact C-N 3.31Å; R267-R269 PolarHBondContact O-N 3.44Å
270T93.3Very high88.4Confident90 Ų90133.8 Ų133.855%0.55266%0.659SS**Hα-helixtrans-86.4-18.3-176.556.50000114.2I266 R267 I272I266-T270 HydrophobicContact CG2-CG2 3.95Å; I266-T270 WeakPolarHBondContact O-CG2 3.36Å; I266-T270 PolarHBondContact O-N 3.47Å; I266-T270 PolarHBondContact O-OG1 3.29Å; I266-T270 VanDerWaalsContact O-OG1 3.05Å; R267-T270 WeakPolarHBondContact CA-OG1 3.48Å; R267-T270 PolarHBondContact O-N 3.43Å; R267-T270 PolarHBondContact O-OG1 2.87Å; T270-I272 PolarHBondContact O-N 3.01Å
271V91.2Very high86.9Confident97 Ų97137.3 Ų137.359%0.58867%0.669SS**  trans-68.698.3175.3171.90000108.7R267 R273R267-V271 WeakPolarHBondContact O-CG2 3.19Å; R267-V271 PolarHBondContact O-N 3.04Å; R267-V271 VanDerWaalsContact O-N 3.14Å; V271-R273 PolarHBondContact O-N 3.23Å
272I86.7Confident85.7Confident162 Ų162136.3 Ų136.383%0.83168%0.675SS**  trans-63.9106.5172.3-56.7171.8000107T270 A274T270-I272 PolarHBondContact O-N 3.01Å; I272-A274 PolarHBondContact O-N 2.91Å
273R85.9Confident84.4Confident216 Ų216136.4 Ų136.482%0.81569%0.686SS**PPolyproline II helixtrans-76.1122.1165.9-68.1-171.9175.6-173-2.1106.7V271 Q275V271-R273 PolarHBondContact O-N 3.23Å; R273-Q275 PolarHBondContact O-N 3.35Å
274A84.4Confident83.2Confident95 Ų95143.7 Ų143.779%0.78571%0.708SS**PPolyproline II helixtrans-52.7117.8168.100000107.1I272I272-A274 PolarHBondContact O-N 2.91Å
275Q81.9Confident81.8Confident172 Ų172146.6 Ų146.680%0.80472%0.72SS**PPolyproline II helixtrans-60.7139.5170-67-164.9-4.600106.8R273 I277R273-Q275 PolarHBondContact O-N 3.35Å; Q275-I277 PolarHBondContact O-N 3.46Å
276P82.2Confident80.4Confident116 Ų116150.8 Ų150.875%0.75374%0.739SS**PPolyproline II helixtrans-53117.4173.123.3-31.4000106.2L278P276-L278 PolarHBondContact O-N 2.9Å
277I77.6Confident79Confident144 Ų144155.3 Ų155.374%0.73876%0.755SS**  trans-60.7113.2173.7-53.3174.6000103.3Q275 C279Q275-I277 PolarHBondContact O-N 3.46Å; I277-C279 WeakPolarHBondContact CG2-SG 3.34Å; I277-C279 PolarHBondContact O-N 2.93Å
278L71.6Confident77.2Confident167 Ų167156.7 Ų156.787%0.87477%0.766SS**  trans-66.574.1165.5-78.1167.6000105.6P276 E280P276-L278 PolarHBondContact O-N 2.9Å; L278-E280 PolarHBondContact O-N 2.7Å
279C66.3Low75.4Confident70 Ų70153 Ų15347%0.47377%0.771SS.*  trans-70.393170-77.50000105.1I277 L281I277-C279 WeakPolarHBondContact CG2-SG 3.34Å; I277-C279 PolarHBondContact O-N 2.93Å; C279-L281 HydrophobicContact CB-CB 4.02Å; C279-L281 HydrophobicContact CB-CD1 3.96Å; C279-L281 HydrophobicContact CB-CG 3.95Å; C279-L281 PolarHBondContact O-N 2.94Å; C279-L281 VanDerWaalsContact SG-CD1 3.6Å
280E72.9Confident73.8Confident190 Ų190147.3 Ų147.389%0.88877%0.767SS**  trans-66.327.5148.9-61.2-168.3177.100110.8L278 P282L278-E280 PolarHBondContact O-N 2.7Å; E280-P282 WeakPolarHBondContact O-CD 3.41Å
281L67.4Low72.2Confident131 Ų131150.4 Ų150.469%0.68678%0.781SS**  trans-67.7121.7171.8-72.1171.7000106.1C279C279-L281 HydrophobicContact CB-CB 4.02Å; C279-L281 HydrophobicContact CB-CD1 3.96Å; C279-L281 HydrophobicContact CB-CG 3.95Å; C279-L281 PolarHBondContact O-N 2.94Å; C279-L281 VanDerWaalsContact SG-CD1 3.6Å
282P71.9Confident70.8Confident102 Ų102153.8 Ų153.866%0.66279%0.792SS**  trans-54.8147.4-179.622.3-32.7000109.3E280 R284E280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-R284 PolarHBondContact O-N 3.14Å
283P69.9Low69.8Low124 Ų124151.4 Ų151.481%0.80579%0.787SS**  trans-44.6115-176-27.632.1000110.1R285P283-R285 PolarHBondContact O-N 2.95Å
284R70.4Confident68.5Low238 Ų238149.8 Ų149.890%0.89879%0.788SS**  trans-51.7109.6-179-173.5175.5-176.2171.90.7106.8P282 Q286P282-R284 PolarHBondContact O-N 3.14Å; R284-Q286 PolarHBondContact O-N 2.97Å
285R68.6Low67.5Low239 Ų239151 Ų15190%0.90279%0.786SS**  trans-47.1112.5176.5-79.2-179.3159.5-173.3-5.5106.5P283 K287P283-R285 PolarHBondContact O-N 2.95Å; R285-K287 PolarHBondContact O-N 3.38Å
286Q68Low66.8Low188 Ų188148.1 Ų148.188%0.87978%0.782SS**  trans-55.9109.4176.6-67.1-173.55.100106R284 K288R284-Q286 PolarHBondContact O-N 2.97Å; Q286-K288 PolarHBondContact O-N 2.88Å
287K65.9Low65.9Low195 Ų195150.6 Ų150.685%0.84879%0.788SS**  trans-71.692174.6-152.8-179.8-174.6-172.90105R285 G289R285-K287 PolarHBondContact O-N 3.38Å; K287-G289 PolarHBondContact O-N 2.89Å
288K56.9Low65.4Low199 Ų199148.6 Ų148.687%0.86579%0.787SS**  trans-56.3119.5176.1-158176.1-173.6-178.60107.1Q286Q286-K288 PolarHBondContact O-N 2.88Å
289G57.1Low64.9Low77 Ų77145.9 Ų145.979%0.79478%0.78SS**  trans44.892.1161.900000116.2K287K287-G289 PolarHBondContact O-N 2.89Å
290A59.5Low64.5Low81 Ų81149 Ų14967%0.66979%0.791SS**  trans-140.393149.600000106.4M292A290-M292 PolarHBondContact O-N 2.84Å
291D60.8Low63.8Low156 Ų156146.3 Ų146.383%0.83478%0.783SS**  trans2397.6155-59.9-31.1000115.2P293D291-P293 WeakPolarHBondContact O-CD 3.17Å; D291-P293 VanDerWaalsContact O-N 3.13Å
292M61.7Low63.3Low168 Ų168149.8 Ų149.883%0.82879%0.793SS**  trans-52.5112.9161.6-75-80.8-72.700108.4A290 H294A290-M292 PolarHBondContact O-N 2.84Å; M292-H294 PolarHBondContact O-N 3.23Å
293P64.4Low62.3Low111 Ų111152.7 Ų152.772%0.72180%0.797SS**  trans-66.1114164.327.7-29.8000106.4D291 T295D291-P293 WeakPolarHBondContact O-CD 3.17Å; D291-P293 VanDerWaalsContact O-N 3.13Å; P293-T295 PolarHBondContact O-N 2.95Å
294H59.7Low61.8Low182 Ų182158.8 Ų158.884%0.84380%0.804SS**  trans-38.4109.5169.3-112-77.7000109M292 P296M292-H294 PolarHBondContact O-N 3.23Å; H294-P296 WeakPolarHBondContact O-CD 3.09Å
295T63.8Low61.7Low120 Ų120159 Ų15974%0.73682%0.816SS**  trans-69.6112.7167.5-25.30000105.1P293 L297P293-T295 PolarHBondContact O-N 2.95Å; T295-L297 PolarHBondContact O-N 2.82Å
296P66.1Low61.3Low113 Ų113155.1 Ų155.173%0.73481%0.812SS**  trans-64.1126.9-178.825.7-31.7000108.1H294 S298H294-P296 WeakPolarHBondContact O-CD 3.09Å; P296-S298 PolarHBondContact O-N 3.26Å
297L64.3Low61Low168 Ų168153.3 Ų153.388%0.8881%0.808SS**  trans-47.4108.6168.5-75.3151.8000107.8T295 P299T295-L297 PolarHBondContact O-N 2.82Å; L297-P299 WeakPolarHBondContact O-CD 3.13Å
298S65.3Low60.7Low101 Ų101151 Ų15171%0.70681%0.806SS**  trans-68.3110172-1710000107.3P296 N300P296-S298 PolarHBondContact O-N 3.26Å; S298-N300 PolarHBondContact O-N 3.47Å
299P62.1Low60.9Low111 Ų111148.2 Ų148.272%0.72180%0.802SS**  trans-90.398.8175.827.8-11.5000105.9L297L297-P299 WeakPolarHBondContact O-CD 3.13Å
300N58.5Low61.1Low134 Ų134152.6 Ų152.672%0.71780%0.803SS**  trans-133.385.1169.2-103.5-24.6000110.8S298S298-N300 PolarHBondContact O-N 3.47Å
301N56.6Low61.2Low134 Ų134157.4 Ų157.472%0.71781%0.812SS**  59.990.2120.8-65.3-34.8000116.4H303N301-H303 PolarHBondContact O-N 3.05Å; N301-H303 VanDerWaalsContact O-N 3.14Å
302F57.3Low61.3Low205 Ų205157.5 Ų157.590%0.89981%0.81SS**  trans-37107.6131-78.4-96.7000110.5
303H51.9Low61.2Low162 Ų162156.7 Ų156.775%0.7581%0.809SS**  trans-172.3101.2144.3-108.355.8000108.8N301N301-H303 PolarHBondContact O-N 3.05Å; N301-H303 VanDerWaalsContact O-N 3.14Å
304R59Low61Low252 Ų252160.5 Ų160.595%0.95182%0.816SS**  trans-146.696.3147.8-126.4-179.9-169.8-174.92.5107
305E67.4Low61.1Low244 Ų244158.5 Ų158.5100%1.1481%0.814SS**  trans-54.30159.6-63.2-180150.600111

Retrieved 305 of 305 residues in 103 ms (Link to these results)