A0A077YY24_TRITR Loading...

Protein toll

AlphaFold DB , UniProt , Accession A0A077YY24, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M53.7Low65.8Low107 Ų10775.9 Ų75.953%0.52740%0.403SS..  0142.80-91175.9-10100109.7W6 R10M1-W6 HydrophobicContact SD-CZ2 4.46Å; M1-R10 PolarHBondContact SD-NH2 2.84Å
2L56.1Low66.5Low123 Ų12371.1 Ų71.164%0.64438%0.377SS*.  trans-71.4143.4172.6-67.1167.1000109.6D4 Q5L2-D4 PolarHBondContact O-N 3.35Å; L2-D4 VanDerWaalsContact O-N 3.15Å; L2-Q5 HydrophobicContact CB-CG 4.49Å; L2-Q5 PolarHBondContact O-N 3.24Å
3A58.3Low67.6Low41 Ų4170.7 Ų70.734%0.33938%0.379SS..G310 helixtrans-55.7-31.9-179.400000112.3Q5 W6 A117A3-Q5 PolarHBondContact O-N 2.83Å; A3-Q5 VanDerWaalsContact O-N 3.16Å; A3-W6 PolarHBondContact O-N 2.64Å; A3-W6 VanDerWaalsContact O-N 3.16Å; A3-A117 HydrophobicContact CB-CB 4.26Å
4D57.9Low68.7Low151 Ų15166.5 Ų66.581%0.80736%0.358SS*.G310 helixtrans-67.6-13.6-179.2-51-25.5000113.9L2L2-D4 PolarHBondContact O-N 3.35Å; L2-D4 VanDerWaalsContact O-N 3.15Å
5Q67.2Low69.3Low99 Ų9962.3 Ų62.346%0.46334%0.335SS..G310 helixtrans-90-3.2177.5-63.9-176.2-14.600113.6L2 A3 R10L2-Q5 HydrophobicContact CB-CG 4.49Å; L2-Q5 PolarHBondContact O-N 3.24Å; A3-Q5 PolarHBondContact O-N 2.83Å; A3-Q5 VanDerWaalsContact O-N 3.16Å; Q5-R10 VanDerWaalsContact O-CD 3.31Å; Q5-R10 WeakPolarHBondContact O-CD 3.36Å; Q5-R10 PolarHBondContact O-NH1 3.06Å
6W67.9Low70Confident19 Ų1965.8 Ų65.87%0.07234%0.342CS..  trans-98.1105.6177.9-85.291.5000111.2M1 A3 R10 F11 T14 C110 G114 I118M1-W6 HydrophobicContact SD-CZ2 4.46Å; A3-W6 PolarHBondContact O-N 2.64Å; A3-W6 VanDerWaalsContact O-N 3.16Å; W6-R10 HydrophobicContact CE3-CG 4.28Å; W6-R10 HydrophobicContact CZ3-CG 4.32Å; W6-F11 HydrophobicContact CE3-CB 4.23Å; W6-F11 HydrophobicContact CZ3-CB 4.2Å; W6-F11 HydrophobicContact CZ3-CD2 4.2Å; W6-T14 HydrophobicContact CH2-CG2 4.49Å; W6-C110 WeakPolarHBondContact CH2-O 3.31Å; W6-C110 WeakPolarHBondContact CZ2-O 3.2Å; W6-G114 VanDerWaalsContact CD2-CA 3.45Å; W6-G114 VanDerWaalsContact NE1-CA 3.26Å; W6-I118 HydrophobicContact CB-CD1 3.36Å; W6-I118 HydrophobicContact CB-CG1 3.49Å; W6-I118 VanDerWaalsContact CB-CG1 3.49Å; W6-I118 HydrophobicContact CD2-CD1 4.05Å; W6-I118 HydrophobicContact CE3-CD1 3.93Å; W6-I118 HydrophobicContact CG-CD1 3.83Å; W6-I118 HydrophobicContact CG-CG1 4.09Å
7T70.3Confident71Confident79 Ų7967.1 Ų67.149%0.48535%0.346SS..  trans-96.8157.9170.863.40000110.4S9 R10 F11T7-S9 PolarHBondContact O-N 3.04Å; T7-R10 WeakPolarHBondContact O-CB 2.98Å; T7-R10 PolarHBondContact O-N 3.02Å; T7-R10 VanDerWaalsContact O-N 3.07Å; T7-R10 WeakPolarHBondContact OG1-CB 3.44Å; T7-R10 PolarHBondContact OG1-N 2.78Å; T7-R10 VanDerWaalsContact OG1-N 3.09Å; T7-F11 PolarHBondContact O-N 3.46Å
8E67.4Low71.8Confident55 Ų5563.4 Ų63.426%0.25733%0.327SS..Hα-helixtrans-56.1-38.2172.9-168.9170.817600110.8R10 F11 I12 R131 Q209 F213E8-R10 PolarHBondContact O-N 3.29Å; E8-F11 WeakPolarHBondContact O-CB 3.42Å; E8-F11 PolarHBondContact O-N 3.49Å; E8-I12 HydrophobicContact CG-CD1 4.12Å; E8-I12 WeakPolarHBondContact O-CD1 3.39Å; E8-I12 WeakPolarHBondContact O-CG1 3.18Å; E8-I12 PolarHBondContact O-N 3.19Å; E8-R131 IonicContact OE1-NH1 3.59Å; E8-R131 IonicContact OE2-NH1 3.45Å; E8-Q209 PolarHBondContact OE1-NE2 3.09Å; E8-F213 HydrophobicContact CB-CZ 4.36Å; E8-F213 HydrophobicContact CG-CE2 4.19Å; E8-F213 HydrophobicContact CG-CZ 3.81Å; E8-F213 WeakPolarHBondContact OE1-CZ 3.27Å; E8-F213 WeakPolarHBondContact OE2-CZ 3.44Å
9S73Confident72.4Confident72 Ų7260.3 Ų60.350%0.50331%0.311SS..Hα-helixtrans-60.6-44173.8177.90000113.2T7 I12 T13T7-S9 PolarHBondContact O-N 3.04Å; S9-I12 PolarHBondContact O-N 2.99Å; S9-T13 WeakPolarHBondContact O-CB 3.38Å; S9-T13 PolarHBondContact O-N 3.48Å; S9-T13 PolarHBondContact O-OG1 3.28Å
10R77.5Confident73Confident84 Ų8460.6 Ų60.632%0.31731%0.312SS..Hα-helixtrans-63-44.3175-173.2177.7-173.5164.85.7111M1 Q5 W6 T7 E8 I12 T13 T14M1-R10 PolarHBondContact SD-NH2 2.84Å; Q5-R10 VanDerWaalsContact O-CD 3.31Å; Q5-R10 WeakPolarHBondContact O-CD 3.36Å; Q5-R10 PolarHBondContact O-NH1 3.06Å; W6-R10 HydrophobicContact CE3-CG 4.28Å; W6-R10 HydrophobicContact CZ3-CG 4.32Å; T7-R10 WeakPolarHBondContact O-CB 2.98Å; T7-R10 PolarHBondContact O-N 3.02Å; T7-R10 VanDerWaalsContact O-N 3.07Å; T7-R10 WeakPolarHBondContact OG1-CB 3.44Å; T7-R10 PolarHBondContact OG1-N 2.78Å; T7-R10 VanDerWaalsContact OG1-N 3.09Å; E8-R10 PolarHBondContact O-N 3.29Å; R10-I12 PolarHBondContact O-N 2.98Å; R10-T13 PolarHBondContact O-N 3.35Å; R10-T14 PolarHBondContact O-N 2.89Å; R10-T14 PolarHBondContact O-OG1 3.5Å
11F74.9Confident73.8Confident5 Ų559.8 Ų59.82%0.02231%0.308CS..Hα-helixtrans-57.3-50.2176.5179.8-93.3000112.6W6 T7 E8 T13 T14 T15 L111 I138 F205W6-F11 HydrophobicContact CE3-CB 4.23Å; W6-F11 HydrophobicContact CZ3-CB 4.2Å; W6-F11 HydrophobicContact CZ3-CD2 4.2Å; T7-F11 PolarHBondContact O-N 3.46Å; E8-F11 WeakPolarHBondContact O-CB 3.42Å; E8-F11 PolarHBondContact O-N 3.49Å; F11-T13 VanDerWaalsContact C-N 3.33Å; F11-T13 PolarHBondContact O-N 3.18Å; F11-T14 PolarHBondContact O-N 3.4Å; F11-T15 WeakPolarHBondContact O-CB 3.45Å; F11-T15 PolarHBondContact O-N 3.04Å; F11-T15 PolarHBondContact O-OG1 3.08Å; F11-L111 HydrophobicContact CD2-CD2 4.13Å; F11-L111 HydrophobicContact CE2-CD2 3.99Å; F11-I138 HydrophobicContact CD1-CD1 4.42Å; F11-I138 HydrophobicContact CD2-CD1 4.47Å; F11-I138 HydrophobicContact CE1-CD1 3.65Å; F11-I138 HydrophobicContact CE1-CG1 3.91Å; F11-I138 HydrophobicContact CE2-CD1 3.71Å; F11-I138 HydrophobicContact CE2-CG1 4.19Å; F11-I138 HydrophobicContact CE2-CG2 3.72Å; F11-I138 HydrophobicContact CZ-CB 4.07Å; F11-I138 HydrophobicContact CZ-CD1 3.27Å; F11-I138 HydrophobicContact CZ-CG1 3.41Å; F11-I138 VanDerWaalsContact CZ-CG1 3.41Å; F11-I138 HydrophobicContact CZ-CG2 3.55Å; F11-F205 HydrophobicContact CE1-CE1 4.22Å
12I73.3Confident75.3Confident18 Ų1854.8 Ų54.89%0.09228%0.283CS..Hα-helixtrans-59-46.5177.1-66.7163.4000110.7E8 S9 R10 T15 R16 I206 Q209 F213E8-I12 HydrophobicContact CG-CD1 4.12Å; E8-I12 WeakPolarHBondContact O-CD1 3.39Å; E8-I12 WeakPolarHBondContact O-CG1 3.18Å; E8-I12 PolarHBondContact O-N 3.19Å; S9-I12 PolarHBondContact O-N 2.99Å; R10-I12 PolarHBondContact O-N 2.98Å; I12-T15 PolarHBondContact O-N 2.91Å; I12-R16 WeakPolarHBondContact O-CB 3.44Å; I12-R16 PolarHBondContact O-N 3.07Å; I12-I206 HydrophobicContact CG2-CB 4.31Å; I12-I206 HydrophobicContact CG2-CG1 4.22Å; I12-I206 HydrophobicContact CG2-CG2 3.66Å; I12-Q209 HydrophobicContact CD1-CB 3.96Å; I12-F213 HydrophobicContact CD1-CD2 3.79Å; I12-F213 HydrophobicContact CD1-CE2 3.6Å; I12-F213 HydrophobicContact CD1-CZ 4.5Å
13T80.8Confident76.7Confident66 Ų6652.9 Ų52.941%0.40527%0.267SS..Hα-helixtrans-64.9-46.3-177.2-58.10000111.9S9 R10 F11 T15 R16 Q17S9-T13 WeakPolarHBondContact O-CB 3.38Å; S9-T13 PolarHBondContact O-N 3.48Å; S9-T13 PolarHBondContact O-OG1 3.28Å; R10-T13 PolarHBondContact O-N 3.35Å; F11-T13 VanDerWaalsContact C-N 3.33Å; F11-T13 PolarHBondContact O-N 3.18Å; T13-T15 VanDerWaalsContact C-N 3.33Å; T13-T15 PolarHBondContact O-N 3.27Å; T13-R16 WeakPolarHBondContact O-CB 3.49Å; T13-R16 PolarHBondContact O-N 3.31Å; T13-Q17 WeakPolarHBondContact O-CG 3.42Å; T13-Q17 PolarHBondContact O-N 2.91Å
14T83.1Confident78.2Confident12 Ų1254.6 Ų54.67%0.07427%0.268CS..Hα-helixtrans-66.1-37.5177.4-520000111W6 R10 F11 R16 Q17 A18 C110 L111W6-T14 HydrophobicContact CH2-CG2 4.49Å; R10-T14 PolarHBondContact O-N 2.89Å; R10-T14 PolarHBondContact O-OG1 3.5Å; F11-T14 PolarHBondContact O-N 3.4Å; T14-R16 VanDerWaalsContact C-N 3.33Å; T14-R16 PolarHBondContact O-N 3.26Å; T14-Q17 PolarHBondContact O-N 3.28Å; T14-A18 WeakPolarHBondContact O-CB 3.15Å; T14-A18 PolarHBondContact O-N 3.19Å; T14-C110 HydrophobicContact CG2-CB 3.95Å; T14-L111 HydrophobicContact CG2-CD1 4.45Å; T14-L111 HydrophobicContact CG2-CD2 3.76Å; T14-L111 HydrophobicContact CG2-CG 3.65Å
15T78.7Confident79.8Confident3 Ų347.4 Ų47.42%0.01823%0.23CC..Hα-helixtrans-63.3-43.2176.6-54.60000110.4F11 I12 T13 Q17 A18 F19 L111 M141 T202 I206F11-T15 WeakPolarHBondContact O-CB 3.45Å; F11-T15 PolarHBondContact O-N 3.04Å; F11-T15 PolarHBondContact O-OG1 3.08Å; I12-T15 PolarHBondContact O-N 2.91Å; T13-T15 VanDerWaalsContact C-N 3.33Å; T13-T15 PolarHBondContact O-N 3.27Å; T15-Q17 PolarHBondContact O-N 3.49Å; T15-A18 PolarHBondContact O-N 2.99Å; T15-F19 HydrophobicContact CG2-CD2 4.13Å; T15-F19 HydrophobicContact CG2-CE2 4.26Å; T15-F19 WeakPolarHBondContact O-CD2 3.33Å; T15-F19 PolarHBondContact O-N 3.29Å; T15-F19 VanDerWaalsContact O-N 3.13Å; T15-L111 VanDerWaalsContact OG1-CD2 3.27Å; T15-L111 WeakPolarHBondContact OG1-CD2 3.35Å; T15-M141 HydrophobicContact CG2-SD 4.26Å; T15-T202 HydrophobicContact CG2-CG2 3.65Å; T15-I206 HydrophobicContact CG2-CD1 4.04Å
16R80.6Confident80.8Confident118 Ų11843 Ų4345%0.44521%0.209SC..Hα-helixtrans-58.3-49.2175.8-166.4178.7173.4172.2-0.1111.5I12 T13 T14 L20 W203 I206I12-R16 WeakPolarHBondContact O-CB 3.44Å; I12-R16 PolarHBondContact O-N 3.07Å; T13-R16 WeakPolarHBondContact O-CB 3.49Å; T13-R16 PolarHBondContact O-N 3.31Å; T14-R16 VanDerWaalsContact C-N 3.33Å; T14-R16 PolarHBondContact O-N 3.26Å; R16-L20 VanDerWaalsContact O-CB 3.22Å; R16-L20 WeakPolarHBondContact O-CB 3.49Å; R16-L20 PolarHBondContact O-N 2.83Å; R16-W203 HydrophobicContact CG-CH2 3.77Å; R16-W203 HydrophobicContact CG-CZ3 3.81Å; R16-W203 VanDerWaalsContact NE-CZ3 3.32Å; R16-I206 VanDerWaalsContact CA-CD1 3.4Å; R16-I206 HydrophobicContact CB-CD1 3.68Å; R16-I206 HydrophobicContact CB-CG2 4.38Å; R16-I206 HydrophobicContact CG-CD1 4.26Å; R16-I206 HydrophobicContact CG-CG2 4.38Å; R16-I206 VanDerWaalsContact N-CD1 3.32Å
17Q86.3Confident81.7Confident89 Ų8945.3 Ų45.342%0.41622%0.223SC..Hα-helixtrans-64.5-42.7-178.6-73.7175.8-21.100111.7T13 T14 T15 F19 L20 H21T13-Q17 WeakPolarHBondContact O-CG 3.42Å; T13-Q17 PolarHBondContact O-N 2.91Å; T14-Q17 PolarHBondContact O-N 3.28Å; T15-Q17 PolarHBondContact O-N 3.49Å; Q17-F19 PolarHBondContact O-N 2.97Å; Q17-L20 PolarHBondContact O-N 2.82Å; Q17-H21 PolarHBondContact O-CD2 2.95Å; Q17-H21 PolarHBondContact O-N 3.33Å
18A85.3Confident82.7Confident0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-61.3-48.1-179.600000112T14 T15 H21 A22 C107 L111 L145T14-A18 WeakPolarHBondContact O-CB 3.15Å; T14-A18 PolarHBondContact O-N 3.19Å; T15-A18 PolarHBondContact O-N 2.99Å; A18-H21 PolarHBondContact O-N 3.48Å; A18-A22 WeakPolarHBondContact O-CB 3.28Å; A18-A22 PolarHBondContact O-N 3.32Å; A18-C107 HydrophobicContact CB-CB 3.57Å; A18-L111 HydrophobicContact CB-CD1 3.61Å; A18-L145 HydrophobicContact CB-CD2 3.51Å
19F83.2Confident83.7Confident4 Ų439.8 Ų39.82%0.01820%0.195CC..Hα-helixtrans-72.2-29.2177.7-83.8-96.5000113.2T15 Q17 R23 M141 L145 I199 T202T15-F19 HydrophobicContact CG2-CD2 4.13Å; T15-F19 HydrophobicContact CG2-CE2 4.26Å; T15-F19 WeakPolarHBondContact O-CD2 3.33Å; T15-F19 PolarHBondContact O-N 3.29Å; T15-F19 VanDerWaalsContact O-N 3.13Å; Q17-F19 PolarHBondContact O-N 2.97Å; F19-R23 WeakPolarHBondContact O-CB 3.33Å; F19-R23 PolarHBondContact O-N 2.69Å; F19-M141 HydrophobicContact CE2-CB 4.25Å; F19-M141 HydrophobicContact CZ-CB 4.19Å; F19-M141 WeakPolarHBondContact CZ-O 3.45Å; F19-L145 HydrophobicContact CD2-CD2 4.43Å; F19-L145 HydrophobicContact CE2-CB 4.15Å; F19-L145 HydrophobicContact CE2-CD2 4.31Å; F19-L145 HydrophobicContact CZ-CB 4.06Å; F19-I199 HydrophobicContact CD1-CG1 4.09Å; F19-T202 HydrophobicContact CB-CG2 4.02Å; F19-T202 HydrophobicContact CD1-CG2 4.15Å; F19-T202 WeakPolarHBondContact CD1-OG1 3.31Å; F19-T202 HydrophobicContact CD2-CG2 3.49Å; F19-T202 VanDerWaalsContact CD2-CG2 3.49Å; F19-T202 HydrophobicContact CE1-CG2 4.5Å; F19-T202 WeakPolarHBondContact CE1-OG1 3.47Å; F19-T202 HydrophobicContact CE2-CG2 3.87Å; F19-T202 WeakPolarHBondContact CE2-OG1 3.4Å; F19-T202 HydrophobicContact CG-CG2 3.61Å; F19-T202 HydrophobicContact CZ-CG2 4.36Å; F19-T202 WeakPolarHBondContact CZ-OG1 3.36Å
20L85.2Confident84.4Confident66 Ų6637.9 Ų37.935%0.34618%0.182SC..Hα-helixtrans-64.1-46.6171.1179.465.5000111R16 Q17 R23 Q24 W203R16-L20 VanDerWaalsContact O-CB 3.22Å; R16-L20 WeakPolarHBondContact O-CB 3.49Å; R16-L20 PolarHBondContact O-N 2.83Å; Q17-L20 PolarHBondContact O-N 2.82Å; L20-R23 WeakPolarHBondContact O-CB 3.44Å; L20-R23 PolarHBondContact O-N 2.96Å; L20-Q24 VanDerWaalsContact O-CG 3.3Å; L20-Q24 WeakPolarHBondContact O-CG 3.36Å; L20-Q24 PolarHBondContact O-N 2.77Å; L20-W203 HydrophobicContact CD1-CZ2 4.36Å
21H88.7Confident84.8Confident45 Ų4540 Ų4021%0.20819%0.193CC..Hα-helixtrans-65.7-38.8176.7-68.3-43.1000112.2Q17 A18 R23 Q24 L25 A104Q17-H21 PolarHBondContact O-CD2 2.95Å; Q17-H21 PolarHBondContact O-N 3.33Å; A18-H21 PolarHBondContact O-N 3.48Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 2.72Å; H21-Q24 PolarHBondContact ND1-OE1 2.91Å; H21-Q24 PolarHBondContact O-N 3.13Å; H21-L25 WeakPolarHBondContact O-CB 3.2Å; H21-L25 PolarHBondContact O-N 3.41Å; H21-A104 HydrophobicContact CB-CB 3.66Å
22A85.5Confident85.3Confident2 Ų239.8 Ų39.82%0.01719%0.192CC..Hα-helixtrans-61.4-40.6172.300000111.9A18 L25 L26 L145 V148A18-A22 WeakPolarHBondContact O-CB 3.28Å; A18-A22 PolarHBondContact O-N 3.32Å; A22-L25 WeakPolarHBondContact O-CB 3.4Å; A22-L25 PolarHBondContact O-N 3.44Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 2.99Å; A22-L145 HydrophobicContact CB-CD1 3.61Å; A22-V148 HydrophobicContact CB-CG1 4.13Å
23R86.5Confident85.9Confident82 Ų8239.5 Ų39.531%0.30919%0.191SC..Hα-helixtrans-62-49.2174.2177.663.6-164.1-164.810.6111.8F19 L20 H21 L25 L26 D27 N196 I199F19-R23 WeakPolarHBondContact O-CB 3.33Å; F19-R23 PolarHBondContact O-N 2.69Å; L20-R23 WeakPolarHBondContact O-CB 3.44Å; L20-R23 PolarHBondContact O-N 2.96Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 2.72Å; R23-L25 VanDerWaalsContact C-N 3.26Å; R23-L25 PolarHBondContact O-N 2.91Å; R23-L26 WeakPolarHBondContact O-CB 3.36Å; R23-L26 PolarHBondContact O-N 3.45Å; R23-L26 VanDerWaalsContact O-N 3.11Å; R23-D27 IonicContact CZ-OD1 3.75Å; R23-D27 VanDerWaalsContact CZ-OD1 3.25Å; R23-D27 IonicContact CZ-OD2 2.63Å; R23-D27 IonicContact NE-OD1 3.6Å; R23-D27 PolarHBondContact NE-OD1 3.34Å; R23-D27 VanDerWaalsContact NE-OD1 3.1Å; R23-D27 IonicContact NE-OD2 3.61Å; R23-D27 PolarHBondContact NE-OD2 3.44Å; R23-D27 IonicContact NH2-OD1 3.82Å; R23-D27 PolarHBondContact NH2-OD1 2.85Å; R23-D27 IonicContact NH2-OD2 3.64Å; R23-D27 PolarHBondContact O-N 3.43Å; R23-N196 PolarHBondContact NH1-OD1 2.78Å; R23-I199 HydrophobicContact CB-CD1 3.97Å; R23-I199 HydrophobicContact CG-CD1 4.49Å
24Q89.9Confident86Confident77 Ų7741.8 Ų41.836%0.3620%0.2SC..Hα-helixtrans-58.3-40.7177.6-72172.1-34.600111.5L20 H21 D27 A28 L100L20-Q24 VanDerWaalsContact O-CG 3.3Å; L20-Q24 WeakPolarHBondContact O-CG 3.36Å; L20-Q24 PolarHBondContact O-N 2.77Å; H21-Q24 PolarHBondContact ND1-OE1 2.91Å; H21-Q24 PolarHBondContact O-N 3.13Å; Q24-D27 PolarHBondContact O-N 2.94Å; Q24-A28 WeakPolarHBondContact O-CB 3.26Å; Q24-A28 PolarHBondContact O-N 2.85Å; Q24-L100 HydrophobicContact CB-CD1 4.17Å; Q24-L100 HydrophobicContact CB-CD2 3.8Å
25L90.6Very high86Confident0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-60.6-45.6174.6177.658000111.5H21 A22 R23 D27 A28 L29 C97 L100 A101 L149 C152H21-L25 WeakPolarHBondContact O-CB 3.2Å; H21-L25 PolarHBondContact O-N 3.41Å; A22-L25 WeakPolarHBondContact O-CB 3.4Å; A22-L25 PolarHBondContact O-N 3.44Å; R23-L25 VanDerWaalsContact C-N 3.26Å; R23-L25 PolarHBondContact O-N 2.91Å; L25-D27 PolarHBondContact O-N 2.88Å; L25-A28 PolarHBondContact O-N 3.19Å; L25-L29 HydrophobicContact CD1-CD1 4.41Å; L25-L29 HydrophobicContact CD1-CG 4.38Å; L25-L29 HydrophobicContact CG-CD1 4.42Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.31Å; L25-C97 HydrophobicContact CD1-CB 3.91Å; L25-C97 VanDerWaalsContact CD1-O 3.24Å; L25-C97 WeakPolarHBondContact CD1-O 3.47Å; L25-L100 HydrophobicContact CB-CB 4.11Å; L25-L100 HydrophobicContact CD1-CB 4.21Å; L25-A101 HydrophobicContact CD1-CB 4.36Å; L25-A101 HydrophobicContact CD2-CB 3.89Å; L25-L149 HydrophobicContact CD2-CD2 4.22Å; L25-C152 HydrophobicContact CD1-CB 4.47Å; L25-C152 HydrophobicContact CD2-CB 3.41Å; L25-C152 VanDerWaalsContact CD2-CB 3.41Å; L25-C152 HydrophobicContact CG-CB 3.84Å
26L87.8Confident86.2Confident6 Ų643.6 Ų43.63%0.03122%0.218CC..Hα-helixtrans-63.6-41.4177.5-68.6171.7000112.6A22 R23 L29 S30 V148 C152 R187 M195 I199A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 2.99Å; R23-L26 WeakPolarHBondContact O-CB 3.36Å; R23-L26 PolarHBondContact O-N 3.45Å; R23-L26 VanDerWaalsContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 3.2Å; L26-S30 PolarHBondContact O-N 3.26Å; L26-S30 PolarHBondContact O-OG 3.01Å; L26-V148 HydrophobicContact CD1-CG1 4.37Å; L26-V148 HydrophobicContact CD2-CG1 4.4Å; L26-V148 HydrophobicContact CG-CG1 4.42Å; L26-C152 WeakPolarHBondContact CD2-SG 3.47Å; L26-R187 VanDerWaalsContact CD2-NH1 3.29Å; L26-R187 PolarHBondContact O-NH1 3.05Å; L26-R187 PolarHBondContact O-NH2 3.49Å; L26-M195 HydrophobicContact CD1-CB 3.74Å; L26-M195 HydrophobicContact CD1-CG 4.4Å; L26-M195 HydrophobicContact CD1-SD 4.15Å; L26-M195 HydrophobicContact CD2-CE 4.11Å; L26-M195 HydrophobicContact CD2-CG 4.49Å; L26-M195 HydrophobicContact CD2-SD 3.29Å; L26-M195 WeakPolarHBondContact CD2-SD 3.41Å; L26-M195 HydrophobicContact CG-SD 4.37Å; L26-I199 HydrophobicContact CD1-CD1 3.65Å
27D88.4Confident86.4Confident69 Ų6939 Ų3937%0.36920%0.202SC..Hα-helixtrans-66.8-38.5178-67.6-32.9000110.8R23 Q24 L25 S30 K31R23-D27 IonicContact CZ-OD1 3.75Å; R23-D27 VanDerWaalsContact CZ-OD1 3.25Å; R23-D27 IonicContact CZ-OD2 2.63Å; R23-D27 IonicContact NE-OD1 3.6Å; R23-D27 PolarHBondContact NE-OD1 3.34Å; R23-D27 VanDerWaalsContact NE-OD1 3.1Å; R23-D27 IonicContact NE-OD2 3.61Å; R23-D27 PolarHBondContact NE-OD2 3.44Å; R23-D27 IonicContact NH2-OD1 3.82Å; R23-D27 PolarHBondContact NH2-OD1 2.85Å; R23-D27 IonicContact NH2-OD2 3.64Å; R23-D27 PolarHBondContact O-N 3.43Å; Q24-D27 PolarHBondContact O-N 2.94Å; L25-D27 PolarHBondContact O-N 2.88Å; D27-S30 PolarHBondContact O-N 3.42Å; D27-K31 PolarHBondContact O-N 3.45Å
28A90.6Very high86.3Confident18 Ų1840.5 Ų40.515%0.14921%0.213CC..Hα-helixtrans-64.3-42.8174.300000112Q24 L25 S30 K31 I32 L100Q24-A28 WeakPolarHBondContact O-CB 3.26Å; Q24-A28 PolarHBondContact O-N 2.85Å; L25-A28 PolarHBondContact O-N 3.19Å; A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.37Å; A28-K31 WeakPolarHBondContact O-CB 3.46Å; A28-K31 PolarHBondContact O-N 3.32Å; A28-I32 WeakPolarHBondContact O-CG1 3.36Å; A28-I32 PolarHBondContact O-N 3.35Å; A28-I32 VanDerWaalsContact O-N 3.17Å; A28-L100 HydrophobicContact CB-CD1 3.88Å
29L88.7Confident86.4Confident0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-64-38.2173.4-70.2177.6000112.1L25 L26 K31 I32 E33 C97 C152 V156L25-L29 HydrophobicContact CD1-CD1 4.41Å; L25-L29 HydrophobicContact CD1-CG 4.38Å; L25-L29 HydrophobicContact CG-CD1 4.42Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.31Å; L26-L29 PolarHBondContact O-N 3.2Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 2.93Å; L29-I32 HydrophobicContact CD2-CD1 4.35Å; L29-I32 WeakPolarHBondContact O-CB 3.38Å; L29-I32 PolarHBondContact O-N 2.92Å; L29-E33 PolarHBondContact O-N 3.44Å; L29-C97 HydrophobicContact CD2-CB 4.27Å; L29-C152 HydrophobicContact CD1-CB 3.75Å; L29-V156 HydrophobicContact CD2-CG2 4.04Å
30S87.7Confident86.5Confident32 Ų3243.1 Ų43.122%0.22423%0.229CC..Hα-helixtrans-66-38176.1-60.80000111.5L26 D27 A28 I32 E33 D34 R187L26-S30 PolarHBondContact O-N 3.26Å; L26-S30 PolarHBondContact O-OG 3.01Å; D27-S30 PolarHBondContact O-N 3.42Å; A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.37Å; S30-I32 VanDerWaalsContact C-N 3.28Å; S30-I32 PolarHBondContact O-N 2.72Å; S30-E33 WeakPolarHBondContact O-CB 3.38Å; S30-E33 PolarHBondContact O-N 3.02Å; S30-E33 VanDerWaalsContact O-N 3.16Å; S30-D34 PolarHBondContact O-N 2.9Å; S30-R187 PolarHBondContact OG-NH2 3.05Å
31K86.3Confident86.6Confident128 Ų12842.5 Ų42.556%0.55723%0.226SC*.Hα-helixtrans-60.3-39.8174.4-176.4-168.5169.1-140.40111.6D27 A28 L29 G35 D93D27-K31 PolarHBondContact O-N 3.45Å; A28-K31 WeakPolarHBondContact O-CB 3.46Å; A28-K31 PolarHBondContact O-N 3.32Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 2.93Å; K31-G35 PolarHBondContact O-N 3.24Å; K31-D93 IonicContact NZ-OD1 2.76Å; K31-D93 PolarHBondContact NZ-OD1 2.99Å
32I85.5Confident86.6Confident0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-62.9-46.9174.3-67173.1000110A28 L29 S30 H36 D93 L94A28-I32 WeakPolarHBondContact O-CG1 3.36Å; A28-I32 PolarHBondContact O-N 3.35Å; A28-I32 VanDerWaalsContact O-N 3.17Å; L29-I32 HydrophobicContact CD2-CD1 4.35Å; L29-I32 WeakPolarHBondContact O-CB 3.38Å; L29-I32 PolarHBondContact O-N 2.92Å; S30-I32 VanDerWaalsContact C-N 3.28Å; S30-I32 PolarHBondContact O-N 2.72Å; I32-H36 VanDerWaalsContact O-CB 3.25Å; I32-H36 WeakPolarHBondContact O-CB 3.32Å; I32-H36 PolarHBondContact O-CD2 3.13Å; I32-H36 VanDerWaalsContact O-CD2 3.28Å; I32-H36 PolarHBondContact O-N 2.97Å; I32-H36 VanDerWaalsContact O-N 3.14Å; I32-D93 HydrophobicContact CD1-CB 3.67Å; I32-D93 HydrophobicContact CG1-CB 3.48Å; I32-D93 VanDerWaalsContact CG1-CB 3.48Å; I32-L94 HydrophobicContact CD1-CD2 4.04Å; I32-L94 HydrophobicContact CD1-CG 4.38Å
33E84Confident86.7Confident13 Ų1343.2 Ų43.26%0.06124%0.236CC..Hα-helixtrans-61.3-52.1178.3-73.9170.1-136.300112L29 S30 L37 R159 W185 R187L29-E33 PolarHBondContact O-N 3.44Å; S30-E33 WeakPolarHBondContact O-CB 3.38Å; S30-E33 PolarHBondContact O-N 3.02Å; S30-E33 VanDerWaalsContact O-N 3.16Å; E33-L37 WeakPolarHBondContact O-CB 3.23Å; E33-L37 WeakPolarHBondContact O-CD1 3.04Å; E33-L37 WeakPolarHBondContact O-CG 3.41Å; E33-L37 PolarHBondContact O-N 3.09Å; E33-R159 IonicContact OE1-NH2 3.85Å; E33-R159 PolarHBondContact OE1-NH2 3.48Å; E33-W185 WeakPolarHBondContact CG-O 3.3Å; E33-R187 IonicContact OE1-CZ 2.81Å; E33-R187 IonicContact OE1-NE 3.1Å; E33-R187 PolarHBondContact OE1-NE 3.41Å; E33-R187 IonicContact OE1-NH2 3.25Å; E33-R187 PolarHBondContact OE1-NH2 3.18Å; E33-R187 PolarHBondContact OE2-N 3.31Å; E33-R187 IonicContact OE2-NE 2.98Å; E33-R187 IonicContact OE2-NH2 3.1Å
34D82.9Confident86.6Confident113 Ų11340.7 Ų40.760%0.60423%0.228SC*.Hα-helixtrans-74.8-41-173.4-63.7-33000111.7S30S30-D34 PolarHBondContact O-N 2.9Å
35G83.2Confident86.5Confident38 Ų3841.1 Ų41.139%0.39223%0.233SC..Hα-helixtrans-78-41.5-17500000114.6K31 T39K31-G35 PolarHBondContact O-N 3.24Å; G35-T39 PolarHBondContact O-OG1 3.18Å
36H84.5Confident86.2Confident15 Ų1542.2 Ų42.27%0.06924%0.238CC..Hα-helixtrans-81.4-27.7-175.5-63.6-49.5000112.4I32 D38 T39 I40 L86 I90 D93 W185I32-H36 VanDerWaalsContact O-CB 3.25Å; I32-H36 WeakPolarHBondContact O-CB 3.32Å; I32-H36 PolarHBondContact O-CD2 3.13Å; I32-H36 VanDerWaalsContact O-CD2 3.28Å; I32-H36 PolarHBondContact O-N 2.97Å; I32-H36 VanDerWaalsContact O-N 3.14Å; H36-D38 PolarHBondContact O-N 3.4Å; H36-T39 WeakPolarHBondContact O-CB 3.43Å; H36-T39 PolarHBondContact O-N 2.95Å; H36-I40 VanDerWaalsContact O-CG1 3.28Å; H36-I40 WeakPolarHBondContact O-CG1 3.47Å; H36-I40 PolarHBondContact O-N 3.42Å; H36-L86 HydrophobicContact CB-CD1 3.88Å; H36-L86 VanDerWaalsContact ND1-CD1 3.33Å; H36-L86 WeakPolarHBondContact ND1-CD1 3.35Å; H36-I90 HydrophobicContact CB-CG1 4.27Å; H36-D93 IonicContact CD2-OD2 2.77Å; H36-D93 IonicContact CE1-OD2 3.13Å; H36-D93 PolarHBondContact CE1-OD2 2.86Å; H36-D93 IonicContact NE2-OD2 2.65Å; H36-D93 PolarHBondContact NE2-OD2 3.28Å; H36-W185 HydrophobicContact CB-CZ3 4.18Å
37L83.6Confident86Confident22 Ų2243 Ų4312%0.11524%0.242CC..Hα-helixtrans-63.7-41.6178.6-72.9-176.8000112.8E33 T39 I40 D41 K182 W185E33-L37 WeakPolarHBondContact O-CB 3.23Å; E33-L37 WeakPolarHBondContact O-CD1 3.04Å; E33-L37 WeakPolarHBondContact O-CG 3.41Å; E33-L37 PolarHBondContact O-N 3.09Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 2.63Å; L37-I40 HydrophobicContact CD2-CD1 4.25Å; L37-I40 PolarHBondContact O-N 3.49Å; L37-D41 PolarHBondContact O-N 3.33Å; L37-K182 HydrophobicContact CD2-CB 3.63Å; L37-K182 HydrophobicContact CD2-CD 3.97Å; L37-K182 HydrophobicContact CD2-CG 3.45Å; L37-K182 VanDerWaalsContact CD2-CG 3.45Å; L37-W185 HydrophobicContact CD2-CE3 4.33Å
38D84.8Confident85.8Confident120 Ų12045.1 Ų45.164%0.64225%0.251SS*.Hα-helixtrans-62.6-37.6174.7-75.1-9.7000111.4H36 D41 S42H36-D38 PolarHBondContact O-N 3.4Å; D38-D41 PolarHBondContact O-N 3.15Å; D38-S42 PolarHBondContact O-N 3.16Å
39T87.2Confident85.3Confident57 Ų5749.5 Ų49.535%0.3527%0.269SS..Hα-helixtrans-68.5-41.3176.9-560000111.4G35 H36 L37 S42 I43 L86G35-T39 PolarHBondContact O-OG1 3.18Å; H36-T39 WeakPolarHBondContact O-CB 3.43Å; H36-T39 PolarHBondContact O-N 2.95Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 2.63Å; T39-S42 WeakPolarHBondContact O-CB 3.33Å; T39-S42 PolarHBondContact O-N 3.38Å; T39-I43 HydrophobicContact CG2-CD1 4.15Å; T39-I43 WeakPolarHBondContact O-CG1 3.5Å; T39-I43 PolarHBondContact O-N 3.04Å; T39-L86 HydrophobicContact CG2-CB 4.32Å; T39-L86 HydrophobicContact CG2-CD1 3.91Å; T39-L86 HydrophobicContact CG2-CD2 4.29Å; T39-L86 HydrophobicContact CG2-CG 4.39Å
40I85.8Confident84.9Confident2 Ų249.9 Ų49.91%0.0127%0.27CS..Hα-helixtrans-60.7-44.7174.5-69.9165.5000110.4H36 L37 S42 I43 I44 L86 L178 W185H36-I40 VanDerWaalsContact O-CG1 3.28Å; H36-I40 WeakPolarHBondContact O-CG1 3.47Å; H36-I40 PolarHBondContact O-N 3.42Å; L37-I40 HydrophobicContact CD2-CD1 4.25Å; L37-I40 PolarHBondContact O-N 3.49Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.34Å; I40-I43 PolarHBondContact O-N 3.43Å; I40-I44 HydrophobicContact CG2-CD1 3.71Å; I40-I44 HydrophobicContact CG2-CG1 4.33Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.31Å; I40-I44 PolarHBondContact O-N 2.98Å; I40-L86 HydrophobicContact CG1-CD2 3.6Å; I40-L178 HydrophobicContact CD1-CB 4.45Å; I40-L178 HydrophobicContact CD1-CD2 4.05Å; I40-L178 HydrophobicContact CG1-CB 4.43Å; I40-L178 HydrophobicContact CG1-CD2 4.36Å; I40-L178 HydrophobicContact CG2-CB 4.26Å; I40-W185 HydrophobicContact CD1-CE3 4.44Å; I40-W185 HydrophobicContact CD1-CH2 4.48Å; I40-W185 HydrophobicContact CD1-CZ3 3.91Å
41D86.5Confident84.5Confident54 Ų5450.2 Ų50.229%0.28927%0.273SS..Hα-helixtrans-62.3-40.4177.4-77.1-19.6000112.3L37 D38 I43 I44 N45 K182L37-D41 PolarHBondContact O-N 3.33Å; D38-D41 PolarHBondContact O-N 3.15Å; D41-I43 VanDerWaalsContact C-N 3.35Å; D41-I43 PolarHBondContact O-N 3.36Å; D41-I44 PolarHBondContact O-N 2.91Å; D41-N45 WeakPolarHBondContact O-CB 3.42Å; D41-N45 VanDerWaalsContact O-CG 3.24Å; D41-N45 PolarHBondContact O-N 3.47Å; D41-N45 PolarHBondContact O-ND2 2.88Å; D41-N45 VanDerWaalsContact O-ND2 3.09Å; D41-K182 IonicContact OD1-NZ 3.85Å; D41-K182 PolarHBondContact OD1-NZ 3.2Å; D41-K182 IonicContact OD2-NZ 3.39Å; D41-K182 PolarHBondContact OD2-NZ 3.42Å
42S88.7Confident84.1Confident58 Ų5848.2 Ų48.241%0.40627%0.274SS..Hα-helixtrans-60.8-42.5173.5-174.30000112.4D38 T39 I40 N45 Q46D38-S42 PolarHBondContact O-N 3.16Å; T39-S42 WeakPolarHBondContact O-CB 3.33Å; T39-S42 PolarHBondContact O-N 3.38Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.34Å; S42-N45 PolarHBondContact O-N 3.17Å; S42-Q46 WeakPolarHBondContact O-CG 3.36Å; S42-Q46 PolarHBondContact O-N 3.22Å
43I87.8Confident83.4Confident3 Ų350.2 Ų50.22%0.01529%0.286CS..Hα-helixtrans-65.9-44.3177.3-70.2167.3000111.1T39 I40 D41 N45 Q46 L47 I79 H82 V83 L86 I175T39-I43 HydrophobicContact CG2-CD1 4.15Å; T39-I43 WeakPolarHBondContact O-CG1 3.5Å; T39-I43 PolarHBondContact O-N 3.04Å; I40-I43 PolarHBondContact O-N 3.43Å; D41-I43 VanDerWaalsContact C-N 3.35Å; D41-I43 PolarHBondContact O-N 3.36Å; I43-N45 VanDerWaalsContact C-N 3.31Å; I43-N45 PolarHBondContact O-N 2.89Å; I43-Q46 PolarHBondContact O-N 3.46Å; I43-L47 PolarHBondContact O-N 3.29Å; I43-I79 HydrophobicContact CG2-CG2 4.23Å; I43-H82 HydrophobicContact CD1-CB 4.18Å; I43-H82 HydrophobicContact CG1-CB 4Å; I43-V83 HydrophobicContact CD1-CG2 4.07Å; I43-V83 HydrophobicContact CG2-CG2 3.76Å; I43-L86 HydrophobicContact CD1-CB 4.29Å; I43-L86 HydrophobicContact CD1-CD2 3.66Å; I43-I175 HydrophobicContact CG2-CD1 3.69Å; I43-I175 HydrophobicContact CG2-CG1 3.69Å; I43-I175 HydrophobicContact CG2-CG2 4.46Å
44I85.5Confident82.8Confident30 Ų3054.4 Ų54.415%0.15431%0.305CS..Hα-helixtrans-60.4-43.3176.7-68.9166.9000110.4I40 D41 Q46 L47 M48 I175 K179I40-I44 HydrophobicContact CG2-CD1 3.71Å; I40-I44 HydrophobicContact CG2-CG1 4.33Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.31Å; I40-I44 PolarHBondContact O-N 2.98Å; D41-I44 PolarHBondContact O-N 2.91Å; I44-Q46 VanDerWaalsContact C-N 3.33Å; I44-Q46 PolarHBondContact O-N 2.9Å; I44-L47 PolarHBondContact O-N 3.27Å; I44-M48 HydrophobicContact CG2-SD 4.49Å; I44-M48 PolarHBondContact O-N 2.89Å; I44-I175 HydrophobicContact CG1-CG2 3.89Å; I44-K179 HydrophobicContact CD1-CB 3.91Å; I44-K179 HydrophobicContact CD1-CD 4.48Å; I44-K179 HydrophobicContact CD1-CG 4.02Å
45N87Confident82.2Confident85 Ų8557.4 Ų57.446%0.45531%0.313SS..Hα-helixtrans-62.6-38.9176.8-74.9-34.2000112.2D41 S42 I43 M48 Q49D41-N45 WeakPolarHBondContact O-CB 3.42Å; D41-N45 VanDerWaalsContact O-CG 3.24Å; D41-N45 PolarHBondContact O-N 3.47Å; D41-N45 PolarHBondContact O-ND2 2.88Å; D41-N45 VanDerWaalsContact O-ND2 3.09Å; S42-N45 PolarHBondContact O-N 3.17Å; I43-N45 VanDerWaalsContact C-N 3.31Å; I43-N45 PolarHBondContact O-N 2.89Å; N45-M48 PolarHBondContact O-N 2.51Å; N45-Q49 WeakPolarHBondContact O-CG 3.47Å; N45-Q49 PolarHBondContact O-N 2.8Å
46Q85Confident81.4Confident23 Ų2357.9 Ų57.911%0.10731%0.314CS..Hα-helixtrans-65.9-38.9174.3-70.7169.119.700111.8S42 I43 I44 Q49 K50 I79 H82S42-Q46 WeakPolarHBondContact O-CG 3.36Å; S42-Q46 PolarHBondContact O-N 3.22Å; I43-Q46 PolarHBondContact O-N 3.46Å; I44-Q46 VanDerWaalsContact C-N 3.33Å; I44-Q46 PolarHBondContact O-N 2.9Å; Q46-Q49 WeakPolarHBondContact O-CB 3.18Å; Q46-Q49 PolarHBondContact O-N 3.07Å; Q46-K50 PolarHBondContact O-N 2.83Å; Q46-I79 HydrophobicContact CB-CD1 4.1Å; Q46-I79 HydrophobicContact CB-CG1 3.78Å; Q46-H82 PolarHBondContact NE2-CE1 3.04Å; Q46-H82 PolarHBondContact NE2-ND1 2.83Å; Q46-H82 PolarHBondContact OE1-CE1 2.96Å; Q46-H82 PolarHBondContact OE1-ND1 3.1Å
47L83.5Confident80.2Confident22 Ų2263.6 Ų63.612%0.11535%0.345CS..Hα-helixtrans-64.6-42.1175.1-173.866.6000111.5I43 I44 Q49 K50 S51 I79 E172 I175I43-L47 PolarHBondContact O-N 3.29Å; I44-L47 PolarHBondContact O-N 3.27Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.35Å; L47-K50 HydrophobicContact CD1-CD 4.3Å; L47-K50 WeakPolarHBondContact O-CB 3.47Å; L47-K50 PolarHBondContact O-N 3.08Å; L47-S51 PolarHBondContact O-N 3.15Å; L47-S51 PolarHBondContact O-OG 3.04Å; L47-I79 HydrophobicContact CB-CD1 4.43Å; L47-I79 HydrophobicContact CD1-CD1 4.38Å; L47-E172 HydrophobicContact CD1-CG 4.32Å; L47-I175 HydrophobicContact CB-CD1 4.24Å; L47-I175 HydrophobicContact CD1-CD1 4.22Å; L47-I175 HydrophobicContact CD2-CB 4.04Å; L47-I175 HydrophobicContact CD2-CD1 3.9Å; L47-I175 HydrophobicContact CD2-CG2 3.65Å; L47-I175 HydrophobicContact CG-CD1 4.35Å
48M83Confident79.1Confident114 Ų11465 Ų6556%0.56235%0.352SS*.Hα-helixtrans-60.1-41.1173.1-75.617945.400112I44 N45 S51 C52I44-M48 HydrophobicContact CG2-SD 4.49Å; I44-M48 PolarHBondContact O-N 2.89Å; N45-M48 PolarHBondContact O-N 2.51Å; M48-S51 PolarHBondContact O-N 3.31Å; M48-C52 PolarHBondContact O-N 2.85Å; M48-C52 PolarHBondContact O-SG 3.44Å
49Q80.8Confident77.9Confident111 Ų11163.3 Ų63.352%0.51935%0.35SS..Hα-helixtrans-61-43.8174.6-72.2171.3500111.8N45 Q46 L47 C52 V53N45-Q49 WeakPolarHBondContact O-CG 3.47Å; N45-Q49 PolarHBondContact O-N 2.8Å; Q46-Q49 WeakPolarHBondContact O-CB 3.18Å; Q46-Q49 PolarHBondContact O-N 3.07Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.35Å; Q49-C52 PolarHBondContact O-N 3.28Å; Q49-V53 WeakPolarHBondContact O-CG2 3.46Å; Q49-V53 PolarHBondContact O-N 3.04Å
50K80.7Confident76.6Confident7 Ų768.6 Ų68.63%0.0337%0.37CS..Hα-helixtrans-56.1-51.2172.6174.3-172.7171.7-80.70110.8Q46 L47 C52 V53 E54 L75 L76 I79 E172Q46-K50 PolarHBondContact O-N 2.83Å; L47-K50 HydrophobicContact CD1-CD 4.3Å; L47-K50 WeakPolarHBondContact O-CB 3.47Å; L47-K50 PolarHBondContact O-N 3.08Å; K50-C52 VanDerWaalsContact C-N 3.28Å; K50-C52 PolarHBondContact O-N 3.03Å; K50-V53 WeakPolarHBondContact O-CB 3.46Å; K50-V53 PolarHBondContact O-N 3.3Å; K50-V53 VanDerWaalsContact O-N 3.08Å; K50-E54 WeakPolarHBondContact CE-OE1 3.14Å; K50-E54 IonicContact NZ-OE1 3.93Å; K50-E54 PolarHBondContact NZ-OE1 2.65Å; K50-E54 IonicContact NZ-OE2 2.81Å; K50-E54 PolarHBondContact NZ-OE2 3.04Å; K50-E54 WeakPolarHBondContact O-CG 3.48Å; K50-E54 PolarHBondContact O-N 3.17Å; K50-L75 HydrophobicContact CB-CB 4.34Å; K50-L75 HydrophobicContact CB-CD1 4.32Å; K50-L76 HydrophobicContact CD-CB 4.31Å; K50-L76 HydrophobicContact CD-CD1 4.35Å; K50-I79 HydrophobicContact CB-CD1 4.37Å; K50-E172 IonicContact NZ-OE1 2.97Å; K50-E172 PolarHBondContact NZ-OE1 3.26Å
51S78.7Confident75.5Confident40 Ų4070.7 Ų70.728%0.2839%0.385SS..Hα-helixtrans-61.9-33.4179.5-60.80000113.2L47 M48 E54 K55L47-S51 PolarHBondContact O-N 3.15Å; L47-S51 PolarHBondContact O-OG 3.04Å; M48-S51 PolarHBondContact O-N 3.31Å; S51-E54 PolarHBondContact O-N 3.31Å; S51-K55 WeakPolarHBondContact O-CB 3.31Å; S51-K55 VanDerWaalsContact O-CG 3.27Å; S51-K55 WeakPolarHBondContact O-CG 3.36Å; S51-K55 PolarHBondContact O-N 3.3Å
52C76.7Confident74.7Confident85 Ų8575.9 Ų75.957%0.57441%0.408SS*.Hα-helixtrans-66.9-38.3173.8-71.70000112.2M48 Q49 K50 A56M48-C52 PolarHBondContact O-N 2.85Å; M48-C52 PolarHBondContact O-SG 3.44Å; Q49-C52 PolarHBondContact O-N 3.28Å; K50-C52 VanDerWaalsContact C-N 3.28Å; K50-C52 PolarHBondContact O-N 3.03Å; C52-A56 PolarHBondContact O-N 3.43Å
53V72.7Confident73.4Confident42 Ų4279.5 Ų79.526%0.25542%0.421SS..Hα-helixtrans-66.7-40.4175.11740000111Q49 K50 V71 L75Q49-V53 WeakPolarHBondContact O-CG2 3.46Å; Q49-V53 PolarHBondContact O-N 3.04Å; K50-V53 WeakPolarHBondContact O-CB 3.46Å; K50-V53 PolarHBondContact O-N 3.3Å; K50-V53 VanDerWaalsContact O-N 3.08Å; V53-V71 HydrophobicContact CG1-CB 4.33Å; V53-V71 HydrophobicContact CG1-CG1 4.03Å; V53-V71 HydrophobicContact CG2-CG1 4.26Å; V53-L75 HydrophobicContact CG2-CD1 4.31Å
54E71.1Confident72.1Confident101 Ų10186.7 Ų86.747%0.47245%0.449SS..Hα-helixtrans-69.3-32.9178.6-70.1173.3151.100113K50 S51 A72K50-E54 WeakPolarHBondContact CE-OE1 3.14Å; K50-E54 IonicContact NZ-OE1 3.93Å; K50-E54 PolarHBondContact NZ-OE1 2.65Å; K50-E54 IonicContact NZ-OE2 2.81Å; K50-E54 PolarHBondContact NZ-OE2 3.04Å; K50-E54 WeakPolarHBondContact O-CG 3.48Å; K50-E54 PolarHBondContact O-N 3.17Å; S51-E54 PolarHBondContact O-N 3.31Å; E54-A72 HydrophobicContact CG-CB 4.07Å
55K70.6Confident71.3Confident177 Ų17788 Ų8877%0.7746%0.458SS*.Hα-helixtrans-87.2-13.7178.7-71.4177-177.8179.20114.3S51 D57S51-K55 WeakPolarHBondContact O-CB 3.31Å; S51-K55 VanDerWaalsContact O-CG 3.27Å; S51-K55 WeakPolarHBondContact O-CG 3.36Å; S51-K55 PolarHBondContact O-N 3.3Å; K55-D57 PolarHBondContact O-N 3.44Å
56A65.9Low70.6Confident48 Ų4890.8 Ų90.840%0.39747%0.466SS..SBendtrans-57.8125.3173.500000107.7C52 L58C52-A56 PolarHBondContact O-N 3.43Å; A56-L58 VanDerWaalsContact C-N 3.28Å; A56-L58 WeakPolarHBondContact O-CG 3.5Å; A56-L58 PolarHBondContact O-N 3.48Å
57D59.5Low70.1Confident135 Ų13593.6 Ų93.672%0.72248%0.484SS*.  trans-67.889-178.9-1711.6000109.3K55 S59K55-D57 PolarHBondContact O-N 3.44Å; D57-S59 PolarHBondContact O-N 2.96Å; D57-S59 WeakPolarHBondContact OD1-CB 3.26Å; D57-S59 PolarHBondContact OD1-N 3.42Å; D57-S59 PolarHBondContact OD1-OG 2.93Å; D57-S59 PolarHBondContact OD2-OG 3.27Å
58L60.1Low69.6Low51 Ų5193 Ų9327%0.26748%0.484SS..  trans-80.413.6-179.4-64.1166.5000111.7A56 Q60 S61 R64A56-L58 VanDerWaalsContact C-N 3.28Å; A56-L58 WeakPolarHBondContact O-CG 3.5Å; A56-L58 PolarHBondContact O-N 3.48Å; L58-Q60 PolarHBondContact O-N 2.86Å; L58-S61 PolarHBondContact O-N 3.37Å; L58-R64 HydrophobicContact CD2-CB 3.96Å
59S59.7Low69.3Low85 Ų8593.1 Ų93.159%0.59448%0.483SS*.THydrogen-bonded Turntrans-59.6-1-170.755.60000116.9D57D57-S59 PolarHBondContact O-N 2.96Å; D57-S59 WeakPolarHBondContact OD1-CB 3.26Å; D57-S59 PolarHBondContact OD1-N 3.42Å; D57-S59 PolarHBondContact OD1-OG 2.93Å; D57-S59 PolarHBondContact OD2-OG 3.27Å
60Q58.8Low69.2Low168 Ų16893.5 Ų93.579%0.78548%0.484SS*.THydrogen-bonded Turntrans-111.7-3-173.4-63.5-167-7.900115.9L58L58-Q60 PolarHBondContact O-N 2.86Å
61S64.4Low69.2Low45 Ų4595.7 Ų95.732%0.31550%0.498SS..  trans-160.4136.5168109.60000114.4L58 L63 R64 T65L58-S61 PolarHBondContact O-N 3.37Å; S61-L63 PolarHBondContact O-N 3.44Å; S61-L63 PolarHBondContact OG-N 2.88Å; S61-R64 WeakPolarHBondContact O-CB 3.5Å; S61-R64 PolarHBondContact O-N 2.89Å; S61-R64 WeakPolarHBondContact OG-CG 3.32Å; S61-R64 PolarHBondContact OG-N 3.32Å; S61-T65 PolarHBondContact O-N 3.4Å; S61-T65 PolarHBondContact O-OG1 3Å
62Q68Low69.1Low164 Ų16494.2 Ų94.277%0.76649%0.488SS*.Hα-helixtrans-55.6-32.7173.2-74.4-175.8-1000112.7R64 T65 K66Q62-R64 VanDerWaalsContact C-N 3.34Å; Q62-T65 PolarHBondContact O-N 3.5Å; Q62-K66 WeakPolarHBondContact O-CG 3.47Å; Q62-K66 PolarHBondContact O-N 2.95Å
63L61.1Low69.4Low133 Ų13394.6 Ų94.670%0.69649%0.488SS*.Hα-helixtrans-66.9-39.2177.2-152.3100.4000110.7S61 K66 V67S61-L63 PolarHBondContact O-N 3.44Å; S61-L63 PolarHBondContact OG-N 2.88Å; L63-K66 PolarHBondContact O-N 3.3Å; L63-V67 WeakPolarHBondContact O-CB 3.09Å; L63-V67 WeakPolarHBondContact O-CG2 3.4Å; L63-V67 PolarHBondContact O-N 3.49Å
64R62Low70Confident155 Ų15597.4 Ų97.459%0.58550%0.501SS*.Hα-helixtrans-69.8-38.3177.2-78.3-177-179.8-173.51.8111.8L58 S61 Q62 V67 G68L58-R64 HydrophobicContact CD2-CB 3.96Å; S61-R64 WeakPolarHBondContact O-CB 3.5Å; S61-R64 PolarHBondContact O-N 2.89Å; S61-R64 WeakPolarHBondContact OG-CG 3.32Å; S61-R64 PolarHBondContact OG-N 3.32Å; Q62-R64 VanDerWaalsContact C-N 3.34Å; R64-V67 PolarHBondContact O-N 3.43Å; R64-G68 PolarHBondContact O-N 2.91Å
65T69.1Low70.6Confident56 Ų5694.2 Ų94.234%0.34449%0.487SS..Hα-helixtrans-59.6-51.3171.3-46.50000111.1S61 Q62 V67 G68 E69S61-T65 PolarHBondContact O-N 3.4Å; S61-T65 PolarHBondContact O-OG1 3Å; Q62-T65 PolarHBondContact O-N 3.5Å; T65-V67 PolarHBondContact O-N 3.02Å; T65-G68 PolarHBondContact O-N 2.79Å; T65-E69 WeakPolarHBondContact O-CG 3.2Å; T65-E69 PolarHBondContact O-N 3.47Å
66K71.2Confident71.3Confident145 Ų14588.3 Ų88.363%0.6346%0.464SS*.Hα-helixtrans-61.4-40.7178.2-74.2-176.3179-176.60113.2Q62 L63 H70Q62-K66 WeakPolarHBondContact O-CG 3.47Å; Q62-K66 PolarHBondContact O-N 2.95Å; L63-K66 PolarHBondContact O-N 3.3Å; K66-H70 VanDerWaalsContact O-CB 3.28Å; K66-H70 WeakPolarHBondContact O-CB 3.32Å; K66-H70 PolarHBondContact O-N 3.33Å
67V74.4Confident72.3Confident81 Ų8188.8 Ų88.849%0.49147%0.467SS..Hα-helixtrans-66.3-42.9176170.40000110.4L63 R64 T65 H70 V71L63-V67 WeakPolarHBondContact O-CB 3.09Å; L63-V67 WeakPolarHBondContact O-CG2 3.4Å; L63-V67 PolarHBondContact O-N 3.49Å; R64-V67 PolarHBondContact O-N 3.43Å; T65-V67 PolarHBondContact O-N 3.02Å; V67-H70 PolarHBondContact O-N 3.45Å; V67-V71 HydrophobicContact CG1-CG2 4.25Å; V67-V71 WeakPolarHBondContact O-CB 3.33Å; V67-V71 WeakPolarHBondContact O-CG2 3.31Å; V67-V71 PolarHBondContact O-N 3.42Å
68G72.3Confident73.8Confident10 Ų1087.7 Ų87.710%0.10346%0.457CS..Hα-helixtrans-60.6-47.4176.300000112.6R64 T65 H70 V71 A72R64-G68 PolarHBondContact O-N 2.91Å; T65-G68 PolarHBondContact O-N 2.79Å; G68-H70 PolarHBondContact O-N 2.83Å; G68-V71 PolarHBondContact O-N 2.93Å; G68-A72 WeakPolarHBondContact O-CB 3.43Å; G68-A72 PolarHBondContact O-N 2.95Å
69E77Confident75.1Confident117 Ų11785.3 Ų85.355%0.54744%0.444SS..Hα-helixtrans-60.6-42.9174.8-72.3170.8176.900111.9T65 A72 T73T65-E69 WeakPolarHBondContact O-CG 3.2Å; T65-E69 PolarHBondContact O-N 3.47Å; E69-A72 PolarHBondContact O-N 3.46Å; E69-T73 WeakPolarHBondContact O-CB 3.18Å; E69-T73 PolarHBondContact O-N 3.46Å; E69-T73 PolarHBondContact O-OG1 3.08Å
70H79.7Confident76.4Confident118 Ų11883.9 Ų83.955%0.54643%0.429SS..Hα-helixtrans-64.8-44177.4-174.367.5000111.7K66 V67 G68 T73 L74K66-H70 VanDerWaalsContact O-CB 3.28Å; K66-H70 WeakPolarHBondContact O-CB 3.32Å; K66-H70 PolarHBondContact O-N 3.33Å; V67-H70 PolarHBondContact O-N 3.45Å; G68-H70 PolarHBondContact O-N 2.83Å; H70-T73 PolarHBondContact O-N 3.02Å; H70-L74 WeakPolarHBondContact NE2-CD1 3.28Å; H70-L74 WeakPolarHBondContact O-CB 3.45Å; H70-L74 WeakPolarHBondContact O-CG 2.92Å; H70-L74 PolarHBondContact O-N 3.39Å
71V79.9Confident78Confident54 Ų5482.5 Ų82.533%0.32742%0.421SS..Hα-helixtrans-64-45.4176.21710000110.8V53 V67 G68 T73 L74 L75V53-V71 HydrophobicContact CG1-CB 4.33Å; V53-V71 HydrophobicContact CG1-CG1 4.03Å; V53-V71 HydrophobicContact CG2-CG1 4.26Å; V67-V71 HydrophobicContact CG1-CG2 4.25Å; V67-V71 WeakPolarHBondContact O-CB 3.33Å; V67-V71 WeakPolarHBondContact O-CG2 3.31Å; V67-V71 PolarHBondContact O-N 3.42Å; G68-V71 PolarHBondContact O-N 2.93Å; V71-T73 VanDerWaalsContact C-N 3.31Å; V71-T73 PolarHBondContact O-N 3.25Å; V71-L74 PolarHBondContact O-N 2.94Å; V71-L75 HydrophobicContact CG1-CD1 3.84Å; V71-L75 HydrophobicContact CG1-CG 4.25Å; V71-L75 WeakPolarHBondContact O-CB 3.39Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.92Å
72A76.8Confident79.2Confident8 Ų883.2 Ų83.27%0.06642%0.419CS..Hα-helixtrans-59.9-42.3176.600000111.6E54 G68 E69 L75 L76E54-A72 HydrophobicContact CG-CB 4.07Å; G68-A72 WeakPolarHBondContact O-CB 3.43Å; G68-A72 PolarHBondContact O-N 2.95Å; E69-A72 PolarHBondContact O-N 3.46Å; A72-L75 PolarHBondContact O-N 3.08Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 PolarHBondContact O-N 3.28Å
73T83.2Confident80.1Confident94 Ų9476 Ų7658%0.57739%0.386SS*.Hα-helixtrans-63.2-47176-55.60000111.9E69 H70 V71 L76 A77E69-T73 WeakPolarHBondContact O-CB 3.18Å; E69-T73 PolarHBondContact O-N 3.46Å; E69-T73 PolarHBondContact O-OG1 3.08Å; H70-T73 PolarHBondContact O-N 3.02Å; V71-T73 VanDerWaalsContact C-N 3.31Å; V71-T73 PolarHBondContact O-N 3.25Å; T73-L76 PolarHBondContact O-N 3.19Å; T73-A77 PolarHBondContact O-N 2.9Å
74L85Confident81.5Confident100 Ų10073.6 Ų73.652%0.52438%0.377SS..Hα-helixtrans-63.5-41.3177.4-76.2175.4000112.1H70 V71 K78H70-L74 WeakPolarHBondContact NE2-CD1 3.28Å; H70-L74 WeakPolarHBondContact O-CB 3.45Å; H70-L74 WeakPolarHBondContact O-CG 2.92Å; H70-L74 PolarHBondContact O-N 3.39Å; V71-L74 PolarHBondContact O-N 2.94Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 PolarHBondContact O-N 3.49Å
75L84.1Confident82.9Confident35 Ų3570.4 Ų70.418%0.18337%0.372CS..Hα-helixtrans-63.2-45.3175.5-74.5173.8000110.8K50 V53 V71 A72 K78 I79K50-L75 HydrophobicContact CB-CB 4.34Å; K50-L75 HydrophobicContact CB-CD1 4.32Å; V53-L75 HydrophobicContact CG2-CD1 4.31Å; V71-L75 HydrophobicContact CG1-CD1 3.84Å; V71-L75 HydrophobicContact CG1-CG 4.25Å; V71-L75 WeakPolarHBondContact O-CB 3.39Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.92Å; A72-L75 PolarHBondContact O-N 3.08Å; L75-K78 WeakPolarHBondContact O-CB 3.4Å; L75-K78 PolarHBondContact O-N 2.89Å; L75-I79 WeakPolarHBondContact O-CB 3.3Å; L75-I79 WeakPolarHBondContact O-CD1 3.38Å; L75-I79 WeakPolarHBondContact O-CG1 3.25Å; L75-I79 PolarHBondContact O-N 3.43Å
76L85.7Confident83.8Confident53 Ų5368 Ų6828%0.27736%0.357SS..Hα-helixtrans-60.1-47.8176.9-174.262000111.4K50 A72 T73 K78 I79 D80K50-L76 HydrophobicContact CD-CB 4.31Å; K50-L76 HydrophobicContact CD-CD1 4.35Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 PolarHBondContact O-N 3.28Å; T73-L76 PolarHBondContact O-N 3.19Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 3.5Å; L76-I79 CarbonylContact O-C 3.58Å; L76-I79 WeakPolarHBondContact O-CB 3.43Å; L76-I79 PolarHBondContact O-N 3.24Å; L76-I79 VanDerWaalsContact O-N 3.08Å; L76-D80 PolarHBondContact O-N 2.98Å
77A87.2Confident84.7Confident57 Ų5762.4 Ų62.447%0.47134%0.336SS..Hα-helixtrans-60.2-35.617700000113T73 K81T73-A77 PolarHBondContact O-N 2.9Å; A77-K81 PolarHBondContact O-N 3.25Å; A77-K81 VanDerWaalsContact O-N 3.15Å
78K89.5Confident85.5Confident113 Ų11362 Ų6249%0.49133%0.334SS..Hα-helixtrans-67.9-43.6174.1-177.5177.7176.8-179.30111.6L74 L75 L76 K81 H82L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 PolarHBondContact O-N 3.49Å; L75-K78 WeakPolarHBondContact O-CB 3.4Å; L75-K78 PolarHBondContact O-N 2.89Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 3.5Å; K78-K81 PolarHBondContact O-N 3.47Å; K78-H82 VanDerWaalsContact O-CG 3.31Å; K78-H82 PolarHBondContact O-N 3.28Å
79I87.9Confident86.4Confident1 Ų163.1 Ų63.11%0.00534%0.341CS..Hα-helixtrans-62-47.3176.5-69164.9000109.9I43 Q46 L47 K50 L75 L76 K81 H82 V83 T171 I175I43-I79 HydrophobicContact CG2-CG2 4.23Å; Q46-I79 HydrophobicContact CB-CD1 4.1Å; Q46-I79 HydrophobicContact CB-CG1 3.78Å; L47-I79 HydrophobicContact CB-CD1 4.43Å; L47-I79 HydrophobicContact CD1-CD1 4.38Å; K50-I79 HydrophobicContact CB-CD1 4.37Å; L75-I79 WeakPolarHBondContact O-CB 3.3Å; L75-I79 WeakPolarHBondContact O-CD1 3.38Å; L75-I79 WeakPolarHBondContact O-CG1 3.25Å; L75-I79 PolarHBondContact O-N 3.43Å; L76-I79 CarbonylContact O-C 3.58Å; L76-I79 WeakPolarHBondContact O-CB 3.43Å; L76-I79 PolarHBondContact O-N 3.24Å; L76-I79 VanDerWaalsContact O-N 3.08Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 2.88Å; I79-H82 PolarHBondContact O-N 2.7Å; I79-V83 HydrophobicContact CG2-CG2 4.3Å; I79-V83 WeakPolarHBondContact O-CG2 3.25Å; I79-V83 PolarHBondContact O-N 3.19Å; I79-T171 HydrophobicContact CG2-CG2 3.77Å; I79-I175 HydrophobicContact CG2-CD1 3.4Å; I79-I175 VanDerWaalsContact CG2-CD1 3.4Å
80D87.8Confident87Confident54 Ų5457.5 Ų57.529%0.28932%0.315SS..Hα-helixtrans-55.2-46.4177.4-67.5-8.1000111.4L76 H82 V83 T84 T171L76-D80 PolarHBondContact O-N 2.98Å; D80-H82 PolarHBondContact O-N 3.27Å; D80-V83 PolarHBondContact O-N 2.81Å; D80-T84 WeakPolarHBondContact O-CB 3.19Å; D80-T84 PolarHBondContact O-N 3.38Å; D80-T84 PolarHBondContact O-OG1 3.16Å; D80-T171 WeakPolarHBondContact OD1-CB 3.28Å; D80-T171 WeakPolarHBondContact OD1-CG2 3.42Å; D80-T171 PolarHBondContact OD1-OG1 3.01Å
81K90.6Very high87.6Confident139 Ų13957.5 Ų57.560%0.60431%0.314SS*.Hα-helixtrans-62.3-43.3176.6-174.9178.7-178.7179.20111.6A77 K78 I79 T84 N85A77-K81 PolarHBondContact O-N 3.25Å; A77-K81 VanDerWaalsContact O-N 3.15Å; K78-K81 PolarHBondContact O-N 3.47Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 2.88Å; K81-T84 PolarHBondContact O-N 3.5Å; K81-N85 WeakPolarHBondContact O-CB 3.5Å; K81-N85 PolarHBondContact O-N 3.14Å; K81-N85 PolarHBondContact O-OD1 2.8Å
82H90.2Very high88.2Confident60 Ų6060.7 Ų60.728%0.27833%0.325SS..Hα-helixtrans-66-42.9178.2-70.7175.8000112.4I43 Q46 K78 I79 D80 T84 N85 L86I43-H82 HydrophobicContact CD1-CB 4.18Å; I43-H82 HydrophobicContact CG1-CB 4Å; Q46-H82 PolarHBondContact NE2-CE1 3.04Å; Q46-H82 PolarHBondContact NE2-ND1 2.83Å; Q46-H82 PolarHBondContact OE1-CE1 2.96Å; Q46-H82 PolarHBondContact OE1-ND1 3.1Å; K78-H82 VanDerWaalsContact O-CG 3.31Å; K78-H82 PolarHBondContact O-N 3.28Å; I79-H82 PolarHBondContact O-N 2.7Å; D80-H82 PolarHBondContact O-N 3.27Å; H82-T84 VanDerWaalsContact C-N 3.35Å; H82-N85 PolarHBondContact O-N 2.72Å; H82-L86 VanDerWaalsContact O-CB 3.31Å; H82-L86 WeakPolarHBondContact O-CB 3.48Å; H82-L86 PolarHBondContact O-N 3.45Å
83V88.2Confident88.9Confident12 Ų1261.6 Ų61.67%0.07333%0.329CS..Hα-helixtrans-61.5-44.6174.8171.70000110.4I43 I79 D80 N85 L86 C87 T171 A174 I175I43-V83 HydrophobicContact CD1-CG2 4.07Å; I43-V83 HydrophobicContact CG2-CG2 3.76Å; I79-V83 HydrophobicContact CG2-CG2 4.3Å; I79-V83 WeakPolarHBondContact O-CG2 3.25Å; I79-V83 PolarHBondContact O-N 3.19Å; D80-V83 PolarHBondContact O-N 2.81Å; V83-N85 PolarHBondContact O-N 2.9Å; V83-L86 PolarHBondContact O-N 3.49Å; V83-C87 PolarHBondContact O-N 3.26Å; V83-C87 PolarHBondContact O-SG 3.21Å; V83-T171 HydrophobicContact CB-CG2 4.4Å; V83-T171 HydrophobicContact CG2-CG2 3.94Å; V83-A174 HydrophobicContact CG1-CB 4.41Å; V83-I175 HydrophobicContact CG2-CD1 4.26Å; V83-I175 HydrophobicContact CG2-CG1 3.97Å
84T88.6Confident89.3Confident83 Ų8357.2 Ų57.251%0.50930%0.302SS..Hα-helixtrans-60.4-48.3177.4-57.70000111.4D80 K81 H82 L86 C87 V88D80-T84 WeakPolarHBondContact O-CB 3.19Å; D80-T84 PolarHBondContact O-N 3.38Å; D80-T84 PolarHBondContact O-OG1 3.16Å; K81-T84 PolarHBondContact O-N 3.5Å; H82-T84 VanDerWaalsContact C-N 3.35Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 2.98Å; T84-C87 PolarHBondContact O-N 3.27Å; T84-V88 WeakPolarHBondContact O-CG2 3.42Å; T84-V88 PolarHBondContact O-N 3.44Å
85N91.5Very high89.7Confident89 Ų8957.3 Ų57.348%0.47630%0.299SS..Hα-helixtrans-61.5-41.3177.9-72.1-8.7000112K81 H82 V83 V88 A89K81-N85 WeakPolarHBondContact O-CB 3.5Å; K81-N85 PolarHBondContact O-N 3.14Å; K81-N85 PolarHBondContact O-OD1 2.8Å; H82-N85 PolarHBondContact O-N 2.72Å; V83-N85 PolarHBondContact O-N 2.9Å; N85-V88 PolarHBondContact O-N 3.43Å; N85-A89 PolarHBondContact O-N 3.37Å
86L89.8Confident90.1Very high5 Ų559.1 Ų59.13%0.02631%0.307CS..Hα-helixtrans-61.3-47.3175.7174.861.8000111H36 T39 I40 I43 H82 V83 T84 V88 A89 I90 L178H36-L86 HydrophobicContact CB-CD1 3.88Å; H36-L86 VanDerWaalsContact ND1-CD1 3.33Å; H36-L86 WeakPolarHBondContact ND1-CD1 3.35Å; T39-L86 HydrophobicContact CG2-CB 4.32Å; T39-L86 HydrophobicContact CG2-CD1 3.91Å; T39-L86 HydrophobicContact CG2-CD2 4.29Å; T39-L86 HydrophobicContact CG2-CG 4.39Å; I40-L86 HydrophobicContact CG1-CD2 3.6Å; I43-L86 HydrophobicContact CD1-CB 4.29Å; I43-L86 HydrophobicContact CD1-CD2 3.66Å; H82-L86 VanDerWaalsContact O-CB 3.31Å; H82-L86 WeakPolarHBondContact O-CB 3.48Å; H82-L86 PolarHBondContact O-N 3.45Å; V83-L86 PolarHBondContact O-N 3.49Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 2.98Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.36Å; L86-A89 PolarHBondContact O-N 3.02Å; L86-I90 HydrophobicContact CD1-CD1 3.76Å; L86-I90 HydrophobicContact CD1-CG1 4.03Å; L86-I90 HydrophobicContact CD2-CD1 4.42Å; L86-I90 HydrophobicContact CG-CD1 3.68Å; L86-I90 HydrophobicContact CG-CG1 4.4Å; L86-I90 WeakPolarHBondContact O-CD1 3.44Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.25Å; L86-I90 PolarHBondContact O-N 3.39Å; L86-L178 HydrophobicContact CD2-CD1 4.14Å
87C88.6Confident90.4Very high28 Ų2856.6 Ų56.619%0.18929%0.294CS..Hα-helixtrans-60-39.8177.3-72.50000112.4V83 T84 K91 L163V83-C87 PolarHBondContact O-N 3.26Å; V83-C87 PolarHBondContact O-SG 3.21Å; T84-C87 PolarHBondContact O-N 3.27Å; C87-K91 WeakPolarHBondContact O-CB 3.26Å; C87-K91 PolarHBondContact O-N 3.42Å; C87-L163 HydrophobicContact CB-CD2 4.09Å
88V91.1Very high90.7Very high73 Ų7356 Ų5644%0.44228%0.281SS..Hα-helixtrans-63.3-47.5174.7172.20000110.8T84 N85 L86 I90 K91 E92T84-V88 WeakPolarHBondContact O-CG2 3.42Å; T84-V88 PolarHBondContact O-N 3.44Å; N85-V88 PolarHBondContact O-N 3.43Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.36Å; V88-I90 PolarHBondContact O-N 3.39Å; V88-K91 WeakPolarHBondContact O-CB 3.33Å; V88-K91 PolarHBondContact O-N 2.88Å; V88-K91 VanDerWaalsContact O-N 3.16Å; V88-E92 WeakPolarHBondContact O-CG 3.44Å; V88-E92 PolarHBondContact O-N 3.01Å
89A91.7Very high90.8Very high32 Ų3257.1 Ų57.126%0.26428%0.282SS..Hα-helixtrans-63-44-179.900000112.4N85 L86 K91 E92 D93N85-A89 PolarHBondContact O-N 3.37Å; L86-A89 PolarHBondContact O-N 3.02Å; A89-K91 VanDerWaalsContact C-N 3.29Å; A89-K91 PolarHBondContact O-N 2.98Å; A89-E92 PolarHBondContact O-N 3.15Å; A89-D93 PolarHBondContact O-N 2.97Å
90I89.6Confident91Very high0 Ų057.3 Ų57.30%028%0.283CS..Hα-helixtrans-61.6-40.7175-62157.4000110.1H36 L86 V88 E92 D93 L94 L163 W185H36-I90 HydrophobicContact CB-CG1 4.27Å; L86-I90 HydrophobicContact CD1-CD1 3.76Å; L86-I90 HydrophobicContact CD1-CG1 4.03Å; L86-I90 HydrophobicContact CD2-CD1 4.42Å; L86-I90 HydrophobicContact CG-CD1 3.68Å; L86-I90 HydrophobicContact CG-CG1 4.4Å; L86-I90 WeakPolarHBondContact O-CD1 3.44Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.25Å; L86-I90 PolarHBondContact O-N 3.39Å; V88-I90 PolarHBondContact O-N 3.39Å; I90-E92 PolarHBondContact O-N 2.97Å; I90-D93 PolarHBondContact O-N 3.01Å; I90-L94 HydrophobicContact CG2-CD1 3.74Å; I90-L94 HydrophobicContact CG2-CG 4.11Å; I90-L94 WeakPolarHBondContact O-CB 3.49Å; I90-L94 WeakPolarHBondContact O-CG 3.35Å; I90-L94 PolarHBondContact O-N 3.44Å; I90-L163 HydrophobicContact CB-CD1 4.16Å; I90-L163 HydrophobicContact CB-CD2 4.05Å; I90-L163 HydrophobicContact CD1-CD2 4.18Å; I90-L163 HydrophobicContact CG2-CD1 3.8Å; I90-L163 HydrophobicContact CG2-CD2 4.02Å; I90-L163 HydrophobicContact CG2-CG 4.04Å; I90-W185 HydrophobicContact CD1-CH2 3.82Å; I90-W185 HydrophobicContact CD1-CZ3 4.39Å; I90-W185 HydrophobicContact CG1-CH2 4.42Å; I90-W185 HydrophobicContact CG2-CH2 4.41Å
91K91.5Very high91.2Very high118 Ų11854.8 Ų54.851%0.51327%0.27SS..Hα-helixtrans-59.5-48178.3-177.1-174.6171.9-1710111.4C87 V88 A89 L94 E95 L163C87-K91 WeakPolarHBondContact O-CB 3.26Å; C87-K91 PolarHBondContact O-N 3.42Å; V88-K91 WeakPolarHBondContact O-CB 3.33Å; V88-K91 PolarHBondContact O-N 2.88Å; V88-K91 VanDerWaalsContact O-N 3.16Å; A89-K91 VanDerWaalsContact C-N 3.29Å; A89-K91 PolarHBondContact O-N 2.98Å; K91-L94 PolarHBondContact O-N 3.21Å; K91-E95 WeakPolarHBondContact CE-OE1 3.49Å; K91-E95 WeakPolarHBondContact O-CG 3.37Å; K91-E95 PolarHBondContact O-N 3Å; K91-L163 HydrophobicContact CB-CD1 3.92Å
92E93Very high91.3Very high120 Ų12050.7 Ų50.756%0.56126%0.255SS*.Hα-helixtrans-60.9-46178.3-69.7173.6175.900111.7V88 A89 I90 L94 E95 E96V88-E92 WeakPolarHBondContact O-CG 3.44Å; V88-E92 PolarHBondContact O-N 3.01Å; A89-E92 PolarHBondContact O-N 3.15Å; I90-E92 PolarHBondContact O-N 2.97Å; E92-L94 VanDerWaalsContact C-N 3.31Å; E92-L94 PolarHBondContact O-N 2.94Å; E92-E95 PolarHBondContact O-N 3.46Å; E92-E96 PolarHBondContact O-N 3.12Å; E92-E96 VanDerWaalsContact O-N 3.14Å
93D92.2Very high91.3Very high28 Ų2848.1 Ų48.115%0.1524%0.244CC..Hα-helixtrans-65.1-34.3177.1-72.4-40.6000111.9K31 I32 H36 A89 I90 E96 C97K31-D93 IonicContact NZ-OD1 2.76Å; K31-D93 PolarHBondContact NZ-OD1 2.99Å; I32-D93 HydrophobicContact CD1-CB 3.67Å; I32-D93 HydrophobicContact CG1-CB 3.48Å; I32-D93 VanDerWaalsContact CG1-CB 3.48Å; H36-D93 IonicContact CD2-OD2 2.77Å; H36-D93 IonicContact CE1-OD2 3.13Å; H36-D93 PolarHBondContact CE1-OD2 2.86Å; H36-D93 IonicContact NE2-OD2 2.65Å; H36-D93 PolarHBondContact NE2-OD2 3.28Å; A89-D93 PolarHBondContact O-N 2.97Å; I90-D93 PolarHBondContact O-N 3.01Å; D93-E96 PolarHBondContact O-N 3.16Å; D93-C97 PolarHBondContact O-N 3.01Å; D93-C97 PolarHBondContact O-SG 3.37Å
94L92.2Very high91.3Very high1 Ų147.6 Ų47.61%0.00524%0.24CC..Hα-helixtrans-70.8-32.2175.8-72.7172.4000113I32 I90 K91 E92 E96 Q98 V156 R159 R160 L163I32-L94 HydrophobicContact CD1-CD2 4.04Å; I32-L94 HydrophobicContact CD1-CG 4.38Å; I90-L94 HydrophobicContact CG2-CD1 3.74Å; I90-L94 HydrophobicContact CG2-CG 4.11Å; I90-L94 WeakPolarHBondContact O-CB 3.49Å; I90-L94 WeakPolarHBondContact O-CG 3.35Å; I90-L94 PolarHBondContact O-N 3.44Å; K91-L94 PolarHBondContact O-N 3.21Å; E92-L94 VanDerWaalsContact C-N 3.31Å; E92-L94 PolarHBondContact O-N 2.94Å; L94-E96 VanDerWaalsContact C-N 3.35Å; L94-Q98 WeakPolarHBondContact O-CB 3.41Å; L94-Q98 PolarHBondContact O-N 3.41Å; L94-V156 HydrophobicContact CD2-CG1 4.33Å; L94-V156 HydrophobicContact CD2-CG2 4.49Å; L94-R159 HydrophobicContact CD1-CB 3.89Å; L94-R159 HydrophobicContact CD2-CB 3.69Å; L94-R159 HydrophobicContact CG-CB 4.41Å; L94-R160 HydrophobicContact CB-CG 4.43Å; L94-R160 HydrophobicContact CD1-CG 3.88Å; L94-L163 HydrophobicContact CD1-CD1 3.6Å; L94-L163 HydrophobicContact CD1-CG 4.31Å
95E92.3Very high91.3Very high102 Ų10244.5 Ų44.548%0.47722%0.221SC..Hα-helixtrans-64.3-41.9171.3-73.7174.2-176.800110.9K91 E92 Q98 R99K91-E95 WeakPolarHBondContact CE-OE1 3.49Å; K91-E95 WeakPolarHBondContact O-CG 3.37Å; K91-E95 PolarHBondContact O-N 3Å; E92-E95 PolarHBondContact O-N 3.46Å; E95-Q98 PolarHBondContact O-N 3.41Å; E95-R99 PolarHBondContact O-N 2.93Å
96E92.5Very high91.2Very high73 Ų7347.7 Ų47.734%0.34123%0.227SC..Hα-helixtrans-64.5-44.3173.9176.158.1-168.500112.1E92 D93 L94 Q98 R99 L100E92-E96 PolarHBondContact O-N 3.12Å; E92-E96 VanDerWaalsContact O-N 3.14Å; D93-E96 PolarHBondContact O-N 3.16Å; L94-E96 VanDerWaalsContact C-N 3.35Å; E96-Q98 VanDerWaalsContact C-N 3.3Å; E96-Q98 PolarHBondContact O-N 2.98Å; E96-R99 VanDerWaalsContact CD-NH2 3.3Å; E96-R99 WeakPolarHBondContact O-CB 3.2Å; E96-R99 PolarHBondContact O-N 2.84Å; E96-R99 IonicContact OE1-CZ 2.88Å; E96-R99 IonicContact OE1-NE 3.75Å; E96-R99 IonicContact OE1-NH2 3.19Å; E96-R99 PolarHBondContact OE1-NH2 3.4Å; E96-R99 IonicContact OE2-CZ 3.2Å; E96-R99 IonicContact OE2-NE 3.74Å; E96-R99 PolarHBondContact OE2-NE 3.3Å; E96-R99 IonicContact OE2-NH2 2.7Å; E96-R99 PolarHBondContact OE2-NH2 3.29Å; E96-R99 VanDerWaalsContact OE2-NH2 3.14Å; E96-L100 HydrophobicContact CG-CD1 4.16Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 3.49Å
97C92.8Very high91.1Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-59.4-41.6175.4-68.10000111.7L25 L29 D93 L100 A101 V156L25-C97 HydrophobicContact CD1-CB 3.91Å; L25-C97 VanDerWaalsContact CD1-O 3.24Å; L25-C97 WeakPolarHBondContact CD1-O 3.47Å; L29-C97 HydrophobicContact CD2-CB 4.27Å; D93-C97 PolarHBondContact O-N 3.01Å; D93-C97 PolarHBondContact O-SG 3.37Å; C97-L100 PolarHBondContact O-N 3.24Å; C97-A101 WeakPolarHBondContact O-CB 3.4Å; C97-A101 PolarHBondContact O-N 3.4Å; C97-V156 HydrophobicContact CB-CG2 3.7Å
98Q92.2Very high91Very high45 Ų4549 Ų4921%0.2123%0.23CC..Hα-helixtrans-62.1-45.6175.4-179.467.854.400111.8L94 E95 E96 L100 A101 D102L94-Q98 WeakPolarHBondContact O-CB 3.41Å; L94-Q98 PolarHBondContact O-N 3.41Å; E95-Q98 PolarHBondContact O-N 3.41Å; E96-Q98 VanDerWaalsContact C-N 3.3Å; E96-Q98 PolarHBondContact O-N 2.98Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 PolarHBondContact O-N 2.94Å; Q98-A101 PolarHBondContact O-N 3.18Å; Q98-D102 VanDerWaalsContact NE2-CG 3.27Å; Q98-D102 PolarHBondContact NE2-OD1 2.91Å; Q98-D102 PolarHBondContact NE2-OD2 3.5Å; Q98-D102 VanDerWaalsContact O-CG 3.32Å; Q98-D102 PolarHBondContact O-N 2.96Å
99R93.5Very high90.7Very high136 Ų13649.3 Ų49.351%0.51323%0.229SC..Hα-helixtrans-58.1-42.3178.2-169.3-171.168.277.83.1111.4E95 E96 A103E95-R99 PolarHBondContact O-N 2.93Å; E96-R99 VanDerWaalsContact CD-NH2 3.3Å; E96-R99 WeakPolarHBondContact O-CB 3.2Å; E96-R99 PolarHBondContact O-N 2.84Å; E96-R99 IonicContact OE1-CZ 2.88Å; E96-R99 IonicContact OE1-NE 3.75Å; E96-R99 IonicContact OE1-NH2 3.19Å; E96-R99 PolarHBondContact OE1-NH2 3.4Å; E96-R99 IonicContact OE2-CZ 3.2Å; E96-R99 IonicContact OE2-NE 3.74Å; E96-R99 PolarHBondContact OE2-NE 3.3Å; E96-R99 IonicContact OE2-NH2 2.7Å; E96-R99 PolarHBondContact OE2-NH2 3.29Å; E96-R99 VanDerWaalsContact OE2-NH2 3.14Å; R99-A103 WeakPolarHBondContact O-CB 3.39Å; R99-A103 PolarHBondContact O-N 2.82Å
100L92Very high90.3Very high5 Ų549 Ų493%0.02623%0.225CC..Hα-helixtrans-67.9-42.4176-69.4169000112.2Q24 L25 A28 E96 C97 Q98 D102 A103 A104Q24-L100 HydrophobicContact CB-CD1 4.17Å; Q24-L100 HydrophobicContact CB-CD2 3.8Å; L25-L100 HydrophobicContact CB-CB 4.11Å; L25-L100 HydrophobicContact CD1-CB 4.21Å; A28-L100 HydrophobicContact CB-CD1 3.88Å; E96-L100 HydrophobicContact CG-CD1 4.16Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 3.49Å; C97-L100 PolarHBondContact O-N 3.24Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 PolarHBondContact O-N 2.94Å; L100-D102 VanDerWaalsContact C-N 3.32Å; L100-D102 PolarHBondContact O-N 3.17Å; L100-A103 PolarHBondContact O-N 3.05Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 3.3Å
101A91.1Very high89.9Confident1 Ų149.2 Ų49.21%0.00823%0.226CC..Hα-helixtrans-61.6-40176.100000112L25 C97 Q98 T105 R153L25-A101 HydrophobicContact CD1-CB 4.36Å; L25-A101 HydrophobicContact CD2-CB 3.89Å; C97-A101 WeakPolarHBondContact O-CB 3.4Å; C97-A101 PolarHBondContact O-N 3.4Å; Q98-A101 PolarHBondContact O-N 3.18Å; A101-T105 VanDerWaalsContact O-CB 3.31Å; A101-T105 WeakPolarHBondContact O-CB 3.29Å; A101-T105 PolarHBondContact O-N 3.15Å; A101-T105 PolarHBondContact O-OG1 2.98Å; A101-R153 HydrophobicContact CB-CG 4.09Å
102D92.1Very high89.3Confident54 Ų5445.5 Ų45.529%0.28922%0.218SC..Hα-helixtrans-71.7-37.6177.1-66.8-26.2000112Q98 L100 T105 R106 R153Q98-D102 VanDerWaalsContact NE2-CG 3.27Å; Q98-D102 PolarHBondContact NE2-OD1 2.91Å; Q98-D102 PolarHBondContact NE2-OD2 3.5Å; Q98-D102 VanDerWaalsContact O-CG 3.32Å; Q98-D102 PolarHBondContact O-N 2.96Å; L100-D102 VanDerWaalsContact C-N 3.32Å; L100-D102 PolarHBondContact O-N 3.17Å; D102-T105 PolarHBondContact O-N 3.42Å; D102-R106 WeakPolarHBondContact O-CG 3.29Å; D102-R106 PolarHBondContact O-N 2.89Å; D102-R106 PolarHBondContact O-NH1 2.8Å; D102-R153 IonicContact OD1-NH2 2.65Å; D102-R153 PolarHBondContact OD1-NH2 2.9Å; D102-R153 VanDerWaalsContact OD1-NH2 3.1Å
103A91Very high88.7Confident6 Ų645.2 Ų45.25%0.0522%0.216CC..Hα-helixtrans-61.6-48172.400000111.8R99 L100 T105 R106 C107R99-A103 WeakPolarHBondContact O-CB 3.39Å; R99-A103 PolarHBondContact O-N 2.82Å; L100-A103 PolarHBondContact O-N 3.05Å; A103-T105 VanDerWaalsContact C-N 3.33Å; A103-T105 PolarHBondContact O-N 3.04Å; A103-R106 PolarHBondContact O-N 2.82Å; A103-C107 PolarHBondContact O-N 3.24Å; A103-C107 VanDerWaalsContact O-N 3.09Å; A103-C107 PolarHBondContact O-SG 3.34Å
104A87.8Confident87.8Confident0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-63.6-39177.800000111.9H21 L100 C107 Y108 L149H21-A104 HydrophobicContact CB-CB 3.66Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 3.3Å; A104-C107 PolarHBondContact O-N 2.9Å; A104-Y108 WeakPolarHBondContact O-CB 3.45Å; A104-Y108 PolarHBondContact O-N 2.87Å; A104-L149 HydrophobicContact CB-CD1 4.39Å; A104-L149 HydrophobicContact CB-CD2 3.4Å; A104-L149 VanDerWaalsContact CB-CD2 3.4Å; A104-L149 HydrophobicContact CB-CG 4.49Å
105T89.2Confident86.8Confident18 Ų1844.4 Ų44.411%0.1121%0.211CC..Hα-helixtrans-65.2-40.7176-59.50000112.1A101 D102 A103 C107 Y108 N109 R153A101-T105 VanDerWaalsContact O-CB 3.31Å; A101-T105 WeakPolarHBondContact O-CB 3.29Å; A101-T105 PolarHBondContact O-N 3.15Å; A101-T105 PolarHBondContact O-OG1 2.98Å; D102-T105 PolarHBondContact O-N 3.42Å; A103-T105 VanDerWaalsContact C-N 3.33Å; A103-T105 PolarHBondContact O-N 3.04Å; T105-C107 VanDerWaalsContact C-N 3.34Å; T105-C107 PolarHBondContact O-N 3.42Å; T105-Y108 PolarHBondContact O-N 2.88Å; T105-N109 WeakPolarHBondContact O-CB 3.22Å; T105-N109 VanDerWaalsContact O-CG 3.28Å; T105-N109 PolarHBondContact O-N 2.98Å; T105-R153 PolarHBondContact OG1-NE 3.34Å; T105-R153 PolarHBondContact OG1-NH2 3.02Å
106R90Very high85.9Confident157 Ų15741.9 Ų41.959%0.59221%0.212SC*.Hα-helixtrans-61-44173.9-74.3-170.8-56.9-86.94.2111.5D102 A103 C110D102-R106 WeakPolarHBondContact O-CG 3.29Å; D102-R106 PolarHBondContact O-N 2.89Å; D102-R106 PolarHBondContact O-NH1 2.8Å; A103-R106 PolarHBondContact O-N 2.82Å; R106-C110 WeakPolarHBondContact O-CB 3.44Å; R106-C110 PolarHBondContact O-N 3.4Å
107C86.5Confident84.8Confident17 Ų1739.2 Ų39.212%0.11520%0.203CC..Hα-helixtrans-65.9-39.8176.1-67.60000111.9A18 A103 A104 T105 C110 L111A18-C107 HydrophobicContact CB-CB 3.57Å; A103-C107 PolarHBondContact O-N 3.24Å; A103-C107 VanDerWaalsContact O-N 3.09Å; A103-C107 PolarHBondContact O-SG 3.34Å; A104-C107 PolarHBondContact O-N 2.9Å; T105-C107 VanDerWaalsContact C-N 3.34Å; T105-C107 PolarHBondContact O-N 3.42Å; C107-C110 WeakPolarHBondContact O-CB 3.5Å; C107-C110 PolarHBondContact O-N 3.25Å; C107-L111 WeakPolarHBondContact O-CG 3.2Å; C107-L111 PolarHBondContact O-N 2.92Å
108Y86.6Confident83.5Confident44 Ų4441.2 Ų41.217%0.17321%0.213CC..Hα-helixtrans-61.2-50.1174.7171.7-109.1000112.1A104 T105 C110 L111 A112 C142 L145 D146 L149A104-Y108 WeakPolarHBondContact O-CB 3.45Å; A104-Y108 PolarHBondContact O-N 2.87Å; T105-Y108 PolarHBondContact O-N 2.88Å; Y108-C110 VanDerWaalsContact C-N 3.27Å; Y108-C110 PolarHBondContact O-N 2.9Å; Y108-L111 CarbonylContact O-C 3.59Å; Y108-L111 WeakPolarHBondContact O-CA 3.5Å; Y108-L111 WeakPolarHBondContact O-CB 3.49Å; Y108-L111 PolarHBondContact O-N 2.98Å; Y108-A112 WeakPolarHBondContact O-CB 3.3Å; Y108-A112 PolarHBondContact O-N 3.49Å; Y108-C142 HydrophobicContact CE2-CB 4.08Å; Y108-C142 WeakPolarHBondContact CE2-O 3.2Å; Y108-L145 HydrophobicContact CD2-CB 4.43Å; Y108-L145 HydrophobicContact CD2-CD2 3.86Å; Y108-L145 HydrophobicContact CD2-CG 4.13Å; Y108-L145 HydrophobicContact CG-CD2 4.36Å; Y108-D146 WeakPolarHBondContact CE1-OD1 3.36Å; Y108-D146 HydrophobicContact CE2-CB 4.17Å; Y108-D146 PolarHBondContact OH-OD1 3.26Å; Y108-L149 HydrophobicContact CG-CD1 4.31Å
109N85.9Confident82.2Confident78 Ų7840 Ų4042%0.41721%0.208SC..Hα-helixtrans-60.5-40.6178-70.2-10.2000111.2T105 L111 A112 E113T105-N109 WeakPolarHBondContact O-CB 3.22Å; T105-N109 VanDerWaalsContact O-CG 3.28Å; T105-N109 PolarHBondContact O-N 2.98Å; N109-L111 PolarHBondContact O-N 3.4Å; N109-A112 PolarHBondContact O-N 3.04Å; N109-E113 WeakPolarHBondContact O-CB 3.33Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å; N109-E113 PolarHBondContact O-N 2.99Å
110C83.4Confident80.7Confident26 Ų2643.1 Ų43.118%0.17622%0.22CC..Hα-helixtrans-58.3-46.7172.7-173.20000111.3W6 T14 R106 C107 Y108 G114W6-C110 WeakPolarHBondContact CH2-O 3.31Å; W6-C110 WeakPolarHBondContact CZ2-O 3.2Å; T14-C110 HydrophobicContact CG2-CB 3.95Å; R106-C110 WeakPolarHBondContact O-CB 3.44Å; R106-C110 PolarHBondContact O-N 3.4Å; C107-C110 WeakPolarHBondContact O-CB 3.5Å; C107-C110 PolarHBondContact O-N 3.25Å; Y108-C110 VanDerWaalsContact C-N 3.27Å; Y108-C110 PolarHBondContact O-N 2.9Å; C110-G114 PolarHBondContact O-N 3.37Å
111L80.6Confident79.3Confident4 Ų449.2 Ų49.22%0.02125%0.253CS..Hα-helixtrans-62.1-45.5175.8-72.5168.4000112.9F11 T14 T15 A18 C107 Y108 N109 G114 Y115 L145F11-L111 HydrophobicContact CD2-CD2 4.13Å; F11-L111 HydrophobicContact CE2-CD2 3.99Å; T14-L111 HydrophobicContact CG2-CD1 4.45Å; T14-L111 HydrophobicContact CG2-CD2 3.76Å; T14-L111 HydrophobicContact CG2-CG 3.65Å; T15-L111 VanDerWaalsContact OG1-CD2 3.27Å; T15-L111 WeakPolarHBondContact OG1-CD2 3.35Å; A18-L111 HydrophobicContact CB-CD1 3.61Å; C107-L111 WeakPolarHBondContact O-CG 3.2Å; C107-L111 PolarHBondContact O-N 2.92Å; Y108-L111 CarbonylContact O-C 3.59Å; Y108-L111 WeakPolarHBondContact O-CA 3.5Å; Y108-L111 WeakPolarHBondContact O-CB 3.49Å; Y108-L111 PolarHBondContact O-N 2.98Å; N109-L111 PolarHBondContact O-N 3.4Å; L111-G114 PolarHBondContact O-N 3.14Å; L111-Y115 WeakPolarHBondContact O-CB 3.48Å; L111-Y115 PolarHBondContact O-N 2.86Å; L111-L145 HydrophobicContact CD1-CD2 4.42Å
112A79Confident78.1Confident41 Ų4150.4 Ų50.434%0.33926%0.264SS..Hα-helixtrans-62.9-45.6-179.200000111.1Y108 N109 G116Y108-A112 WeakPolarHBondContact O-CB 3.3Å; Y108-A112 PolarHBondContact O-N 3.49Å; N109-A112 PolarHBondContact O-N 3.04Å; A112-G116 PolarHBondContact O-N 3.41Å
113E79.3Confident76.9Confident113 Ų11352.6 Ų52.653%0.52828%0.276SS..Hα-helixtrans-61.8-45.7174.1-75.1179.1-163.700111.9N109 G116 A117N109-E113 WeakPolarHBondContact O-CB 3.33Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å; N109-E113 PolarHBondContact O-N 2.99Å; E113-G116 PolarHBondContact O-N 3.39Å; E113-A117 WeakPolarHBondContact O-CB 3.2Å; E113-A117 PolarHBondContact O-N 3.43Å
114G74.4Confident75.6Confident0 Ų052.9 Ų52.90%028%0.276CS..Hα-helixtrans-63.1-46.6179.700000113.1W6 C110 L111 A117 I118W6-G114 VanDerWaalsContact CD2-CA 3.45Å; W6-G114 VanDerWaalsContact NE1-CA 3.26Å; C110-G114 PolarHBondContact O-N 3.37Å; L111-G114 PolarHBondContact O-N 3.14Å; G114-A117 PolarHBondContact O-N 2.99Å; G114-I118 WeakPolarHBondContact O-CD1 3.43Å; G114-I118 WeakPolarHBondContact O-CG1 3.38Å; G114-I118 PolarHBondContact O-N 3.02Å
115Y71.2Confident74.6Confident13 Ų1354.7 Ų54.75%0.05129%0.285CS..Hα-helixtrans-63.2-44.7177.2-173.8-114.7000111.6L111 A117 I118 D119 L124 I138 F139L111-Y115 WeakPolarHBondContact O-CB 3.48Å; L111-Y115 PolarHBondContact O-N 2.86Å; Y115-A117 PolarHBondContact O-N 3.47Å; Y115-I118 PolarHBondContact O-N 3.21Å; Y115-D119 HydrophobicContact CD2-CB 3.9Å; Y115-D119 HydrophobicContact CE1-CB 4.27Å; Y115-D119 HydrophobicContact CE2-CB 3.49Å; Y115-D119 VanDerWaalsContact CE2-CB 3.49Å; Y115-D119 HydrophobicContact CG-CB 4.44Å; Y115-D119 VanDerWaalsContact O-CB 3.3Å; Y115-D119 WeakPolarHBondContact O-CB 3.47Å; Y115-D119 PolarHBondContact O-N 2.71Å; Y115-D119 PolarHBondContact OH-OD2 2.89Å; Y115-L124 HydrophobicContact CD2-CD2 4.28Å; Y115-L124 HydrophobicContact CE2-CD2 4.47Å; Y115-I138 HydrophobicContact CD1-CG2 4.07Å; Y115-I138 HydrophobicContact CD2-CB 3.82Å; Y115-I138 HydrophobicContact CD2-CD1 3.61Å; Y115-I138 HydrophobicContact CD2-CG1 4.31Å; Y115-I138 HydrophobicContact CD2-CG2 3.4Å; Y115-I138 HydrophobicContact CE1-CB 4.45Å; Y115-I138 HydrophobicContact CE1-CG2 4.26Å; Y115-I138 HydrophobicContact CE2-CB 3.53Å; Y115-I138 HydrophobicContact CE2-CD1 3.48Å; Y115-I138 VanDerWaalsContact CE2-CD1 3.48Å; Y115-I138 HydrophobicContact CE2-CG1 4.03Å; Y115-I138 HydrophobicContact CE2-CG2 3.67Å; Y115-I138 HydrophobicContact CG-CB 4.4Å; Y115-I138 HydrophobicContact CG-CG2 3.61Å; Y115-F139 HydrophobicContact CD1-CE1 4.3Å; Y115-F139 HydrophobicContact CD1-CZ 4.47Å; Y115-F139 AromaticContact CE1-CD1 3.71Å; Y115-F139 HydrophobicContact CE1-CD1 3.71Å; Y115-F139 AromaticContact CE1-CD2 3.76Å; Y115-F139 HydrophobicContact CE1-CD2 3.76Å; Y115-F139 AromaticContact CE1-CE1 3.49Å; Y115-F139 HydrophobicContact CE1-CE1 3.49Å; Y115-F139 VanDerWaalsContact CE1-CE1 3.49Å; Y115-F139 AromaticContact CE1-CE2 3.53Å; Y115-F139 HydrophobicContact CE1-CE2 3.53Å; Y115-F139 AromaticContact CE1-CG 3.85Å; Y115-F139 HydrophobicContact CE1-CG 3.85Å; Y115-F139 AromaticContact CE1-CZ 3.39Å; Y115-F139 HydrophobicContact CE1-CZ 3.39Å; Y115-F139 AromaticContact CZ-CD2 3.8Å; Y115-F139 AromaticContact CZ-CE2 3.62Å; Y115-F139 AromaticContact CZ-CZ 3.95Å; Y115-F139 WeakPolarHBondContact OH-CD2 3.46Å; Y115-F139 WeakPolarHBondContact OH-CE2 3.36Å
116G72.3Confident73.6Confident48 Ų4857.6 Ų57.650%0.49530%0.297SS..Hα-helixtrans-61.4-28.8174.300000113.9A112 E113 R120A112-G116 PolarHBondContact O-N 3.41Å; E113-G116 PolarHBondContact O-N 3.39Å; G116-R120 WeakPolarHBondContact O-CG 3.4Å
117A71Confident72.5Confident17 Ų1756.7 Ų56.714%0.1429%0.294CS..Hα-helixtrans-77.9-40.8175.900000113.2A3 E113 G114 Y115A3-A117 HydrophobicContact CB-CB 4.26Å; E113-A117 WeakPolarHBondContact O-CB 3.2Å; E113-A117 PolarHBondContact O-N 3.43Å; G114-A117 PolarHBondContact O-N 2.99Å; Y115-A117 PolarHBondContact O-N 3.47Å
118I64.1Low71.5Confident43 Ų4356.4 Ų56.422%0.22129%0.291CS..Hα-helixtrans-87.1-35.9-174.2-51.4155.5000112.1W6 G114 Y115 R120 L124W6-I118 HydrophobicContact CB-CD1 3.36Å; W6-I118 HydrophobicContact CB-CG1 3.49Å; W6-I118 VanDerWaalsContact CB-CG1 3.49Å; W6-I118 HydrophobicContact CD2-CD1 4.05Å; W6-I118 HydrophobicContact CE3-CD1 3.93Å; W6-I118 HydrophobicContact CG-CD1 3.83Å; W6-I118 HydrophobicContact CG-CG1 4.09Å; G114-I118 WeakPolarHBondContact O-CD1 3.43Å; G114-I118 WeakPolarHBondContact O-CG1 3.38Å; G114-I118 PolarHBondContact O-N 3.02Å; Y115-I118 PolarHBondContact O-N 3.21Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.26Å; I118-L124 HydrophobicContact CB-CD2 4.09Å; I118-L124 HydrophobicContact CD1-CD2 4.06Å; I118-L124 HydrophobicContact CG2-CB 4.02Å; I118-L124 HydrophobicContact CG2-CD2 3.79Å; I118-L124 HydrophobicContact CG2-CG 4.35Å
119D65.8Low70.5Confident20 Ų2059.9 Ų59.911%0.10731%0.307CS..  trans-93.423.8-171.4-15549.5000113.6Y115 N121 G122 L123 L124 H125Y115-D119 HydrophobicContact CD2-CB 3.9Å; Y115-D119 HydrophobicContact CE1-CB 4.27Å; Y115-D119 HydrophobicContact CE2-CB 3.49Å; Y115-D119 VanDerWaalsContact CE2-CB 3.49Å; Y115-D119 HydrophobicContact CG-CB 4.44Å; Y115-D119 VanDerWaalsContact O-CB 3.3Å; Y115-D119 WeakPolarHBondContact O-CB 3.47Å; Y115-D119 PolarHBondContact O-N 2.71Å; Y115-D119 PolarHBondContact OH-OD2 2.89Å; D119-N121 PolarHBondContact O-N 2.81Å; D119-G122 PolarHBondContact O-N 3.01Å; D119-G122 WeakPolarHBondContact OD1-CA 3.34Å; D119-L123 PolarHBondContact OD1-N 3.49Å; D119-L124 PolarHBondContact OD1-N 2.93Å; D119-H125 PolarHBondContact OD1-N 3.5Å; D119-H125 VanDerWaalsContact OD1-N 3.11Å
120R62.6Low69.8Low200 Ų20065.6 Ų65.676%0.75532%0.323SS*.THydrogen-bonded Turntrans-52.9-26.1177-69.7-174.5-176.3-1731.7113.5G116 I118G116-R120 WeakPolarHBondContact O-CG 3.4Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.26Å
121N61.4Low68.9Low134 Ų13471.8 Ų71.872%0.71734%0.342SS*.THydrogen-bonded Turntrans-117.911.3-179-62.2-9.5000113.6D119 L123D119-N121 PolarHBondContact O-N 2.81Å; N121-L123 HydrophobicContact CB-CD1 4.11Å; N121-L123 HydrophobicContact CB-CG 4.06Å; N121-L123 PolarHBondContact O-N 3.34Å
122G65.9Low68Low25 Ų2572.9 Ų72.926%0.25835%0.349SS..SBendtrans681.3-176.600000115.4D119 L124 H125 E126D119-G122 PolarHBondContact O-N 3.01Å; D119-G122 WeakPolarHBondContact OD1-CA 3.34Å; G122-L124 PolarHBondContact O-N 3.07Å; G122-H125 PolarHBondContact O-N 3.38Å; G122-E126 WeakPolarHBondContact O-CB 3.47Å; G122-E126 WeakPolarHBondContact O-CG 3.37Å; G122-E126 PolarHBondContact O-N 2.84Å
123L66.1Low67.3Low100 Ų10075.7 Ų75.752%0.52436%0.364SS..Hα-helixtrans-70.3-28.4-172.3-71.2172.8000113.4D119 N121 R127D119-L123 PolarHBondContact OD1-N 3.49Å; N121-L123 HydrophobicContact CB-CD1 4.11Å; N121-L123 HydrophobicContact CB-CG 4.06Å; N121-L123 PolarHBondContact O-N 3.34Å; L123-R127 VanDerWaalsContact O-CB 3.31Å; L123-R127 WeakPolarHBondContact O-CB 3.48Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.25Å; L123-R127 PolarHBondContact O-N 3.43Å; L123-R127 VanDerWaalsContact O-N 3.13Å; L123-R127 PolarHBondContact O-NE 3.1Å
124L65.1Low66.9Low13 Ų1379.9 Ų79.97%0.06838%0.381CS..Hα-helixtrans-74.3-46.7175.5178.465.1000109.2Y115 I118 D119 G122 E126 R127 L128 I138Y115-L124 HydrophobicContact CD2-CD2 4.28Å; Y115-L124 HydrophobicContact CE2-CD2 4.47Å; I118-L124 HydrophobicContact CB-CD2 4.09Å; I118-L124 HydrophobicContact CD1-CD2 4.06Å; I118-L124 HydrophobicContact CG2-CB 4.02Å; I118-L124 HydrophobicContact CG2-CD2 3.79Å; I118-L124 HydrophobicContact CG2-CG 4.35Å; D119-L124 PolarHBondContact OD1-N 2.93Å; G122-L124 PolarHBondContact O-N 3.07Å; L124-E126 PolarHBondContact O-N 3.46Å; L124-R127 PolarHBondContact O-N 3.42Å; L124-L128 HydrophobicContact CD1-CD1 4.05Å; L124-L128 HydrophobicContact CD1-CG 4.27Å; L124-L128 HydrophobicContact CG-CD1 3.96Å; L124-L128 WeakPolarHBondContact O-CB 3.44Å; L124-L128 VanDerWaalsContact O-CG 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.34Å; L124-L128 PolarHBondContact O-N 3.27Å; L124-I138 HydrophobicContact CD2-CD1 3.78Å; L124-I138 HydrophobicContact CG-CD1 4.11Å
125H66.5Low66.6Low37 Ų3781.7 Ų81.717%0.17139%0.387CS..Hα-helixtrans-54.1-51.5174.3-177.499.7000111.6D119 G122 R127 L128 K129 S137D119-H125 PolarHBondContact OD1-N 3.5Å; D119-H125 VanDerWaalsContact OD1-N 3.11Å; G122-H125 PolarHBondContact O-N 3.38Å; H125-R127 PolarHBondContact O-N 3.11Å; H125-L128 PolarHBondContact O-N 3.36Å; H125-K129 VanDerWaalsContact O-CB 3.3Å; H125-K129 WeakPolarHBondContact O-CB 3.17Å; H125-K129 PolarHBondContact O-N 3.29Å; H125-S137 WeakPolarHBondContact CE1-CB 3.49Å
126E67.6Low66.4Low79 Ų7981.7 Ų81.737%0.36939%0.389SS..Hα-helixtrans-63-41.8180-77.6-60.5129.800112.9G122 L124 L128 K129 R130G122-E126 WeakPolarHBondContact O-CB 3.47Å; G122-E126 WeakPolarHBondContact O-CG 3.37Å; G122-E126 PolarHBondContact O-N 2.84Å; L124-E126 PolarHBondContact O-N 3.46Å; E126-L128 PolarHBondContact O-N 2.96Å; E126-K129 PolarHBondContact O-N 3.02Å; E126-R130 WeakPolarHBondContact O-CB 3.48Å; E126-R130 VanDerWaalsContact O-CG 3.25Å; E126-R130 WeakPolarHBondContact O-CG 3.33Å; E126-R130 PolarHBondContact O-N 2.87Å
127R67.9Low66.5Low139 Ų13980.5 Ų80.553%0.52537%0.373SS..Hα-helixtrans-62.5-42.8176.3-81.2-177.1-74.5174.9-4.1111.9L123 L124 H125 R131L123-R127 VanDerWaalsContact O-CB 3.31Å; L123-R127 WeakPolarHBondContact O-CB 3.48Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.25Å; L123-R127 PolarHBondContact O-N 3.43Å; L123-R127 VanDerWaalsContact O-N 3.13Å; L123-R127 PolarHBondContact O-NE 3.1Å; L124-R127 PolarHBondContact O-N 3.42Å; H125-R127 PolarHBondContact O-N 3.11Å; R127-R131 WeakPolarHBondContact O-CG 3.47Å; R127-R131 PolarHBondContact O-N 2.9Å
128L63.8Low66.5Low11 Ų1179.9 Ų79.96%0.05837%0.368CS..Hα-helixtrans-69-41.2178.4-70.3173.1000111.9L124 H125 E126 R131 T132 I138 F205L124-L128 HydrophobicContact CD1-CD1 4.05Å; L124-L128 HydrophobicContact CD1-CG 4.27Å; L124-L128 HydrophobicContact CG-CD1 3.96Å; L124-L128 WeakPolarHBondContact O-CB 3.44Å; L124-L128 VanDerWaalsContact O-CG 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.34Å; L124-L128 PolarHBondContact O-N 3.27Å; H125-L128 PolarHBondContact O-N 3.36Å; E126-L128 PolarHBondContact O-N 2.96Å; L128-R131 PolarHBondContact O-N 3.38Å; L128-T132 PolarHBondContact O-N 2.87Å; L128-T132 PolarHBondContact O-OG1 3.37Å; L128-I138 HydrophobicContact CD1-CD1 3.34Å; L128-I138 HydrophobicContact CD1-CG1 3.9Å; L128-F205 HydrophobicContact CD1-CZ 4.11Å; L128-F205 HydrophobicContact CD2-CE2 4.42Å; L128-F205 HydrophobicContact CD2-CZ 3.88Å; L128-F205 HydrophobicContact CG-CZ 4.48Å
129K67.1Low67Low117 Ų11783.9 Ų83.951%0.50938%0.383SS..Hα-helixtrans-65-41.8177.9-167.9174.8-175.4176.80112H125 E126 R131 T132 P133H125-K129 VanDerWaalsContact O-CB 3.3Å; H125-K129 WeakPolarHBondContact O-CB 3.17Å; H125-K129 PolarHBondContact O-N 3.29Å; E126-K129 PolarHBondContact O-N 3.02Å; K129-R131 PolarHBondContact O-N 3.35Å; K129-T132 CarbonylContact O-C 3.27Å; K129-T132 VanDerWaalsContact O-C 3.27Å; K129-T132 PolarHBondContact O-N 3.38Å; K129-P133 VanDerWaalsContact O-CA 3.29Å; K129-P133 WeakPolarHBondContact O-CA 3.37Å; K129-P133 VanDerWaalsContact O-N 3.12Å
130R70Confident67.6Low198 Ų19887.2 Ų87.275%0.74740%0.399SS*.Hα-helixtrans-61.5-43.2174.1-74.5176.7-168.9-169.22.4112.3E126 T132E126-R130 WeakPolarHBondContact O-CB 3.48Å; E126-R130 VanDerWaalsContact O-CG 3.25Å; E126-R130 WeakPolarHBondContact O-CG 3.33Å; E126-R130 PolarHBondContact O-N 2.87Å; R130-T132 VanDerWaalsContact C-N 3.32Å
131R64.9Low68.3Low155 Ų15577.9 Ų77.959%0.58536%0.364SS*.Hα-helixtrans-69.9-31.1177.5-72.8179174.1179.1-3.3112E8 R127 L128 K129E8-R131 IonicContact OE1-NH1 3.59Å; E8-R131 IonicContact OE2-NH1 3.45Å; R127-R131 WeakPolarHBondContact O-CG 3.47Å; R127-R131 PolarHBondContact O-N 2.9Å; L128-R131 PolarHBondContact O-N 3.38Å; K129-R131 PolarHBondContact O-N 3.35Å
132T62.6Low69.2Low27 Ų2772.3 Ų72.317%0.16634%0.335CS..  trans-143.672.3-170.859.20000113.8L128 K129 R130 K134 R135L128-T132 PolarHBondContact O-N 2.87Å; L128-T132 PolarHBondContact O-OG1 3.37Å; K129-T132 CarbonylContact O-C 3.27Å; K129-T132 VanDerWaalsContact O-C 3.27Å; K129-T132 PolarHBondContact O-N 3.38Å; R130-T132 VanDerWaalsContact C-N 3.32Å; T132-K134 VanDerWaalsContact C-N 3.29Å; T132-K134 PolarHBondContact O-N 2.87Å; T132-K134 VanDerWaalsContact O-N 3.15Å; T132-R135 VanDerWaalsContact CB-CD 3.44Å; T132-R135 HydrophobicContact CG2-CG 4.47Å; T132-R135 WeakPolarHBondContact O-CB 3.36Å; T132-R135 PolarHBondContact O-N 3.18Å
133P64.1Low70.1Confident101 Ų10174 Ų7466%0.65634%0.343SS*.THydrogen-bonded Turntrans-64.5-26.1-168-22.732.5000115.7K129 R135K129-P133 VanDerWaalsContact O-CA 3.29Å; K129-P133 WeakPolarHBondContact O-CA 3.37Å; K129-P133 VanDerWaalsContact O-N 3.12Å; P133-R135 VanDerWaalsContact C-N 3.34Å
134K70.4Confident71Confident201 Ų20171.1 Ų71.187%0.87433%0.325SS*.THydrogen-bonded Turntrans-90.23.2179.9-64.5-172.1177.8-176.40113.4T132T132-K134 VanDerWaalsContact C-N 3.29Å; T132-K134 PolarHBondContact O-N 2.87Å; T132-K134 VanDerWaalsContact O-N 3.15Å
135R67.1Low71.9Confident37 Ų3770.6 Ų70.614%0.1432%0.322CS..SBendtrans-95.5148.4-177-66.9-165.8-172.8-179.7-22.1110.6T132 P133 H204 F205 K208T132-R135 VanDerWaalsContact CB-CD 3.44Å; T132-R135 HydrophobicContact CG2-CG 4.47Å; T132-R135 WeakPolarHBondContact O-CB 3.36Å; T132-R135 PolarHBondContact O-N 3.18Å; P133-R135 VanDerWaalsContact C-N 3.34Å; R135-H204 PolarHBondContact NH2-O 3.03Å; R135-F205 HydrophobicContact CB-CD2 4.18Å; R135-F205 VanDerWaalsContact CD-CD2 3.4Å; R135-F205 HydrophobicContact CG-CD2 4.45Å; R135-F205 VanDerWaalsContact CZ-CA 3.49Å; R135-F205 PolarHBondContact NH1-O 3.03Å; R135-F205 PolarHBondContact NH2-O 3.07Å; R135-K208 VanDerWaalsContact NH2-CD 3.3Å; R135-K208 VanDerWaalsContact NH2-CG 3.35Å
136P69Low72.9Confident13 Ų1371.7 Ų71.78%0.08433%0.329CS..PPolyproline II helixtrans-61.1144.9173.125.5-31.9000110E140 M141 W144 F201P136-E140 WeakPolarHBondContact CA-OE2 3.36Å; P136-E140 HydrophobicContact CB-CB 3.89Å; P136-M141 HydrophobicContact CB-CG 4.28Å; P136-M141 HydrophobicContact CG-CE 3.72Å; P136-M141 HydrophobicContact CG-CG 4.05Å; P136-M141 WeakPolarHBondContact O-CE 3.42Å; P136-W144 HydrophobicContact CB-CE3 4.48Å; P136-W144 HydrophobicContact CB-CH2 3.31Å; P136-W144 HydrophobicContact CB-CZ2 4.01Å; P136-W144 HydrophobicContact CB-CZ3 3.59Å; P136-W144 HydrophobicContact CG-CH2 3.59Å; P136-W144 HydrophobicContact CG-CZ3 3.48Å; P136-W144 VanDerWaalsContact CG-CZ3 3.48Å; P136-F201 HydrophobicContact CG-CB 4.08Å
137S72.5Confident73.8Confident24 Ų2470.8 Ų70.817%0.16833%0.327CS..PPolyproline II helixtrans-62.8160.1168.161.20000111.5H125 F139 E140 M141H125-S137 WeakPolarHBondContact CE1-CB 3.49Å; S137-F139 PolarHBondContact O-N 2.86Å; S137-E140 WeakPolarHBondContact CB-OE2 3.4Å; S137-E140 PolarHBondContact N-OE2 3.19Å; S137-E140 PolarHBondContact O-N 3.36Å; S137-E140 VanDerWaalsContact O-N 3.13Å; S137-E140 WeakPolarHBondContact OG-CB 3.38Å; S137-E140 VanDerWaalsContact OG-CG 3.25Å; S137-E140 WeakPolarHBondContact OG-CG 3.24Å; S137-E140 PolarHBondContact OG-N 2.99Å; S137-E140 VanDerWaalsContact OG-N 3.09Å; S137-E140 PolarHBondContact OG-OE2 3.19Å; S137-M141 WeakPolarHBondContact O-CG 3.36Å; S137-M141 PolarHBondContact O-N 2.87Å
138I71Confident74.6Confident4 Ų464.3 Ų64.32%0.02130%0.303CS..Hα-helixtrans-59.2-39.1173.1-60.9175.6000110.4F11 Y115 L124 L128 E140 M141 C142F11-I138 HydrophobicContact CD1-CD1 4.42Å; F11-I138 HydrophobicContact CD2-CD1 4.47Å; F11-I138 HydrophobicContact CE1-CD1 3.65Å; F11-I138 HydrophobicContact CE1-CG1 3.91Å; F11-I138 HydrophobicContact CE2-CD1 3.71Å; F11-I138 HydrophobicContact CE2-CG1 4.19Å; F11-I138 HydrophobicContact CE2-CG2 3.72Å; F11-I138 HydrophobicContact CZ-CB 4.07Å; F11-I138 HydrophobicContact CZ-CD1 3.27Å; F11-I138 HydrophobicContact CZ-CG1 3.41Å; F11-I138 VanDerWaalsContact CZ-CG1 3.41Å; F11-I138 HydrophobicContact CZ-CG2 3.55Å; Y115-I138 HydrophobicContact CD1-CG2 4.07Å; Y115-I138 HydrophobicContact CD2-CB 3.82Å; Y115-I138 HydrophobicContact CD2-CD1 3.61Å; Y115-I138 HydrophobicContact CD2-CG1 4.31Å; Y115-I138 HydrophobicContact CD2-CG2 3.4Å; Y115-I138 HydrophobicContact CE1-CB 4.45Å; Y115-I138 HydrophobicContact CE1-CG2 4.26Å; Y115-I138 HydrophobicContact CE2-CB 3.53Å; Y115-I138 HydrophobicContact CE2-CD1 3.48Å; Y115-I138 VanDerWaalsContact CE2-CD1 3.48Å; Y115-I138 HydrophobicContact CE2-CG1 4.03Å; Y115-I138 HydrophobicContact CE2-CG2 3.67Å; Y115-I138 HydrophobicContact CG-CB 4.4Å; Y115-I138 HydrophobicContact CG-CG2 3.61Å; L124-I138 HydrophobicContact CD2-CD1 3.78Å; L124-I138 HydrophobicContact CG-CD1 4.11Å; L128-I138 HydrophobicContact CD1-CD1 3.34Å; L128-I138 HydrophobicContact CD1-CG1 3.9Å; I138-E140 PolarHBondContact O-N 3.35Å; I138-M141 PolarHBondContact O-N 2.93Å; I138-C142 WeakPolarHBondContact O-CB 3.31Å; I138-C142 PolarHBondContact O-N 2.72Å; I138-C142 PolarHBondContact O-SG 2.89Å; I138-C142 VanDerWaalsContact O-SG 3.39Å
139F74.7Confident75.7Confident126 Ų12664.1 Ų64.155%0.55330%0.302SS*.Hα-helixtrans-57-46.7173.3-74.7-71.9000112.4Y115 S137 C142 S143Y115-F139 HydrophobicContact CD1-CE1 4.3Å; Y115-F139 HydrophobicContact CD1-CZ 4.47Å; Y115-F139 AromaticContact CE1-CD1 3.71Å; Y115-F139 HydrophobicContact CE1-CD1 3.71Å; Y115-F139 AromaticContact CE1-CD2 3.76Å; Y115-F139 HydrophobicContact CE1-CD2 3.76Å; Y115-F139 AromaticContact CE1-CE1 3.49Å; Y115-F139 HydrophobicContact CE1-CE1 3.49Å; Y115-F139 VanDerWaalsContact CE1-CE1 3.49Å; Y115-F139 AromaticContact CE1-CE2 3.53Å; Y115-F139 HydrophobicContact CE1-CE2 3.53Å; Y115-F139 AromaticContact CE1-CG 3.85Å; Y115-F139 HydrophobicContact CE1-CG 3.85Å; Y115-F139 AromaticContact CE1-CZ 3.39Å; Y115-F139 HydrophobicContact CE1-CZ 3.39Å; Y115-F139 AromaticContact CZ-CD2 3.8Å; Y115-F139 AromaticContact CZ-CE2 3.62Å; Y115-F139 AromaticContact CZ-CZ 3.95Å; Y115-F139 WeakPolarHBondContact OH-CD2 3.46Å; Y115-F139 WeakPolarHBondContact OH-CE2 3.36Å; S137-F139 PolarHBondContact O-N 2.86Å; F139-C142 PolarHBondContact O-N 3.3Å; F139-S143 WeakPolarHBondContact O-CB 3.24Å; F139-S143 PolarHBondContact O-N 3.44Å
140E79.2Confident76.8Confident91 Ų9162.4 Ų62.443%0.42530%0.302SS..Hα-helixtrans-62.4-45.5176-76.2163.9124.600111.1P136 S137 I138 C142 S143 W144P136-E140 WeakPolarHBondContact CA-OE2 3.36Å; P136-E140 HydrophobicContact CB-CB 3.89Å; S137-E140 WeakPolarHBondContact CB-OE2 3.4Å; S137-E140 PolarHBondContact N-OE2 3.19Å; S137-E140 PolarHBondContact O-N 3.36Å; S137-E140 VanDerWaalsContact O-N 3.13Å; S137-E140 WeakPolarHBondContact OG-CB 3.38Å; S137-E140 VanDerWaalsContact OG-CG 3.25Å; S137-E140 WeakPolarHBondContact OG-CG 3.24Å; S137-E140 PolarHBondContact OG-N 2.99Å; S137-E140 VanDerWaalsContact OG-N 3.09Å; S137-E140 PolarHBondContact OG-OE2 3.19Å; I138-E140 PolarHBondContact O-N 3.35Å; E140-C142 VanDerWaalsContact C-N 3.34Å; E140-C142 PolarHBondContact O-N 3.38Å; E140-S143 PolarHBondContact O-N 3.36Å; E140-W144 HydrophobicContact CB-CZ2 4.14Å; E140-W144 WeakPolarHBondContact O-CB 3.44Å; E140-W144 VanDerWaalsContact O-CD1 3.25Å; E140-W144 PolarHBondContact O-N 3.02Å
141M78.1Confident77.6Confident4 Ų455 Ų552%0.0228%0.278CS..Hα-helixtrans-61.2-42177.1-67.5-176.4-162.500112.6T15 F19 P136 S137 I138 W144 L145 F205T15-M141 HydrophobicContact CG2-SD 4.26Å; F19-M141 HydrophobicContact CE2-CB 4.25Å; F19-M141 HydrophobicContact CZ-CB 4.19Å; F19-M141 WeakPolarHBondContact CZ-O 3.45Å; P136-M141 HydrophobicContact CB-CG 4.28Å; P136-M141 HydrophobicContact CG-CE 3.72Å; P136-M141 HydrophobicContact CG-CG 4.05Å; P136-M141 WeakPolarHBondContact O-CE 3.42Å; S137-M141 WeakPolarHBondContact O-CG 3.36Å; S137-M141 PolarHBondContact O-N 2.87Å; I138-M141 PolarHBondContact O-N 2.93Å; M141-W144 PolarHBondContact O-N 3.34Å; M141-L145 WeakPolarHBondContact O-CB 3.49Å; M141-L145 PolarHBondContact O-N 3.43Å; M141-F205 HydrophobicContact CE-CB 3.67Å; M141-F205 HydrophobicContact CE-CD1 3.88Å; M141-F205 HydrophobicContact CE-CD2 3.42Å; M141-F205 VanDerWaalsContact CE-CD2 3.42Å; M141-F205 HydrophobicContact CE-CE1 4.38Å; M141-F205 HydrophobicContact CE-CE2 4.01Å; M141-F205 HydrophobicContact CE-CG 3.38Å; M141-F205 HydrophobicContact CE-CZ 4.45Å; M141-F205 HydrophobicContact SD-CD1 4.49Å; M141-F205 HydrophobicContact SD-CG 4.5Å
142C80.3Confident78.7Confident17 Ų1747.6 Ų47.612%0.11525%0.25CS..Hα-helixtrans-63.6-46.7175.8-75.90000110.8Y108 I138 F139 E140 W144 L145 D146Y108-C142 HydrophobicContact CE2-CB 4.08Å; Y108-C142 WeakPolarHBondContact CE2-O 3.2Å; I138-C142 WeakPolarHBondContact O-CB 3.31Å; I138-C142 PolarHBondContact O-N 2.72Å; I138-C142 PolarHBondContact O-SG 2.89Å; I138-C142 VanDerWaalsContact O-SG 3.39Å; F139-C142 PolarHBondContact O-N 3.3Å; E140-C142 VanDerWaalsContact C-N 3.34Å; E140-C142 PolarHBondContact O-N 3.38Å; C142-W144 VanDerWaalsContact C-N 3.32Å; C142-W144 PolarHBondContact O-N 3.13Å; C142-L145 PolarHBondContact O-N 2.96Å; C142-D146 WeakPolarHBondContact O-CB 3.39Å; C142-D146 PolarHBondContact O-N 3.1Å
143S83.9Confident80Confident61 Ų6150.6 Ų50.643%0.42726%0.259SS..Hα-helixtrans-60-42.3176.3-177.90000111.9F139 E140 D146 D147F139-S143 WeakPolarHBondContact O-CB 3.24Å; F139-S143 PolarHBondContact O-N 3.44Å; E140-S143 PolarHBondContact O-N 3.36Å; S143-D146 PolarHBondContact O-N 2.9Å; S143-D147 WeakPolarHBondContact O-CB 3.5Å; S143-D147 VanDerWaalsContact O-CG 3.28Å; S143-D147 PolarHBondContact O-N 2.94Å
144W84.9Confident81.3Confident38 Ų3850.6 Ų50.614%0.14425%0.25CS..Hα-helixtrans-66.6-40.2178-67-10.1000112.9P136 E140 M141 C142 V148 Y198 F201P136-W144 HydrophobicContact CB-CE3 4.48Å; P136-W144 HydrophobicContact CB-CH2 3.31Å; P136-W144 HydrophobicContact CB-CZ2 4.01Å; P136-W144 HydrophobicContact CB-CZ3 3.59Å; P136-W144 HydrophobicContact CG-CH2 3.59Å; P136-W144 HydrophobicContact CG-CZ3 3.48Å; P136-W144 VanDerWaalsContact CG-CZ3 3.48Å; E140-W144 HydrophobicContact CB-CZ2 4.14Å; E140-W144 WeakPolarHBondContact O-CB 3.44Å; E140-W144 VanDerWaalsContact O-CD1 3.25Å; E140-W144 PolarHBondContact O-N 3.02Å; M141-W144 PolarHBondContact O-N 3.34Å; C142-W144 VanDerWaalsContact C-N 3.32Å; C142-W144 PolarHBondContact O-N 3.13Å; W144-V148 WeakPolarHBondContact O-CG2 3.36Å; W144-V148 PolarHBondContact O-N 3.19Å; W144-Y198 HydrophobicContact CB-CD1 4.14Å; W144-Y198 HydrophobicContact CB-CD2 3.44Å; W144-Y198 VanDerWaalsContact CB-CD2 3.44Å; W144-Y198 HydrophobicContact CB-CE1 4.4Å; W144-Y198 HydrophobicContact CB-CE2 3.7Å; W144-Y198 HydrophobicContact CB-CG 3.65Å; W144-Y198 AromaticContact CD1-CE1 3.56Å; W144-Y198 AromaticContact CD1-CE2 3.72Å; W144-Y198 AromaticContact CD1-CZ 3.34Å; W144-Y198 AromaticContact CD2-CD1 3.33Å; W144-Y198 HydrophobicContact CD2-CD1 3.33Å; W144-Y198 HydrophobicContact CD2-CD2 4.31Å; W144-Y198 AromaticContact CD2-CE1 3.56Å; W144-Y198 HydrophobicContact CD2-CE1 3.56Å; W144-Y198 HydrophobicContact CD2-CE2 4.44Å; W144-Y198 AromaticContact CD2-CG 3.75Å; W144-Y198 HydrophobicContact CD2-CG 3.75Å; W144-Y198 AromaticContact CE2-CD1 3.71Å; W144-Y198 AromaticContact CE2-CE1 3.5Å; W144-Y198 AromaticContact CE3-CD1 3.55Å; W144-Y198 HydrophobicContact CE3-CD1 3.55Å; W144-Y198 HydrophobicContact CE3-CE1 4.22Å; W144-Y198 AromaticContact CE3-CG 3.86Å; W144-Y198 HydrophobicContact CE3-CG 3.86Å; W144-Y198 AromaticContact CG-CD1 3.6Å; W144-Y198 HydrophobicContact CG-CD1 3.6Å; W144-Y198 AromaticContact CG-CD2 3.72Å; W144-Y198 HydrophobicContact CG-CD2 3.72Å; W144-Y198 AromaticContact CG-CE1 3.6Å; W144-Y198 HydrophobicContact CG-CE1 3.6Å; W144-Y198 AromaticContact CG-CE2 3.67Å; W144-Y198 HydrophobicContact CG-CE2 3.67Å; W144-Y198 AromaticContact CG-CG 3.65Å; W144-Y198 HydrophobicContact CG-CG 3.65Å; W144-Y198 AromaticContact CG-CZ 3.61Å; W144-Y198 HydrophobicContact CH2-CD1 4.33Å; W144-Y198 HydrophobicContact CZ2-CD1 4.22Å; W144-Y198 HydrophobicContact CZ2-CE1 4.11Å; W144-Y198 HydrophobicContact CZ3-CD1 4.02Å; W144-Y198 AromaticContact NE1-CE1 3.51Å; W144-Y198 AromaticContact NE1-CZ 3.69Å; W144-F201 HydrophobicContact CH2-CB 4.47Å; W144-F201 HydrophobicContact CH2-CD2 4.08Å; W144-F201 HydrophobicContact CH2-CG 4.42Å; W144-F201 HydrophobicContact CZ3-CB 3.89Å; W144-F201 HydrophobicContact CZ3-CD2 4.15Å; W144-F201 HydrophobicContact CZ3-CG 4.3Å
145L83.5Confident82.3Confident2 Ų242.1 Ų42.11%0.0121%0.214CC..Hα-helixtrans-66.8-41175.5179.658.4000110.7A18 F19 A22 Y108 L111 M141 C142 V148 L149A18-L145 HydrophobicContact CB-CD2 3.51Å; F19-L145 HydrophobicContact CD2-CD2 4.43Å; F19-L145 HydrophobicContact CE2-CB 4.15Å; F19-L145 HydrophobicContact CE2-CD2 4.31Å; F19-L145 HydrophobicContact CZ-CB 4.06Å; A22-L145 HydrophobicContact CB-CD1 3.61Å; Y108-L145 HydrophobicContact CD2-CB 4.43Å; Y108-L145 HydrophobicContact CD2-CD2 3.86Å; Y108-L145 HydrophobicContact CD2-CG 4.13Å; Y108-L145 HydrophobicContact CG-CD2 4.36Å; L111-L145 HydrophobicContact CD1-CD2 4.42Å; M141-L145 WeakPolarHBondContact O-CB 3.49Å; M141-L145 PolarHBondContact O-N 3.43Å; C142-L145 PolarHBondContact O-N 2.96Å; L145-V148 PolarHBondContact O-N 2.98Å; L145-L149 HydrophobicContact CD1-CD1 4.16Å; L145-L149 HydrophobicContact CD1-CG 4.13Å; L145-L149 HydrophobicContact CG-CD1 4.04Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.2Å; L145-L149 PolarHBondContact O-N 2.71Å
146D88Confident83.4Confident60 Ų6040.4 Ų40.432%0.32121%0.207SC..Hα-helixtrans-61.1-45.2174.9-166.276000111.8Y108 C142 S143 V148 L149 T150Y108-D146 WeakPolarHBondContact CE1-OD1 3.36Å; Y108-D146 HydrophobicContact CE2-CB 4.17Å; Y108-D146 PolarHBondContact OH-OD1 3.26Å; C142-D146 WeakPolarHBondContact O-CB 3.39Å; C142-D146 PolarHBondContact O-N 3.1Å; S143-D146 PolarHBondContact O-N 2.9Å; D146-V148 VanDerWaalsContact C-N 3.33Å; D146-V148 PolarHBondContact O-N 2.73Å; D146-L149 PolarHBondContact O-N 3.5Å; D146-T150 VanDerWaalsContact O-CB 3.31Å; D146-T150 WeakPolarHBondContact O-CB 3.37Å; D146-T150 PolarHBondContact O-N 3.27Å; D146-T150 PolarHBondContact O-OG1 3.36Å
147D87.1Confident84.5Confident60 Ų6042.5 Ų42.532%0.32122%0.22SC..Hα-helixtrans-57.2-45.7174.2-76.1-13.1000111.7S143 T151S143-D147 WeakPolarHBondContact O-CB 3.5Å; S143-D147 VanDerWaalsContact O-CG 3.28Å; S143-D147 PolarHBondContact O-N 2.94Å; D147-T151 WeakPolarHBondContact O-CB 3.1Å; D147-T151 PolarHBondContact O-N 3.46Å; D147-T151 PolarHBondContact O-OG1 2.88Å
148V84Confident85.3Confident4 Ų445.8 Ų45.82%0.02423%0.232CC..Hα-helixtrans-62.4-48.8177.7172.40000110.1A22 L26 W144 L145 D146 T151 C152 M195 Y198A22-V148 HydrophobicContact CB-CG1 4.13Å; L26-V148 HydrophobicContact CD1-CG1 4.37Å; L26-V148 HydrophobicContact CD2-CG1 4.4Å; L26-V148 HydrophobicContact CG-CG1 4.42Å; W144-V148 WeakPolarHBondContact O-CG2 3.36Å; W144-V148 PolarHBondContact O-N 3.19Å; L145-V148 PolarHBondContact O-N 2.98Å; D146-V148 VanDerWaalsContact C-N 3.33Å; D146-V148 PolarHBondContact O-N 2.73Å; V148-T151 PolarHBondContact O-N 2.94Å; V148-C152 WeakPolarHBondContact O-CB 3.43Å; V148-C152 PolarHBondContact O-N 3.5Å; V148-C152 PolarHBondContact O-SG 3.13Å; V148-M195 HydrophobicContact CG2-CB 4.4Å; V148-M195 HydrophobicContact CG2-CG 3.98Å; V148-Y198 HydrophobicContact CG2-CD2 4.26Å
149L88.1Confident86.2Confident6 Ų645.9 Ų45.93%0.03123%0.233CC..Hα-helixtrans-65.8-42.5-177.3-69.3175.9000112.2L25 A104 Y108 L145 D146 R153L25-L149 HydrophobicContact CD2-CD2 4.22Å; A104-L149 HydrophobicContact CB-CD1 4.39Å; A104-L149 HydrophobicContact CB-CD2 3.4Å; A104-L149 VanDerWaalsContact CB-CD2 3.4Å; A104-L149 HydrophobicContact CB-CG 4.49Å; Y108-L149 HydrophobicContact CG-CD1 4.31Å; L145-L149 HydrophobicContact CD1-CD1 4.16Å; L145-L149 HydrophobicContact CD1-CG 4.13Å; L145-L149 HydrophobicContact CG-CD1 4.04Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.2Å; L145-L149 PolarHBondContact O-N 2.71Å; D146-L149 PolarHBondContact O-N 3.5Å; L149-R153 WeakPolarHBondContact O-CB 3.45Å; L149-R153 WeakPolarHBondContact O-CG 3.05Å; L149-R153 PolarHBondContact O-N 3.09Å
150T89.5Confident86.9Confident82 Ų8244.5 Ų44.550%0.50322%0.224SC..Hα-helixtrans-61.3-48176.7-64.10000110.6D146 R153 Q154D146-T150 VanDerWaalsContact O-CB 3.31Å; D146-T150 WeakPolarHBondContact O-CB 3.37Å; D146-T150 PolarHBondContact O-N 3.27Å; D146-T150 PolarHBondContact O-OG1 3.36Å; T150-R153 PolarHBondContact O-N 3.13Å; T150-Q154 WeakPolarHBondContact O-CB 2.87Å; T150-Q154 PolarHBondContact O-N 3.46Å
151T87.8Confident87.5Confident42 Ų4245.8 Ų45.826%0.25823%0.23SC..Hα-helixtrans-60.5-52.8177.8-53.30000111D147 V148 R153 Q154 E155 M195D147-T151 WeakPolarHBondContact O-CB 3.1Å; D147-T151 PolarHBondContact O-N 3.46Å; D147-T151 PolarHBondContact O-OG1 2.88Å; V148-T151 PolarHBondContact O-N 2.94Å; T151-R153 VanDerWaalsContact C-N 3.34Å; T151-R153 PolarHBondContact O-N 3.24Å; T151-Q154 PolarHBondContact O-N 2.92Å; T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 3.29Å; T151-M195 HydrophobicContact CG2-CE 3.72Å
152C87.6Confident88.1Confident0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-62.6-38.3-178.8-67.40000112.7L25 L26 L29 V148 E155 V156L25-C152 HydrophobicContact CD1-CB 4.47Å; L25-C152 HydrophobicContact CD2-CB 3.41Å; L25-C152 VanDerWaalsContact CD2-CB 3.41Å; L25-C152 HydrophobicContact CG-CB 3.84Å; L26-C152 WeakPolarHBondContact CD2-SG 3.47Å; L29-C152 HydrophobicContact CD1-CB 3.75Å; V148-C152 WeakPolarHBondContact O-CB 3.43Å; V148-C152 PolarHBondContact O-N 3.5Å; V148-C152 PolarHBondContact O-SG 3.13Å; C152-E155 PolarHBondContact O-N 3.22Å; C152-V156 VanDerWaalsContact O-CG2 3.3Å; C152-V156 WeakPolarHBondContact O-CG2 3.42Å; C152-V156 PolarHBondContact O-N 3.39Å
153R90.4Very high88.6Confident89 Ų8946.5 Ų46.534%0.33623%0.232SC..Hα-helixtrans-68.1-39.3177.6-79.2175.3158.9-160.3-13.3112.4A101 D102 T105 L149 T150 T151 E155 V156 T157A101-R153 HydrophobicContact CB-CG 4.09Å; D102-R153 IonicContact OD1-NH2 2.65Å; D102-R153 PolarHBondContact OD1-NH2 2.9Å; D102-R153 VanDerWaalsContact OD1-NH2 3.1Å; T105-R153 PolarHBondContact OG1-NE 3.34Å; T105-R153 PolarHBondContact OG1-NH2 3.02Å; L149-R153 WeakPolarHBondContact O-CB 3.45Å; L149-R153 WeakPolarHBondContact O-CG 3.05Å; L149-R153 PolarHBondContact O-N 3.09Å; T150-R153 PolarHBondContact O-N 3.13Å; T151-R153 VanDerWaalsContact C-N 3.34Å; T151-R153 PolarHBondContact O-N 3.24Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-V156 PolarHBondContact O-N 2.58Å; R153-T157 WeakPolarHBondContact O-CB 3.3Å; R153-T157 PolarHBondContact O-N 2.83Å; R153-T157 PolarHBondContact O-OG1 3.02Å
154Q91.2Very high88.9Confident102 Ų10246.5 Ų46.548%0.47724%0.236SC..Hα-helixtrans-60.5-47.9174-177.958.927.900110T150 T151 V156 T157 E158T150-Q154 WeakPolarHBondContact O-CB 2.87Å; T150-Q154 PolarHBondContact O-N 3.46Å; T151-Q154 PolarHBondContact O-N 2.92Å; Q154-V156 PolarHBondContact O-N 3.39Å; Q154-T157 WeakPolarHBondContact O-CB 3.07Å; Q154-T157 PolarHBondContact O-N 3.14Å; Q154-T157 VanDerWaalsContact O-N 3.15Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.39Å; Q154-E158 PolarHBondContact NE2-OE1 3.47Å; Q154-E158 WeakPolarHBondContact O-CG 3.37Å; Q154-E158 PolarHBondContact O-N 2.65Å
155E90Very high89.3Confident23 Ų2351.9 Ų51.911%0.10726%0.256CS..Hα-helixtrans-61.4-39.9177.5-70.3-178.9-148.600113.4T151 C152 R153 T157 R159 R187T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 3.29Å; C152-E155 PolarHBondContact O-N 3.22Å; R153-E155 VanDerWaalsContact C-N 3.33Å; E155-T157 VanDerWaalsContact C-N 3.34Å; E155-R159 VanDerWaalsContact CB-NH1 3.34Å; E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 VanDerWaalsContact O-CG 3.25Å; E155-R159 WeakPolarHBondContact O-CG 3.45Å; E155-R159 PolarHBondContact O-N 2.93Å; E155-R159 VanDerWaalsContact O-N 3.08Å; E155-R159 IonicContact OE2-CZ 3.37Å; E155-R159 IonicContact OE2-NH1 3.14Å; E155-R159 PolarHBondContact OE2-NH1 2.95Å; E155-R159 IonicContact OE2-NH2 3.59Å; E155-R159 PolarHBondContact OE2-NH2 2.91Å; E155-R187 VanDerWaalsContact OE1-CD 3.25Å; E155-R187 WeakPolarHBondContact OE1-CD 3.35Å; E155-R187 WeakPolarHBondContact OE1-CG 3.18Å; E155-R187 IonicContact OE2-NE 3.72Å
156V90.6Very high89.6Confident0 Ų052.2 Ų52.20%026%0.258CS..Hα-helixtrans-63.1-42.7175169.40000110.8L29 L94 C97 C152 R153 Q154 R160L29-V156 HydrophobicContact CD2-CG2 4.04Å; L94-V156 HydrophobicContact CD2-CG1 4.33Å; L94-V156 HydrophobicContact CD2-CG2 4.49Å; C97-V156 HydrophobicContact CB-CG2 3.7Å; C152-V156 VanDerWaalsContact O-CG2 3.3Å; C152-V156 WeakPolarHBondContact O-CG2 3.42Å; C152-V156 PolarHBondContact O-N 3.39Å; R153-V156 PolarHBondContact O-N 2.58Å; Q154-V156 PolarHBondContact O-N 3.39Å; V156-R160 WeakPolarHBondContact O-CB 3.5Å; V156-R160 WeakPolarHBondContact O-CG 3.37Å; V156-R160 PolarHBondContact O-N 2.81Å
157T91.6Very high89.5Confident58 Ų5853.3 Ų53.336%0.35628%0.276SS..Hα-helixtrans-61.3-51.4177.6-58.10000111R153 Q154 E155 R159 R160 E161R153-T157 WeakPolarHBondContact O-CB 3.3Å; R153-T157 PolarHBondContact O-N 2.83Å; R153-T157 PolarHBondContact O-OG1 3.02Å; Q154-T157 WeakPolarHBondContact O-CB 3.07Å; Q154-T157 PolarHBondContact O-N 3.14Å; Q154-T157 VanDerWaalsContact O-N 3.15Å; E155-T157 VanDerWaalsContact C-N 3.34Å; T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 3.33Å; T157-R160 WeakPolarHBondContact O-CB 3.47Å; T157-R160 PolarHBondContact O-N 3.35Å; T157-R160 VanDerWaalsContact O-N 3.12Å; T157-E161 HydrophobicContact CG2-CG 4.47Å; T157-E161 WeakPolarHBondContact O-CG 3.44Å; T157-E161 PolarHBondContact O-N 3.4Å
158E90Very high89.6Confident93 Ų9357.7 Ų57.744%0.43530%0.298SS..Hα-helixtrans-58.9-42179.9-72172.8-173.500112.3Q154 E161 L162Q154-E158 WeakPolarHBondContact CG-OE1 3.39Å; Q154-E158 PolarHBondContact NE2-OE1 3.47Å; Q154-E158 WeakPolarHBondContact O-CG 3.37Å; Q154-E158 PolarHBondContact O-N 2.65Å; E158-E161 PolarHBondContact O-N 2.76Å; E158-L162 PolarHBondContact O-N 3.03Å
159R89.2Confident89.9Confident6 Ų659.8 Ų59.82%0.02331%0.311CS..Hα-helixtrans-68.3-36177.8-70.5176.9178.6122.1-4.8112.1E33 L94 E155 T157 L162 L163 W185E33-R159 IonicContact OE1-NH2 3.85Å; E33-R159 PolarHBondContact OE1-NH2 3.48Å; L94-R159 HydrophobicContact CD1-CB 3.89Å; L94-R159 HydrophobicContact CD2-CB 3.69Å; L94-R159 HydrophobicContact CG-CB 4.41Å; E155-R159 VanDerWaalsContact CB-NH1 3.34Å; E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 VanDerWaalsContact O-CG 3.25Å; E155-R159 WeakPolarHBondContact O-CG 3.45Å; E155-R159 PolarHBondContact O-N 2.93Å; E155-R159 VanDerWaalsContact O-N 3.08Å; E155-R159 IonicContact OE2-CZ 3.37Å; E155-R159 IonicContact OE2-NH1 3.14Å; E155-R159 PolarHBondContact OE2-NH1 2.95Å; E155-R159 IonicContact OE2-NH2 3.59Å; E155-R159 PolarHBondContact OE2-NH2 2.91Å; T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 3.33Å; R159-L162 PolarHBondContact O-N 2.84Å; R159-L163 PolarHBondContact O-N 3.3Å; R159-W185 HydrophobicContact CG-CZ2 4.14Å; R159-W185 PolarHBondContact NH2-O 3.18Å
160R90.7Very high89.9Confident96 Ų9667.9 Ų67.936%0.36234%0.341SS..Hα-helixtrans-66.7-43.9173.4-78.8-178.7169.1167.8-1.5112.5L94 V156 T157 L162 L163 A164L94-R160 HydrophobicContact CB-CG 4.43Å; L94-R160 HydrophobicContact CD1-CG 3.88Å; V156-R160 WeakPolarHBondContact O-CB 3.5Å; V156-R160 WeakPolarHBondContact O-CG 3.37Å; V156-R160 PolarHBondContact O-N 2.81Å; T157-R160 WeakPolarHBondContact O-CB 3.47Å; T157-R160 PolarHBondContact O-N 3.35Å; T157-R160 VanDerWaalsContact O-N 3.12Å; R160-L162 VanDerWaalsContact C-N 3.28Å; R160-L162 PolarHBondContact O-N 3.03Å; R160-L163 PolarHBondContact O-N 3.09Å; R160-A164 PolarHBondContact O-N 3.3Å
161E91.7Very high89.6Confident118 Ų11865.3 Ų65.355%0.55133%0.325SS*.Hα-helixtrans-61.7-39.9175.6-72.5178.1178.200111.1T157 E158 A164 R165T157-E161 HydrophobicContact CG2-CG 4.47Å; T157-E161 WeakPolarHBondContact O-CG 3.44Å; T157-E161 PolarHBondContact O-N 3.4Å; E158-E161 PolarHBondContact O-N 2.76Å; E161-A164 PolarHBondContact O-N 2.95Å; E161-R165 VanDerWaalsContact O-CG 3.32Å; E161-R165 WeakPolarHBondContact O-CG 3.41Å; E161-R165 PolarHBondContact O-N 3.45Å
162L90.4Very high89.4Confident11 Ų1167.4 Ų67.46%0.05833%0.332CS..Hα-helixtrans-59.8-51.7172.5-175.971.3000111.3E158 R159 R160 A164 R165 L166 M177 L178 S181 W185E158-L162 PolarHBondContact O-N 3.03Å; R159-L162 PolarHBondContact O-N 2.84Å; R160-L162 VanDerWaalsContact C-N 3.28Å; R160-L162 PolarHBondContact O-N 3.03Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.29Å; L162-R165 WeakPolarHBondContact O-CB 3.36Å; L162-R165 PolarHBondContact O-N 2.81Å; L162-L166 HydrophobicContact CD1-CG 4.44Å; L162-L166 HydrophobicContact CD2-CD1 4.29Å; L162-L166 HydrophobicContact CG-CD1 4.02Å; L162-L166 HydrophobicContact CG-CG 4.17Å; L162-L166 VanDerWaalsContact O-CG 3.32Å; L162-L166 WeakPolarHBondContact O-CG 3.34Å; L162-L166 PolarHBondContact O-N 3.47Å; L162-M177 HydrophobicContact CD1-CB 4.43Å; L162-M177 HydrophobicContact CD1-CE 3.67Å; L162-L178 HydrophobicContact CD2-CD2 4.44Å; L162-S181 VanDerWaalsContact CD1-OG 3.31Å; L162-S181 WeakPolarHBondContact CD1-OG 3.27Å; L162-S181 VanDerWaalsContact CD2-CB 3.44Å; L162-S181 WeakPolarHBondContact CD2-OG 3.35Å; L162-W185 HydrophobicContact CD2-CH2 4.45Å; L162-W185 HydrophobicContact CD2-CZ2 3.52Å
163L90Very high89.4Confident25 Ų2571.1 Ų71.113%0.13135%0.35CS..Hα-helixtrans-55.9-42.2178.1-77.4-174.4000112.5C87 I90 K91 L94 R159 R160 R165 L166 A167C87-L163 HydrophobicContact CB-CD2 4.09Å; I90-L163 HydrophobicContact CB-CD1 4.16Å; I90-L163 HydrophobicContact CB-CD2 4.05Å; I90-L163 HydrophobicContact CD1-CD2 4.18Å; I90-L163 HydrophobicContact CG2-CD1 3.8Å; I90-L163 HydrophobicContact CG2-CD2 4.02Å; I90-L163 HydrophobicContact CG2-CG 4.04Å; K91-L163 HydrophobicContact CB-CD1 3.92Å; L94-L163 HydrophobicContact CD1-CD1 3.6Å; L94-L163 HydrophobicContact CD1-CG 4.31Å; R159-L163 PolarHBondContact O-N 3.3Å; R160-L163 PolarHBondContact O-N 3.09Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 3.43Å; L163-L166 HydrophobicContact CD2-CD1 4.33Å; L163-L166 PolarHBondContact O-N 3.49Å; L163-A167 PolarHBondContact O-N 3.37Å
164A91.1Very high89.3Confident62 Ų6267 Ų6751%0.51234%0.335SS..Hα-helixtrans-61.4-40176.700000111.8R160 E161 L162 L168R160-A164 PolarHBondContact O-N 3.3Å; E161-A164 PolarHBondContact O-N 2.95Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.29Å; A164-L168 WeakPolarHBondContact O-CG 3.4Å
165R91.9Very high89Confident150 Ų15062.3 Ų62.357%0.56631%0.313SS*.Hα-helixtrans-70.1-40175.7-67.1169.860.9-169.2-4112.6E161 L162 L163 A167 L168 M177E161-R165 VanDerWaalsContact O-CG 3.32Å; E161-R165 WeakPolarHBondContact O-CG 3.41Å; E161-R165 PolarHBondContact O-N 3.45Å; L162-R165 WeakPolarHBondContact O-CB 3.36Å; L162-R165 PolarHBondContact O-N 2.81Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 3.43Å; R165-A167 PolarHBondContact O-N 2.91Å; R165-L168 PolarHBondContact O-N 3.15Å; R165-M177 HydrophobicContact CB-CE 3.63Å
166L89.7Confident88.8Confident10 Ų1065 Ų655%0.05233%0.325CS..Hα-helixtrans-60.4-32.9178.5-68.2174.8000112L162 L163 L168 A174 M177 L178L162-L166 HydrophobicContact CD1-CG 4.44Å; L162-L166 HydrophobicContact CD2-CD1 4.29Å; L162-L166 HydrophobicContact CG-CD1 4.02Å; L162-L166 HydrophobicContact CG-CG 4.17Å; L162-L166 VanDerWaalsContact O-CG 3.32Å; L162-L166 WeakPolarHBondContact O-CG 3.34Å; L162-L166 PolarHBondContact O-N 3.47Å; L163-L166 HydrophobicContact CD2-CD1 4.33Å; L163-L166 PolarHBondContact O-N 3.49Å; L166-L168 PolarHBondContact O-N 3.02Å; L166-A174 HydrophobicContact CD2-CB 3.8Å; L166-A174 VanDerWaalsContact CD2-O 3.26Å; L166-A174 WeakPolarHBondContact CD2-O 3.32Å; L166-M177 HydrophobicContact CD2-CB 3.71Å; L166-M177 HydrophobicContact CD2-CE 4.25Å; L166-M177 HydrophobicContact CD2-SD 4.37Å; L166-L178 HydrophobicContact CD1-CD1 4.4Å; L166-L178 HydrophobicContact CD1-CD2 3.57Å; L166-L178 HydrophobicContact CD1-CG 3.85Å; L166-L178 HydrophobicContact CD2-CG 4.09Å
167A86.2Confident88.8Confident83 Ų8366.6 Ų66.669%0.68633%0.333SS*.THydrogen-bonded Turntrans-68.8-13.6176.700000114.3L163 R165L163-A167 PolarHBondContact O-N 3.37Å; R165-A167 PolarHBondContact O-N 2.91Å
168L89.9Confident88.5Confident151 Ų15163.9 Ų63.979%0.79132%0.317SS*.THydrogen-bonded Turntrans-106.1-5.1-174.1-61.2175.4000113.7A164 R165 L166A164-L168 WeakPolarHBondContact O-CG 3.4Å; R165-L168 PolarHBondContact O-N 3.15Å; L166-L168 PolarHBondContact O-N 3.02Å
169V90.4Very high88.3Confident49 Ų4963.4 Ų63.430%0.29731%0.313SS..SBendtrans-116.5162.6-173.9-61.60000111.2E173 A174 M177V169-E173 HydrophobicContact CB-CB 3.92Å; V169-E173 HydrophobicContact CG2-CB 4.15Å; V169-A174 HydrophobicContact CG2-CB 3.88Å; V169-M177 HydrophobicContact CG1-SD 4.42Å; V169-M177 HydrophobicContact CG2-SD 4.2Å
170R87.1Confident88Confident175 Ų17569 Ų6966%0.6634%0.339SS*.  trans-68.2155.5173-66.6179.7-69.4175.4-0.7110.1E172 E173 A174R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 2.9Å; R170-E173 IonicContact CZ-OE1 3.5Å; R170-E173 IonicContact NE-OE1 2.8Å; R170-E173 PolarHBondContact NE-OE1 3.06Å; R170-E173 VanDerWaalsContact NE-OE1 3.13Å; R170-E173 IonicContact NH2-OE1 3.96Å; R170-E173 PolarHBondContact NH2-OE1 2.87Å; R170-E173 WeakPolarHBondContact O-CA 3.43Å; R170-E173 WeakPolarHBondContact O-CB 3.35Å; R170-E173 PolarHBondContact O-N 3.49Å; R170-A174 PolarHBondContact O-N 3.43Å
171T83.1Confident87.6Confident29 Ų2965.4 Ų65.418%0.17833%0.329CS..Hα-helixtrans-55-39.8-176.1-50.70000113.9I79 D80 V83 E173 A174 I175I79-T171 HydrophobicContact CG2-CG2 3.77Å; D80-T171 WeakPolarHBondContact OD1-CB 3.28Å; D80-T171 WeakPolarHBondContact OD1-CG2 3.42Å; D80-T171 PolarHBondContact OD1-OG1 3.01Å; V83-T171 HydrophobicContact CB-CG2 4.4Å; V83-T171 HydrophobicContact CG2-CG2 3.94Å; T171-E173 VanDerWaalsContact C-N 3.35Å; T171-E173 PolarHBondContact O-N 3.25Å; T171-A174 WeakPolarHBondContact O-CB 3.43Å; T171-A174 PolarHBondContact O-N 2.98Å; T171-I175 HydrophobicContact CG2-CD1 3.91Å; T171-I175 HydrophobicContact CG2-CG1 4.4Å; T171-I175 VanDerWaalsContact O-CG1 3.23Å; T171-I175 WeakPolarHBondContact O-CG1 3.29Å; T171-I175 PolarHBondContact O-N 3.34Å
172E83.7Confident87.1Confident85 Ų8562 Ų6240%0.39731%0.312SS..Hα-helixtrans-63.4-42.6178.5-62.2-178.215600111.4L47 K50 R170 I175 E176L47-E172 HydrophobicContact CD1-CG 4.32Å; K50-E172 IonicContact NZ-OE1 2.97Å; K50-E172 PolarHBondContact NZ-OE1 3.26Å; R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 2.9Å; E172-I175 PolarHBondContact O-N 3.39Å; E172-E176 PolarHBondContact O-N 3.1Å; E172-E176 VanDerWaalsContact O-N 3.13Å
173E88.8Confident86.4Confident79 Ų7969.9 Ų69.937%0.36934%0.342SS..Hα-helixtrans-66.9-39.6174.4-67.5168.1-152.100111.1V169 R170 T171 I175 E176 M177V169-E173 HydrophobicContact CB-CB 3.92Å; V169-E173 HydrophobicContact CG2-CB 4.15Å; R170-E173 IonicContact CZ-OE1 3.5Å; R170-E173 IonicContact NE-OE1 2.8Å; R170-E173 PolarHBondContact NE-OE1 3.06Å; R170-E173 VanDerWaalsContact NE-OE1 3.13Å; R170-E173 IonicContact NH2-OE1 3.96Å; R170-E173 PolarHBondContact NH2-OE1 2.87Å; R170-E173 WeakPolarHBondContact O-CA 3.43Å; R170-E173 WeakPolarHBondContact O-CB 3.35Å; R170-E173 PolarHBondContact O-N 3.49Å; T171-E173 VanDerWaalsContact C-N 3.35Å; T171-E173 PolarHBondContact O-N 3.25Å; E173-I175 VanDerWaalsContact C-N 3.33Å; E173-I175 PolarHBondContact O-N 3.5Å; E173-E176 PolarHBondContact O-N 3.37Å; E173-M177 VanDerWaalsContact O-CG 3.32Å; E173-M177 WeakPolarHBondContact O-CG 3.5Å; E173-M177 PolarHBondContact O-N 3.42Å
174A87.8Confident85.7Confident3 Ų373.6 Ų73.63%0.02537%0.369CS..Hα-helixtrans-60-42.3175.600000111.9V83 L166 V169 R170 T171 M177 L178V83-A174 HydrophobicContact CG1-CB 4.41Å; L166-A174 HydrophobicContact CD2-CB 3.8Å; L166-A174 VanDerWaalsContact CD2-O 3.26Å; L166-A174 WeakPolarHBondContact CD2-O 3.32Å; V169-A174 HydrophobicContact CG2-CB 3.88Å; R170-A174 PolarHBondContact O-N 3.43Å; T171-A174 WeakPolarHBondContact O-CB 3.43Å; T171-A174 PolarHBondContact O-N 2.98Å; A174-M177 PolarHBondContact O-N 2.83Å; A174-L178 WeakPolarHBondContact O-CB 3.3Å; A174-L178 WeakPolarHBondContact O-CG 3.22Å; A174-L178 PolarHBondContact O-N 2.96Å
175I85.3Confident85.2Confident2 Ų271.3 Ų71.31%0.0135%0.347CS..Hα-helixtrans-67.9-42.5179.1-67.4165.5000111I43 I44 L47 I79 V83 T171 E172 E173 M177 L178 K179I43-I175 HydrophobicContact CG2-CD1 3.69Å; I43-I175 HydrophobicContact CG2-CG1 3.69Å; I43-I175 HydrophobicContact CG2-CG2 4.46Å; I44-I175 HydrophobicContact CG1-CG2 3.89Å; L47-I175 HydrophobicContact CB-CD1 4.24Å; L47-I175 HydrophobicContact CD1-CD1 4.22Å; L47-I175 HydrophobicContact CD2-CB 4.04Å; L47-I175 HydrophobicContact CD2-CD1 3.9Å; L47-I175 HydrophobicContact CD2-CG2 3.65Å; L47-I175 HydrophobicContact CG-CD1 4.35Å; I79-I175 HydrophobicContact CG2-CD1 3.4Å; I79-I175 VanDerWaalsContact CG2-CD1 3.4Å; V83-I175 HydrophobicContact CG2-CD1 4.26Å; V83-I175 HydrophobicContact CG2-CG1 3.97Å; T171-I175 HydrophobicContact CG2-CD1 3.91Å; T171-I175 HydrophobicContact CG2-CG1 4.4Å; T171-I175 VanDerWaalsContact O-CG1 3.23Å; T171-I175 WeakPolarHBondContact O-CG1 3.29Å; T171-I175 PolarHBondContact O-N 3.34Å; E172-I175 PolarHBondContact O-N 3.39Å; E173-I175 VanDerWaalsContact C-N 3.33Å; E173-I175 PolarHBondContact O-N 3.5Å; I175-M177 VanDerWaalsContact C-N 3.3Å; I175-M177 PolarHBondContact O-N 3.4Å; I175-L178 PolarHBondContact O-N 2.87Å; I175-K179 WeakPolarHBondContact O-CB 3.39Å; I175-K179 PolarHBondContact O-N 3.3Å
176E86.4Confident84.7Confident80 Ų8071.3 Ų71.337%0.37435%0.351SS..Hα-helixtrans-61.7-41.3174.1-77.1-59133.400111E172 E173 K179 H180E172-E176 PolarHBondContact O-N 3.1Å; E172-E176 VanDerWaalsContact O-N 3.13Å; E173-E176 PolarHBondContact O-N 3.37Å; E176-K179 WeakPolarHBondContact O-CB 3.41Å; E176-K179 PolarHBondContact O-N 3.47Å; E176-K179 IonicContact OE1-NZ 2.83Å; E176-K179 IonicContact OE2-NZ 2.69Å; E176-H180 PolarHBondContact O-N 3.32Å; E176-H180 VanDerWaalsContact O-N 3.16Å; E176-H180 PolarHBondContact O-ND1 3.47Å; E176-H180 IonicContact OE2-CE1 2.82Å
177M89.1Confident84.5Confident33 Ų3371.6 Ų71.616%0.16335%0.351CS..Hα-helixtrans-60.9-47.4174-72.4-177.656.800112.5L162 R165 L166 V169 E173 A174 I175 K179 H180 S181L162-M177 HydrophobicContact CD1-CB 4.43Å; L162-M177 HydrophobicContact CD1-CE 3.67Å; R165-M177 HydrophobicContact CB-CE 3.63Å; L166-M177 HydrophobicContact CD2-CB 3.71Å; L166-M177 HydrophobicContact CD2-CE 4.25Å; L166-M177 HydrophobicContact CD2-SD 4.37Å; V169-M177 HydrophobicContact CG1-SD 4.42Å; V169-M177 HydrophobicContact CG2-SD 4.2Å; E173-M177 VanDerWaalsContact O-CG 3.32Å; E173-M177 WeakPolarHBondContact O-CG 3.5Å; E173-M177 PolarHBondContact O-N 3.42Å; A174-M177 PolarHBondContact O-N 2.83Å; I175-M177 VanDerWaalsContact C-N 3.3Å; I175-M177 PolarHBondContact O-N 3.4Å; M177-K179 VanDerWaalsContact C-N 3.3Å; M177-K179 PolarHBondContact O-N 2.9Å; M177-H180 PolarHBondContact O-N 3.47Å; M177-S181 PolarHBondContact O-N 2.89Å; M177-S181 PolarHBondContact O-OG 3.45Å; M177-S181 VanDerWaalsContact O-OG 3.1Å
178L86.3Confident84.3Confident2 Ų271 Ų711%0.0134%0.34CS..Hα-helixtrans-59-40.3176.9-76.8168.5000112.3I40 L86 L162 L166 A174 I175 H180 S181 K182I40-L178 HydrophobicContact CD1-CB 4.45Å; I40-L178 HydrophobicContact CD1-CD2 4.05Å; I40-L178 HydrophobicContact CG1-CB 4.43Å; I40-L178 HydrophobicContact CG1-CD2 4.36Å; I40-L178 HydrophobicContact CG2-CB 4.26Å; L86-L178 HydrophobicContact CD2-CD1 4.14Å; L162-L178 HydrophobicContact CD2-CD2 4.44Å; L166-L178 HydrophobicContact CD1-CD1 4.4Å; L166-L178 HydrophobicContact CD1-CD2 3.57Å; L166-L178 HydrophobicContact CD1-CG 3.85Å; L166-L178 HydrophobicContact CD2-CG 4.09Å; A174-L178 WeakPolarHBondContact O-CB 3.3Å; A174-L178 WeakPolarHBondContact O-CG 3.22Å; A174-L178 PolarHBondContact O-N 2.96Å; I175-L178 PolarHBondContact O-N 2.87Å; L178-H180 PolarHBondContact O-N 3.39Å; L178-S181 PolarHBondContact O-N 3.43Å; L178-K182 PolarHBondContact O-N 3.39Å
179K84.6Confident84Confident82 Ų8268.9 Ų68.936%0.35734%0.336SS..Hα-helixtrans-61.7-40.4176.9179.9-176.4173.4-168.50112.5I44 I175 E176 M177 Y183I44-K179 HydrophobicContact CD1-CB 3.91Å; I44-K179 HydrophobicContact CD1-CD 4.48Å; I44-K179 HydrophobicContact CD1-CG 4.02Å; I175-K179 WeakPolarHBondContact O-CB 3.39Å; I175-K179 PolarHBondContact O-N 3.3Å; E176-K179 WeakPolarHBondContact O-CB 3.41Å; E176-K179 PolarHBondContact O-N 3.47Å; E176-K179 IonicContact OE1-NZ 2.83Å; E176-K179 IonicContact OE2-NZ 2.69Å; M177-K179 VanDerWaalsContact C-N 3.3Å; M177-K179 PolarHBondContact O-N 2.9Å; K179-Y183 WeakPolarHBondContact O-CD2 3.33Å; K179-Y183 WeakPolarHBondContact O-CE2 3.12Å
180H84.5Confident83.7Confident125 Ų12570.3 Ų70.358%0.57935%0.348SS*.Hα-helixtrans-70.1-42.9174.7-69.583.1000111.1E176 M177 L178 K182 Y183E176-H180 PolarHBondContact O-N 3.32Å; E176-H180 VanDerWaalsContact O-N 3.16Å; E176-H180 PolarHBondContact O-ND1 3.47Å; E176-H180 IonicContact OE2-CE1 2.82Å; M177-H180 PolarHBondContact O-N 3.47Å; L178-H180 PolarHBondContact O-N 3.39Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.11Å; H180-Y183 PolarHBondContact O-N 2.71Å
181S81.5Confident83.5Confident19 Ų1963.2 Ų63.213%0.13332%0.324CS..Hα-helixtrans-65.1-30.8-179.4-630000113.7L162 M177 L178 Y183 C184 W185L162-S181 VanDerWaalsContact CD1-OG 3.31Å; L162-S181 WeakPolarHBondContact CD1-OG 3.27Å; L162-S181 VanDerWaalsContact CD2-CB 3.44Å; L162-S181 WeakPolarHBondContact CD2-OG 3.35Å; M177-S181 PolarHBondContact O-N 2.89Å; M177-S181 PolarHBondContact O-OG 3.45Å; M177-S181 VanDerWaalsContact O-OG 3.1Å; L178-S181 PolarHBondContact O-N 3.43Å; S181-Y183 PolarHBondContact O-N 2.93Å; S181-Y183 VanDerWaalsContact O-N 3.15Å; S181-C184 PolarHBondContact O-N 3.48Å; S181-W185 VanDerWaalsContact O-CG 3.29Å; S181-W185 PolarHBondContact O-N 2.91Å
182K81.2Confident83.3Confident47 Ų4764.2 Ų64.220%0.20433%0.33CS..Hα-helixtrans-48.3-41.4174.3160.4167.1-163.8-164.20113L37 D41 L178 H180L37-K182 HydrophobicContact CD2-CB 3.63Å; L37-K182 HydrophobicContact CD2-CD 3.97Å; L37-K182 HydrophobicContact CD2-CG 3.45Å; L37-K182 VanDerWaalsContact CD2-CG 3.45Å; D41-K182 IonicContact OD1-NZ 3.85Å; D41-K182 PolarHBondContact OD1-NZ 3.2Å; D41-K182 IonicContact OD2-NZ 3.39Å; D41-K182 PolarHBondContact OD2-NZ 3.42Å; L178-K182 PolarHBondContact O-N 3.39Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.11Å
183Y75.2Confident83.3Confident177 Ų17766.5 Ų66.569%0.69434%0.341SS*.Hα-helixtrans-73-32.4-179.4-64.4-76.5000112.9K179 H180 S181K179-Y183 WeakPolarHBondContact O-CD2 3.33Å; K179-Y183 WeakPolarHBondContact O-CE2 3.12Å; H180-Y183 PolarHBondContact O-N 2.71Å; S181-Y183 PolarHBondContact O-N 2.93Å; S181-Y183 VanDerWaalsContact O-N 3.15Å
184C76Confident82.9Confident102 Ų10267.7 Ų67.769%0.68934%0.342SS*.Hα-helixtrans-79.4-25.3178.6-57.20000112.3S181S181-C184 PolarHBondContact O-N 3.48Å
185W81.3Confident82.4Confident15 Ų1567.7 Ų67.76%0.05734%0.341CS..Hα-helixtrans-73.5-28.2-177.2-74.67.4000113.6E33 H36 L37 I40 I90 R159 L162 S181 R187E33-W185 WeakPolarHBondContact CG-O 3.3Å; H36-W185 HydrophobicContact CB-CZ3 4.18Å; L37-W185 HydrophobicContact CD2-CE3 4.33Å; I40-W185 HydrophobicContact CD1-CE3 4.44Å; I40-W185 HydrophobicContact CD1-CH2 4.48Å; I40-W185 HydrophobicContact CD1-CZ3 3.91Å; I90-W185 HydrophobicContact CD1-CH2 3.82Å; I90-W185 HydrophobicContact CD1-CZ3 4.39Å; I90-W185 HydrophobicContact CG1-CH2 4.42Å; I90-W185 HydrophobicContact CG2-CH2 4.41Å; R159-W185 HydrophobicContact CG-CZ2 4.14Å; R159-W185 PolarHBondContact NH2-O 3.18Å; L162-W185 HydrophobicContact CD2-CH2 4.45Å; L162-W185 HydrophobicContact CD2-CZ2 3.52Å; S181-W185 VanDerWaalsContact O-CG 3.29Å; S181-W185 PolarHBondContact O-N 2.91Å; W185-R187 PolarHBondContact O-N 3.02Å
186K81.7Confident82.1Confident149 Ų14970.6 Ų70.665%0.64836%0.357SS*.SBendtrans-75111.6-178.4-170.4171.2-174.31690109.9
187R84Confident81.8Confident16 Ų1669.5 Ų69.56%0.0636%0.356CS..  trans-62135.7175.1-81.9170.8-74.1169.23110.6L26 S30 E33 E155 W185 V192L26-R187 VanDerWaalsContact CD2-NH1 3.29Å; L26-R187 PolarHBondContact O-NH1 3.05Å; L26-R187 PolarHBondContact O-NH2 3.49Å; S30-R187 PolarHBondContact OG-NH2 3.05Å; E33-R187 IonicContact OE1-CZ 2.81Å; E33-R187 IonicContact OE1-NE 3.1Å; E33-R187 PolarHBondContact OE1-NE 3.41Å; E33-R187 IonicContact OE1-NH2 3.25Å; E33-R187 PolarHBondContact OE1-NH2 3.18Å; E33-R187 PolarHBondContact OE2-N 3.31Å; E33-R187 IonicContact OE2-NE 2.98Å; E33-R187 IonicContact OE2-NH2 3.1Å; E155-R187 VanDerWaalsContact OE1-CD 3.25Å; E155-R187 WeakPolarHBondContact OE1-CD 3.35Å; E155-R187 WeakPolarHBondContact OE1-CG 3.18Å; E155-R187 IonicContact OE2-NE 3.72Å; W185-R187 PolarHBondContact O-N 3.02Å; R187-V192 HydrophobicContact CB-CG2 3.88Å
188P82.8Confident81.4Confident70 Ų7069.6 Ų69.646%0.45536%0.355SS..  trans-57.6141.7173.5-24.533.2000111.4S190 V191 V192P188-S190 PolarHBondContact O-N 3.29Å; P188-S190 VanDerWaalsContact O-N 3.08Å; P188-V191 HydrophobicContact CB-CG2 4.15Å; P188-V191 HydrophobicContact CG-CG2 4.15Å; P188-V191 WeakPolarHBondContact O-CB 3.17Å; P188-V191 PolarHBondContact O-N 3.27Å; P188-V192 PolarHBondContact O-N 2.96Å
189P83.9Confident80.7Confident108 Ų10870 Ų7070%0.70136%0.357SS*.Hα-helixtrans-54.3-33.1179.8-28.134.8000113.8V191 V192 Q193P189-V191 VanDerWaalsContact C-N 3.35Å; P189-V191 PolarHBondContact O-N 2.8Å; P189-V192 PolarHBondContact O-N 2.85Å; P189-Q193 VanDerWaalsContact O-CB 3.3Å; P189-Q193 WeakPolarHBondContact O-CB 2.98Å; P189-Q193 PolarHBondContact O-N 3.43Å
190S84.3Confident80.1Confident79 Ų7968.8 Ų68.855%0.55236%0.362SS*.Hα-helixtrans-63.5-37176.255.10000113.1P188 R194P188-S190 PolarHBondContact O-N 3.29Å; P188-S190 VanDerWaalsContact O-N 3.08Å; S190-R194 VanDerWaalsContact O-CB 3.29Å; S190-R194 WeakPolarHBondContact O-CB 3.21Å; S190-R194 PolarHBondContact O-N 2.97Å
191V81.3Confident79.5Confident25 Ų2567.1 Ų67.115%0.15235%0.353CS..Hα-helixtrans-68.2-48.5177.2176.20000109.6P188 P189 Q193 R194 M195P188-V191 HydrophobicContact CB-CG2 4.15Å; P188-V191 HydrophobicContact CG-CG2 4.15Å; P188-V191 WeakPolarHBondContact O-CB 3.17Å; P188-V191 PolarHBondContact O-N 3.27Å; P189-V191 VanDerWaalsContact C-N 3.35Å; P189-V191 PolarHBondContact O-N 2.8Å; V191-Q193 VanDerWaalsContact C-N 3.34Å; V191-Q193 PolarHBondContact O-N 2.94Å; V191-R194 PolarHBondContact O-N 2.86Å; V191-M195 HydrophobicContact CG1-CE 3.63Å; V191-M195 HydrophobicContact CG1-CG 4.46Å; V191-M195 HydrophobicContact CG1-SD 3.79Å; V191-M195 VanDerWaalsContact O-CG 3.22Å; V191-M195 WeakPolarHBondContact O-CG 3.25Å; V191-M195 PolarHBondContact O-N 3.17Å
192V79.5Confident79Confident50 Ų5066.2 Ų66.230%0.30335%0.347SS..Hα-helixtrans-59.9-45.5177.81790000110.9R187 P188 P189 M195 N196R187-V192 HydrophobicContact CB-CG2 3.88Å; P188-V192 PolarHBondContact O-N 2.96Å; P189-V192 PolarHBondContact O-N 2.85Å; V192-M195 PolarHBondContact O-N 2.98Å; V192-N196 WeakPolarHBondContact O-CB 3.42Å; V192-N196 VanDerWaalsContact O-CG 3.27Å; V192-N196 PolarHBondContact O-N 3.18Å; V192-N196 PolarHBondContact O-ND2 3.32Å
193Q82.9Confident78.4Confident134 Ų13468.1 Ų68.163%0.62635%0.353SS*.Hα-helixtrans-60.7-47.9177.5-175.6177.12.100111.6P189 V191 M195 N196 T197P189-Q193 VanDerWaalsContact O-CB 3.3Å; P189-Q193 WeakPolarHBondContact O-CB 2.98Å; P189-Q193 PolarHBondContact O-N 3.43Å; V191-Q193 VanDerWaalsContact C-N 3.34Å; V191-Q193 PolarHBondContact O-N 2.94Å; Q193-M195 PolarHBondContact O-N 3.47Å; Q193-N196 WeakPolarHBondContact O-CB 3.5Å; Q193-N196 PolarHBondContact O-N 2.92Å; Q193-T197 WeakPolarHBondContact O-CB 3.46Å; Q193-T197 PolarHBondContact O-N 2.73Å; Q193-T197 PolarHBondContact O-OG1 2.93Å
194R80.9Confident78Confident103 Ų10364.2 Ų64.239%0.38934%0.341SS..Hα-helixtrans-57.8-47.2178.2179.3178.362.9172.70.9111.7S190 V191 N196 T197 Y198S190-R194 VanDerWaalsContact O-CB 3.29Å; S190-R194 WeakPolarHBondContact O-CB 3.21Å; S190-R194 PolarHBondContact O-N 2.97Å; V191-R194 PolarHBondContact O-N 2.86Å; R194-N196 PolarHBondContact O-N 3.33Å; R194-T197 WeakPolarHBondContact O-CB 3.22Å; R194-T197 PolarHBondContact O-N 3.17Å; R194-Y198 HydrophobicContact CG-CD2 4.31Å; R194-Y198 HydrophobicContact CG-CE1 3.95Å; R194-Y198 HydrophobicContact CG-CE2 3.66Å; R194-Y198 VanDerWaalsContact CG-CZ 3.45Å; R194-Y198 WeakPolarHBondContact O-CD1 3.44Å; R194-Y198 VanDerWaalsContact O-CG 3.28Å; R194-Y198 PolarHBondContact O-N 3.48Å
195M78.8Confident77.5Confident3 Ų359.5 Ų59.52%0.01531%0.309CS..Hα-helixtrans-64.2-41.3178.9-64.4171.3160.500111.8L26 V148 T151 V191 V192 Q193 T197 Y198 I199L26-M195 HydrophobicContact CD1-CB 3.74Å; L26-M195 HydrophobicContact CD1-CG 4.4Å; L26-M195 HydrophobicContact CD1-SD 4.15Å; L26-M195 HydrophobicContact CD2-CE 4.11Å; L26-M195 HydrophobicContact CD2-CG 4.49Å; L26-M195 HydrophobicContact CD2-SD 3.29Å; L26-M195 WeakPolarHBondContact CD2-SD 3.41Å; L26-M195 HydrophobicContact CG-SD 4.37Å; V148-M195 HydrophobicContact CG2-CB 4.4Å; V148-M195 HydrophobicContact CG2-CG 3.98Å; T151-M195 HydrophobicContact CG2-CE 3.72Å; V191-M195 HydrophobicContact CG1-CE 3.63Å; V191-M195 HydrophobicContact CG1-CG 4.46Å; V191-M195 HydrophobicContact CG1-SD 3.79Å; V191-M195 VanDerWaalsContact O-CG 3.22Å; V191-M195 WeakPolarHBondContact O-CG 3.25Å; V191-M195 PolarHBondContact O-N 3.17Å; V192-M195 PolarHBondContact O-N 2.98Å; Q193-M195 PolarHBondContact O-N 3.47Å; M195-T197 VanDerWaalsContact C-N 3.33Å; M195-T197 PolarHBondContact O-N 3.24Å; M195-Y198 PolarHBondContact O-N 2.98Å; M195-I199 WeakPolarHBondContact O-CG1 3.41Å; M195-I199 PolarHBondContact O-N 2.78Å; M195-I199 VanDerWaalsContact O-N 3.07Å
196N79.1Confident76.7Confident64 Ų6459.1 Ų59.134%0.34231%0.308SS..Hα-helixtrans-61.5-41173.4-76.3-30.7000112.1R23 V192 Q193 R194 I199 A200R23-N196 PolarHBondContact NH1-OD1 2.78Å; V192-N196 WeakPolarHBondContact O-CB 3.42Å; V192-N196 VanDerWaalsContact O-CG 3.27Å; V192-N196 PolarHBondContact O-N 3.18Å; V192-N196 PolarHBondContact O-ND2 3.32Å; Q193-N196 WeakPolarHBondContact O-CB 3.5Å; Q193-N196 PolarHBondContact O-N 2.92Å; R194-N196 PolarHBondContact O-N 3.33Å; N196-I199 PolarHBondContact O-N 3.5Å; N196-A200 WeakPolarHBondContact O-CB 3.31Å; N196-A200 PolarHBondContact O-N 3.42Å
197T79.9Confident75.6Confident56 Ų5653.6 Ų53.634%0.34429%0.293SS..Hα-helixtrans-61.3-45.8176.4-65.40000111.3Q193 R194 M195 I199 A200 F201Q193-T197 WeakPolarHBondContact O-CB 3.46Å; Q193-T197 PolarHBondContact O-N 2.73Å; Q193-T197 PolarHBondContact O-OG1 2.93Å; R194-T197 WeakPolarHBondContact O-CB 3.22Å; R194-T197 PolarHBondContact O-N 3.17Å; M195-T197 VanDerWaalsContact C-N 3.33Å; M195-T197 PolarHBondContact O-N 3.24Å; T197-I199 PolarHBondContact O-N 3.13Å; T197-A200 PolarHBondContact O-N 3.34Å; T197-F201 HydrophobicContact CG2-CD2 3.56Å; T197-F201 HydrophobicContact CG2-CE2 3.34Å; T197-F201 WeakPolarHBondContact O-CD2 3.41Å; T197-F201 PolarHBondContact O-N 3.26Å
198Y79.2Confident74.1Confident35 Ų3558.2 Ų58.214%0.13731%0.314CS..Hα-helixtrans-60.5-45.1177.2-61.9-18.1000112.1W144 V148 R194 M195 A200 F201 T202W144-Y198 HydrophobicContact CB-CD1 4.14Å; W144-Y198 HydrophobicContact CB-CD2 3.44Å; W144-Y198 VanDerWaalsContact CB-CD2 3.44Å; W144-Y198 HydrophobicContact CB-CE1 4.4Å; W144-Y198 HydrophobicContact CB-CE2 3.7Å; W144-Y198 HydrophobicContact CB-CG 3.65Å; W144-Y198 AromaticContact CD1-CE1 3.56Å; W144-Y198 AromaticContact CD1-CE2 3.72Å; W144-Y198 AromaticContact CD1-CZ 3.34Å; W144-Y198 AromaticContact CD2-CD1 3.33Å; W144-Y198 HydrophobicContact CD2-CD1 3.33Å; W144-Y198 HydrophobicContact CD2-CD2 4.31Å; W144-Y198 AromaticContact CD2-CE1 3.56Å; W144-Y198 HydrophobicContact CD2-CE1 3.56Å; W144-Y198 HydrophobicContact CD2-CE2 4.44Å; W144-Y198 AromaticContact CD2-CG 3.75Å; W144-Y198 HydrophobicContact CD2-CG 3.75Å; W144-Y198 AromaticContact CE2-CD1 3.71Å; W144-Y198 AromaticContact CE2-CE1 3.5Å; W144-Y198 AromaticContact CE3-CD1 3.55Å; W144-Y198 HydrophobicContact CE3-CD1 3.55Å; W144-Y198 HydrophobicContact CE3-CE1 4.22Å; W144-Y198 AromaticContact CE3-CG 3.86Å; W144-Y198 HydrophobicContact CE3-CG 3.86Å; W144-Y198 AromaticContact CG-CD1 3.6Å; W144-Y198 HydrophobicContact CG-CD1 3.6Å; W144-Y198 AromaticContact CG-CD2 3.72Å; W144-Y198 HydrophobicContact CG-CD2 3.72Å; W144-Y198 AromaticContact CG-CE1 3.6Å; W144-Y198 HydrophobicContact CG-CE1 3.6Å; W144-Y198 AromaticContact CG-CE2 3.67Å; W144-Y198 HydrophobicContact CG-CE2 3.67Å; W144-Y198 AromaticContact CG-CG 3.65Å; W144-Y198 HydrophobicContact CG-CG 3.65Å; W144-Y198 AromaticContact CG-CZ 3.61Å; W144-Y198 HydrophobicContact CH2-CD1 4.33Å; W144-Y198 HydrophobicContact CZ2-CD1 4.22Å; W144-Y198 HydrophobicContact CZ2-CE1 4.11Å; W144-Y198 HydrophobicContact CZ3-CD1 4.02Å; W144-Y198 AromaticContact NE1-CE1 3.51Å; W144-Y198 AromaticContact NE1-CZ 3.69Å; V148-Y198 HydrophobicContact CG2-CD2 4.26Å; R194-Y198 HydrophobicContact CG-CD2 4.31Å; R194-Y198 HydrophobicContact CG-CE1 3.95Å; R194-Y198 HydrophobicContact CG-CE2 3.66Å; R194-Y198 VanDerWaalsContact CG-CZ 3.45Å; R194-Y198 WeakPolarHBondContact O-CD1 3.44Å; R194-Y198 VanDerWaalsContact O-CG 3.28Å; R194-Y198 PolarHBondContact O-N 3.48Å; M195-Y198 PolarHBondContact O-N 2.98Å; Y198-A200 PolarHBondContact O-N 3.26Å; Y198-F201 PolarHBondContact O-N 3.48Å; Y198-T202 PolarHBondContact O-N 3.43Å; Y198-T202 VanDerWaalsContact O-N 3.13Å; Y198-T202 PolarHBondContact O-OG1 3.32Å
199I71.5Confident72.7Confident10 Ų1055.3 Ų55.35%0.05129%0.294CS..Hα-helixtrans-62.4-44.3176.7-69.4164.5000111.1F19 R23 L26 M195 N196 T197 T202 W203F19-I199 HydrophobicContact CD1-CG1 4.09Å; R23-I199 HydrophobicContact CB-CD1 3.97Å; R23-I199 HydrophobicContact CG-CD1 4.49Å; L26-I199 HydrophobicContact CD1-CD1 3.65Å; M195-I199 WeakPolarHBondContact O-CG1 3.41Å; M195-I199 PolarHBondContact O-N 2.78Å; M195-I199 VanDerWaalsContact O-N 3.07Å; N196-I199 PolarHBondContact O-N 3.5Å; T197-I199 PolarHBondContact O-N 3.13Å; I199-T202 PolarHBondContact O-N 3.26Å; I199-W203 VanDerWaalsContact CG2-CD1 3.49Å; I199-W203 PolarHBondContact O-N 2.88Å
200A72.5Confident71Confident58 Ų5853.7 Ų53.748%0.47928%0.28SS..Hα-helixtrans-63.3-42.5179.400000112.5N196 T197 Y198 T202 W203 H204N196-A200 WeakPolarHBondContact O-CB 3.31Å; N196-A200 PolarHBondContact O-N 3.42Å; T197-A200 PolarHBondContact O-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.26Å; A200-T202 PolarHBondContact O-N 3.03Å; A200-W203 PolarHBondContact O-N 3.5Å; A200-H204 WeakPolarHBondContact O-CB 3.31Å; A200-H204 PolarHBondContact O-N 2.93Å
201F72.6Confident69.3Low89 Ų8955.5 Ų55.539%0.3928%0.283SS..Hα-helixtrans-62.5-42.2176.4-84.4-61.5000112.1P136 W144 T197 Y198 H204 F205P136-F201 HydrophobicContact CG-CB 4.08Å; W144-F201 HydrophobicContact CH2-CB 4.47Å; W144-F201 HydrophobicContact CH2-CD2 4.08Å; W144-F201 HydrophobicContact CH2-CG 4.42Å; W144-F201 HydrophobicContact CZ3-CB 3.89Å; W144-F201 HydrophobicContact CZ3-CD2 4.15Å; W144-F201 HydrophobicContact CZ3-CG 4.3Å; T197-F201 HydrophobicContact CG2-CD2 3.56Å; T197-F201 HydrophobicContact CG2-CE2 3.34Å; T197-F201 WeakPolarHBondContact O-CD2 3.41Å; T197-F201 PolarHBondContact O-N 3.26Å; Y198-F201 PolarHBondContact O-N 3.48Å; F201-H204 PolarHBondContact O-N 2.88Å; F201-F205 WeakPolarHBondContact O-CB 3.46Å; F201-F205 PolarHBondContact O-N 3.16Å
202T69.9Low67.7Low1 Ų160.7 Ų60.71%0.00631%0.306CS..Hα-helixtrans-65.6-44.1176.5-59.60000112T15 F19 Y198 I199 A200 H204 F205 I206T15-T202 HydrophobicContact CG2-CG2 3.65Å; F19-T202 HydrophobicContact CB-CG2 4.02Å; F19-T202 HydrophobicContact CD1-CG2 4.15Å; F19-T202 WeakPolarHBondContact CD1-OG1 3.31Å; F19-T202 HydrophobicContact CD2-CG2 3.49Å; F19-T202 VanDerWaalsContact CD2-CG2 3.49Å; F19-T202 HydrophobicContact CE1-CG2 4.5Å; F19-T202 WeakPolarHBondContact CE1-OG1 3.47Å; F19-T202 HydrophobicContact CE2-CG2 3.87Å; F19-T202 WeakPolarHBondContact CE2-OG1 3.4Å; F19-T202 HydrophobicContact CG-CG2 3.61Å; F19-T202 HydrophobicContact CZ-CG2 4.36Å; F19-T202 WeakPolarHBondContact CZ-OG1 3.36Å; Y198-T202 PolarHBondContact O-N 3.43Å; Y198-T202 VanDerWaalsContact O-N 3.13Å; Y198-T202 PolarHBondContact O-OG1 3.32Å; I199-T202 PolarHBondContact O-N 3.26Å; A200-T202 PolarHBondContact O-N 3.03Å; T202-H204 VanDerWaalsContact C-N 3.31Å; T202-H204 PolarHBondContact O-N 2.97Å; T202-F205 WeakPolarHBondContact O-CA 3.09Å; T202-F205 WeakPolarHBondContact O-CB 3.39Å; T202-F205 PolarHBondContact O-N 3.06Å; T202-F205 VanDerWaalsContact O-N 3.1Å; T202-I206 HydrophobicContact CG2-CD1 3.64Å; T202-I206 HydrophobicContact CG2-CG1 4.33Å; T202-I206 WeakPolarHBondContact O-CG1 3.23Å; T202-I206 PolarHBondContact O-N 2.96Å
203W69.5Low65.8Low87 Ų8761.1 Ų61.133%0.3330%0.304SS..Hα-helixtrans-60.9-41.8175-83.8116.2000112.2R16 L20 I199 A200 F205 I206 G207R16-W203 HydrophobicContact CG-CH2 3.77Å; R16-W203 HydrophobicContact CG-CZ3 3.81Å; R16-W203 VanDerWaalsContact NE-CZ3 3.32Å; L20-W203 HydrophobicContact CD1-CZ2 4.36Å; I199-W203 VanDerWaalsContact CG2-CD1 3.49Å; I199-W203 PolarHBondContact O-N 2.88Å; A200-W203 PolarHBondContact O-N 3.5Å; W203-F205 VanDerWaalsContact C-N 3.27Å; W203-F205 PolarHBondContact O-N 3.15Å; W203-I206 PolarHBondContact O-N 3.5Å; W203-G207 PolarHBondContact O-N 3.46Å
204H67.3Low63.8Low95 Ų9560.7 Ų60.744%0.4430%0.302SS..Hα-helixtrans-65.5-34.7175.5-163.653.5000111.9R135 A200 F201 T202 K208R135-H204 PolarHBondContact NH2-O 3.03Å; A200-H204 WeakPolarHBondContact O-CB 3.31Å; A200-H204 PolarHBondContact O-N 2.93Å; F201-H204 PolarHBondContact O-N 2.88Å; T202-H204 VanDerWaalsContact C-N 3.31Å; T202-H204 PolarHBondContact O-N 2.97Å; H204-K208 WeakPolarHBondContact CE1-CE 3.39Å; H204-K208 PolarHBondContact CE1-NZ 3.36Å; H204-K208 VanDerWaalsContact CE1-NZ 3.34Å; H204-K208 WeakPolarHBondContact NE2-CE 3.35Å; H204-K208 PolarHBondContact NE2-NZ 3.16Å
205F64.9Low62.1Low2 Ų259.2 Ų59.21%0.00931%0.307CS..Hα-helixtrans-60.5-51.7175.1-179-92.1000111.3F11 L128 R135 M141 F201 T202 W203F11-F205 HydrophobicContact CE1-CE1 4.22Å; L128-F205 HydrophobicContact CD1-CZ 4.11Å; L128-F205 HydrophobicContact CD2-CE2 4.42Å; L128-F205 HydrophobicContact CD2-CZ 3.88Å; L128-F205 HydrophobicContact CG-CZ 4.48Å; R135-F205 HydrophobicContact CB-CD2 4.18Å; R135-F205 VanDerWaalsContact CD-CD2 3.4Å; R135-F205 HydrophobicContact CG-CD2 4.45Å; R135-F205 VanDerWaalsContact CZ-CA 3.49Å; R135-F205 PolarHBondContact NH1-O 3.03Å; R135-F205 PolarHBondContact NH2-O 3.07Å; M141-F205 HydrophobicContact CE-CB 3.67Å; M141-F205 HydrophobicContact CE-CD1 3.88Å; M141-F205 HydrophobicContact CE-CD2 3.42Å; M141-F205 VanDerWaalsContact CE-CD2 3.42Å; M141-F205 HydrophobicContact CE-CE1 4.38Å; M141-F205 HydrophobicContact CE-CE2 4.01Å; M141-F205 HydrophobicContact CE-CG 3.38Å; M141-F205 HydrophobicContact CE-CZ 4.45Å; M141-F205 HydrophobicContact SD-CD1 4.49Å; M141-F205 HydrophobicContact SD-CG 4.5Å; F201-F205 WeakPolarHBondContact O-CB 3.46Å; F201-F205 PolarHBondContact O-N 3.16Å; T202-F205 WeakPolarHBondContact O-CA 3.09Å; T202-F205 WeakPolarHBondContact O-CB 3.39Å; T202-F205 PolarHBondContact O-N 3.06Å; T202-F205 VanDerWaalsContact O-N 3.1Å; W203-F205 VanDerWaalsContact C-N 3.27Å; W203-F205 PolarHBondContact O-N 3.15Å
206I64.8Low60.3Low8 Ų862 Ų624%0.04133%0.331CS..Hα-helixtrans-72.9-40-175.4-64.8172.7000111.8I12 T15 R16 T202 W203 K208 Q209 N210I12-I206 HydrophobicContact CG2-CB 4.31Å; I12-I206 HydrophobicContact CG2-CG1 4.22Å; I12-I206 HydrophobicContact CG2-CG2 3.66Å; T15-I206 HydrophobicContact CG2-CD1 4.04Å; R16-I206 VanDerWaalsContact CA-CD1 3.4Å; R16-I206 HydrophobicContact CB-CD1 3.68Å; R16-I206 HydrophobicContact CB-CG2 4.38Å; R16-I206 HydrophobicContact CG-CD1 4.26Å; R16-I206 HydrophobicContact CG-CG2 4.38Å; R16-I206 VanDerWaalsContact N-CD1 3.32Å; T202-I206 HydrophobicContact CG2-CD1 3.64Å; T202-I206 HydrophobicContact CG2-CG1 4.33Å; T202-I206 WeakPolarHBondContact O-CG1 3.23Å; T202-I206 PolarHBondContact O-N 2.96Å; W203-I206 PolarHBondContact O-N 3.5Å; I206-K208 PolarHBondContact O-N 3.38Å; I206-Q209 PolarHBondContact O-N 2.82Å; I206-N210 PolarHBondContact O-N 3.25Å; I206-N210 VanDerWaalsContact O-N 3.17Å
207G56.9Low58.3Low33 Ų3365.8 Ų65.834%0.3435%0.35SS..Hα-helixtrans-59.4-49.1-176.400000113.6W203 Q209 N210W203-G207 PolarHBondContact O-N 3.46Å; G207-Q209 VanDerWaalsContact C-N 3.29Å; G207-Q209 PolarHBondContact O-N 3.38Å; G207-N210 WeakPolarHBondContact O-CB 3.46Å; G207-N210 PolarHBondContact O-N 3.07Å
208K54.5Low56.5Low112 Ų11269.3 Ų69.349%0.48737%0.371SS..Hα-helixtrans-73.6-19.3179.6-54.2-178155.8156.40114R135 H204 I206R135-K208 VanDerWaalsContact NH2-CD 3.3Å; R135-K208 VanDerWaalsContact NH2-CG 3.35Å; H204-K208 WeakPolarHBondContact CE1-CE 3.39Å; H204-K208 PolarHBondContact CE1-NZ 3.36Å; H204-K208 VanDerWaalsContact CE1-NZ 3.34Å; H204-K208 WeakPolarHBondContact NE2-CE 3.35Å; H204-K208 PolarHBondContact NE2-NZ 3.16Å; I206-K208 PolarHBondContact O-N 3.38Å
209Q53.5Low54.4Low9 Ų978.5 Ų78.54%0.04242%0.415CS..Hα-helixtrans-75-31.8172.8-77-159.8-41.300110.5E8 I12 I206 G207 D211 Q212 F213E8-Q209 PolarHBondContact OE1-NE2 3.09Å; I12-Q209 HydrophobicContact CD1-CB 3.96Å; I206-Q209 PolarHBondContact O-N 2.82Å; G207-Q209 VanDerWaalsContact C-N 3.29Å; G207-Q209 PolarHBondContact O-N 3.38Å; Q209-D211 VanDerWaalsContact C-N 3.32Å; Q209-D211 PolarHBondContact O-N 3.21Å; Q209-Q212 PolarHBondContact O-N 3.28Å; Q209-F213 HydrophobicContact CB-CD2 3.86Å; Q209-F213 HydrophobicContact CB-CE2 3.95Å; Q209-F213 HydrophobicContact CG-CE2 4.21Å; Q209-F213 WeakPolarHBondContact O-CB 3.38Å; Q209-F213 WeakPolarHBondContact O-CD2 3.46Å; Q209-F213 PolarHBondContact O-N 2.81Å
210N48.3Very low53.6Low75 Ų7582 Ų8240%0.40143%0.434SS..Hα-helixtrans-61.9-38.9176.6-154.633.9000112.6I206 G207 Q212 Q214I206-N210 PolarHBondContact O-N 3.25Å; I206-N210 VanDerWaalsContact O-N 3.17Å; G207-N210 WeakPolarHBondContact O-CB 3.46Å; G207-N210 PolarHBondContact O-N 3.07Å; N210-Q212 PolarHBondContact O-N 2.8Å; N210-Q214 WeakPolarHBondContact O-CB 3.47Å; N210-Q214 WeakPolarHBondContact O-CG 3.37Å; N210-Q214 PolarHBondContact O-N 3.26Å
211D47.4Very low52.6Low116 Ų11683.2 Ų83.262%0.6243%0.431SS*.Hα-helixtrans-68.2-35.3178.1-61.9-23000112.4Q209 S215Q209-D211 VanDerWaalsContact C-N 3.32Å; Q209-D211 PolarHBondContact O-N 3.21Å; D211-S215 PolarHBondContact O-OG 3Å
212Q47.9Very low51.5Low135 Ų13582.9 Ų82.963%0.63143%0.434SS*.Hα-helixtrans-83.4-30.1178.4-72.2-176.7-19.300113.3Q209 N210 S215 A216Q209-Q212 PolarHBondContact O-N 3.28Å; N210-Q212 PolarHBondContact O-N 2.8Å; Q212-S215 WeakPolarHBondContact CA-OG 3.39Å; Q212-S215 PolarHBondContact O-OG 3.17Å; Q212-A216 WeakPolarHBondContact O-CB 3.49Å; Q212-A216 PolarHBondContact O-N 3.33Å
213F40.4Very low50.4Low58 Ų5887.7 Ų87.725%0.25446%0.459SS..Hα-helixtrans-77.8-35.8176.4-82.3-67.5000112.8E8 I12 Q209 S215 A216 L217E8-F213 HydrophobicContact CB-CZ 4.36Å; E8-F213 HydrophobicContact CG-CE2 4.19Å; E8-F213 HydrophobicContact CG-CZ 3.81Å; E8-F213 WeakPolarHBondContact OE1-CZ 3.27Å; E8-F213 WeakPolarHBondContact OE2-CZ 3.44Å; I12-F213 HydrophobicContact CD1-CD2 3.79Å; I12-F213 HydrophobicContact CD1-CE2 3.6Å; I12-F213 HydrophobicContact CD1-CZ 4.5Å; Q209-F213 HydrophobicContact CB-CD2 3.86Å; Q209-F213 HydrophobicContact CB-CE2 3.95Å; Q209-F213 HydrophobicContact CG-CE2 4.21Å; Q209-F213 WeakPolarHBondContact O-CB 3.38Å; Q209-F213 WeakPolarHBondContact O-CD2 3.46Å; Q209-F213 PolarHBondContact O-N 2.81Å; F213-S215 VanDerWaalsContact C-N 3.28Å; F213-S215 PolarHBondContact O-N 3.5Å; F213-A216 PolarHBondContact O-N 3.21Å; F213-L217 PolarHBondContact O-N 3.46Å
214Q39.8Very low49.2Very low126 Ų12687.8 Ų87.859%0.58947%0.467SS*.Hα-helixtrans-64.5-34.5171.9-74.8-165.2-8.900111.9N210 A216 V218N210-Q214 WeakPolarHBondContact O-CB 3.47Å; N210-Q214 WeakPolarHBondContact O-CG 3.37Å; N210-Q214 PolarHBondContact O-N 3.26Å; Q214-A216 VanDerWaalsContact C-N 3.34Å; Q214-A216 PolarHBondContact O-N 3.5Å; Q214-V218 WeakPolarHBondContact O-CG2 3.42Å
215S45.1Very low48Very low72 Ų7287.3 Ų87.350%0.50347%0.469SS..Hα-helixtrans-72.1-23.4173.959.90000114.4D211 Q212 F213D211-S215 PolarHBondContact O-OG 3Å; Q212-S215 WeakPolarHBondContact CA-OG 3.39Å; Q212-S215 PolarHBondContact O-OG 3.17Å; F213-S215 VanDerWaalsContact C-N 3.28Å; F213-S215 PolarHBondContact O-N 3.5Å
216A40.6Very low46.8Very low61 Ų6193.4 Ų93.450%0.50450%0.501SS..Hα-helixtrans-93.2-10.1-178.400000114.2Q212 F213 Q214Q212-A216 WeakPolarHBondContact O-CB 3.49Å; Q212-A216 PolarHBondContact O-N 3.33Å; F213-A216 PolarHBondContact O-N 3.21Å; Q214-A216 VanDerWaalsContact C-N 3.34Å; Q214-A216 PolarHBondContact O-N 3.5Å
217L38.4Very low45.4Very low144 Ų14499.9 Ų99.975%0.75454%0.537SS*.SBendtrans-970.1174.8-84.5158000113.1F213F213-L217 PolarHBondContact O-N 3.46Å
218V42.2Very low44.4Very low129 Ų129105.5 Ų105.578%0.78255%0.553SS**  trans-109.19.5177.3-177.10000111.4Q214Q214-V218 WeakPolarHBondContact O-CG2 3.42Å
219Q34.9Very low43.5Very low229 Ų229104.9 Ų104.9100%1.0756%0.559SS**  trans-117.90168.9-69.5-174.6-12.100109.6

Retrieved 219 of 219 residues in 125.5 ms (Link to these results)

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