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Troponin T, cardiac muscle

Troponin T is the tropomyosin-binding subunit of troponin, the thin filament regulatory complex which confers calcium-sensitivity to striated muscle actomyosin ATPase activity.

AlphaFold DB , UniProt , Accession A0A087WRX3, Species MOUSE (Mus musculus, Mouse), Gene Tnnt2, Length 206 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
1M49.7Very low61Low233 Ų233122.2 Ų122.2100%1.14863%0.633SS**  0110.10-74.2147164.100104.5
2S52.5Low61.3Low74 Ų74119.3 Ų119.352%0.51762%0.615SS.*  trans-90.1139.6-173.937.90000109A4 E5S2-A4 PolarHBondContact O-N 2.81Å; S2-E5 PolarHBondContact O-N 3.02Å
3D61.5Low61.8Low135 Ų135121.1 Ų121.172%0.72262%0.619SS**Hα-helixtrans-39.8-27.5175.2-90.8-29.9000114.9V7D3-V7 VanDerWaalsContact O-CG2 3.27Å; D3-V7 WeakPolarHBondContact O-CG2 3.46Å; D3-V7 PolarHBondContact O-N 3.34Å
4A58.2Low62.2Low70 Ų70121.2 Ų121.258%0.57962%0.615SS**Hα-helixtrans-74.4-21.6179.700000114.9S2 V8S2-A4 PolarHBondContact O-N 2.81Å; A4-V8 VanDerWaalsContact O-CG2 3.29Å; A4-V8 WeakPolarHBondContact O-CG2 3.48Å
5E58.2Low62.5Low124 Ų124121.5 Ų121.558%0.57961%0.613SS**Hα-helixtrans-80.5-38.9174.1-78.3177.6153.400110.9S2 V8 E9S2-E5 PolarHBondContact O-N 3.02Å; E5-V8 PolarHBondContact O-N 2.94Å; E5-E9 PolarHBondContact O-N 3.41Å
6E61Low62.5Low130 Ų130120.4 Ų120.461%0.60761%0.606SS**Hα-helixtrans-66-38.9179.3-169.2170-179.900111.8V8 E9 E10E6-V8 VanDerWaalsContact C-N 3.29Å; E6-V8 PolarHBondContact O-N 3.38Å; E6-E9 PolarHBondContact O-N 2.78Å; E6-E10 PolarHBondContact O-N 2.68Å
7V61.9Low62.7Low86 Ų86121.5 Ų121.552%0.52161%0.608SS.*Hα-helixtrans-69.5-25175.61730000112.8D3 Y11D3-V7 VanDerWaalsContact O-CG2 3.27Å; D3-V7 WeakPolarHBondContact O-CG2 3.46Å; D3-V7 PolarHBondContact O-N 3.34Å; V7-Y11 WeakPolarHBondContact O-CB 3.45Å; V7-Y11 PolarHBondContact O-N 3.02Å
8V65.6Low63Low78 Ų78117.6 Ų117.647%0.47360%0.598SS.*Hα-helixtrans-80.6-39175.6171.40000110.5A4 E5 E6 Y11 E12A4-V8 VanDerWaalsContact O-CG2 3.29Å; A4-V8 WeakPolarHBondContact O-CG2 3.48Å; E5-V8 PolarHBondContact O-N 2.94Å; E6-V8 VanDerWaalsContact C-N 3.29Å; E6-V8 PolarHBondContact O-N 3.38Å; V8-Y11 PolarHBondContact O-N 3.02Å; V8-E12 WeakPolarHBondContact O-CB 3.35Å; V8-E12 WeakPolarHBondContact O-CG 3.23Å; V8-E12 PolarHBondContact O-N 3.06Å
9E66.4Low63.3Low135 Ų135115.2 Ų115.263%0.63159%0.589SS**Hα-helixtrans-60.3-45.4173.2-114172.9171.300111.6E5 E6 Y11 E12 E13E5-E9 PolarHBondContact O-N 3.41Å; E6-E9 PolarHBondContact O-N 2.78Å; E9-Y11 VanDerWaalsContact C-N 3.34Å; E9-Y11 PolarHBondContact O-N 3.18Å; E9-E12 PolarHBondContact O-N 3.34Å; E9-E13 PolarHBondContact O-N 2.76Å
10E69.2Low63.5Low126 Ų126115.4 Ų115.459%0.58959%0.587SS**Hα-helixtrans-65.1-36.2-179.9-162176.7-154.700112.2E6 E14E6-E10 PolarHBondContact O-N 2.68Å; E10-E14 PolarHBondContact O-N 3.08Å
11Y67.1Low63.6Low153 Ų153117 Ų11760%0.659%0.593SS**Hα-helixtrans-76.4-22.9176.6-132-84.4000113.4V7 V8 E9 Q15V7-Y11 WeakPolarHBondContact O-CB 3.45Å; V7-Y11 PolarHBondContact O-N 3.02Å; V8-Y11 PolarHBondContact O-N 3.02Å; E9-Y11 VanDerWaalsContact C-N 3.34Å; E9-Y11 PolarHBondContact O-N 3.18Å; Y11-Q15 PolarHBondContact O-N 3.45Å
12E64.7Low64.3Low88 Ų88112.3 Ų112.341%0.41157%0.568SS.*Hα-helixtrans-79.9-41172.3-77.7-178.8168.300110.2V8 E9 Q15 E16V8-E12 WeakPolarHBondContact O-CB 3.35Å; V8-E12 WeakPolarHBondContact O-CG 3.23Å; V8-E12 PolarHBondContact O-N 3.06Å; E9-E12 PolarHBondContact O-N 3.34Å; E12-Q15 PolarHBondContact O-N 2.89Å; E12-E16 WeakPolarHBondContact O-CG 3.47Å; E12-E16 PolarHBondContact O-N 2.81Å
13E67.9Low65.1Low142 Ų142111.5 Ų111.566%0.66456%0.558SS**Hα-helixtrans-61-45.8171.9-88.5-174.6158.300112.1E9 Q15 E16 E17E9-E13 PolarHBondContact O-N 2.76Å; E13-Q15 PolarHBondContact O-N 3.05Å; E13-E16 PolarHBondContact O-N 3.01Å; E13-E17 WeakPolarHBondContact O-CB 3.48Å; E13-E17 PolarHBondContact O-N 3.22Å
14E66.4Low65.4Low123 Ų123112.2 Ų112.258%0.57555%0.551SS**Hα-helixtrans-61-32.2175.3-88.7-172.5155.500112.6E10 A18E10-E14 PolarHBondContact O-N 3.08Å; E14-A18 VanDerWaalsContact O-CB 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.46Å; E14-A18 PolarHBondContact O-N 3.24Å; E14-A18 VanDerWaalsContact O-N 3.08Å
15Q67.8Low65.6Low125 Ų125112 Ų11258%0.58455%0.545SS*.Hα-helixtrans-75.4-37.2175.6-103-179.293.700112.5Y11 E12 E13 V19Y11-Q15 PolarHBondContact O-N 3.45Å; E12-Q15 PolarHBondContact O-N 2.89Å; E13-Q15 PolarHBondContact O-N 3.05Å; Q15-V19 VanDerWaalsContact O-CG2 3.25Å; Q15-V19 WeakPolarHBondContact O-CG2 3.49Å; Q15-V19 PolarHBondContact O-N 3.01Å; Q15-V19 VanDerWaalsContact O-N 3.13Å
16E62.8Low66.1Low105 Ų105111.2 Ų111.249%0.49154%0.541SS..Hα-helixtrans-66.4-42.6174.4-73.2-174.3-159.600110.8E12 E13 V19 E20 R173E12-E16 WeakPolarHBondContact O-CG 3.47Å; E12-E16 PolarHBondContact O-N 2.81Å; E13-E16 PolarHBondContact O-N 3.01Å; E16-V19 PolarHBondContact O-N 3.5Å; E16-E20 WeakPolarHBondContact O-CB 3.38Å; E16-E20 PolarHBondContact O-N 2.94Å; E16-R173 IonicContact OE1-CZ 2.97Å; E16-R173 IonicContact OE1-NH2 2.69Å; E16-R173 PolarHBondContact OE1-NH2 3.44Å; E16-R173 IonicContact OE2-NH2 2.64Å; E16-R173 PolarHBondContact OE2-NH2 3.01Å
17E65.5Low66.5Low138 Ų138110.2 Ų110.265%0.64554%0.536SS*.Hα-helixtrans-64.6-41177.1-162.2175.5-156.200111.4E13 V19 E20 E21E13-E17 WeakPolarHBondContact O-CB 3.48Å; E13-E17 PolarHBondContact O-N 3.22Å; E17-V19 PolarHBondContact O-N 3.49Å; E17-E20 PolarHBondContact O-N 3Å; E17-E21 WeakPolarHBondContact O-CB 3.25Å; E17-E21 PolarHBondContact O-N 3.14Å
18A68.2Low67Low51 Ų51111.8 Ų111.842%0.42154%0.538SS..Hα-helixtrans-65.7-34.4176.100000113.5E14 E22E14-A18 VanDerWaalsContact O-CB 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.46Å; E14-A18 PolarHBondContact O-N 3.24Å; E14-A18 VanDerWaalsContact O-N 3.08Å; A18-E22 PolarHBondContact O-N 2.95Å; A18-E22 VanDerWaalsContact O-N 3.13Å
19V68.9Low67.3Low72 Ų72114.5 Ų114.544%0.43655%0.546SS..Hα-helixtrans-73.6-37.9176.1171.20000110.8Q15 E16 E17 E22 D23Q15-V19 VanDerWaalsContact O-CG2 3.25Å; Q15-V19 WeakPolarHBondContact O-CG2 3.49Å; Q15-V19 PolarHBondContact O-N 3.01Å; Q15-V19 VanDerWaalsContact O-N 3.13Å; E16-V19 PolarHBondContact O-N 3.5Å; E17-V19 PolarHBondContact O-N 3.49Å; V19-E22 PolarHBondContact O-N 3.2Å; V19-D23 WeakPolarHBondContact O-CB 3.44Å; V19-D23 PolarHBondContact O-N 2.93Å; V19-D23 VanDerWaalsContact O-N 3.08Å
20E67Low67.3Low119 Ų119111.3 Ų111.356%0.55653%0.533SS*.Hα-helixtrans-65.3-41174.2-154.7176.2-166.600110.5E16 E17 E22 D23 W24E16-E20 WeakPolarHBondContact O-CB 3.38Å; E16-E20 PolarHBondContact O-N 2.94Å; E17-E20 PolarHBondContact O-N 3Å; E20-E22 PolarHBondContact O-N 3.48Å; E20-D23 WeakPolarHBondContact O-CB 3.27Å; E20-D23 PolarHBondContact O-N 3.38Å; E20-W24 PolarHBondContact O-N 2.69Å
21E64.9Low67.5Low150 Ų150111.9 Ų111.970%0.70154%0.536SS*.Hα-helixtrans-64.4-37.3176.7-139.1-176.1-165.500112.8E17 S25E17-E21 WeakPolarHBondContact O-CB 3.25Å; E17-E21 PolarHBondContact O-N 3.14Å; E21-S25 WeakPolarHBondContact O-CB 3.47Å; E21-S25 PolarHBondContact O-N 3.5Å; E21-S25 VanDerWaalsContact O-N 3.11Å
22E63.8Low67.6Low134 Ų134110.6 Ų110.663%0.62654%0.535SS*.Hα-helixtrans-65.5-42.7172.4-78.9-171.9166.900111.7A18 V19 E20 S25 E26A18-E22 PolarHBondContact O-N 2.95Å; A18-E22 VanDerWaalsContact O-N 3.13Å; V19-E22 PolarHBondContact O-N 3.2Å; E20-E22 PolarHBondContact O-N 3.48Å; E22-S25 PolarHBondContact O-N 3.43Å; E22-S25 VanDerWaalsContact O-N 3.15Å; E22-S25 PolarHBondContact O-OG 2.91Å; E22-E26 PolarHBondContact O-N 3.45Å
23D70.9Confident67.8Low57 Ų57113 Ų11331%0.30555%0.547SS..Hα-helixtrans-60.6-45.8177.1-169.256000111.6V19 E20 S25 E26 E27V19-D23 WeakPolarHBondContact O-CB 3.44Å; V19-D23 PolarHBondContact O-N 2.93Å; V19-D23 VanDerWaalsContact O-N 3.08Å; E20-D23 WeakPolarHBondContact O-CB 3.27Å; E20-D23 PolarHBondContact O-N 3.38Å; D23-S25 VanDerWaalsContact C-N 3.29Å; D23-S25 PolarHBondContact O-N 2.9Å; D23-E26 PolarHBondContact O-N 3.06Å; D23-E27 PolarHBondContact O-N 2.99Å; D23-E27 VanDerWaalsContact O-N 3.11Å
24W66.6Low67.9Low151 Ų151113.1 Ų113.157%0.57255%0.547SS*.Hα-helixtrans-62.2-35.3173.9-82.9103.4000112.8E20 E28E20-W24 PolarHBondContact O-N 2.69Å; W24-E28 PolarHBondContact O-N 2.89Å
25S63.4Low68.1Low65 Ų65109.9 Ų109.946%0.45554%0.541SS..Hα-helixtrans-72.4-33.8179.675.70000113E21 E22 D23 E29E21-S25 WeakPolarHBondContact O-CB 3.47Å; E21-S25 PolarHBondContact O-N 3.5Å; E21-S25 VanDerWaalsContact O-N 3.11Å; E22-S25 PolarHBondContact O-N 3.43Å; E22-S25 VanDerWaalsContact O-N 3.15Å; E22-S25 PolarHBondContact O-OG 2.91Å; D23-S25 VanDerWaalsContact C-N 3.29Å; D23-S25 PolarHBondContact O-N 2.9Å; S25-E29 PolarHBondContact O-N 3.35Å
26E67.4Low68.2Low108 Ų108108.7 Ų108.751%0.50554%0.542SS..Hα-helixtrans-73.1-37.8175.5-72.1-169.1-179.700111.4E22 D23 E29 D30E22-E26 PolarHBondContact O-N 3.45Å; D23-E26 PolarHBondContact O-N 3.06Å; E26-E29 PolarHBondContact O-N 2.94Å; E26-D30 PolarHBondContact O-N 3.38Å
27E70.1Confident67.9Low108 Ų108107.7 Ų107.751%0.50554%0.537SS..Hα-helixtrans-62.4-41.3173.1-78.9-167.815700112.5D23 D30 E31D23-E27 PolarHBondContact O-N 2.99Å; D23-E27 VanDerWaalsContact O-N 3.11Å; E27-D30 PolarHBondContact O-N 2.87Å; E27-E31 PolarHBondContact O-N 3.22Å
28E71.7Confident67.7Low119 Ų119108.7 Ų108.756%0.55654%0.542SS*.Hα-helixtrans-69.9-29.7177-76.3-142.6174.600113.5W24 Q32W24-E28 PolarHBondContact O-N 2.89Å; E28-Q32 WeakPolarHBondContact O-CB 3.29Å; E28-Q32 PolarHBondContact O-N 3.19Å; E28-Q32 VanDerWaalsContact O-N 3.16Å; E28-Q32 PolarHBondContact O-NE2 3.26Å
29E71.8Confident67.3Low135 Ų135114.2 Ų114.263%0.63156%0.559SS**Hα-helixtrans-69.1-42.4171.8-81.5-169.416900111.2S25 E26 Q32 E33S25-E29 PolarHBondContact O-N 3.35Å; E26-E29 PolarHBondContact O-N 2.94Å; E29-Q32 PolarHBondContact O-N 2.93Å; E29-E33 PolarHBondContact O-N 2.93Å
30D67.6Low67Low68 Ų68118.3 Ų118.336%0.36457%0.574SS.*Hα-helixtrans-62.4-43.2176.1-86.3-13000111.6E26 E27 Q32 E33 E34 Q155E26-D30 PolarHBondContact O-N 3.38Å; E27-D30 PolarHBondContact O-N 2.87Å; D30-Q32 VanDerWaalsContact C-N 3.33Å; D30-Q32 PolarHBondContact O-N 2.66Å; D30-E33 PolarHBondContact O-N 3.34Å; D30-E34 PolarHBondContact O-N 3.48Å; D30-Q155 PolarHBondContact OD1-NE2 3.49Å; D30-Q155 PolarHBondContact OD2-NE2 2.99Å
31E73Confident66.6Low139 Ų139116 Ų11665%0.6557%0.574SS**Hα-helixtrans-63.8-37175.5-78.2-170162.400112.3E27 A35E27-E31 PolarHBondContact O-N 3.22Å; E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 3.47Å
32Q68.3Low65.7Low126 Ų126111.6 Ų111.659%0.58957%0.569SS**Hα-helixtrans-68.1-41.1174.7-99170.588.300112.4E28 E29 D30 A35 V36E28-Q32 WeakPolarHBondContact O-CB 3.29Å; E28-Q32 PolarHBondContact O-N 3.19Å; E28-Q32 VanDerWaalsContact O-N 3.16Å; E28-Q32 PolarHBondContact O-NE2 3.26Å; E29-Q32 PolarHBondContact O-N 2.93Å; D30-Q32 VanDerWaalsContact C-N 3.33Å; D30-Q32 PolarHBondContact O-N 2.66Å; Q32-A35 PolarHBondContact O-N 3.41Å; Q32-V36 VanDerWaalsContact O-CG2 3.23Å; Q32-V36 WeakPolarHBondContact O-CG2 3.37Å; Q32-V36 PolarHBondContact O-N 2.97Å; Q32-V36 VanDerWaalsContact O-N 3.11Å
33E70.4Confident64.6Low139 Ų139108.3 Ų108.365%0.6557%0.571SS**Hα-helixtrans-64.9-39.9175.8-73.7-161168.800111.7E29 D30 V36 E37E29-E33 PolarHBondContact O-N 2.93Å; D30-E33 PolarHBondContact O-N 3.34Å; E33-V36 PolarHBondContact O-N 3.45Å; E33-E37 PolarHBondContact O-N 2.91Å; E33-E37 VanDerWaalsContact O-N 3.11Å
34E70.1Confident63.2Low144 Ų144109.7 Ų109.767%0.67359%0.591SS**Hα-helixtrans-64.9-43.8176.6-164.6-179.7-161.800111.7D30 V36 E37 E38D30-E34 PolarHBondContact O-N 3.48Å; E34-V36 VanDerWaalsContact C-N 3.31Å; E34-V36 PolarHBondContact O-N 3.24Å; E34-E37 PolarHBondContact O-N 2.87Å; E34-E38 PolarHBondContact O-N 2.8Å
35A69.4Low62Low54 Ų54110.6 Ų110.645%0.44660%0.601SS.*Hα-helixtrans-62.4-36.5177.200000112.8E31 Q32 E38 E39E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 3.47Å; Q32-A35 PolarHBondContact O-N 3.41Å; A35-E38 PolarHBondContact O-N 2.95Å; A35-E39 PolarHBondContact O-N 3.02Å
36V69.1Low61Low100 Ų100113 Ų11361%0.60662%0.615SS**Hα-helixtrans-69.8-35.4175.9173.90000111.3Q32 E33 E34 E40Q32-V36 VanDerWaalsContact O-CG2 3.23Å; Q32-V36 WeakPolarHBondContact O-CG2 3.37Å; Q32-V36 PolarHBondContact O-N 2.97Å; Q32-V36 VanDerWaalsContact O-N 3.11Å; E33-V36 PolarHBondContact O-N 3.45Å; E34-V36 VanDerWaalsContact C-N 3.31Å; E34-V36 PolarHBondContact O-N 3.24Å; V36-E40 PolarHBondContact O-N 3.18Å
37E58.6Low59.8Low85 Ų85116.1 Ų116.140%0.39763%0.63SS.*Hα-helixtrans-71.6-33.4176-153.3-178.318000111.9E33 E34 E40 A41 R148E33-E37 PolarHBondContact O-N 2.91Å; E33-E37 VanDerWaalsContact O-N 3.11Å; E34-E37 PolarHBondContact O-N 2.87Å; E37-E40 PolarHBondContact O-N 3.26Å; E37-A41 WeakPolarHBondContact O-CB 3.46Å; E37-A41 PolarHBondContact O-N 3.39Å; E37-R148 IonicContact OE1-NE 3.55Å; E37-R148 IonicContact OE1-NH2 3.79Å
38E60.2Low58.5Low159 Ų159117 Ų11774%0.74365%0.645SS**Hα-helixtrans-65.9-41.6173.4-119-164.1170.500112.2E34 A35 A41 G42E34-E38 PolarHBondContact O-N 2.8Å; A35-E38 PolarHBondContact O-N 2.95Å; E38-A41 PolarHBondContact O-N 3.14Å; E38-G42 PolarHBondContact O-N 3.23Å
39E60Low56.9Low166 Ų166120.4 Ų120.478%0.77666%0.661SS**Hα-helixtrans-66.4-41.3173.9-79.5-114.2144.400112.2A35 G42 G43A35-E39 PolarHBondContact O-N 3.02Å; E39-G42 PolarHBondContact O-N 2.99Å; E39-G43 PolarHBondContact O-N 3.46Å
40E61.7Low55.1Low159 Ų159117.6 Ų117.674%0.74367%0.669SS**Hα-helixtrans-67.3-36.6177.3-157.8-159.4170.100111.7V36 E37V36-E40 PolarHBondContact O-N 3.18Å; E37-E40 PolarHBondContact O-N 3.26Å
41A59Low53.9Low69 Ų69123.8 Ų123.857%0.5770%0.695SS**Hα-helixtrans-74.1-31.5176.100000113E37 E38E37-A41 WeakPolarHBondContact O-CB 3.46Å; E37-A41 PolarHBondContact O-N 3.39Å; E38-A41 PolarHBondContact O-N 3.14Å
42G46Very low51.9Low58 Ų58121.5 Ų121.560%0.59870%0.7SS**Hα-helixtrans-79.9-2317700000114.6E38 E39 A44E38-G42 PolarHBondContact O-N 3.23Å; E39-G42 PolarHBondContact O-N 2.99Å; G42-A44 PolarHBondContact O-N 2.96Å
43G40.6Very low50.1Low65 Ų65124.3 Ų124.367%0.6771%0.713SS**THydrogen-bonded Turntrans-73.1-3.4179.900000115.9E39 E45E39-G43 PolarHBondContact O-N 3.46Å; G43-E45 PolarHBondContact O-N 3.09Å
44A43.1Very low48.1Very low86 Ų86124.1 Ų124.171%0.71172%0.722SS**  trans-86.854.4171.900000111.4G42G42-A44 PolarHBondContact O-N 2.96Å
45E39.5Very low46.4Very low170 Ų170126.1 Ų126.179%0.79473%0.731SS**PPolyproline II helixtrans-75.1123.7165-153.8179.6-157.100107.5G43 E47G43-E45 PolarHBondContact O-N 3.09Å; E45-E47 PolarHBondContact O-N 3.3Å
46P43Very low44.8Very low115 Ų115132 Ų13275%0.74775%0.75SS**PPolyproline II helixtrans-64.8124.7172.826.8-31.4000108.1
47E41.9Very low43Very low174 Ų174131.8 Ų131.881%0.81376%0.758SS**PPolyproline II helixtrans-50.3139.2167.1-72-154.4160.200109.3E45 E49E45-E47 PolarHBondContact O-N 3.3Å; E47-E49 PolarHBondContact O-N 2.94Å
48P42.7Very low41.6Very low126 Ų126134 Ų13482%0.81877%0.773SS**  trans-61.7113.3175.625.4-32.3000108.9G50P48-G50 PolarHBondContact O-N 3.29Å
49E39.7Very low40.4Very low191 Ų191132.7 Ų132.789%0.89378%0.775SS**  trans-48.6114.9170.9-68.2-171.8165.700109.3E47 E51E47-E49 PolarHBondContact O-N 2.94Å; E49-E51 PolarHBondContact O-N 3.38Å
50G32.8Very low39.2Very low77 Ų77132.3 Ų132.379%0.79477%0.773SS**  trans-66.2115.1172.300000110.1P48 A52P48-G50 PolarHBondContact O-N 3.29Å; G50-A52 PolarHBondContact O-N 2.92Å
51E42.2Very low38.1Very low198 Ų198133.1 Ų133.193%0.92578%0.777SS**  trans-52.1125.8164.2-61.6175.3154.800111E49E49-E51 PolarHBondContact O-N 3.38Å
52A30.9Very low36.8Very low91 Ų91135.8 Ų135.875%0.75279%0.786SS**  trans-156.9104.2152.700000111.8G50G50-A52 PolarHBondContact O-N 2.92Å
53E31.3Very low36Very low184 Ų184135.8 Ų135.886%0.8679%0.786SS**  trans62.190.8144.6-68.4-178.4148.100119.7
54T29.2Very low36.1Very low135 Ų135138.7 Ų138.783%0.82879%0.793SS**  trans-78104.7140.652.40000108.9E56T54-E56 PolarHBondContact O-N 3.5Å
55E33.4Very low35.4Very low186 Ų186141 Ų14187%0.86979%0.794SS**  trans-66.797.6161.3-84-164.6145.900108.7A57E55-A57 PolarHBondContact O-N 2.89Å
56E35.5Very low35.1Very low179 Ų179141.8 Ų141.884%0.83680%0.797SS**  trans-74107.6159-83.2-138.8145.900109.1T54 N58T54-E56 PolarHBondContact O-N 3.5Å; E56-N58 VanDerWaalsContact C-N 3.34Å; E56-N58 PolarHBondContact O-N 3.5Å
57A30.9Very low34.6Very low94 Ų94144.5 Ų144.578%0.77780%0.8SS**  trans-69.292.3162.300000109.1E55 V59E55-A57 PolarHBondContact O-N 2.89Å; A57-V59 PolarHBondContact O-N 3.48Å
58N29.9Very low34.1Very low133 Ų133140.3 Ų140.371%0.71180%0.795SS**  trans-67.4107.6169.2-173.24.2000109.7E56 E60E56-N58 VanDerWaalsContact C-N 3.34Å; E56-N58 PolarHBondContact O-N 3.5Å; N58-E60 PolarHBondContact O-N 2.91Å
59V34.2Very low33.7Very low131 Ų131144.6 Ų144.679%0.79480%0.801SS**  trans-81.1100.7167.6175.40000107.4A57A57-V59 PolarHBondContact O-N 3.48Å
60E36Very low33.3Very low158 Ų158143 Ų14374%0.73880%0.799SS**  trans-92.8101.6167.8-155.2177.3-179.300109.3N58 V62N58-E60 PolarHBondContact O-N 2.91Å; E60-V62 HydrophobicContact CG-CG2 4.23Å
61E38.4Very low33.3Very low176 Ų176143.6 Ų143.682%0.82280%0.796SS**  trans-72.4113.8161.8179.2-144.5172.200108.7
62V32.6Very low33Very low124 Ų124143.3 Ų143.375%0.75279%0.794SS**  trans-140.8117.9155.3-171.70000109.5E60E60-V62 HydrophobicContact CG-CG2 4.23Å
63G27.5Very low33.1Very low58 Ų58148 Ų14860%0.59880%0.8SS**  trans-138.1174.1148.900000108.5
64P43.6Very low33Very low127 Ų127142.4 Ų142.483%0.82579%0.793SS**  cis-127.3-166.2-10.237.7-19.3000111.9
65D27.3Very low33.6Very low135 Ų135141.5 Ų141.572%0.72279%0.789SS**  trans100108.4161.5-127.1-82.1000117.6
66E33.7Very low33.5Very low185 Ų185138.9 Ų138.986%0.86479%0.785SS**  -170.1130.6114.8-92-101.4156.600110.1
67E34Very low33.6Very low173 Ų173139.2 Ų139.281%0.80879%0.787SS**  trans-78.9158.5-178.1-163.9172.8-168.800111.4
68A30.8Very low34.2Very low86 Ų86141.9 Ų141.971%0.71179%0.788SS**  trans70.4115160.400000119.4
69K34Very low34.7Very low215 Ų215142.4 Ų142.494%0.93580%0.797SS**  -160.9119.3113.7-102.7158.3-169.6174.90112.2
70D30.4Very low35.2Very low159 Ų159144.5 Ų144.585%0.8580%0.795SS**  trans-77.6162.1172.1-149.7-60.1000110.7
71A33.8Very low35.7Very low88 Ų88142.6 Ų142.673%0.72780%0.796SS**  trans68.6111.1161.100000120.7
72E34.9Very low36.6Very low192 Ų192143.1 Ų143.190%0.89780%0.796SS**  -151.6151.3127.6-152.5169.2165.600111
73E34.2Very low37.5Very low189 Ų189142.6 Ų142.688%0.88380%0.795SS**  trans-79168.7-154.2-56.5166.3156.500113.3
74G29.8Very low38.4Very low68 Ų68144.4 Ų144.470%0.70180%0.799SS**  cis176.6-148.520.400000108.6
75P41.2Very low39Very low116 Ų116150.3 Ų150.375%0.75380%0.804SS**  -116.1-174.4-102.438.2-28.8000116.4
76V31.6Very low40.1Very low130 Ų130150.7 Ų150.779%0.78881%0.806SS**  trans80137.9163.9-50.90000117
77E37.7Very low41.1Very low187 Ų187151.7 Ų151.787%0.87481%0.807SS**  cis-165.4149.532.4-142.4172.5-161.200110.4
78D42.5Very low42.3Very low149 Ų149150.8 Ų150.880%0.79781%0.805SS**  trans-64.3147175.9-80.9-68.6000114
79T40.3Very low43.5Very low145 Ų145151.4 Ų151.489%0.8980%0.802SS**  161.7124.3126.543.70000113.4
80K44Very low44.6Very low175 Ų175148.9 Ų148.976%0.76180%0.799SS**  trans-82.7158.3169.2-121.3172.8-174.2161.80109.6
81P47.8Very low46.1Very low118 Ų118147.8 Ų147.877%0.76679%0.792SS**  -146.1158.761.634.4-13.1000116.3P83P81-P83 WeakPolarHBondContact O-CD 3.29Å
82K57.4Low47.6Very low187 Ų187149.2 Ų149.281%0.81379%0.792SS**  trans-69.8136.1170.7-60.2177.9177.4-1780110.9
83P50.3Low49.2Very low113 Ų113145.1 Ų145.173%0.73478%0.781SS**  trans-116.1137156.134.4-22.9000112.8P81P81-P83 WeakPolarHBondContact O-CD 3.29Å
84S47.2Very low50.8Low96 Ų96141.5 Ų141.567%0.67177%0.774SS**  trans74.5107.9161.3790000118.4L86S84-L86 VanDerWaalsContact C-N 3.26Å; S84-L86 PolarHBondContact O-N 3.46Å
85R56.9Low52.4Low250 Ų250147.6 Ų147.694%0.94378%0.782SS**  trans-61.891.2147-65176.2-171.7123.2-0.2107.4F87R85-F87 PolarHBondContact O-N 3.27Å
86L50.3Low53.6Low143 Ų143149 Ų14975%0.74978%0.781SS**  trans-67.4117.5154.6-79.7150.8000105.9S84 M88S84-L86 VanDerWaalsContact C-N 3.26Å; S84-L86 PolarHBondContact O-N 3.46Å; L86-M88 VanDerWaalsContact C-N 3.26Å; L86-M88 PolarHBondContact O-N 3.17Å
87F53.8Low55.3Low206 Ų206148.1 Ų148.190%0.90478%0.778SS**  trans-55.492.4168.4-112.3-107.1000107.7R85 P89R85-F87 PolarHBondContact O-N 3.27Å; F87-P89 WeakPolarHBondContact O-CD 3.29Å
88M59.3Low56.4Low154 Ų154147 Ų14776%0.75978%0.778SS**  trans-71.4120.7164.5-64.4-173.282.700105.4L86 N90L86-M88 VanDerWaalsContact C-N 3.26Å; L86-M88 PolarHBondContact O-N 3.17Å; M88-N90 PolarHBondContact O-N 2.89Å
89P56.3Low57.2Low99 Ų99142.7 Ų142.764%0.64377%0.769SS**  trans-53.5139.5170.124.1-31.8000107.4F87 L91F87-P89 WeakPolarHBondContact O-CD 3.29Å; P89-L91 VanDerWaalsContact C-N 3.25Å; P89-L91 HydrophobicContact CG-CD1 4.15Å; P89-L91 WeakPolarHBondContact O-CD1 3.23Å; P89-L91 PolarHBondContact O-N 2.98Å
90N57.4Low58.5Low162 Ų162144.6 Ų144.687%0.86677%0.768SS**  trans-54.491.8175.9-73.9-26.7000109.2M88 V92M88-N90 PolarHBondContact O-N 2.89Å; N90-V92 PolarHBondContact O-N 3.5Å
91L60.4Low59.8Low136 Ų136146.9 Ų146.971%0.71277%0.771SS**  trans-6992.4162.9-94.870.4000104.6P89 P93P89-L91 VanDerWaalsContact C-N 3.25Å; P89-L91 HydrophobicContact CG-CD1 4.15Å; P89-L91 WeakPolarHBondContact O-CD1 3.23Å; P89-L91 PolarHBondContact O-N 2.98Å; L91-P93 VanDerWaalsContact O-CD 3.23Å; L91-P93 WeakPolarHBondContact O-CD 3.29Å; L91-P93 VanDerWaalsContact O-N 3.08Å
92V66.3Low61.2Low119 Ų119145.6 Ų145.672%0.72176%0.761SS**  trans-51.5115.6156.2175.20000104.7N90 P94N90-V92 PolarHBondContact O-N 3.5Å; V92-P94 VanDerWaalsContact O-N 3.08Å
93P68.5Low62.6Low105 Ų105142 Ų14268%0.68275%0.751SS**  trans-51.8123.9176.1-22.632.1000106.4L91 K95L91-P93 VanDerWaalsContact O-CD 3.23Å; L91-P93 WeakPolarHBondContact O-CD 3.29Å; L91-P93 VanDerWaalsContact O-N 3.08Å; P93-K95 PolarHBondContact O-N 3.39Å
94P67.8Low64.4Low113 Ų113144.4 Ų144.473%0.73475%0.75SS**  trans-51.6124176.520.8-30.4000106.3V92 I96V92-P94 VanDerWaalsContact O-N 3.08Å; P94-I96 VanDerWaalsContact C-N 3.29Å; P94-I96 PolarHBondContact O-N 2.92Å
95K63.2Low66.6Low197 Ų197146 Ų14686%0.85775%0.751SS**  trans-54.2105.5172.1-86.5-176173.5172.70105.3P93 P97P93-K95 PolarHBondContact O-N 3.39Å; K95-P97 WeakPolarHBondContact O-CD 3.39Å
96I65.7Low68.3Low145 Ų145137.1 Ų137.174%0.74472%0.723SS**  trans-52.5118.6165.4-57.1175.7000102.8P94 D98P94-I96 VanDerWaalsContact C-N 3.29Å; P94-I96 PolarHBondContact O-N 2.92Å; I96-D98 PolarHBondContact O-N 3.48Å
97P67.6Low70.4Confident111 Ų111134 Ų13472%0.72171%0.705SS**  trans-51.5124.1178.120.9-30.2000105.9K95 G99K95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-G99 VanDerWaalsContact C-N 3.35Å; P97-G99 PolarHBondContact O-N 3.01Å
98D60.7Low72.4Confident165 Ų165129.9 Ų129.988%0.88269%0.689SS**  trans-46.5104.7-174.4-76.1-49.1000107.4I96 E100I96-D98 PolarHBondContact O-N 3.48Å; D98-E100 PolarHBondContact O-N 2.91Å
99G59.3Low74.2Confident58 Ų58129.6 Ų129.660%0.59868%0.68SS**  trans-55.9118.9-176.200000105.9P97 R101P97-G99 VanDerWaalsContact C-N 3.35Å; P97-G99 PolarHBondContact O-N 3.01Å; G99-R101 VanDerWaalsContact C-N 3.3Å; G99-R101 PolarHBondContact O-N 3.42Å
100E68.5Low76.1Confident184 Ų184130.4 Ų130.486%0.8667%0.673SS**  trans-44.2107.7162.2-177.9167.3-173.500105.3D98 V102D98-E100 PolarHBondContact O-N 2.91Å; E100-V102 PolarHBondContact O-N 3.22Å
101R71.3Confident78Confident223 Ų223130 Ų13084%0.84266%0.659SS**  trans-58.9115.2-170.8-82.5-179.8-179.3151.80.3105.1G99 D103G99-R101 VanDerWaalsContact C-N 3.3Å; G99-R101 PolarHBondContact O-N 3.42Å; R101-D103 PolarHBondContact O-N 3.38Å
102V77.4Confident79.7Confident91 Ų91127.2 Ų127.255%0.55265%0.647SS**  trans-61.8106.6174.8176.30000105.9E100 F104 I107E100-V102 PolarHBondContact O-N 3.22Å; V102-F104 WeakPolarHBondContact O-CD2 3.49Å; V102-F104 PolarHBondContact O-N 3.42Å; V102-F104 VanDerWaalsContact O-N 3.08Å; V102-I107 HydrophobicContact CG1-CD1 3.34Å; V102-I107 HydrophobicContact CG1-CG1 4.27Å
103D86.8Confident81.2Confident112 Ų112126.3 Ų126.360%0.59964%0.635SS**  trans-72.8101.3178.4-76.6-27.9000108.1R101 D105 D106 I107R101-D103 PolarHBondContact O-N 3.38Å; D103-D105 PolarHBondContact O-N 2.85Å; D103-D106 HydrophobicContact CB-CB 3.89Å; D103-D106 WeakPolarHBondContact O-CB 3.36Å; D103-D106 PolarHBondContact O-N 2.89Å; D103-I107 PolarHBondContact O-N 3.44Å; D103-I107 VanDerWaalsContact O-N 3.14Å
104F88.5Confident82.6Confident164 Ų164126.9 Ų126.972%0.71963%0.627SS**Hα-helixtrans-58.9-29.7179.1-70.2-80.2000112.4V102 D106 I107 H108V102-F104 WeakPolarHBondContact O-CD2 3.49Å; V102-F104 PolarHBondContact O-N 3.42Å; V102-F104 VanDerWaalsContact O-N 3.08Å; F104-D106 VanDerWaalsContact C-N 3.33Å; F104-I107 PolarHBondContact O-N 2.97Å; F104-H108 WeakPolarHBondContact O-CB 3.49Å; F104-H108 PolarHBondContact O-N 3.49Å
105D92.1Very high84Confident129 Ų129125.3 Ų125.369%0.6961%0.613SS**Hα-helixtrans-66.5-33.8173.8-66.8-18.4000112.3D103 R109D103-D105 PolarHBondContact O-N 2.85Å; D105-R109 VanDerWaalsContact O-CB 3.27Å; D105-R109 WeakPolarHBondContact O-CB 3.46Å; D105-R109 PolarHBondContact O-N 3.39Å
106D94.3Very high85.7Confident64 Ų64120.1 Ų120.134%0.34259%0.594SS.*Hα-helixtrans-72-40.3175.2-176.745.6000110.9D103 F104 H108 R109 K110D103-D106 HydrophobicContact CB-CB 3.89Å; D103-D106 WeakPolarHBondContact O-CB 3.36Å; D103-D106 PolarHBondContact O-N 2.89Å; F104-D106 VanDerWaalsContact C-N 3.33Å; D106-H108 PolarHBondContact O-N 3.49Å; D106-R109 PolarHBondContact O-N 3.4Å; D106-K110 WeakPolarHBondContact O-CB 3.25Å; D106-K110 VanDerWaalsContact O-CG 3.29Å; D106-K110 WeakPolarHBondContact O-CG 3.43Å; D106-K110 PolarHBondContact O-N 3.11Å; D106-K110 VanDerWaalsContact OD1-CE 3.29Å; D106-K110 WeakPolarHBondContact OD1-CE 3.3Å; D106-K110 IonicContact OD1-NZ 3.58Å; D106-K110 VanDerWaalsContact OD2-CE 3.29Å; D106-K110 WeakPolarHBondContact OD2-CE 3.39Å; D106-K110 IonicContact OD2-NZ 2.66Å; D106-K110 PolarHBondContact OD2-NZ 2.88Å
107I93.8Very high87.2Confident76 Ų76117.5 Ų117.539%0.3958%0.581SS.*Hα-helixtrans-61.3-46.2173.5-66.4-179.6000111V102 D103 F104 K110 R111V102-I107 HydrophobicContact CG1-CD1 3.34Å; V102-I107 HydrophobicContact CG1-CG1 4.27Å; D103-I107 PolarHBondContact O-N 3.44Å; D103-I107 VanDerWaalsContact O-N 3.14Å; F104-I107 PolarHBondContact O-N 2.97Å; I107-K110 PolarHBondContact O-N 2.87Å; I107-R111 PolarHBondContact O-N 3.02Å
108H95.5Very high88.6Confident120 Ų120116.8 Ų116.856%0.55657%0.568SS**Hα-helixtrans-64.7-44.5-179.7-171.673.1000111.3F104 D106 K110 R111 V112F104-H108 WeakPolarHBondContact O-CB 3.49Å; F104-H108 PolarHBondContact O-N 3.49Å; D106-H108 PolarHBondContact O-N 3.49Å; H108-K110 PolarHBondContact O-N 3Å; H108-R111 WeakPolarHBondContact O-CB 3.19Å; H108-R111 PolarHBondContact O-N 3.17Å; H108-V112 WeakPolarHBondContact O-CG2 3.2Å; H108-V112 PolarHBondContact O-N 3.11Å
109R96.9Very high90.4Very high149 Ų149113.7 Ų113.756%0.56255%0.551SS**Hα-helixtrans-59.7-47.7176.6-169.2-171.5-45.2-138.5-1112.1D105 D106 R111 V112 E113D105-R109 VanDerWaalsContact O-CB 3.27Å; D105-R109 WeakPolarHBondContact O-CB 3.46Å; D105-R109 PolarHBondContact O-N 3.39Å; D106-R109 PolarHBondContact O-N 3.4Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 2.91Å; R109-V112 PolarHBondContact O-N 3.19Å; R109-E113 WeakPolarHBondContact CG-OE1 3.32Å; R109-E113 WeakPolarHBondContact O-CB 3.48Å; R109-E113 WeakPolarHBondContact O-CG 3.45Å; R109-E113 PolarHBondContact O-N 2.93Å
110K96.6Very high92.3Very high116 Ų116115.3 Ų115.350%0.50454%0.543SS..Hα-helixtrans-61.1-35.9177-76.6171.5176.1165.50112.7D106 I107 H108 K114D106-K110 WeakPolarHBondContact O-CB 3.25Å; D106-K110 VanDerWaalsContact O-CG 3.29Å; D106-K110 WeakPolarHBondContact O-CG 3.43Å; D106-K110 PolarHBondContact O-N 3.11Å; D106-K110 VanDerWaalsContact OD1-CE 3.29Å; D106-K110 WeakPolarHBondContact OD1-CE 3.3Å; D106-K110 IonicContact OD1-NZ 3.58Å; D106-K110 VanDerWaalsContact OD2-CE 3.29Å; D106-K110 WeakPolarHBondContact OD2-CE 3.39Å; D106-K110 IonicContact OD2-NZ 2.66Å; D106-K110 PolarHBondContact OD2-NZ 2.88Å; I107-K110 PolarHBondContact O-N 2.87Å; H108-K110 PolarHBondContact O-N 3Å; K110-K114 VanDerWaalsContact O-CB 3.29Å; K110-K114 WeakPolarHBondContact O-CB 3.42Å; K110-K114 PolarHBondContact O-N 3.41Å
111R96.8Very high93.7Very high153 Ų153110.9 Ų110.958%0.57753%0.529SS*.Hα-helixtrans-63.7-52.1174.1-177.3-179.7-65.2175.5-1.7110.8I107 H108 R109 E113 K114 D115I107-R111 PolarHBondContact O-N 3.02Å; H108-R111 WeakPolarHBondContact O-CB 3.19Å; H108-R111 PolarHBondContact O-N 3.17Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 2.91Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-E113 PolarHBondContact O-N 2.95Å; R111-K114 WeakPolarHBondContact O-CB 3.26Å; R111-K114 PolarHBondContact O-N 3.36Å; R111-D115 WeakPolarHBondContact CG-OD2 3.4Å; R111-D115 PolarHBondContact O-N 2.94Å
112V96.9Very high95Very high77 Ų77105.5 Ų105.547%0.46752%0.516SS..Hα-helixtrans-60.1-42.5179.3175.30000111.3H108 R109 D115 L116H108-V112 WeakPolarHBondContact O-CG2 3.2Å; H108-V112 PolarHBondContact O-N 3.11Å; R109-V112 PolarHBondContact O-N 3.19Å; V112-D115 PolarHBondContact O-N 3.46Å; V112-L116 VanDerWaalsContact O-CB 3.23Å; V112-L116 WeakPolarHBondContact O-CB 3.34Å; V112-L116 PolarHBondContact O-N 3.42Å
113E97.5Very high96Very high100 Ų100105 Ų10547%0.46751%0.51SS..Hα-helixtrans-63.7-42.1176.3-74172.8-172.500112.3R109 R111 N117R109-E113 WeakPolarHBondContact CG-OE1 3.32Å; R109-E113 WeakPolarHBondContact O-CB 3.48Å; R109-E113 WeakPolarHBondContact O-CG 3.45Å; R109-E113 PolarHBondContact O-N 2.93Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-E113 PolarHBondContact O-N 2.95Å; E113-N117 WeakPolarHBondContact O-CB 3.34Å; E113-N117 PolarHBondContact O-N 3.37Å; E113-N117 PolarHBondContact O-ND2 2.93Å; E113-N117 VanDerWaalsContact O-ND2 3.14Å
114K97.8Very high96.5Very high118 Ų118105.7 Ų105.751%0.51351%0.509SS..Hα-helixtrans-60.2-51.6175.1-178.7-167.3167.5-75.40110.7K110 R111 L116 N117 E118K110-K114 VanDerWaalsContact O-CB 3.29Å; K110-K114 WeakPolarHBondContact O-CB 3.42Å; K110-K114 PolarHBondContact O-N 3.41Å; R111-K114 WeakPolarHBondContact O-CB 3.26Å; R111-K114 PolarHBondContact O-N 3.36Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 3.16Å; K114-N117 PolarHBondContact O-N 3.01Å; K114-E118 IonicContact NZ-OE2 2.69Å; K114-E118 PolarHBondContact NZ-OE2 3.25Å; K114-E118 WeakPolarHBondContact O-CB 3.45Å; K114-E118 PolarHBondContact O-N 3.46Å
115D97Very high97Very high79 Ų7999.9 Ų99.942%0.42249%0.491SS..Hα-helixtrans-66.2-35.9-175.7-61.7-16.3000110.9R111 V112 E118 L119R111-D115 WeakPolarHBondContact CG-OD2 3.4Å; R111-D115 PolarHBondContact O-N 2.94Å; V112-D115 PolarHBondContact O-N 3.46Å; D115-E118 PolarHBondContact O-N 3.31Å; D115-L119 VanDerWaalsContact O-CB 3.25Å; D115-L119 WeakPolarHBondContact O-CB 3.28Å; D115-L119 PolarHBondContact O-N 2.94Å
116L98Very high97.3Very high88 Ų8899.1 Ų99.146%0.46148%0.483SS..Hα-helixtrans-63.8-46.1173.4-176.366.5000111.9V112 K114 L119 Q120V112-L116 VanDerWaalsContact O-CB 3.23Å; V112-L116 WeakPolarHBondContact O-CB 3.34Å; V112-L116 PolarHBondContact O-N 3.42Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 3.16Å; L116-L119 PolarHBondContact O-N 3.12Å; L116-Q120 WeakPolarHBondContact O-CG 3.21Å; L116-Q120 PolarHBondContact O-N 3.19Å
117N97.9Very high97.5Very high91 Ų91102.5 Ų102.549%0.48750%0.496SS..Hα-helixtrans-66.3-39.5178.3-70.6-27000111.8E113 K114 Q120 T121E113-N117 WeakPolarHBondContact O-CB 3.34Å; E113-N117 PolarHBondContact O-N 3.37Å; E113-N117 PolarHBondContact O-ND2 2.93Å; E113-N117 VanDerWaalsContact O-ND2 3.14Å; K114-N117 PolarHBondContact O-N 3.01Å; N117-Q120 PolarHBondContact O-N 3.5Å; N117-T121 WeakPolarHBondContact O-CB 3.17Å; N117-T121 PolarHBondContact O-N 2.97Å; N117-T121 PolarHBondContact O-OG1 3.32Å
118E97.9Very high97.8Very high95 Ų95104 Ų10444%0.44450%0.501SS..Hα-helixtrans-64.4-44.8176.6-174.7164.6178.500110.9K114 D115 Q120 T121 L122K114-E118 IonicContact NZ-OE2 2.69Å; K114-E118 PolarHBondContact NZ-OE2 3.25Å; K114-E118 WeakPolarHBondContact O-CB 3.45Å; K114-E118 PolarHBondContact O-N 3.46Å; D115-E118 PolarHBondContact O-N 3.31Å; E118-Q120 PolarHBondContact O-N 3.27Å; E118-T121 PolarHBondContact O-N 3.28Å; E118-L122 HydrophobicContact CG-CD1 4.1Å; E118-L122 WeakPolarHBondContact O-CB 3.43Å; E118-L122 PolarHBondContact O-N 2.88Å
119L98.3Very high97.9Very high100 Ų100103 Ų10352%0.52450%0.5SS..Hα-helixtrans-60.3-44.6174.6-178.562000111.9D115 L116 T121 L122 I123D115-L119 VanDerWaalsContact O-CB 3.25Å; D115-L119 WeakPolarHBondContact O-CB 3.28Å; D115-L119 PolarHBondContact O-N 2.94Å; L116-L119 PolarHBondContact O-N 3.12Å; L119-T121 VanDerWaalsContact C-N 3.34Å; L119-T121 PolarHBondContact O-N 3.4Å; L119-L122 PolarHBondContact O-N 3.02Å; L119-I123 HydrophobicContact CD1-CD1 4.12Å; L119-I123 HydrophobicContact CD1-CG1 4.37Å; L119-I123 HydrophobicContact CG-CD1 3.88Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 3.06Å
120Q98.1Very high98Very high93 Ų93102.5 Ų102.544%0.43550%0.498SS..Hα-helixtrans-60-44.8175.5-75.2174-5.200111.8L116 N117 E118 L122 I123 E124L116-Q120 WeakPolarHBondContact O-CG 3.21Å; L116-Q120 PolarHBondContact O-N 3.19Å; N117-Q120 PolarHBondContact O-N 3.5Å; E118-Q120 PolarHBondContact O-N 3.27Å; Q120-L122 VanDerWaalsContact C-N 3.35Å; Q120-L122 PolarHBondContact O-N 3.42Å; Q120-I123 PolarHBondContact O-N 2.81Å; Q120-E124 WeakPolarHBondContact O-CG 3.37Å; Q120-E124 PolarHBondContact O-N 2.86Å
121T98.3Very high98.1Very high90 Ų90103 Ų10355%0.55250%0.5SS*.Hα-helixtrans-62.9-41.8178.5-54.30000111.5N117 E118 L119 E124 A125N117-T121 WeakPolarHBondContact O-CB 3.17Å; N117-T121 PolarHBondContact O-N 2.97Å; N117-T121 PolarHBondContact O-OG1 3.32Å; E118-T121 PolarHBondContact O-N 3.28Å; L119-T121 VanDerWaalsContact C-N 3.34Å; L119-T121 PolarHBondContact O-N 3.4Å; T121-E124 PolarHBondContact O-N 3.15Å; T121-A125 VanDerWaalsContact O-CB 3.25Å; T121-A125 WeakPolarHBondContact O-CB 3.49Å; T121-A125 PolarHBondContact O-N 2.96Å
122L98.5Very high98.1Very high110 Ų110100.4 Ų100.458%0.57649%0.493SS*.Hα-helixtrans-63.3-43.5175.5-99.2139.5000112.1E118 L119 Q120 A125 H126E118-L122 HydrophobicContact CG-CD1 4.1Å; E118-L122 WeakPolarHBondContact O-CB 3.43Å; E118-L122 PolarHBondContact O-N 2.88Å; L119-L122 PolarHBondContact O-N 3.02Å; Q120-L122 VanDerWaalsContact C-N 3.35Å; Q120-L122 PolarHBondContact O-N 3.42Å; L122-A125 PolarHBondContact O-N 3.21Å; L122-H126 WeakPolarHBondContact O-CB 3.3Å; L122-H126 PolarHBondContact O-N 3.15Å
123I98.3Very high98.2Very high81 Ų81102.4 Ų102.442%0.41550%0.497SS..Hα-helixtrans-61-50.6176.9-71.6166.8000110L119 Q120 A125 H126 F127L119-I123 HydrophobicContact CD1-CD1 4.12Å; L119-I123 HydrophobicContact CD1-CG1 4.37Å; L119-I123 HydrophobicContact CG-CD1 3.88Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 3.06Å; Q120-I123 PolarHBondContact O-N 2.81Å; I123-A125 PolarHBondContact O-N 3.25Å; I123-H126 PolarHBondContact O-N 3.11Å; I123-F127 HydrophobicContact CG2-CD2 3.75Å; I123-F127 HydrophobicContact CG2-CE2 3.67Å; I123-F127 WeakPolarHBondContact O-CD2 3.37Å; I123-F127 PolarHBondContact O-N 3.33Å; I123-F127 VanDerWaalsContact O-N 3.09Å
124E98.4Very high98.2Very high126 Ų126102 Ų10259%0.58950%0.495SS*.Hα-helixtrans-60.6-46.8179-73.1176.8-177.200111.6Q120 T121 H126 F127 E128Q120-E124 WeakPolarHBondContact O-CG 3.37Å; Q120-E124 PolarHBondContact O-N 2.86Å; T121-E124 PolarHBondContact O-N 3.15Å; E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 3.17Å; E124-F127 PolarHBondContact O-N 3.33Å; E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 WeakPolarHBondContact O-CG 3.45Å; E124-E128 PolarHBondContact O-N 3.19Å
125A98.6Very high98.3Very high42 Ų42101.4 Ų101.435%0.34749%0.494SS..Hα-helixtrans-60.1-40.8177.300000112.3T121 L122 I123 N129T121-A125 VanDerWaalsContact O-CB 3.25Å; T121-A125 WeakPolarHBondContact O-CB 3.49Å; T121-A125 PolarHBondContact O-N 2.96Å; L122-A125 PolarHBondContact O-N 3.21Å; I123-A125 PolarHBondContact O-N 3.25Å; A125-N129 VanDerWaalsContact O-CB 3.26Å; A125-N129 WeakPolarHBondContact O-CB 3.44Å; A125-N129 PolarHBondContact O-N 3.37Å; A125-N129 PolarHBondContact O-ND2 3.21Å
126H98.7Very high98.3Very high113 Ų113104.3 Ų104.352%0.52351%0.505SS..Hα-helixtrans-62.6-48.2177.6-175.878.8000111.7L122 I123 E124 N129 R130L122-H126 WeakPolarHBondContact O-CB 3.3Å; L122-H126 PolarHBondContact O-N 3.15Å; I123-H126 PolarHBondContact O-N 3.11Å; E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 3.17Å; H126-N129 PolarHBondContact O-N 2.96Å; H126-R130 VanDerWaalsContact O-CB 3.3Å; H126-R130 WeakPolarHBondContact O-CB 3.4Å; H126-R130 PolarHBondContact O-N 3.11Å
127F98.6Very high98.3Very high136 Ų136104 Ų10460%0.59650%0.504SS*.Hα-helixtrans-67-40.2179.1-78.2-66.2000112.5I123 E124 K131I123-F127 HydrophobicContact CG2-CD2 3.75Å; I123-F127 HydrophobicContact CG2-CE2 3.67Å; I123-F127 WeakPolarHBondContact O-CD2 3.37Å; I123-F127 PolarHBondContact O-N 3.33Å; I123-F127 VanDerWaalsContact O-N 3.09Å; E124-F127 PolarHBondContact O-N 3.33Å; F127-K131 WeakPolarHBondContact O-CB 3.3Å; F127-K131 PolarHBondContact O-N 3.03Å
128E98.5Very high98.3Very high108 Ų108104.1 Ų104.151%0.50550%0.503SS..Hα-helixtrans-64.2-43.9176-78.2-162.9-176.800112.4E124 K131 K132E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 WeakPolarHBondContact O-CG 3.45Å; E124-E128 PolarHBondContact O-N 3.19Å; E128-K131 PolarHBondContact O-N 3.27Å; E128-K132 WeakPolarHBondContact O-CB 3Å; E128-K132 VanDerWaalsContact O-CG 3.28Å; E128-K132 WeakPolarHBondContact O-CG 3.46Å; E128-K132 PolarHBondContact O-N 3.02Å; E128-K132 IonicContact OE2-NZ 3.19Å; E128-K132 PolarHBondContact OE2-NZ 3.42Å
129N98.4Very high98.4Very high99 Ų99102.4 Ų102.453%0.52950%0.502SS..Hα-helixtrans-63.6-48.8178.6-73.1-10000110.5A125 H126 K131 K132 E133A125-N129 VanDerWaalsContact O-CB 3.26Å; A125-N129 WeakPolarHBondContact O-CB 3.44Å; A125-N129 PolarHBondContact O-N 3.37Å; A125-N129 PolarHBondContact O-ND2 3.21Å; H126-N129 PolarHBondContact O-N 2.96Å; N129-K131 VanDerWaalsContact C-N 3.31Å; N129-K131 PolarHBondContact O-N 3.06Å; N129-K132 PolarHBondContact O-N 2.82Å; N129-E133 WeakPolarHBondContact O-CB 3.49Å; N129-E133 PolarHBondContact O-N 3.45Å
130R98.4Very high98.4Very high137 Ų137101.7 Ų101.752%0.51750%0.498SS..Hα-helixtrans-60-42.3177.9-172.6172.9-177.2122.64.7112H126 E133 E134H126-R130 VanDerWaalsContact O-CB 3.3Å; H126-R130 WeakPolarHBondContact O-CB 3.4Å; H126-R130 PolarHBondContact O-N 3.11Å; R130-E133 PolarHBondContact O-N 3.24Å; R130-E134 HydrophobicContact CG-CG 4.38Å; R130-E134 WeakPolarHBondContact CG-OE1 3.19Å; R130-E134 IonicContact CZ-OE1 3.87Å; R130-E134 IonicContact NE-OE1 2.99Å; R130-E134 PolarHBondContact NE-OE1 3.28Å; R130-E134 IonicContact NH2-OE1 3.86Å; R130-E134 WeakPolarHBondContact O-CB 3.42Å; R130-E134 VanDerWaalsContact O-CG 3.28Å; R130-E134 WeakPolarHBondContact O-CG 3.47Å; R130-E134 PolarHBondContact O-N 3.32Å
131K98.5Very high98.4Very high127 Ų127103.8 Ų103.855%0.55251%0.506SS*.Hα-helixtrans-62.8-44.9177-178.5177.8174.1-176.80112F127 E128 N129 E134 E135F127-K131 WeakPolarHBondContact O-CB 3.3Å; F127-K131 PolarHBondContact O-N 3.03Å; E128-K131 PolarHBondContact O-N 3.27Å; N129-K131 VanDerWaalsContact C-N 3.31Å; N129-K131 PolarHBondContact O-N 3.06Å; K131-E134 PolarHBondContact O-N 3.39Å; K131-E135 WeakPolarHBondContact CE-OE1 3.39Å; K131-E135 WeakPolarHBondContact O-CB 3.44Å; K131-E135 VanDerWaalsContact O-CG 3.3Å; K131-E135 WeakPolarHBondContact O-CG 3.49Å; K131-E135 PolarHBondContact O-N 2.88Å
132K98.4Very high98.4Very high99 Ų99103.9 Ų103.943%0.4350%0.503SS..Hα-helixtrans-62.3-45.3177.4-72.8166.3-170.2154.70110.9E128 N129 E135 E136E128-K132 WeakPolarHBondContact O-CB 3Å; E128-K132 VanDerWaalsContact O-CG 3.28Å; E128-K132 WeakPolarHBondContact O-CG 3.46Å; E128-K132 PolarHBondContact O-N 3.02Å; E128-K132 IonicContact OE2-NZ 3.19Å; E128-K132 PolarHBondContact OE2-NZ 3.42Å; N129-K132 PolarHBondContact O-N 2.82Å; K132-E135 PolarHBondContact O-N 3.46Å; K132-E136 WeakPolarHBondContact O-CG 3.34Å; K132-E136 PolarHBondContact O-N 2.86Å
133E98.1Very high98.4Very high118 Ų118105.2 Ų105.255%0.55150%0.5SS*.Hα-helixtrans-62.1-45177-172.7-176.7167.400111.9N129 R130 E135 E136 L137N129-E133 WeakPolarHBondContact O-CB 3.49Å; N129-E133 PolarHBondContact O-N 3.45Å; R130-E133 PolarHBondContact O-N 3.24Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 PolarHBondContact O-N 2.9Å; E133-E136 PolarHBondContact O-N 3.35Å; E133-L137 HydrophobicContact CG-CD1 4.32Å; E133-L137 WeakPolarHBondContact O-CB 3.36Å; E133-L137 WeakPolarHBondContact O-CG 3.28Å; E133-L137 PolarHBondContact O-N 2.69Å
134E98.1Very high98.4Very high91 Ų91104.5 Ų104.543%0.42550%0.497SS..Hα-helixtrans-61.5-41.9175.9-76176.5-170.700111.6R130 K131 L137 I138R130-E134 HydrophobicContact CG-CG 4.38Å; R130-E134 WeakPolarHBondContact CG-OE1 3.19Å; R130-E134 IonicContact CZ-OE1 3.87Å; R130-E134 IonicContact NE-OE1 2.99Å; R130-E134 PolarHBondContact NE-OE1 3.28Å; R130-E134 IonicContact NH2-OE1 3.86Å; R130-E134 WeakPolarHBondContact O-CB 3.42Å; R130-E134 VanDerWaalsContact O-CG 3.28Å; R130-E134 WeakPolarHBondContact O-CG 3.47Å; R130-E134 PolarHBondContact O-N 3.32Å; K131-E134 PolarHBondContact O-N 3.39Å; E134-L137 PolarHBondContact O-N 2.87Å; E134-I138 WeakPolarHBondContact O-CB 3.21Å; E134-I138 WeakPolarHBondContact O-CD1 3.34Å; E134-I138 WeakPolarHBondContact O-CG1 3.43Å; E134-I138 PolarHBondContact O-N 3.47Å
135E98.4Very high98.4Very high106 Ų106104.9 Ų104.950%0.49550%0.498SS..Hα-helixtrans-63.6-40.2175.3-75.3175-173.400112.2K131 K132 E133 S139K131-E135 WeakPolarHBondContact CE-OE1 3.39Å; K131-E135 WeakPolarHBondContact O-CB 3.44Å; K131-E135 VanDerWaalsContact O-CG 3.3Å; K131-E135 WeakPolarHBondContact O-CG 3.49Å; K131-E135 PolarHBondContact O-N 2.88Å; K132-E135 PolarHBondContact O-N 3.46Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 PolarHBondContact O-N 2.9Å; E135-S139 WeakPolarHBondContact O-CB 3.42Å; E135-S139 PolarHBondContact O-N 3.34Å
136E98.1Very high98.4Very high140 Ų140109.1 Ų109.165%0.65451%0.509SS*.Hα-helixtrans-66.3-43.2175.7-74.3177.5-167.700112K132 E133 S139 L140K132-E136 WeakPolarHBondContact O-CG 3.34Å; K132-E136 PolarHBondContact O-N 2.86Å; E133-E136 PolarHBondContact O-N 3.35Å; E136-S139 PolarHBondContact O-N 2.82Å; E136-L140 WeakPolarHBondContact O-CB 3.43Å; E136-L140 PolarHBondContact O-N 2.89Å
137L98.2Very high98.4Very high82 Ų82109 Ų10943%0.42950%0.504SS..Hα-helixtrans-63.1-42.6176-74.8174.1000111.8E133 E134 L140 K141E133-L137 HydrophobicContact CG-CD1 4.32Å; E133-L137 WeakPolarHBondContact O-CB 3.36Å; E133-L137 WeakPolarHBondContact O-CG 3.28Å; E133-L137 PolarHBondContact O-N 2.69Å; E134-L137 PolarHBondContact O-N 2.87Å; L137-L140 PolarHBondContact O-N 3.45Å; L137-K141 WeakPolarHBondContact O-CB 3.45Å; L137-K141 VanDerWaalsContact O-CG 3.3Å; L137-K141 WeakPolarHBondContact O-CG 3.47Å; L137-K141 PolarHBondContact O-N 3.25Å
138I98.1Very high98.4Very high94 Ų94108.9 Ų108.948%0.48250%0.499SS..Hα-helixtrans-62.4-49.4175.4-69.4162.6000110E134 L140 K141 D142E134-I138 WeakPolarHBondContact O-CB 3.21Å; E134-I138 WeakPolarHBondContact O-CD1 3.34Å; E134-I138 WeakPolarHBondContact O-CG1 3.43Å; E134-I138 PolarHBondContact O-N 3.47Å; I138-L140 VanDerWaalsContact C-N 3.27Å; I138-L140 PolarHBondContact O-N 3.08Å; I138-K141 PolarHBondContact O-N 3.25Å; I138-K141 VanDerWaalsContact O-N 3.15Å; I138-D142 VanDerWaalsContact O-CG 3.27Å; I138-D142 PolarHBondContact O-N 2.96Å
139S98.5Very high98.3Very high58 Ų58106.4 Ų106.441%0.40650%0.497SS..Hα-helixtrans-57.6-38.9177.8177.60000113E135 E136 R143E135-S139 WeakPolarHBondContact O-CB 3.42Å; E135-S139 PolarHBondContact O-N 3.34Å; E136-S139 PolarHBondContact O-N 2.82Å; S139-R143 PolarHBondContact O-N 2.95Å
140L98.4Very high98.3Very high85 Ų85105.7 Ų105.745%0.44549%0.491SS..Hα-helixtrans-67.7-47.2176.1-179.459.2000111.5E136 L137 I138 D142 R143 I144E136-L140 WeakPolarHBondContact O-CB 3.43Å; E136-L140 PolarHBondContact O-N 2.89Å; L137-L140 PolarHBondContact O-N 3.45Å; I138-L140 VanDerWaalsContact C-N 3.27Å; I138-L140 PolarHBondContact O-N 3.08Å; L140-D142 PolarHBondContact O-N 3.46Å; L140-R143 PolarHBondContact O-N 3.13Å; L140-I144 HydrophobicContact CD1-CD1 4.23Å; L140-I144 HydrophobicContact CG-CD1 4.09Å; L140-I144 WeakPolarHBondContact O-CG1 3.48Å; L140-I144 PolarHBondContact O-N 3.08Å
141K98.4Very high98.3Very high138 Ų138105.8 Ų105.860%0.649%0.491SS*.Hα-helixtrans-58.3-47.8176.9-76.4175.9179.3179.80111.4L137 I138 R143 I144 E145L137-K141 WeakPolarHBondContact O-CB 3.45Å; L137-K141 VanDerWaalsContact O-CG 3.3Å; L137-K141 WeakPolarHBondContact O-CG 3.47Å; L137-K141 PolarHBondContact O-N 3.25Å; I138-K141 PolarHBondContact O-N 3.25Å; I138-K141 VanDerWaalsContact O-N 3.15Å; K141-R143 PolarHBondContact O-N 2.88Å; K141-I144 PolarHBondContact O-N 3.32Å; K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 PolarHBondContact O-N 2.91Å
142D98.5Very high98.3Very high91 Ų91102.4 Ų102.449%0.48749%0.487SS..Hα-helixtrans-57.5-38.9177.8-69.9-5.8000111.6I138 L140 K146I138-D142 VanDerWaalsContact O-CG 3.27Å; I138-D142 PolarHBondContact O-N 2.96Å; L140-D142 PolarHBondContact O-N 3.46Å; D142-K146 WeakPolarHBondContact O-CB 3.48Å; D142-K146 PolarHBondContact O-N 3.06Å
143R98.6Very high98.2Very high139 Ų139103.6 Ų103.653%0.52549%0.494SS..Hα-helixtrans-71.9-33.1178.3-163.2-175.3-53.9161.28.9112.9S139 L140 K141 R147S139-R143 PolarHBondContact O-N 2.95Å; L140-R143 PolarHBondContact O-N 3.13Å; K141-R143 PolarHBondContact O-N 2.88Å; R143-R147 WeakPolarHBondContact O-CG 3.31Å; R143-R147 PolarHBondContact O-N 3.24Å; R143-R147 PolarHBondContact O-NE 2.95Å
144I98.4Very high98.2Very high66 Ų66103.2 Ų103.234%0.33849%0.492SS..Hα-helixtrans-71.3-48.4174.7-69.1169.1000109.3L140 K141 K146 R147 R148L140-I144 HydrophobicContact CD1-CD1 4.23Å; L140-I144 HydrophobicContact CG-CD1 4.09Å; L140-I144 WeakPolarHBondContact O-CG1 3.48Å; L140-I144 PolarHBondContact O-N 3.08Å; K141-I144 PolarHBondContact O-N 3.32Å; I144-K146 VanDerWaalsContact C-N 3.31Å; I144-K146 PolarHBondContact O-N 2.89Å; I144-R147 PolarHBondContact O-N 2.92Å; I144-R147 VanDerWaalsContact O-N 3.12Å; I144-R148 PolarHBondContact O-N 2.89Å
145E98.5Very high98.2Very high134 Ų134101 Ų10163%0.62648%0.482SS*.Hα-helixtrans-59.6-43.1178.3-172.9172.7-16900111.2K141 R147 R148 A149K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 PolarHBondContact O-N 2.91Å; E145-R147 PolarHBondContact O-N 2.93Å; E145-R148 PolarHBondContact O-N 3.46Å; E145-A149 WeakPolarHBondContact O-CB 2.86Å; E145-A149 PolarHBondContact O-N 2.96Å
146K98.5Very high98.1Very high130 Ų130105.4 Ų105.457%0.56549%0.494SS*.Hα-helixtrans-58.5-46.5173.4179.9172.4172.7175.70112.5D142 I144 A149 E150D142-K146 WeakPolarHBondContact O-CB 3.48Å; D142-K146 PolarHBondContact O-N 3.06Å; I144-K146 VanDerWaalsContact C-N 3.31Å; I144-K146 PolarHBondContact O-N 2.89Å; K146-A149 PolarHBondContact O-N 3.45Å; K146-E150 WeakPolarHBondContact CE-OE1 3.21Å; K146-E150 HydrophobicContact CG-CG 4.48Å; K146-E150 IonicContact NZ-OE1 3.91Å; K146-E150 WeakPolarHBondContact O-CB 3.14Å; K146-E150 VanDerWaalsContact O-CG 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.42Å; K146-E150 PolarHBondContact O-N 3.17Å
147R98.4Very high98.1Very high112 Ų112101.6 Ų101.642%0.42348%0.478SS..Hα-helixtrans-63.9-40.5177.7-81.7-176.5-94.1172.3-6112R143 I144 E145 E150 R151R143-R147 WeakPolarHBondContact O-CG 3.31Å; R143-R147 PolarHBondContact O-N 3.24Å; R143-R147 PolarHBondContact O-NE 2.95Å; I144-R147 PolarHBondContact O-N 2.92Å; I144-R147 VanDerWaalsContact O-N 3.12Å; E145-R147 PolarHBondContact O-N 2.93Å; R147-E150 PolarHBondContact O-N 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.45Å; R147-R151 PolarHBondContact O-N 3.08Å
148R98.3Very high98Very high133 Ų133104.4 Ų104.450%0.50248%0.483SS..Hα-helixtrans-62.6-46.3174.7-76.5-177.1169.9164.50.2111.6E37 I144 E145 E150 R151 A152E37-R148 IonicContact OE1-NE 3.55Å; E37-R148 IonicContact OE1-NH2 3.79Å; I144-R148 PolarHBondContact O-N 2.89Å; E145-R148 PolarHBondContact O-N 3.46Å; R148-E150 VanDerWaalsContact C-N 3.35Å; R148-E150 PolarHBondContact O-N 2.91Å; R148-R151 PolarHBondContact O-N 3.02Å; R148-A152 WeakPolarHBondContact O-CB 3.28Å; R148-A152 PolarHBondContact O-N 3.06Å
149A97.7Very high98Very high56 Ų56103.7 Ų103.746%0.46348%0.48SS..Hα-helixtrans-61.3-42.4176.600000111.9E145 K146 A152 E153E145-A149 WeakPolarHBondContact O-CB 2.86Å; E145-A149 PolarHBondContact O-N 2.96Å; K146-A149 PolarHBondContact O-N 3.45Å; A149-A152 PolarHBondContact O-N 2.64Å; A149-E153 WeakPolarHBondContact O-CB 3.45Å; A149-E153 PolarHBondContact O-N 2.86Å
150E98.2Very high97.9Very high84 Ų84107.5 Ų107.539%0.39349%0.491SS..Hα-helixtrans-61.5-42.6175.9-75.7170.4179.600112.1K146 R147 R148 E153 Q154K146-E150 WeakPolarHBondContact CE-OE1 3.21Å; K146-E150 HydrophobicContact CG-CG 4.48Å; K146-E150 IonicContact NZ-OE1 3.91Å; K146-E150 WeakPolarHBondContact O-CB 3.14Å; K146-E150 VanDerWaalsContact O-CG 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.42Å; K146-E150 PolarHBondContact O-N 3.17Å; R147-E150 PolarHBondContact O-N 3.3Å; R148-E150 VanDerWaalsContact C-N 3.35Å; R148-E150 PolarHBondContact O-N 2.91Å; E150-E153 PolarHBondContact O-N 3.39Å; E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.46Å; E150-Q154 PolarHBondContact O-N 3.31Å
151R97.8Very high97.8Very high138 Ų138110.9 Ų110.952%0.52150%0.498SS..Hα-helixtrans-67.4-44.9175.2-68.5-171.1-153108.7-9.7112.2R147 R148 E153 Q154 Q155R147-R151 WeakPolarHBondContact O-CG 3.45Å; R147-R151 PolarHBondContact O-N 3.08Å; R148-R151 PolarHBondContact O-N 3.02Å; R151-E153 PolarHBondContact O-N 3.28Å; R151-Q154 WeakPolarHBondContact O-CB 3.25Å; R151-Q154 PolarHBondContact O-N 3.29Å; R151-Q154 VanDerWaalsContact O-N 3.08Å; R151-Q155 PolarHBondContact O-N 3.13Å
152A97.9Very high97.7Very high56 Ų56107.4 Ų107.446%0.46348%0.484SS..Hα-helixtrans-59.7-37.617600000111.6R148 A149 R156R148-A152 WeakPolarHBondContact O-CB 3.28Å; R148-A152 PolarHBondContact O-N 3.06Å; A149-A152 PolarHBondContact O-N 2.64Å; A152-R156 WeakPolarHBondContact O-CB 3.37Å; A152-R156 VanDerWaalsContact O-CG 3.29Å; A152-R156 WeakPolarHBondContact O-CG 3.29Å; A152-R156 PolarHBondContact O-N 2.91Å
153E97.9Very high97.6Very high124 Ų124109.5 Ų109.558%0.57949%0.488SS*.Hα-helixtrans-66.9-42.8173.6-173.1176.8-171.500111.7A149 E150 R151 Q155 R156 I157A149-E153 WeakPolarHBondContact O-CB 3.45Å; A149-E153 PolarHBondContact O-N 2.86Å; E150-E153 PolarHBondContact O-N 3.39Å; R151-E153 PolarHBondContact O-N 3.28Å; E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-Q155 PolarHBondContact O-N 3.25Å; E153-R156 PolarHBondContact O-N 3Å; E153-I157 HydrophobicContact CG-CD1 4.05Å; E153-I157 VanDerWaalsContact O-CG1 3.28Å; E153-I157 WeakPolarHBondContact O-CG1 3.3Å; E153-I157 PolarHBondContact O-N 3.05Å
154Q98.2Very high97.5Very high110 Ų110108.5 Ų108.551%0.51449%0.49SS..Hα-helixtrans-58.5-45.7174.6-74.6174.913.200111.7E150 R151 I157 R158E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.46Å; E150-Q154 PolarHBondContact O-N 3.31Å; R151-Q154 WeakPolarHBondContact O-CB 3.25Å; R151-Q154 PolarHBondContact O-N 3.29Å; R151-Q154 VanDerWaalsContact O-N 3.08Å; Q154-I157 PolarHBondContact O-N 2.9Å; Q154-R158 WeakPolarHBondContact O-CG 3.49Å; Q154-R158 PolarHBondContact O-N 2.87Å
155Q96.8Very high97.4Very high45 Ų45114.1 Ų114.121%0.2151%0.507CS..Hα-helixtrans-64.4-44.7177.6-160.865.13.900111.2D30 R151 E153 I157 R158 N159D30-Q155 PolarHBondContact OD1-NE2 3.49Å; D30-Q155 PolarHBondContact OD2-NE2 2.99Å; R151-Q155 PolarHBondContact O-N 3.13Å; E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-Q155 PolarHBondContact O-N 3.25Å; Q155-I157 VanDerWaalsContact C-N 3.26Å; Q155-I157 PolarHBondContact O-N 3.31Å; Q155-R158 WeakPolarHBondContact O-CB 3.37Å; Q155-R158 PolarHBondContact O-N 2.87Å; Q155-R158 VanDerWaalsContact OE1-NH1 3.16Å; Q155-N159 VanDerWaalsContact O-CG 3.3Å; Q155-N159 PolarHBondContact O-N 3.25Å; Q155-N159 PolarHBondContact O-OD1 2.91Å
156R97.3Very high97.1Very high198 Ų198111.8 Ų111.875%0.74750%0.496SS*.Hα-helixtrans-56.5-40.5174.4-76.7-17571.61595.2112.9A152 E153 E160A152-R156 WeakPolarHBondContact O-CB 3.37Å; A152-R156 VanDerWaalsContact O-CG 3.29Å; A152-R156 WeakPolarHBondContact O-CG 3.29Å; A152-R156 PolarHBondContact O-N 2.91Å; E153-R156 PolarHBondContact O-N 3Å; R156-E160 WeakPolarHBondContact O-CB 3.37Å; R156-E160 PolarHBondContact O-N 3.02Å
157I97.7Very high96.9Very high61 Ų61110 Ų11031%0.31349%0.492SS..Hα-helixtrans-67.8-39.3177.4-69.3166.4000111.1E153 Q154 Q155 R161E153-I157 HydrophobicContact CG-CD1 4.05Å; E153-I157 VanDerWaalsContact O-CG1 3.28Å; E153-I157 WeakPolarHBondContact O-CG1 3.3Å; E153-I157 PolarHBondContact O-N 3.05Å; Q154-I157 PolarHBondContact O-N 2.9Å; Q155-I157 VanDerWaalsContact C-N 3.26Å; Q155-I157 PolarHBondContact O-N 3.31Å; I157-R161 WeakPolarHBondContact O-CB 3.49Å; I157-R161 VanDerWaalsContact O-CG 3.24Å; I157-R161 WeakPolarHBondContact O-CG 3.47Å; I157-R161 PolarHBondContact O-N 3.39Å
158R97Very high96.7Very high141 Ų141112.8 Ų112.853%0.53250%0.503SS..Hα-helixtrans-61.7-55175-73.5177.5-178.4159.4-8.5110.6Q154 Q155 E160 R161 E162Q154-R158 WeakPolarHBondContact O-CG 3.49Å; Q154-R158 PolarHBondContact O-N 2.87Å; Q155-R158 WeakPolarHBondContact O-CB 3.37Å; Q155-R158 PolarHBondContact O-N 2.87Å; Q155-R158 VanDerWaalsContact OE1-NH1 3.16Å; R158-E160 VanDerWaalsContact C-N 3.27Å; R158-E160 PolarHBondContact O-N 3.48Å; R158-R161 WeakPolarHBondContact O-CB 3.24Å; R158-R161 PolarHBondContact O-N 3.05Å; R158-E162 PolarHBondContact O-N 3.02Å
159N96.3Very high96.5Very high79 Ų79111.2 Ų111.242%0.42250%0.504SS..Hα-helixtrans-61.2-36-179.4-58.821.2000111.6Q155 K163Q155-N159 VanDerWaalsContact O-CG 3.3Å; Q155-N159 PolarHBondContact O-N 3.25Å; Q155-N159 PolarHBondContact O-OD1 2.91Å; N159-K163 WeakPolarHBondContact O-CB 3.42Å; N159-K163 PolarHBondContact O-N 3.13Å
160E97.1Very high96.3Very high138 Ų138111.4 Ų111.465%0.64551%0.505SS*.Hα-helixtrans-66.2-41.7175.1-175.5172.4-158.900112R156 R158 K163 E164R156-E160 WeakPolarHBondContact O-CB 3.37Å; R156-E160 PolarHBondContact O-N 3.02Å; R158-E160 VanDerWaalsContact C-N 3.27Å; R158-E160 PolarHBondContact O-N 3.48Å; E160-K163 PolarHBondContact O-N 3.19Å; E160-E164 WeakPolarHBondContact O-CB 3.44Å; E160-E164 PolarHBondContact O-N 3.02Å
161R96.3Very high96Very high155 Ų155114.4 Ų114.459%0.58552%0.519SS*.Hα-helixtrans-66.9-41.4176.8-74.5171.6-178.3170.15.2112.1I157 R158 E164 R165I157-R161 WeakPolarHBondContact O-CB 3.49Å; I157-R161 VanDerWaalsContact O-CG 3.24Å; I157-R161 WeakPolarHBondContact O-CG 3.47Å; I157-R161 PolarHBondContact O-N 3.39Å; R158-R161 WeakPolarHBondContact O-CB 3.24Å; R158-R161 PolarHBondContact O-N 3.05Å; R161-E164 WeakPolarHBondContact O-CB 3.27Å; R161-E164 PolarHBondContact O-N 3.41Å; R161-R165 WeakPolarHBondContact O-CG 3.5Å; R161-R165 PolarHBondContact O-N 3.4Å
162E96.1Very high95.6Very high65 Ų65113.5 Ų113.530%0.30452%0.521SS..Hα-helixtrans-63.1-48.6175175.1157.6-114.900111.3R158 E164 R165 Q166R158-E162 PolarHBondContact O-N 3.02Å; E162-E164 PolarHBondContact O-N 3.43Å; E162-R165 WeakPolarHBondContact O-CA 3.37Å; E162-R165 WeakPolarHBondContact O-CB 3.45Å; E162-R165 PolarHBondContact O-N 2.87Å; E162-Q166 HydrophobicContact CG-CG 4.48Å; E162-Q166 WeakPolarHBondContact O-CG 3.49Å; E162-Q166 PolarHBondContact O-N 3.47Å
163K96.7Very high95.2Very high135 Ų135117.1 Ų117.159%0.58752%0.523SS*.Hα-helixtrans-57.9-37.2173.7-174172-175.9170.50112.3N159 E160 N167N159-K163 WeakPolarHBondContact O-CB 3.42Å; N159-K163 PolarHBondContact O-N 3.13Å; E160-K163 PolarHBondContact O-N 3.19Å; K163-N167 VanDerWaalsContact O-CB 3.27Å; K163-N167 WeakPolarHBondContact O-CB 3.46Å; K163-N167 PolarHBondContact O-N 3.01Å; K163-N167 PolarHBondContact O-ND2 3.42Å; K163-N167 VanDerWaalsContact O-ND2 3.13Å
164E96.4Very high94.9Very high119 Ų119113.3 Ų113.356%0.55651%0.513SS*.Hα-helixtrans-64.5-41.4174-168.6-173.9173.200111.9E160 R161 E162 N167 R168E160-E164 WeakPolarHBondContact O-CB 3.44Å; E160-E164 PolarHBondContact O-N 3.02Å; R161-E164 WeakPolarHBondContact O-CB 3.27Å; R161-E164 PolarHBondContact O-N 3.41Å; E162-E164 PolarHBondContact O-N 3.43Å; E164-N167 PolarHBondContact O-N 3.11Å; E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 PolarHBondContact O-N 2.97Å
165R96.1Very high94.4Very high184 Ų184116.1 Ų116.169%0.69452%0.519SS*.Hα-helixtrans-62.8-49.6175.2-69.9172.7179.5-170.21.2111.3R161 E162 N167 R168 L169R161-R165 WeakPolarHBondContact O-CG 3.5Å; R161-R165 PolarHBondContact O-N 3.4Å; E162-R165 WeakPolarHBondContact O-CA 3.37Å; E162-R165 WeakPolarHBondContact O-CB 3.45Å; E162-R165 PolarHBondContact O-N 2.87Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-N167 PolarHBondContact O-N 3.42Å; R165-R168 WeakPolarHBondContact O-CB 3.43Å; R165-R168 PolarHBondContact O-N 3.21Å; R165-R168 VanDerWaalsContact O-N 3.11Å; R165-L169 PolarHBondContact O-N 3.47Å
166Q93.4Very high93.9Very high84 Ų84121.6 Ų121.639%0.39354%0.538SS..Hα-helixtrans-58.3-45.4177.5-69.7-64.6-8.900111.3E162 R168 L169 A170E162-Q166 HydrophobicContact CG-CG 4.48Å; E162-Q166 WeakPolarHBondContact O-CG 3.49Å; E162-Q166 PolarHBondContact O-N 3.47Å; Q166-R168 VanDerWaalsContact C-N 3.33Å; Q166-R168 PolarHBondContact O-N 3.31Å; Q166-L169 PolarHBondContact O-N 3.45Å; Q166-A170 WeakPolarHBondContact O-CB 3.44Å; Q166-A170 PolarHBondContact O-N 2.93Å
167N94.1Very high93.5Very high93 Ų93117.1 Ų117.150%0.49753%0.525SS..Hα-helixtrans-61.7-39175.9-72.9-23.4000112.5K163 E164 R165 A170 E171K163-N167 VanDerWaalsContact O-CB 3.27Å; K163-N167 WeakPolarHBondContact O-CB 3.46Å; K163-N167 PolarHBondContact O-N 3.01Å; K163-N167 PolarHBondContact O-ND2 3.42Å; K163-N167 VanDerWaalsContact O-ND2 3.13Å; E164-N167 PolarHBondContact O-N 3.11Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-N167 PolarHBondContact O-N 3.42Å; N167-A170 PolarHBondContact O-N 2.91Å; N167-E171 VanDerWaalsContact O-CB 3.3Å; N167-E171 WeakPolarHBondContact O-CB 3.39Å; N167-E171 PolarHBondContact O-N 3.48Å
168R93.8Very high92.9Very high170 Ų170121 Ų12164%0.64254%0.542SS*.Hα-helixtrans-65.2-43.4177.7-178.9-179.4-76.2-178.60.9111.6E164 R165 Q166 E171 E172E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 PolarHBondContact O-N 2.97Å; R165-R168 WeakPolarHBondContact O-CB 3.43Å; R165-R168 PolarHBondContact O-N 3.21Å; R165-R168 VanDerWaalsContact O-N 3.11Å; Q166-R168 VanDerWaalsContact C-N 3.33Å; Q166-R168 PolarHBondContact O-N 3.31Å; R168-E171 PolarHBondContact O-N 3.42Å; R168-E172 PolarHBondContact O-N 2.69Å
169L93.8Very high92.4Very high101 Ų101118.4 Ų118.453%0.52954%0.536SS..Hα-helixtrans-63.8-45.2176.4-68.7173.4000111R165 Q166 E171 E172 R173R165-L169 PolarHBondContact O-N 3.47Å; Q166-L169 PolarHBondContact O-N 3.45Å; L169-E171 PolarHBondContact O-N 2.88Å; L169-E172 PolarHBondContact O-N 3.14Å; L169-R173 WeakPolarHBondContact O-CB 3.3Å; L169-R173 PolarHBondContact O-N 3.35Å
170A93.6Very high91.9Very high59 Ų59119.3 Ų119.349%0.48854%0.537SS..Hα-helixtrans-62.3-40.2176.500000112.5Q166 N167 R173 A174Q166-A170 WeakPolarHBondContact O-CB 3.44Å; Q166-A170 PolarHBondContact O-N 2.93Å; N167-A170 PolarHBondContact O-N 2.91Å; A170-R173 PolarHBondContact O-N 2.86Å; A170-A174 VanDerWaalsContact O-CB 3.28Å; A170-A174 WeakPolarHBondContact O-CB 3.28Å; A170-A174 PolarHBondContact O-N 3.29Å
171E91.7Very high91.5Very high147 Ų147117.3 Ų117.369%0.68753%0.531SS*.Hα-helixtrans-67.1-40.2176.6-172.6179.4-179.500111.9N167 R168 L169 A174 R175N167-E171 VanDerWaalsContact O-CB 3.3Å; N167-E171 WeakPolarHBondContact O-CB 3.39Å; N167-E171 PolarHBondContact O-N 3.48Å; R168-E171 PolarHBondContact O-N 3.42Å; L169-E171 PolarHBondContact O-N 2.88Å; E171-A174 PolarHBondContact O-N 2.92Å; E171-R175 WeakPolarHBondContact O-CB 3.29Å; E171-R175 PolarHBondContact O-N 3.29Å
172E88.9Confident91.1Very high119 Ų119116.9 Ų116.956%0.55653%0.529SS*.Hα-helixtrans-64.2-44.8175-174.4174.7-179.900111.6R168 L169 R175 R176R168-E172 PolarHBondContact O-N 2.69Å; L169-E172 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 2.87Å; E172-R176 PolarHBondContact O-N 3.2Å
173R90.4Very high90.8Very high132 Ų132122.1 Ų122.150%0.49855%0.547SS..Hα-helixtrans-60-49175.4-173.2-179.4-81.1171.1-10.4110.8E16 L169 A170 R175 R176 E177E16-R173 IonicContact OE1-CZ 2.97Å; E16-R173 IonicContact OE1-NH2 2.69Å; E16-R173 PolarHBondContact OE1-NH2 3.44Å; E16-R173 IonicContact OE2-NH2 2.64Å; E16-R173 PolarHBondContact OE2-NH2 3.01Å; L169-R173 WeakPolarHBondContact O-CB 3.3Å; L169-R173 PolarHBondContact O-N 3.35Å; A170-R173 PolarHBondContact O-N 2.86Å; R173-R175 VanDerWaalsContact C-N 3.32Å; R173-R175 PolarHBondContact O-N 3.46Å; R173-R176 PolarHBondContact O-N 2.99Å; R173-R176 VanDerWaalsContact O-N 3.14Å; R173-E177 WeakPolarHBondContact O-CG 3.37Å; R173-E177 PolarHBondContact O-N 2.97Å
174A90.4Very high90.5Very high45 Ų45120.3 Ų120.337%0.37254%0.539SS..Hα-helixtrans-58.9-42.3177.600000112.2A170 E171 R176 E177 E178A170-A174 VanDerWaalsContact O-CB 3.28Å; A170-A174 WeakPolarHBondContact O-CB 3.28Å; A170-A174 PolarHBondContact O-N 3.29Å; E171-A174 PolarHBondContact O-N 2.92Å; A174-R176 PolarHBondContact O-N 2.97Å; A174-E177 PolarHBondContact O-N 3.38Å; A174-E178 WeakPolarHBondContact O-CG 3.27Å; A174-E178 PolarHBondContact O-N 2.81Å
175R88.7Confident90.3Very high168 Ų168117.4 Ų117.463%0.63454%0.535SS*.Hα-helixtrans-64.6-40.7176.7-176179.7169.7-173.3-3112.1E171 E172 R173 E178 E179E171-R175 WeakPolarHBondContact O-CB 3.29Å; E171-R175 PolarHBondContact O-N 3.29Å; E172-R175 PolarHBondContact O-N 2.87Å; R173-R175 VanDerWaalsContact C-N 3.32Å; R173-R175 PolarHBondContact O-N 3.46Å; R175-E178 PolarHBondContact O-N 3.33Å; R175-E179 IonicContact NE-OE1 3.6Å; R175-E179 IonicContact NH2-OE1 3.9Å; R175-E179 WeakPolarHBondContact O-CG 2.96Å; R175-E179 PolarHBondContact O-N 2.97Å; R175-E179 VanDerWaalsContact O-N 3.12Å
176R86.9Confident90Very high161 Ų161114.2 Ų114.261%0.60853%0.528SS*.Hα-helixtrans-64.9-42.9176.6-177.1178.1-87.7178.1-2.5111.1E172 R173 A174 E179 E180E172-R176 PolarHBondContact O-N 3.2Å; R173-R176 PolarHBondContact O-N 2.99Å; R173-R176 VanDerWaalsContact O-N 3.14Å; A174-R176 PolarHBondContact O-N 2.97Å; R176-E179 PolarHBondContact O-N 3.37Å; R176-E180 PolarHBondContact O-N 3.5Å
177E88.3Confident89.9Confident104 Ų104113.5 Ų113.549%0.48653%0.527SS..Hα-helixtrans-63.8-40.2175.8-72.7178.3-164.700112.7R173 A174 E180 N181R173-E177 WeakPolarHBondContact O-CG 3.37Å; R173-E177 PolarHBondContact O-N 2.97Å; A174-E177 PolarHBondContact O-N 3.38Å; E177-E180 PolarHBondContact O-N 3.32Å; E177-N181 WeakPolarHBondContact O-CB 3.4Å; E177-N181 PolarHBondContact O-N 3.48Å; E177-N181 PolarHBondContact O-ND2 3.36Å
178E84.3Confident89.7Confident143 Ų143115.4 Ų115.467%0.66853%0.533SS*.Hα-helixtrans-62.3-41.8174.7-77.9-175.9-179.500112.2A174 R175 R182A174-E178 WeakPolarHBondContact O-CG 3.27Å; A174-E178 PolarHBondContact O-N 2.81Å; R175-E178 PolarHBondContact O-N 3.33Å; E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 2.95Å
179E87.8Confident89.6Confident86 Ų86110.2 Ų110.240%0.40253%0.526SS..Hα-helixtrans-67.8-38.7176.9-72.1-174.6-172.800112.2R175 R176 R182 R183R175-E179 IonicContact NE-OE1 3.6Å; R175-E179 IonicContact NH2-OE1 3.9Å; R175-E179 WeakPolarHBondContact O-CG 2.96Å; R175-E179 PolarHBondContact O-N 2.97Å; R175-E179 VanDerWaalsContact O-N 3.12Å; R176-E179 PolarHBondContact O-N 3.37Å; E179-R182 PolarHBondContact O-N 3.32Å; E179-R183 WeakPolarHBondContact O-CB 3.35Å; E179-R183 PolarHBondContact O-N 3.46Å
180E85.9Confident89.5Confident97 Ų97114.3 Ų114.345%0.45353%0.534SS..Hα-helixtrans-67.6-44.1176.3-159.7-158.8176.500111.7R176 E177 R182 R183 K184R176-E180 PolarHBondContact O-N 3.5Å; E177-E180 PolarHBondContact O-N 3.32Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 3.48Å; E180-R183 PolarHBondContact O-N 2.93Å; E180-K184 VanDerWaalsContact CD-CE 3.45Å; E180-K184 HydrophobicContact CG-CD 4.46Å; E180-K184 WeakPolarHBondContact O-CB 3.32Å; E180-K184 WeakPolarHBondContact O-CG 3.46Å; E180-K184 PolarHBondContact O-N 3.45Å; E180-K184 WeakPolarHBondContact OE1-CE 3.36Å; E180-K184 IonicContact OE1-NZ 3.06Å; E180-K184 PolarHBondContact OE1-NZ 3.12Å; E180-K184 IonicContact OE2-NZ 3.91Å; E180-K184 PolarHBondContact OE2-NZ 3.47Å
181N87.4Confident89.5Confident96 Ų96118 Ų11851%0.51354%0.539SS..Hα-helixtrans-63.2-39.3175.6-79-31.7000111.9E177 K184 A185E177-N181 WeakPolarHBondContact O-CB 3.4Å; E177-N181 PolarHBondContact O-N 3.48Å; E177-N181 PolarHBondContact O-ND2 3.36Å; N181-K184 PolarHBondContact O-N 3.48Å; N181-A185 WeakPolarHBondContact O-CB 3.47Å; N181-A185 PolarHBondContact O-N 2.8Å
182R89.4Confident89.6Confident146 Ų146118.9 Ų118.955%0.55154%0.541SS*.Hα-helixtrans-60.4-46.3172.6-174.6179.767.7-151.1-5.7111.1E178 E179 E180 A185 E186E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 2.95Å; E179-R182 PolarHBondContact O-N 3.32Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 3.48Å; R182-A185 PolarHBondContact O-N 3.35Å; R182-E186 WeakPolarHBondContact O-CG 3.49Å; R182-E186 PolarHBondContact O-N 2.89Å
183R88.3Confident89.6Confident176 Ų176121.1 Ų121.166%0.66455%0.549SS*.Hα-helixtrans-64.4-43.8179-172.8178.9175.4-174.1-1.8112.1E179 E180 A185 E186 D187E179-R183 WeakPolarHBondContact O-CB 3.35Å; E179-R183 PolarHBondContact O-N 3.46Å; E180-R183 PolarHBondContact O-N 2.93Å; R183-A185 PolarHBondContact O-N 2.96Å; R183-E186 PolarHBondContact O-N 2.83Å; R183-D187 PolarHBondContact O-N 3.3Å
184K91.7Very high89.6Confident97 Ų97117.7 Ų117.742%0.42255%0.548SS..Hα-helixtrans-58.2-46.6174.6-75.6172.8-179.5159.90111E180 N181 E186 D187 E188E180-K184 VanDerWaalsContact CD-CE 3.45Å; E180-K184 HydrophobicContact CG-CD 4.46Å; E180-K184 WeakPolarHBondContact O-CB 3.32Å; E180-K184 WeakPolarHBondContact O-CG 3.46Å; E180-K184 PolarHBondContact O-N 3.45Å; E180-K184 WeakPolarHBondContact OE1-CE 3.36Å; E180-K184 IonicContact OE1-NZ 3.06Å; E180-K184 PolarHBondContact OE1-NZ 3.12Å; E180-K184 IonicContact OE2-NZ 3.91Å; E180-K184 PolarHBondContact OE2-NZ 3.47Å; N181-K184 PolarHBondContact O-N 3.48Å; K184-E186 PolarHBondContact O-N 2.96Å; K184-D187 PolarHBondContact O-N 2.88Å; K184-E188 WeakPolarHBondContact O-CB 3.37Å; K184-E188 WeakPolarHBondContact O-CG 3.49Å; K184-E188 PolarHBondContact O-N 3.18Å
185A92.3Very high89.4Confident57 Ų57120.8 Ų120.847%0.47156%0.558SS.*Hα-helixtrans-63.6-40.1178.100000112.8N181 R182 R183 A189N181-A185 WeakPolarHBondContact O-CB 3.47Å; N181-A185 PolarHBondContact O-N 2.8Å; R182-A185 PolarHBondContact O-N 3.35Å; R183-A185 PolarHBondContact O-N 2.96Å; A185-A189 VanDerWaalsContact O-CB 3.32Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.34Å
186E89.8Confident89.2Confident118 Ų118115.5 Ų115.555%0.55155%0.547SS*.Hα-helixtrans-64.2-43.4175-75.1177.4-165.100112.1R182 R183 K184 A189 R190R182-E186 WeakPolarHBondContact O-CG 3.49Å; R182-E186 PolarHBondContact O-N 2.89Å; R183-E186 PolarHBondContact O-N 2.83Å; K184-E186 PolarHBondContact O-N 2.96Å; E186-A189 PolarHBondContact O-N 2.91Å; E186-R190 WeakPolarHBondContact O-CB 3.24Å; E186-R190 PolarHBondContact O-N 2.87Å
187D91Very high88.9Confident69 Ų69113.4 Ų113.437%0.36955%0.548SS..Hα-helixtrans-66.8-39.7177.2-82.3-25.8000112.1R183 K184 R190 K191R183-D187 PolarHBondContact O-N 3.3Å; K184-D187 PolarHBondContact O-N 2.88Å; D187-R190 PolarHBondContact O-N 3.01Å; D187-K191 WeakPolarHBondContact O-CB 3.29Å; D187-K191 VanDerWaalsContact O-CG 3.24Å; D187-K191 WeakPolarHBondContact O-CG 3.43Å; D187-K191 PolarHBondContact O-N 2.97Å
188E90.3Very high88.4Confident133 Ų133115.3 Ų115.362%0.62156%0.559SS**Hα-helixtrans-63.8-44172.9-76.7-175.7-17800112.1K184 R190 K191 K192K184-E188 WeakPolarHBondContact O-CB 3.37Å; K184-E188 WeakPolarHBondContact O-CG 3.49Å; K184-E188 PolarHBondContact O-N 3.18Å; E188-R190 VanDerWaalsContact C-N 3.31Å; E188-R190 PolarHBondContact O-N 3.45Å; E188-K191 PolarHBondContact O-N 2.89Å; E188-K192 VanDerWaalsContact O-CB 3.29Å; E188-K192 WeakPolarHBondContact O-CB 3.34Å; E188-K192 PolarHBondContact O-N 2.82Å
189A91.4Very high87.9Confident60 Ų60116.4 Ų116.450%0.49657%0.566SS.*Hα-helixtrans-61.6-41.2174.800000111.3A185 E186 K192 K193A185-A189 VanDerWaalsContact O-CB 3.32Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.34Å; E186-A189 PolarHBondContact O-N 2.91Å; A189-K192 PolarHBondContact O-N 3.23Å; A189-K193 WeakPolarHBondContact O-CB 3.42Å; A189-K193 PolarHBondContact O-N 3.33Å
190R90.6Very high86.8Confident187 Ų187118.7 Ų118.771%0.70658%0.576SS**Hα-helixtrans-65.4-45.2175.8-172178.9-178-179.41.3111.8E186 D187 E188 K193 A194E186-R190 WeakPolarHBondContact O-CB 3.24Å; E186-R190 PolarHBondContact O-N 2.87Å; D187-R190 PolarHBondContact O-N 3.01Å; E188-R190 VanDerWaalsContact C-N 3.31Å; E188-R190 PolarHBondContact O-N 3.45Å; R190-K193 PolarHBondContact O-N 2.88Å; R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.32Å
191K93.9Very high85.5Confident138 Ų138122.1 Ų122.160%0.659%0.59SS**Hα-helixtrans-59.3-47174.3-76.4170.3-176.1172.10110.8D187 E188 K193 A194 L195D187-K191 WeakPolarHBondContact O-CB 3.29Å; D187-K191 VanDerWaalsContact O-CG 3.24Å; D187-K191 WeakPolarHBondContact O-CG 3.43Å; D187-K191 PolarHBondContact O-N 2.97Å; E188-K191 PolarHBondContact O-N 2.89Å; K191-K193 PolarHBondContact O-N 3.44Å; K191-A194 PolarHBondContact O-N 3.45Å; K191-L195 WeakPolarHBondContact O-CB 3.32Å; K191-L195 WeakPolarHBondContact O-CG 3.33Å; K191-L195 PolarHBondContact O-N 3.39Å
192K93.4Very high84.2Confident164 Ų164120.5 Ų120.571%0.71360%0.596SS**Hα-helixtrans-60.8-42.8177-172.3175.8-178.2176.90111.8E188 A189 S196E188-K192 VanDerWaalsContact O-CB 3.29Å; E188-K192 WeakPolarHBondContact O-CB 3.34Å; E188-K192 PolarHBondContact O-N 2.82Å; A189-K192 PolarHBondContact O-N 3.23Å; K192-S196 VanDerWaalsContact O-CB 3.26Å; K192-S196 WeakPolarHBondContact O-CB 3.26Å; K192-S196 PolarHBondContact O-N 3.5Å
193K90.4Very high82.7Confident166 Ų166116.6 Ų116.672%0.72260%0.601SS**Hα-helixtrans-64.2-42.2175.3-172.5175.3-178.2176.80112A189 R190 K191 N197A189-K193 WeakPolarHBondContact O-CB 3.42Å; A189-K193 PolarHBondContact O-N 3.33Å; R190-K193 PolarHBondContact O-N 2.88Å; K191-K193 PolarHBondContact O-N 3.44Å; K193-N197 VanDerWaalsContact O-CB 3.27Å; K193-N197 WeakPolarHBondContact O-CB 3.36Å; K193-N197 PolarHBondContact O-N 3.4Å
194A88.9Confident81.3Confident60 Ų60118.2 Ų118.250%0.49661%0.609SS.*Hα-helixtrans-64.9-45.3176.900000112R190 K191 N197 M198R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.32Å; K191-A194 PolarHBondContact O-N 3.45Å; A194-N197 PolarHBondContact O-N 2.86Å; A194-M198 WeakPolarHBondContact O-CB 3.27Å; A194-M198 PolarHBondContact O-N 3.22Å
195L86.3Confident79.7Confident111 Ų111121.3 Ų121.358%0.58163%0.628SS**Hα-helixtrans-63.5-43.9176.2-75168.4000112K191 M198 M199K191-L195 WeakPolarHBondContact O-CB 3.32Å; K191-L195 WeakPolarHBondContact O-CG 3.33Å; K191-L195 PolarHBondContact O-N 3.39Å; L195-M198 PolarHBondContact O-N 2.91Å; L195-M199 PolarHBondContact O-N 3.44Å
196S84.4Confident77.8Confident56 Ų56130.9 Ų130.939%0.39266%0.663SS.*Hα-helixtrans-60.6-46.8174.1170.50000111.4K192 M198 M199 H200K192-S196 VanDerWaalsContact O-CB 3.26Å; K192-S196 WeakPolarHBondContact O-CB 3.26Å; K192-S196 PolarHBondContact O-N 3.5Å; S196-M198 VanDerWaalsContact C-N 3.33Å; S196-M198 PolarHBondContact O-N 2.88Å; S196-M199 PolarHBondContact O-N 3.42Å; S196-H200 PolarHBondContact O-CD2 2.91Å; S196-H200 PolarHBondContact O-N 3.26Å; S196-H200 PolarHBondContact OG-CD2 2.95Å; S196-H200 PolarHBondContact OG-NE2 2.9Å
197N80.4Confident77.2Confident117 Ų117131.6 Ų131.663%0.62667%0.669SS**Hα-helixtrans-63.9-36.6177.7-167.255.2000112.6K193 A194 H200 F201K193-N197 VanDerWaalsContact O-CB 3.27Å; K193-N197 WeakPolarHBondContact O-CB 3.36Å; K193-N197 PolarHBondContact O-N 3.4Å; A194-N197 PolarHBondContact O-N 2.86Å; N197-H200 PolarHBondContact O-N 3.27Å; N197-F201 PolarHBondContact O-N 3.15Å; N197-F201 VanDerWaalsContact O-N 3.15Å
198M77.9Confident76.5Confident145 Ų145134.8 Ų134.871%0.71469%0.685SS**Hα-helixtrans-67.2-41.5174.4-175.5178.4167.200112.1A194 L195 S196 H200 F201 G202A194-M198 WeakPolarHBondContact O-CB 3.27Å; A194-M198 PolarHBondContact O-N 3.22Å; L195-M198 PolarHBondContact O-N 2.91Å; S196-M198 VanDerWaalsContact C-N 3.33Å; S196-M198 PolarHBondContact O-N 2.88Å; M198-H200 VanDerWaalsContact C-N 3.34Å; M198-H200 PolarHBondContact O-N 3.29Å; M198-F201 PolarHBondContact O-N 3.5Å; M198-G202 PolarHBondContact O-N 3.42Å
199M74.3Confident75.7Confident166 Ų166134.9 Ų134.982%0.81869%0.688SS**Hα-helixtrans-65.7-34.5174-81-149.213600112.9L195 S196 F201 G202L195-M199 PolarHBondContact O-N 3.44Å; S196-M199 PolarHBondContact O-N 3.42Å; M199-F201 VanDerWaalsContact C-N 3.32Å; M199-F201 PolarHBondContact O-N 3.36Å; M199-G202 PolarHBondContact O-N 3.38Å
200H65.2Low74.8Confident133 Ų133139.4 Ų139.462%0.61670%0.7SS**Hα-helixtrans-71-25.3175.3-68.6-51.5000113.5S196 N197 M198S196-H200 PolarHBondContact O-CD2 2.91Å; S196-H200 PolarHBondContact O-N 3.26Å; S196-H200 PolarHBondContact OG-CD2 2.95Å; S196-H200 PolarHBondContact OG-NE2 2.9Å; N197-H200 PolarHBondContact O-N 3.27Å; M198-H200 VanDerWaalsContact C-N 3.34Å; M198-H200 PolarHBondContact O-N 3.29Å
201F58.7Low73.8Confident169 Ų169136.4 Ų136.474%0.74170%0.699SS**Hα-helixtrans-80.4-25.1175.6-167.6-103.4000113.1N197 M198 M199 G203N197-F201 PolarHBondContact O-N 3.15Å; N197-F201 VanDerWaalsContact O-N 3.15Å; M198-F201 PolarHBondContact O-N 3.5Å; M199-F201 VanDerWaalsContact C-N 3.32Å; M199-F201 PolarHBondContact O-N 3.36Å; F201-G203 VanDerWaalsContact C-N 3.29Å; F201-G203 PolarHBondContact O-N 2.9Å
202G59.2Low72.5Confident63 Ų63136.3 Ų136.365%0.64971%0.706SS**THydrogen-bonded Turntrans-74.7-8.9177.300000115.7M198 M199M198-G202 PolarHBondContact O-N 3.42Å; M199-G202 PolarHBondContact O-N 3.38Å
203G59.1Low71Confident64 Ų64134.3 Ų134.366%0.6671%0.705SS**THydrogen-bonded Turntrans-89.2-0.217800000115.1F201F201-G203 VanDerWaalsContact C-N 3.29Å; F201-G203 PolarHBondContact O-N 2.9Å
204Y58.5Low69.5Low209 Ų209131.8 Ų131.882%0.8270%0.704SS**  trans-98.918-175.8-102.2-86.8000114.3
205I57.9Low67.9Low163 Ų163137.8 Ų137.884%0.83672%0.721SS**  trans-115.983.1169.3-59.6179.5000107.8
206Q52.7Low66.2Low258 Ų258140.3 Ų140.3100%1.20673%0.734SS**  trans-1490160.7-169.1160.3-4.900110.1

Retrieved 206 of 206 residues in 44.7 ms (Link to these results)